In [1]:
import os
import sys
import random
import time
from random import seed, randint
import argparse
import platform
from datetime import datetime
import imp
import numpy as np
import fileinput
from itertools import product
import pandas as pd
from scipy.interpolate import griddata
from scipy.interpolate import interp2d
import seaborn as sns
from os import listdir
import matplotlib.pyplot as plt
import seaborn as sns
from scipy.interpolate import griddata
import matplotlib as mpl
# sys.path.insert(0,'..')
# from notebookFunctions import *
# from .. import notebookFunctions
from Bio.PDB.Polypeptide import one_to_three
from Bio.PDB.Polypeptide import three_to_one
from Bio.PDB.PDBParser import PDBParser
from pyCodeLib import *
from small_script.myFunctions import *
from collections import defaultdict
%matplotlib inline
# plt.rcParams['figure.figsize'] = (10,6.180) #golden ratio
# %matplotlib notebook
%load_ext autoreload
%autoreload 2
In [2]:
plt.rcParams['figure.figsize'] = [16.18033, 10] #golden ratio
plt.rcParams['figure.facecolor'] = 'w'
plt.rcParams['figure.dpi'] = 100
In [4]:
data = pd.read_csv("/Users/weilu/Research/optimization/mediated_term/data_info_3.csv", index_col=0)
In [7]:
data = data.query("Problematic != 4").reset_index(drop=True)
In [18]:
b = data.query("Length < 100").query("Problematic == 0").sample(20, random_state=0).reset_index(drop=True)
b.to_csv("/Users/weilu/Research/server/may_2019/multiSeq_iteration/chosen_may24.csv")
In [23]:
c = data.query("Length < 100").query("Problematic == 0")
In [24]:
c.shape
Out[24]:
(427, 6)
In [25]:
c
Out[25]:
Name
FullName
SeqLength
Length
Seq
Problematic
1
1K1GA
1K1GA_137-224
88
88
SDKVMIPQDEYPEINFVGLLIGPRGNTLKNIEKECNAKIMIRGKGS...
0
5
2YTUA
2YTUA_22-106
85
85
PPNMTTNERRVIVPADPTLWTQEHVRQWLEWAIKEYSLMEIDTSFF...
0
7
2P3HA
2P3HA_8-102
95
95
TETSPDKWLIDGDTPLDEVERAIGYELPEGDYETISGLLFDHANAL...
0
8
1X4UA
1X4UA_8-78
71
71
RYPTNNFGNCTGCSATFSVLKKRRSCSNCGNSFCSRCCSFKVPKSS...
0
16
1UB9A
1UB9A_17-95
79
79
VRLGIMIFLLPRRKAPFSQIQKVLDLTPGNLDSHIRVLERNGLVKT...
0
18
4FGCE
4FGCE_61-141
81
81
PDFATIYISYIPDEKMVESKSLKLYLFSFRNHGDFHEDCMNIIMND...
0
19
3BZKA
3BZKA_495-559
65
65
VNAVGVDVNTASAALLARISGLNSTLAQNIVAHRDANGAFRTRDEL...
0
20
2M2KA
2M2KA_48-127
80
80
FKRYPKDALRLKRQGVGQVRFTLDRQGHVLAVTLVSSAGLPSLDRE...
0
22
3B39A
3B39A_369-424
56
56
SAFLFNSLMPQVDLSTPDGRARLSTLALPLISQVPGETLRIYLRQE...
0
26
5FWZA
5FWZA_98-186
89
89
DIEMIATTMSVPRQVEVTEKFKSLVTAHNGKDEEMKDVAQDMKNYM...
0
28
5J3BB
5J3BB_5-62
58
58
STNDFKPGLKVMLDSNPCSIMENEYVKPGKGQAFNRVKLRNLKTGK...
0
29
3BYRA
3BYRA_7-86
80
80
LPPEEVERIRAFLQERIRGRALEVHDLKTRRAGPRSFLEFHLVVRG...
0
30
4BETB
4BETB_392-449
58
58
GKTPAHLAVISGNMAMLDELIAKKADLSLQDYDGKTALHYAAECGN...
0
31
2KZVA
2KZVA_2-75
74
74
PHKEKHPLQDMFTSAIEAVARDSGWAELSAVGSYLAKNDPSFDPRN...
0
32
1JERA
1JERA_13-99
87
87
WSVPSSPNFYSQWAAGKTFRVGDSLQFNFPANAHNVHEMETKQSFD...
0
53
2EYQB
2EYQB_1006-1100
95
95
LRMPSLLPDDFIPDVNTRLSFYKRIASAKTENELEEIKVELIDRFG...
0
55
1MB1A
1MB1A_19-99
81
81
IHSTGSIMKRKKDDWVNATHILKAANFAKAKRTRILEKEVLKETHE...
0
56
1HFET
1HFET_40-95
56
56
KDYMLDRINGVYGADAKFPVRASQDNTQVKALYKSYLEKPLGHKSH...
0
64
4O8BA
4O8BA_1-74
74
74
MLGTRLKAARIRAGYSQKQLGMLVGMDEFSASARMNQYERERHSPN...
0
69
2KVZA
2KVZA_8-70
63
63
QVTVNYLDENNTSIAPSLYLSGLFNEAYNVPMKKIKGYTLLKYDSE...
0
71
4HR7I
4HR7I_81-155
75
75
HIVRSPMVGTFYRTPSPDAKAFIEVGQKVNVGDTLCIVEAMKMMNQ...
0
73
4Q25B
4Q25B_26-114
89
89
LLAMGGLVEKQVNDAVNALIDADSGLAQQVREIDDQINQMERNIDE...
0
74
5JM0A
5JM0A_565-646
82
82
EFHRGTYTSQAQTKKLMRLSEIKLHDLEWIAAKTSVLYPDSYKYPS...
0
82
5K0YZ
5K0YZ_2-60
59
59
GRMHAPGKGLSQSALPYRRSVPTWLKLTSDDVKEQIYKLAKKGLTP...
0
83
2JMWA
2JMWA_84-166
83
83
AETWVQDETRSLIMFRRGMDGLFNTSKSNKHLWEQISSKMREKGFD...
0
95
5LWBA
5LWBA_692-744
53
53
CVKCKTTCFMSAISCSCKPGLLVCLHHVKELCSCPPYKYKLRYRYT...
0
109
3J16F
3J16F_97-178
82
82
FPINVNIVEKDGAKFIEVRNFLGDKKIRNVPVRDGVTIEFSTNVKD...
0
112
3G5OD
3G5OD_8-81
74
74
MRILPISTIKGKLNEFVDAVSSTQDQITITKNGAPAAVLVGADEWE...
0
122
5JA2B
5JA2B_1-53
53
53
MTSVFDRDDIQFQVVVNHEEQYSIWPEYKEIPQGWRAAGKSGLKKD...
0
126
5TJHF
5TJHF_214-309
96
96
WSSELSKLAANAFLAQRISSINSISALCEATGADVEEVATAIGMDQ...
0
...
...
...
...
...
...
...
1690
3B0YA
3B0YA_3-74
72
72
NQELARIFEEIGLMSEFLGDNPFRVRAYHQAARTLYDLDTPIEEIA...
0
1694
4P4PA
4P4PA_97-150
54
54
QELTQVHGFGPRAAAALFDREGIFTVDELLQKADSIPSLTDQQRVG...
0
1702
2EQZA
2EQZA_13-86
74
74
PKKPKGKMSAYAFFVQTCREEHKKKNPEVPVNFAEFSKKCSERWKT...
0
1705
4P5OC
4P5OC_706-768
63
63
DRKLLIQAAIVRIMRMRKVLKHQQLLGEVLTQLSSRFKPRVPVIKK...
0
1707
4NNJC
4NNJC_261-330
70
70
PRKISFKSLKQQLSNPEFVFSDFAKFDRAAQLHLGFQALHQFAVRH...
0
1715
4WILB
4WILB_6-99
94
94
QWLTAEERDQLIPGLKAAGWSELSERDAIYKEFSFKNFNQAFGFMT...
0
1716
3JU0A
3JU0A_3-88
86
86
LTDSKVKNAKSLEKEYKLTDGFGMHLLVHPNGSKYWRLSYRFEKKQ...
0
1717
5K0Yn
5K0Yn_43-128
86
86
RRLSRGLRRKQHSLLKRLRKAKKEAPPMEKPEVVKTHLRDMIILPE...
0
1719
3LAJF
3LAJF_16-86
71
71
ANRAGRQARIVAILSSAQVRSQNELAALLAAEGIEVTQATLSRDLE...
0
1725
5GAHH
5GAHH_63-148
86
86
AAANARAEKINALETVTIASKAGDEGKLFGSIGTRDIADAVTAAGV...
0
1727
4QCID
4QCID_16-99
84
84
CKTRTEVFEISRRLIDRTNANFLVWPPCVEVQRCSGCCNNRNVQCR...
0
1728
4HDVA
4HDVA_5-87
83
83
EFYTKVYDAVCEIPYGKVSTYGEIARYVGMPSYARQVGQAMKHLHP...
0
1730
3M21F
3M21F_1-63
63
63
PFINIKLVPENGGPTNEQKQQLIEGVSDLMVKVLNKNKASIVVIID...
0
1734
4WV4B
4WV4B_29-106
78
78
YHLARRRTLQVVVSSLLTEAGFESAEKASVETLTEMLQSYISEIGR...
0
1736
2KOUA
2KOUA_6-95
90
90
SISMMYKYCSRLPHDEFFQPKPEFQFKPVDEFGGTICRITLPANAP...
0
1737
1SC5A
1SC5A_14-86
73
73
LILKYLPLVKAIATNIKKHLPEDVDIRDLISYGVIGLIKAVDNLST...
0
1741
1DE2A
1DE2A_2-76
75
75
FKVYGYDSNIHKCVYCDNAKRLLTVKKQPFEFINIMPEKGVFDDEK...
0
1749
4QIWJ
4QIWJ_522-585
64
64
VYLNGVLIGTVEDGRKLVERIRADRRAGKISDVINVALYEDEEVKE...
0
1754
3MJFA
3MJFA_331-422
92
92
SLGVVLAAGGYPADYRQGDVIHGLPQQEVKDGKVFHAGTKLNGNHE...
0
1755
4QQ0A
4QQ0A_686-757
72
72
NKVIIESQVMKALAGHLVQSGFANVHVSFTNGEAVLTGYINNKDAD...
0
1764
5CEGA
5CEGA_3-87
85
85
NVEKMSVAVTPQQAAVMREAVEAGEYATASEIVREAVRDWLAKREL...
0
1767
3CLUD
3CLUD_197-281
85
85
IDITTVDFIMSIGRGIGEETNVEQFRELADEAGATLCCSKPIADAG...
0
1773
5GGPB
5GGPB_129-218
90
90
RGIHVIVLNQATGHVMAKRVFDTYSPHEDEAMVLFLNMVAPGRVLI...
0
1780
1W7CA
1W7CA_64-151
88
88
LAKEEVQEVLDLLHSTYNITEVTKADFFSNYVLWIETLKPNKTEAL...
0
1785
1IXRB
1IXRB_71-130
60
60
FELLLSVSGVGPKVALALLSALPPRLLARALLEGDARLLTSASGVG...
0
1795
4A6EA
4A6EA_11-100
90
90
LLNDYANGFMVSQVLFAACELGVFDLLAEAPGPLDVAAVAAGVRAS...
0
1798
5E27B
5E27B_279-355
77
77
VIDGSIWDAIAGCEAGGNWAINTGNGYYGGVQFDQGTWEANGGLRY...
0
1803
4HQEB
4HQEB_14-107
94
94
ILGRSWNGLIINYLSRCNDCSAHFSDMKRDLKTITPRALSLKLSEL...
0
1804
4PCQD
4PCQD_98-172
75
75
ISVNLQSSARGKIRSFIQQIRRKRQVMDVYFLAGADDFILHVAARD...
0
1807
4O1PD
4O1PD_151-207
57
57
MHRKTKQDQERIRKGGATALMDAAEKGHVGVVTILLHAMKAEVDAR...
0
427 rows × 6 columns
In [22]:
b["FullName"].tolist()
Out[22]:
['4TVYB_248-332',
'5LBQA_178-264',
'3C2VA_26-117',
'2HLQA_33-127',
'5J3BB_5-62',
'4ZLHB_190-257',
'3O8ZA_241-293',
'4ZRJA_226-315',
'2IX1A_24-81',
'4UR3F_328-393',
'4Q25B_26-114',
'2AU3A_1-97',
'5JR6B_705-772',
'1W7CA_64-151',
'2AZEB_206-299',
'5LJOA_175-263',
'4NTYB_6-59',
'2WKGA_387-484',
'3ZTGB_253-327',
'4L48C_2-99']
In [13]:
a = pd.read_csv("/Users/weilu/Research/server/may_2019/multiSeq_iteration/chosen_may24.csv", index_col=0)
for i, line in a.iterrows():
protein = line.Name
print(protein+"!")
In [17]:
4TVYB!
5LBQA!
3C2VA!
2HLQA!
5J3BB!
4ZLHB!
3O8ZA!
4ZRJA!
2IX1A!
4UR3F!
In [4]:
a = 1 if 4 <= 2 else 2
In [5]:
a
Out[5]:
2
In [9]:
with open("/Users/weilu/Research/server/may_2019/openMM_mass/testRun/1r69/movie.pdb", "r") as f:
a = f.readlines()
In [17]:
n = len(a)
for i in range(n-1,-1,-1):
if len(a[i]) >= 5 and a[i][:5] == "MODEL":
print(i)
break
36729
In [18]:
len(a)
Out[18]:
37101
In [21]:
with open("/Users/weilu/Research/server/may_2019/openMM_mass/testRun/1r69/lastFrame.pdb", "w") as out:
out.write("".join(a[i:]))
In [12]:
a
Out[12]:
['MODEL 1\n',
'ATOM 1 CA SER A 1 31.443 13.314 -5.912 1.00 0.00 C \n',
'ATOM 2 C SER A 1 31.844 14.288 -4.773 1.00 0.00 C \n',
'ATOM 3 O SER A 1 31.725 15.426 -4.865 1.00 0.00 O \n',
'ATOM 4 CB SER A 1 31.188 13.947 -7.258 1.00 0.00 B \n',
'ATOM 5 N ILE A 2 32.320 13.803 -3.709 1.00 0.00 N \n',
'ATOM 6 H ILE A 2 32.418 12.886 -3.635 1.00 0.00 H \n',
'ATOM 7 CA ILE A 2 32.764 14.569 -2.502 1.00 0.00 C \n',
'ATOM 8 C ILE A 2 33.678 15.627 -3.014 1.00 0.00 C \n',
'ATOM 9 O ILE A 2 33.500 16.624 -2.749 1.00 0.00 O \n',
'ATOM 10 CB ILE A 2 33.995 13.459 -2.051 1.00 0.00 B \n',
'ATOM 11 N SER A 3 34.654 15.378 -3.749 1.00 0.00 N \n',
'ATOM 12 H SER A 3 34.799 14.574 -3.963 1.00 0.00 H \n',
'ATOM 13 CA SER A 3 35.646 16.263 -4.341 1.00 0.00 C \n',
'ATOM 14 C SER A 3 35.513 17.837 -3.895 1.00 0.00 C \n',
'ATOM 15 O SER A 3 36.195 18.716 -4.408 1.00 0.00 O \n',
'ATOM 16 CB SER A 3 35.078 16.468 -5.792 1.00 0.00 B \n',
'ATOM 17 N SER A 4 34.622 18.156 -2.930 1.00 0.00 N \n',
'ATOM 18 H SER A 4 34.074 17.447 -2.517 1.00 0.00 H \n',
'ATOM 19 CA SER A 4 34.334 19.604 -2.353 1.00 0.00 C \n',
'ATOM 20 C SER A 4 34.169 19.323 -0.809 1.00 0.00 C \n',
'ATOM 21 O SER A 4 33.286 18.603 -0.385 1.00 0.00 O \n',
'ATOM 22 CB SER A 4 32.835 20.070 -2.634 1.00 0.00 B \n',
'ATOM 23 N ARG A 5 35.042 19.911 0.007 1.00 0.00 N \n',
'ATOM 24 H ARG A 5 35.756 20.493 -0.335 1.00 0.00 H \n',
'ATOM 25 CA ARG A 5 35.062 19.775 1.525 1.00 0.00 C \n',
'ATOM 26 C ARG A 5 36.205 18.805 1.840 1.00 0.00 C \n',
'ATOM 27 O ARG A 5 36.766 18.679 3.000 1.00 0.00 O \n',
'ATOM 28 CB ARG A 5 33.878 19.458 2.272 1.00 0.00 B \n',
'ATOM 29 N VAL A 6 36.526 18.131 0.776 1.00 0.00 N \n',
'ATOM 30 H VAL A 6 36.074 18.234 -0.159 1.00 0.00 H \n',
'ATOM 31 CA VAL A 6 37.593 17.146 0.851 1.00 0.00 C \n',
'ATOM 32 C VAL A 6 38.757 17.455 -0.304 1.00 0.00 C \n',
'ATOM 33 O VAL A 6 38.501 17.898 -1.425 1.00 0.00 O \n',
'ATOM 34 CB VAL A 6 37.044 15.825 0.476 1.00 0.00 B \n',
'ATOM 35 N LYS A 7 40.033 17.207 0.006 1.00 0.00 N \n',
'ATOM 36 H LYS A 7 40.241 16.850 0.910 1.00 0.00 H \n',
'ATOM 37 CA LYS A 7 41.301 17.431 -0.954 1.00 0.00 C \n',
'ATOM 38 C LYS A 7 40.971 18.864 -1.445 1.00 0.00 C \n',
'ATOM 39 O LYS A 7 41.816 19.602 -2.063 1.00 0.00 O \n',
'ATOM 40 CB LYS A 7 41.496 16.581 -2.043 1.00 0.00 B \n',
'ATOM 41 N SER A 8 39.725 19.226 -1.152 1.00 0.00 N \n',
'ATOM 42 H SER A 8 39.046 18.631 -0.653 1.00 0.00 H \n',
'ATOM 43 CA SER A 8 39.195 20.559 -1.529 1.00 0.00 C \n',
'ATOM 44 C SER A 8 39.616 21.440 -0.287 1.00 0.00 C \n',
'ATOM 45 O SER A 8 39.752 22.635 -0.354 1.00 0.00 O \n',
'ATOM 46 CB SER A 8 37.813 20.498 -1.942 1.00 0.00 B \n',
'ATOM 47 N LYS A 9 39.815 20.813 0.838 1.00 0.00 N \n',
'ATOM 48 H LYS A 9 39.707 19.850 0.893 1.00 0.00 H \n',
'ATOM 49 CA LYS A 9 40.223 21.470 2.149 1.00 0.00 C \n',
'ATOM 50 C LYS A 9 41.454 22.286 1.687 1.00 0.00 C \n',
'ATOM 51 O LYS A 9 42.120 22.967 2.401 1.00 0.00 O \n',
'ATOM 52 CB LYS A 9 40.650 20.175 3.027 1.00 0.00 B \n',
'ATOM 53 N ARG A 10 41.730 22.195 0.478 1.00 0.00 N \n',
'ATOM 54 H ARG A 10 41.195 21.647 -0.098 1.00 0.00 H \n',
'ATOM 55 CA ARG A 10 42.867 22.896 -0.160 1.00 0.00 C \n',
'ATOM 56 C ARG A 10 42.282 24.046 -0.790 1.00 0.00 C \n',
'ATOM 57 O ARG A 10 42.761 24.474 -1.871 1.00 0.00 O \n',
'ATOM 58 CB ARG A 10 43.375 21.687 -1.055 1.00 0.00 B \n',
'ATOM 59 N ILE A 11 41.239 24.524 -0.080 1.00 0.00 N \n',
'ATOM 60 H ILE A 11 40.855 24.179 0.792 1.00 0.00 H \n',
'ATOM 61 CA ILE A 11 40.523 25.628 -0.501 1.00 0.00 C \n',
'ATOM 62 C ILE A 11 41.575 26.880 -0.292 1.00 0.00 C \n',
'ATOM 63 O ILE A 11 41.759 27.815 -1.007 1.00 0.00 O \n',
'ATOM 64 CB ILE A 11 39.325 25.976 0.498 1.00 0.00 B \n',
'ATOM 65 N GLN A 12 42.252 26.865 0.703 1.00 0.00 N \n',
'ATOM 66 H GLN A 12 42.106 26.112 1.279 1.00 0.00 H \n',
'ATOM 67 CA GLN A 12 43.308 27.966 1.076 1.00 0.00 C \n',
'ATOM 68 C GLN A 12 44.641 27.664 1.592 1.00 0.00 C \n',
'ATOM 69 O GLN A 12 45.559 28.419 1.262 1.00 0.00 O \n',
'ATOM 70 CB GLN A 12 42.625 28.876 2.238 1.00 0.00 B \n',
'ATOM 71 N LEU A 13 44.713 26.544 2.404 1.00 0.00 N \n',
'ATOM 72 H LEU A 13 43.974 25.936 2.670 1.00 0.00 H \n',
'ATOM 73 CA LEU A 13 45.900 26.063 3.014 1.00 0.00 C \n',
'ATOM 74 C LEU A 13 46.737 25.729 1.764 1.00 0.00 C \n',
'ATOM 75 O LEU A 13 47.064 24.468 1.253 1.00 0.00 O \n',
'ATOM 76 CB LEU A 13 45.793 24.949 4.085 1.00 0.00 B \n',
'ATOM 77 N GLY A 14 47.069 26.894 1.296 1.00 0.00 N \n',
'ATOM 78 H GLY A 14 46.807 27.912 1.708 1.00 0.00 H \n',
'ATOM 79 CA GLY A 14 47.868 26.821 0.104 1.00 0.00 C \n',
'ATOM 80 C GLY A 14 49.157 27.395 0.562 1.00 0.00 C \n',
'ATOM 81 O GLY A 14 49.218 28.272 1.300 1.00 0.00 O \n',
'ATOM 82 N LEU A 15 50.177 26.874 0.102 1.00 0.00 N \n',
'ATOM 83 H LEU A 15 50.130 26.168 -0.493 1.00 0.00 H \n',
'ATOM 84 CA LEU A 15 51.507 27.280 0.418 1.00 0.00 C \n',
'ATOM 85 C LEU A 15 52.180 28.410 -0.387 1.00 0.00 C \n',
'ATOM 86 O LEU A 15 52.665 28.208 -1.473 1.00 0.00 O \n',
'ATOM 87 CB LEU A 15 52.681 26.261 0.651 1.00 0.00 B \n',
'ATOM 88 N ASN A 16 52.193 29.597 0.178 1.00 0.00 N \n',
'ATOM 89 H ASN A 16 51.803 29.762 1.054 1.00 0.00 H \n',
'ATOM 90 CA ASN A 16 52.787 30.819 -0.424 1.00 0.00 C \n',
'ATOM 91 C ASN A 16 53.852 31.679 0.361 1.00 0.00 C \n',
'ATOM 92 O ASN A 16 53.643 32.854 0.944 1.00 0.00 O \n',
'ATOM 93 CB ASN A 16 51.255 31.716 -0.298 1.00 0.00 B \n',
'ATOM 94 N GLN A 17 54.992 31.059 0.355 1.00 0.00 N \n',
'ATOM 95 H GLN A 17 55.164 30.113 -0.115 1.00 0.00 H \n',
'ATOM 96 CA GLN A 17 56.147 31.699 1.047 1.00 0.00 C \n',
'ATOM 97 C GLN A 17 57.354 32.168 0.136 1.00 0.00 C \n',
'ATOM 98 O GLN A 17 57.995 33.243 0.266 1.00 0.00 O \n',
'ATOM 99 CB GLN A 17 57.224 30.672 1.889 1.00 0.00 B \n',
'ATOM 100 N ALA A 18 57.639 31.333 -0.782 1.00 0.00 N \n',
'ATOM 101 H ALA A 18 57.124 30.467 -0.887 1.00 0.00 H \n',
'ATOM 102 CA ALA A 18 58.756 31.586 -1.761 1.00 0.00 C \n',
'ATOM 103 C ALA A 18 58.404 32.857 -2.663 1.00 0.00 C \n',
'ATOM 104 O ALA A 18 58.844 33.076 -3.899 1.00 0.00 O \n',
'ATOM 105 CB ALA A 18 59.268 30.701 -2.723 1.00 0.00 B \n',
'ATOM 106 N GLU A 19 57.605 33.678 -2.008 1.00 0.00 N \n',
'ATOM 107 H GLU A 19 57.253 33.502 -1.012 1.00 0.00 H \n',
'ATOM 108 CA GLU A 19 57.141 34.954 -2.678 1.00 0.00 C \n',
'ATOM 109 C GLU A 19 57.784 36.298 -2.546 1.00 0.00 C \n',
'ATOM 110 O GLU A 19 57.154 37.213 -2.215 1.00 0.00 O \n',
'ATOM 111 CB GLU A 19 55.511 34.826 -2.176 1.00 0.00 B \n',
'ATOM 112 N LEU A 20 59.050 36.385 -2.814 1.00 0.00 N \n',
'ATOM 113 H LEU A 20 59.561 35.649 -3.080 1.00 0.00 H \n',
'ATOM 114 CA LEU A 20 59.857 37.585 -2.748 1.00 0.00 C \n',
'ATOM 115 C LEU A 20 61.318 37.433 -3.002 1.00 0.00 C \n',
'ATOM 116 O LEU A 20 61.966 36.633 -2.237 1.00 0.00 O \n',
'ATOM 117 CB LEU A 20 59.994 38.333 -1.276 1.00 0.00 B \n',
'ATOM 118 N ALA A 21 61.809 38.222 -4.095 1.00 0.00 N \n',
'ATOM 119 H ALA A 21 61.288 38.868 -4.712 1.00 0.00 H \n',
'ATOM 120 CA ALA A 21 63.188 38.236 -4.528 1.00 0.00 C \n',
'ATOM 121 C ALA A 21 64.334 38.621 -3.683 1.00 0.00 C \n',
'ATOM 122 O ALA A 21 65.343 37.843 -3.607 1.00 0.00 O \n',
'ATOM 123 CB ALA A 21 62.954 39.466 -5.767 1.00 0.00 B \n',
'ATOM 124 N GLN A 22 64.144 39.839 -3.059 1.00 0.00 N \n',
'ATOM 125 H GLN A 22 63.333 40.467 -3.120 1.00 0.00 H \n',
'ATOM 126 CA GLN A 22 65.116 40.410 -2.195 1.00 0.00 C \n',
'ATOM 127 C GLN A 22 65.889 41.613 -2.612 1.00 0.00 C \n',
'ATOM 128 O GLN A 22 65.390 42.404 -3.432 1.00 0.00 O \n',
'ATOM 129 CB GLN A 22 65.945 39.177 -1.894 1.00 0.00 B \n',
'ATOM 130 N LYS A 23 67.114 41.723 -2.023 1.00 0.00 N \n',
'ATOM 131 H LYS A 23 67.519 41.087 -1.362 1.00 0.00 H \n',
'ATOM 132 CA LYS A 23 68.027 42.805 -2.279 1.00 0.00 C \n',
'ATOM 133 C LYS A 23 69.388 42.571 -2.772 1.00 0.00 C \n',
'ATOM 134 O LYS A 23 70.137 41.462 -2.553 1.00 0.00 O \n',
'ATOM 135 CB LYS A 23 68.043 43.552 -0.925 1.00 0.00 B \n',
'ATOM 136 N VAL A 24 69.678 43.648 -3.440 1.00 0.00 N \n',
'ATOM 137 H VAL A 24 69.077 44.544 -3.617 1.00 0.00 H \n',
'ATOM 138 CA VAL A 24 70.931 43.646 -4.003 1.00 0.00 C \n',
'ATOM 139 C VAL A 24 72.290 43.632 -3.172 1.00 0.00 C \n',
'ATOM 140 O VAL A 24 73.297 43.168 -3.560 1.00 0.00 O \n',
'ATOM 141 CB VAL A 24 71.170 44.811 -5.140 1.00 0.00 B \n',
'ATOM 142 N GLY A 25 72.284 44.153 -2.027 1.00 0.00 N \n',
'ATOM 143 H GLY A 25 71.474 44.529 -1.714 1.00 0.00 H \n',
'ATOM 144 CA GLY A 25 73.478 44.238 -1.076 1.00 0.00 C \n',
'ATOM 145 C GLY A 25 74.014 45.758 -1.376 1.00 0.00 C \n',
'ATOM 146 O GLY A 25 74.396 46.114 -2.443 1.00 0.00 O \n',
'ATOM 147 N THR A 26 74.032 46.633 -0.405 1.00 0.00 N \n',
'ATOM 148 H THR A 26 73.727 46.348 0.456 1.00 0.00 H \n',
'ATOM 149 CA THR A 26 74.505 48.139 -0.484 1.00 0.00 C \n',
'ATOM 150 C THR A 26 76.003 47.892 -0.618 1.00 0.00 C \n',
'ATOM 151 O THR A 26 76.779 47.600 0.448 1.00 0.00 O \n',
'ATOM 152 CB THR A 26 74.093 48.615 0.854 1.00 0.00 B \n',
'ATOM 153 N THR A 27 76.378 48.021 -1.953 1.00 0.00 N \n',
'ATOM 154 H THR A 27 75.755 48.259 -2.812 1.00 0.00 H \n',
'ATOM 155 CA THR A 27 77.767 47.827 -2.326 1.00 0.00 C \n',
'ATOM 156 C THR A 27 78.103 49.291 -2.820 1.00 0.00 C \n',
'ATOM 157 O THR A 27 78.194 49.541 -3.883 1.00 0.00 O \n',
'ATOM 158 CB THR A 27 78.406 46.867 -3.144 1.00 0.00 B \n',
'ATOM 159 N GLN A 28 78.284 50.241 -2.019 1.00 0.00 N \n',
'ATOM 160 H GLN A 28 78.214 50.041 -1.162 1.00 0.00 H \n',
'ATOM 161 CA GLN A 28 78.612 51.712 -2.302 1.00 0.00 C \n',
'ATOM 162 C GLN A 28 80.034 51.885 -1.832 1.00 0.00 C \n',
'ATOM 163 O GLN A 28 80.547 51.272 -0.748 1.00 0.00 O \n',
'ATOM 164 CB GLN A 28 77.437 52.437 -1.831 1.00 0.00 B \n',
'ATOM 165 N GLN A 29 80.646 52.737 -2.679 1.00 0.00 N \n',
'ATOM 166 H GLN A 29 80.235 53.234 -3.554 1.00 0.00 H \n',
'ATOM 167 CA GLN A 29 82.013 53.050 -2.426 1.00 0.00 C \n',
'ATOM 168 C GLN A 29 82.300 54.647 -2.184 1.00 0.00 C \n',
'ATOM 169 O GLN A 29 81.938 55.397 -1.115 1.00 0.00 O \n',
'ATOM 170 CB GLN A 29 82.872 52.519 -3.661 1.00 0.00 B \n',
'ATOM 171 N SER A 30 82.959 55.135 -3.207 1.00 0.00 N \n',
'ATOM 172 H SER A 30 83.254 54.531 -4.069 1.00 0.00 H \n',
'ATOM 173 CA SER A 30 83.334 56.634 -3.189 1.00 0.00 C \n',
'ATOM 174 C SER A 30 84.756 56.718 -3.803 1.00 0.00 C \n',
'ATOM 175 O SER A 30 85.765 56.960 -3.140 1.00 0.00 O \n',
'ATOM 176 CB SER A 30 83.596 57.096 -1.680 1.00 0.00 B \n',
'ATOM 177 N ILE A 31 84.802 56.512 -5.081 1.00 0.00 N \n',
'ATOM 178 H ILE A 31 83.992 56.319 -5.616 1.00 0.00 H \n',
'ATOM 179 CA ILE A 31 86.062 56.545 -5.867 1.00 0.00 C \n',
'ATOM 180 C ILE A 31 86.390 58.003 -5.948 1.00 0.00 C \n',
'ATOM 181 O ILE A 31 85.934 58.619 -6.824 1.00 0.00 O \n',
'ATOM 182 CB ILE A 31 86.123 55.493 -6.940 1.00 0.00 B \n',
'ATOM 183 N GLU A 32 87.193 58.527 -5.012 1.00 0.00 N \n',
'ATOM 184 H GLU A 32 87.564 58.033 -4.305 1.00 0.00 H \n',
'ATOM 185 CA GLU A 32 87.632 59.911 -4.905 1.00 0.00 C \n',
'ATOM 186 C GLU A 32 89.172 59.920 -4.447 1.00 0.00 C \n',
'ATOM 187 O GLU A 32 89.812 59.228 -3.451 1.00 0.00 O \n',
'ATOM 188 CB GLU A 32 86.853 60.640 -3.817 1.00 0.00 B \n',
'ATOM 189 N GLN A 33 89.740 60.722 -5.202 1.00 0.00 N \n',
'ATOM 190 H GLN A 33 89.227 61.282 -6.006 1.00 0.00 H \n',
'ATOM 191 CA GLN A 33 91.204 60.880 -4.942 1.00 0.00 C \n',
'ATOM 192 C GLN A 33 91.675 61.709 -3.740 1.00 0.00 C \n',
'ATOM 193 O GLN A 33 92.322 61.185 -2.909 1.00 0.00 O \n',
'ATOM 194 CB GLN A 33 91.865 61.669 -6.208 1.00 0.00 B \n',
'ATOM 195 N LEU A 34 91.333 63.010 -3.680 1.00 0.00 N \n',
'ATOM 196 H LEU A 34 90.815 63.434 -4.350 1.00 0.00 H \n',
'ATOM 197 CA LEU A 34 91.680 63.987 -2.608 1.00 0.00 C \n',
'ATOM 198 C LEU A 34 92.768 64.972 -3.061 1.00 0.00 C \n',
'ATOM 199 O LEU A 34 93.599 65.633 -2.224 1.00 0.00 O \n',
'ATOM 200 CB LEU A 34 92.248 63.333 -1.454 1.00 0.00 B \n',
'ATOM 201 N GLU A 35 92.736 65.046 -4.404 1.00 0.00 N \n',
'ATOM 202 H GLU A 35 92.070 64.514 -5.079 1.00 0.00 H \n',
'ATOM 203 CA GLU A 35 93.687 65.926 -5.060 1.00 0.00 C \n',
'ATOM 204 C GLU A 35 94.369 65.338 -6.221 1.00 0.00 C \n',
'ATOM 205 O GLU A 35 93.717 65.228 -7.280 1.00 0.00 O \n',
'ATOM 206 CB GLU A 35 94.351 66.473 -3.970 1.00 0.00 B \n',
'ATOM 207 N ASN A 36 95.695 64.970 -5.986 1.00 0.00 N \n',
'ATOM 208 H ASN A 36 96.225 65.061 -5.132 1.00 0.00 H \n',
'ATOM 209 CA ASN A 36 96.547 64.379 -6.964 1.00 0.00 C \n',
'ATOM 210 C ASN A 36 97.859 65.203 -6.896 1.00 0.00 C \n',
'ATOM 211 O ASN A 36 98.189 65.723 -5.913 1.00 0.00 O \n',
'ATOM 212 CB ASN A 36 95.958 64.550 -8.440 1.00 0.00 B \n',
'ATOM 213 N GLY A 37 98.591 65.302 -7.966 1.00 0.00 N \n',
'ATOM 214 H GLY A 37 98.329 64.885 -8.759 1.00 0.00 H \n',
'ATOM 215 CA GLY A 37 99.885 66.046 -8.109 1.00 0.00 C \n',
'ATOM 216 C GLY A 37 99.784 67.099 -7.014 1.00 0.00 C \n',
'ATOM 217 O GLY A 37 100.713 67.831 -6.748 1.00 0.00 O \n',
'ATOM 218 N LYS A 38 98.636 67.150 -6.395 1.00 0.00 N \n',
'ATOM 219 H LYS A 38 97.890 66.563 -6.610 1.00 0.00 H \n',
'ATOM 220 CA LYS A 38 98.324 68.087 -5.311 1.00 0.00 C \n',
'ATOM 221 C LYS A 38 98.332 69.602 -5.283 1.00 0.00 C \n',
'ATOM 222 O LYS A 38 97.541 70.251 -5.780 1.00 0.00 O \n',
'ATOM 223 CB LYS A 38 99.378 67.564 -3.896 1.00 0.00 B \n',
'ATOM 224 N THR A 39 99.247 70.140 -4.689 1.00 0.00 N \n',
'ATOM 225 H THR A 39 99.889 69.620 -4.288 1.00 0.00 H \n',
'ATOM 226 CA THR A 39 99.426 71.576 -4.550 1.00 0.00 C \n',
'ATOM 227 C THR A 39 100.470 72.187 -5.409 1.00 0.00 C \n',
'ATOM 228 O THR A 39 101.557 72.583 -4.889 1.00 0.00 O \n',
'ATOM 229 CB THR A 39 99.810 71.865 -2.898 1.00 0.00 B \n',
'ATOM 230 N LYS A 40 100.107 72.250 -6.729 1.00 0.00 N \n',
'ATOM 231 H LYS A 40 99.234 71.933 -7.149 1.00 0.00 H \n',
'ATOM 232 CA LYS A 40 100.956 72.797 -7.738 1.00 0.00 C \n',
'ATOM 233 C LYS A 40 100.864 74.364 -7.620 1.00 0.00 C \n',
'ATOM 234 O LYS A 40 99.815 75.078 -7.938 1.00 0.00 O \n',
'ATOM 235 CB LYS A 40 100.601 72.151 -9.020 1.00 0.00 B \n',
'ATOM 236 N ARG A 41 101.992 74.869 -7.156 1.00 0.00 N \n',
'ATOM 237 H ARG A 41 102.842 74.296 -6.901 1.00 0.00 H \n',
'ATOM 238 CA ARG A 41 102.123 76.345 -6.963 1.00 0.00 C \n',
'ATOM 239 C ARG A 41 101.556 76.676 -5.578 1.00 0.00 C \n',
'ATOM 240 O ARG A 41 100.518 77.307 -5.391 1.00 0.00 O \n',
'ATOM 241 CB ARG A 41 101.523 76.873 -8.171 1.00 0.00 B \n',
'ATOM 242 N PRO A 42 102.271 76.234 -4.625 1.00 0.00 N \n',
'ATOM 243 CA PRO A 42 101.904 76.440 -3.222 1.00 0.00 C \n',
'ATOM 244 C PRO A 42 102.676 77.586 -2.624 1.00 0.00 C \n',
'ATOM 245 O PRO A 42 103.944 77.880 -3.036 1.00 0.00 O \n',
'ATOM 246 CB PRO A 42 102.537 75.311 -2.275 1.00 0.00 B \n',
'ATOM 247 N ARG A 43 101.876 78.219 -1.646 1.00 0.00 N \n',
'ATOM 248 H ARG A 43 100.857 77.985 -1.313 1.00 0.00 H \n',
'ATOM 249 CA ARG A 43 102.401 79.348 -0.932 1.00 0.00 C \n',
'ATOM 250 C ARG A 43 103.921 79.600 -0.939 1.00 0.00 C \n',
'ATOM 251 O ARG A 43 104.479 80.762 -1.032 1.00 0.00 O \n',
'ATOM 252 CB ARG A 43 102.260 79.498 0.624 1.00 0.00 B \n',
'ATOM 253 N PHE A 44 104.565 78.481 -0.837 1.00 0.00 N \n',
'ATOM 254 H PHE A 44 104.118 77.547 -0.761 1.00 0.00 H \n',
'ATOM 255 CA PHE A 44 106.024 78.487 -0.823 1.00 0.00 C \n',
'ATOM 256 C PHE A 44 106.636 79.086 -2.124 1.00 0.00 C \n',
'ATOM 257 O PHE A 44 107.614 78.750 -2.481 1.00 0.00 O \n',
'ATOM 258 CB PHE A 44 106.166 77.060 -0.862 1.00 0.00 B \n',
'ATOM 259 N LEU A 45 106.035 79.979 -2.811 1.00 0.00 N \n',
'ATOM 260 H LEU A 45 105.251 80.253 -2.524 1.00 0.00 H \n',
'ATOM 261 CA LEU A 45 106.456 80.675 -4.090 1.00 0.00 C \n',
'ATOM 262 C LEU A 45 107.419 81.766 -3.702 1.00 0.00 C \n',
'ATOM 263 O LEU A 45 108.543 81.725 -4.127 1.00 0.00 O \n',
'ATOM 264 CB LEU A 45 105.329 81.348 -5.013 1.00 0.00 B \n',
'ATOM 265 N PRO A 46 106.945 82.737 -2.888 1.00 0.00 N \n',
'ATOM 266 CA PRO A 46 107.700 83.882 -2.391 1.00 0.00 C \n',
'ATOM 267 C PRO A 46 109.041 83.667 -1.920 1.00 0.00 C \n',
'ATOM 268 O PRO A 46 109.768 84.519 -1.999 1.00 0.00 O \n',
'ATOM 269 CB PRO A 46 106.816 84.636 -1.438 1.00 0.00 B \n',
'ATOM 270 N GLU A 47 109.341 82.511 -1.430 1.00 0.00 N \n',
'ATOM 271 H GLU A 47 108.759 81.827 -1.366 1.00 0.00 H \n',
'ATOM 272 CA GLU A 47 110.578 82.097 -0.921 1.00 0.00 C \n',
'ATOM 273 C GLU A 47 111.198 80.746 -1.319 1.00 0.00 C \n',
'ATOM 274 O GLU A 47 111.697 80.064 -0.546 1.00 0.00 O \n',
'ATOM 275 CB GLU A 47 110.896 82.485 0.425 1.00 0.00 B \n',
'ATOM 276 N LEU A 48 111.154 80.390 -2.542 1.00 0.00 N \n',
'ATOM 277 H LEU A 48 110.756 80.943 -3.166 1.00 0.00 H \n',
'ATOM 278 CA LEU A 48 111.689 79.128 -3.127 1.00 0.00 C \n',
'ATOM 279 C LEU A 48 113.091 79.285 -3.387 1.00 0.00 C \n',
'ATOM 280 O LEU A 48 113.897 78.230 -3.300 1.00 0.00 O \n',
'ATOM 281 CB LEU A 48 110.825 78.363 -4.152 1.00 0.00 B \n',
'ATOM 282 N ALA A 49 113.353 80.629 -3.707 1.00 0.00 N \n',
'ATOM 283 H ALA A 49 112.707 81.483 -3.777 1.00 0.00 H \n',
'ATOM 284 CA ALA A 49 114.635 81.022 -3.997 1.00 0.00 C \n',
'ATOM 285 C ALA A 49 114.813 82.408 -4.551 1.00 0.00 C \n',
'ATOM 286 O ALA A 49 115.693 82.570 -5.129 1.00 0.00 O \n',
'ATOM 287 CB ALA A 49 115.132 79.995 -5.217 1.00 0.00 B \n',
'ATOM 288 N SER A 50 113.959 83.395 -4.356 1.00 0.00 N \n',
'ATOM 289 H SER A 50 113.254 83.267 -3.890 1.00 0.00 H \n',
'ATOM 290 CA SER A 50 113.949 84.803 -4.807 1.00 0.00 C \n',
'ATOM 291 C SER A 50 114.465 85.811 -3.739 1.00 0.00 C \n',
'ATOM 292 O SER A 50 113.794 86.152 -2.557 1.00 0.00 O \n',
'ATOM 293 CB SER A 50 112.815 85.048 -5.310 1.00 0.00 B \n',
'ATOM 294 N ALA A 51 115.674 86.274 -4.192 1.00 0.00 N \n',
'ATOM 295 H ALA A 51 116.220 86.002 -5.145 1.00 0.00 H \n',
'ATOM 296 CA ALA A 51 116.355 87.248 -3.336 1.00 0.00 C \n',
'ATOM 297 C ALA A 51 116.607 88.468 -4.263 1.00 0.00 C \n',
'ATOM 298 O ALA A 51 116.954 88.327 -5.220 1.00 0.00 O \n',
'ATOM 299 CB ALA A 51 117.679 86.922 -2.626 1.00 0.00 B \n',
'ATOM 300 N LEU A 52 116.426 89.660 -3.948 1.00 0.00 N \n',
'ATOM 301 H LEU A 52 116.151 89.776 -3.177 1.00 0.00 H \n',
'ATOM 302 CA LEU A 52 116.609 90.959 -4.706 1.00 0.00 C \n',
'ATOM 303 C LEU A 52 118.145 91.111 -4.506 1.00 0.00 C \n',
'ATOM 304 O LEU A 52 118.641 92.158 -4.907 1.00 0.00 O \n',
'ATOM 305 CB LEU A 52 115.916 92.126 -4.354 1.00 0.00 B \n',
'ATOM 306 N GLY A 53 118.877 90.040 -3.878 1.00 0.00 N \n',
'ATOM 307 H GLY A 53 118.482 89.199 -3.555 1.00 0.00 H \n',
'ATOM 308 CA GLY A 53 120.367 89.966 -3.582 1.00 0.00 C \n',
'ATOM 309 C GLY A 53 120.870 91.342 -3.034 1.00 0.00 C \n',
'ATOM 310 O GLY A 53 121.763 91.790 -3.385 1.00 0.00 O \n',
'ATOM 311 N VAL A 54 120.273 91.991 -2.169 1.00 0.00 N \n',
'ATOM 312 H VAL A 54 119.558 91.634 -1.886 1.00 0.00 H \n',
'ATOM 313 CA VAL A 54 120.599 93.325 -1.520 1.00 0.00 C \n',
'ATOM 314 C VAL A 54 120.435 93.168 0.053 1.00 0.00 C \n',
'ATOM 315 O VAL A 54 119.401 92.803 0.603 1.00 0.00 O \n',
'ATOM 316 CB VAL A 54 119.583 94.333 -2.061 1.00 0.00 B \n',
'ATOM 317 N SER A 55 121.487 93.458 0.748 1.00 0.00 N \n',
'ATOM 318 H SER A 55 122.326 93.756 0.305 1.00 0.00 H \n',
'ATOM 319 CA SER A 55 121.540 93.372 2.268 1.00 0.00 C \n',
'ATOM 320 C SER A 55 122.127 94.746 2.726 1.00 0.00 C \n',
'ATOM 321 O SER A 55 122.851 95.303 2.096 1.00 0.00 O \n',
'ATOM 322 CB SER A 55 122.196 92.226 2.713 1.00 0.00 B \n',
'ATOM 323 N VAL A 56 121.795 95.270 3.834 1.00 0.00 N \n',
'ATOM 324 H VAL A 56 121.216 94.824 4.342 1.00 0.00 H \n',
'ATOM 325 CA VAL A 56 122.245 96.578 4.448 1.00 0.00 C \n',
'ATOM 326 C VAL A 56 121.671 97.927 4.009 1.00 0.00 C \n',
'ATOM 327 O VAL A 56 122.229 99.008 4.262 1.00 0.00 O \n',
'ATOM 328 CB VAL A 56 123.704 96.354 4.477 1.00 0.00 B \n',
'ATOM 329 N ASP A 57 120.551 97.829 3.350 1.00 0.00 N \n',
'ATOM 330 H ASP A 57 120.106 96.961 3.146 1.00 0.00 H \n',
'ATOM 331 CA ASP A 57 119.827 98.997 2.837 1.00 0.00 C \n',
'ATOM 332 C ASP A 57 119.824 98.836 1.254 1.00 0.00 C \n',
'ATOM 333 O ASP A 57 119.644 97.701 0.695 1.00 0.00 O \n',
'ATOM 334 CB ASP A 57 121.154 100.030 2.960 1.00 0.00 B \n',
'ATOM 335 N TRP A 58 120.031 100.006 0.562 1.00 0.00 N \n',
'ATOM 336 H TRP A 58 120.181 100.925 1.013 1.00 0.00 H \n',
'ATOM 337 CA TRP A 58 120.064 100.083 -0.966 1.00 0.00 C \n',
'ATOM 338 C TRP A 58 121.416 99.389 -1.305 1.00 0.00 C \n',
'ATOM 339 O TRP A 58 121.956 99.534 -2.400 1.00 0.00 O \n',
'ATOM 340 CB TRP A 58 120.190 101.716 -1.424 1.00 0.00 B \n',
'ATOM 341 N LEU A 59 121.940 98.639 -0.336 1.00 0.00 N \n',
'ATOM 342 H LEU A 59 121.509 98.526 0.547 1.00 0.00 H \n',
'ATOM 343 CA LEU A 59 123.228 97.880 -0.450 1.00 0.00 C \n',
'ATOM 344 C LEU A 59 124.318 98.358 0.499 1.00 0.00 C \n',
'ATOM 345 O LEU A 59 124.219 99.266 1.284 1.00 0.00 O \n',
'ATOM 346 CB LEU A 59 123.511 98.220 -2.020 1.00 0.00 B \n',
'ATOM 347 N LEU A 60 125.356 97.722 0.399 1.00 0.00 N \n',
'ATOM 348 H LEU A 60 125.441 96.994 -0.234 1.00 0.00 H \n',
'ATOM 349 CA LEU A 60 126.510 98.019 1.218 1.00 0.00 C \n',
'ATOM 350 C LEU A 60 126.879 99.324 1.799 1.00 0.00 C \n',
'ATOM 351 O LEU A 60 127.763 99.848 1.298 1.00 0.00 O \n',
'ATOM 352 CB LEU A 60 127.939 97.472 0.684 1.00 0.00 B \n',
'ATOM 353 N ASN A 61 126.180 99.828 2.863 1.00 0.00 N \n',
'ATOM 354 H ASN A 61 125.472 99.410 3.268 1.00 0.00 H \n',
'ATOM 355 CA ASN A 61 126.367 101.073 3.579 1.00 0.00 C \n',
'ATOM 356 C ASN A 61 127.527 100.757 4.612 1.00 0.00 C \n',
'ATOM 357 O ASN A 61 127.516 99.786 5.378 1.00 0.00 O \n',
'ATOM 358 CB ASN A 61 125.235 101.496 4.441 1.00 0.00 B \n',
'ATOM 359 N GLY A 62 128.522 101.608 4.606 1.00 0.00 N \n',
'ATOM 360 H GLY A 62 128.536 102.396 3.989 1.00 0.00 H \n',
'ATOM 361 CA GLY A 62 129.730 101.489 5.517 1.00 0.00 C \n',
'ATOM 362 C GLY A 62 129.441 102.780 6.299 1.00 0.00 C \n',
'ATOM 363 O GLY A 62 130.205 103.327 6.798 1.00 0.00 O \n',
'ATOM 364 N THR A 63 128.324 103.245 6.387 1.00 0.00 N \n',
'ATOM 365 H THR A 63 127.713 102.808 5.985 1.00 0.00 H \n',
'ATOM 366 CA THR A 63 127.851 104.468 7.094 1.00 0.00 C \n',
'ATOM 367 O THR A 63 127.934 106.652 7.933 1.00 0.00 O \n',
'ATOM 368 CB THR A 63 128.137 104.907 8.440 1.00 0.00 B \n',
'TER 369 THR A 63\n',
'ENDMDL\n',
'MODEL 2\n',
'ATOM 1 CA SER A 1 41.435 25.339 -0.115 1.00 0.00 C \n',
'ATOM 2 C SER A 1 41.584 26.352 -1.264 1.00 0.00 C \n',
'ATOM 3 O SER A 1 40.795 27.442 -1.560 1.00 0.00 O \n',
'ATOM 4 CB SER A 1 41.734 23.909 -0.598 1.00 0.00 B \n',
'ATOM 5 N ILE A 2 42.616 25.958 -1.892 1.00 0.00 N \n',
'ATOM 6 H ILE A 2 43.254 25.080 -1.653 1.00 0.00 H \n',
'ATOM 7 CA ILE A 2 42.942 26.775 -3.025 1.00 0.00 C \n',
'ATOM 8 C ILE A 2 42.906 28.275 -2.568 1.00 0.00 C \n',
'ATOM 9 O ILE A 2 43.779 28.962 -2.565 1.00 0.00 O \n',
'ATOM 10 CB ILE A 2 41.775 26.262 -4.077 1.00 0.00 B \n',
'ATOM 11 N SER A 3 41.875 28.753 -2.185 1.00 0.00 N \n',
'ATOM 12 H SER A 3 41.172 28.200 -2.187 1.00 0.00 H \n',
'ATOM 13 CA SER A 3 41.644 30.167 -1.708 1.00 0.00 C \n',
'ATOM 14 C SER A 3 42.691 30.259 -0.455 1.00 0.00 C \n',
'ATOM 15 O SER A 3 43.266 31.280 0.063 1.00 0.00 O \n',
'ATOM 16 CB SER A 3 40.287 30.099 -0.885 1.00 0.00 B \n',
'ATOM 17 N SER A 4 42.914 29.166 0.007 1.00 0.00 N \n',
'ATOM 18 H SER A 4 42.452 28.344 -0.411 1.00 0.00 H \n',
'ATOM 19 CA SER A 4 43.878 29.038 1.200 1.00 0.00 C \n',
'ATOM 20 C SER A 4 45.282 28.479 0.972 1.00 0.00 C \n',
'ATOM 21 O SER A 4 46.319 28.962 1.555 1.00 0.00 O \n',
'ATOM 22 CB SER A 4 43.505 28.228 2.482 1.00 0.00 B \n',
'ATOM 23 N ARG A 5 45.277 27.453 0.112 1.00 0.00 N \n',
'ATOM 24 H ARG A 5 44.443 27.065 -0.358 1.00 0.00 H \n',
'ATOM 25 CA ARG A 5 46.513 26.764 -0.253 1.00 0.00 C \n',
'ATOM 26 C ARG A 5 47.547 27.699 -1.030 1.00 0.00 C \n',
'ATOM 27 O ARG A 5 48.725 27.978 -0.680 1.00 0.00 O \n',
'ATOM 28 CB ARG A 5 46.270 25.475 -1.151 1.00 0.00 B \n',
'ATOM 29 N VAL A 6 47.070 28.168 -2.087 1.00 0.00 N \n',
'ATOM 30 H VAL A 6 46.122 27.944 -2.370 1.00 0.00 H \n',
'ATOM 31 CA VAL A 6 47.889 29.082 -2.974 1.00 0.00 C \n',
'ATOM 32 C VAL A 6 48.416 30.134 -1.941 1.00 0.00 C \n',
'ATOM 33 O VAL A 6 49.007 31.170 -2.305 1.00 0.00 O \n',
'ATOM 34 CB VAL A 6 47.203 29.908 -4.027 1.00 0.00 B \n',
'ATOM 35 N LYS A 7 48.185 29.833 -0.651 1.00 0.00 N \n',
'ATOM 36 H LYS A 7 47.710 28.999 -0.357 1.00 0.00 H \n',
'ATOM 37 CA LYS A 7 48.604 30.703 0.507 1.00 0.00 C \n',
'ATOM 38 C LYS A 7 49.084 29.843 1.633 1.00 0.00 C \n',
'ATOM 39 O LYS A 7 49.022 30.227 2.967 1.00 0.00 O \n',
'ATOM 40 CB LYS A 7 47.317 31.554 0.870 1.00 0.00 B \n',
'ATOM 41 N SER A 8 49.563 28.679 1.055 1.00 0.00 N \n',
'ATOM 42 H SER A 8 49.615 28.371 -0.020 1.00 0.00 H \n',
'ATOM 43 CA SER A 8 50.076 27.697 1.939 1.00 0.00 C \n',
'ATOM 44 C SER A 8 51.540 27.423 1.336 1.00 0.00 C \n',
'ATOM 45 O SER A 8 52.616 27.527 1.950 1.00 0.00 O \n',
'ATOM 46 CB SER A 8 49.246 26.460 2.047 1.00 0.00 B \n',
'ATOM 47 N LYS A 9 51.543 27.073 0.123 1.00 0.00 N \n',
'ATOM 48 H LYS A 9 50.677 26.990 -0.372 1.00 0.00 H \n',
'ATOM 49 CA LYS A 9 52.833 26.763 -0.640 1.00 0.00 C \n',
'ATOM 50 C LYS A 9 54.005 27.782 -0.619 1.00 0.00 C \n',
'ATOM 51 O LYS A 9 55.316 27.465 -0.751 1.00 0.00 O \n',
'ATOM 52 CB LYS A 9 52.485 26.333 -2.202 1.00 0.00 B \n',
'ATOM 53 N ARG A 10 53.490 29.007 -0.450 1.00 0.00 N \n',
'ATOM 54 H ARG A 10 52.435 29.264 -0.344 1.00 0.00 H \n',
'ATOM 55 CA ARG A 10 54.424 30.139 -0.399 1.00 0.00 C \n',
'ATOM 56 C ARG A 10 53.995 31.022 0.869 1.00 0.00 C \n',
'ATOM 57 O ARG A 10 53.602 32.107 0.906 1.00 0.00 O \n',
'ATOM 58 CB ARG A 10 53.887 30.984 -1.729 1.00 0.00 B \n',
'ATOM 59 N ILE A 11 54.086 30.524 1.895 1.00 0.00 N \n',
'ATOM 60 H ILE A 11 54.405 29.651 1.865 1.00 0.00 H \n',
'ATOM 61 CA ILE A 11 53.723 31.207 3.209 1.00 0.00 C \n',
'ATOM 62 C ILE A 11 54.190 30.147 4.300 1.00 0.00 C \n',
'ATOM 63 O ILE A 11 53.530 29.770 5.408 1.00 0.00 O \n',
'ATOM 64 CB ILE A 11 52.314 31.535 3.549 1.00 0.00 B \n',
'ATOM 65 N GLN A 12 55.342 29.687 3.950 1.00 0.00 N \n',
'ATOM 66 H GLN A 12 55.877 29.992 3.056 1.00 0.00 H \n',
'ATOM 67 CA GLN A 12 55.972 28.663 4.845 1.00 0.00 C \n',
'ATOM 68 C GLN A 12 57.288 28.324 4.136 1.00 0.00 C \n',
'ATOM 69 O GLN A 12 58.441 27.871 4.669 1.00 0.00 O \n',
'ATOM 70 CB GLN A 12 55.025 27.803 5.621 1.00 0.00 B \n',
'ATOM 71 N LEU A 13 57.078 28.558 2.928 1.00 0.00 N \n',
'ATOM 72 H LEU A 13 56.151 28.924 2.498 1.00 0.00 H \n',
'ATOM 73 CA LEU A 13 58.196 28.303 2.072 1.00 0.00 C \n',
'ATOM 74 C LEU A 13 59.470 29.144 2.285 1.00 0.00 C \n',
'ATOM 75 O LEU A 13 60.642 28.750 1.932 1.00 0.00 O \n',
'ATOM 76 CB LEU A 13 57.788 28.014 0.778 1.00 0.00 B \n',
'ATOM 77 N GLY A 14 59.203 30.307 2.870 1.00 0.00 N \n',
'ATOM 78 H GLY A 14 58.260 30.627 3.155 1.00 0.00 H \n',
'ATOM 79 CA GLY A 14 60.273 31.270 3.170 1.00 0.00 C \n',
'ATOM 80 C GLY A 14 60.172 32.458 2.097 1.00 0.00 C \n',
'ATOM 81 O GLY A 14 61.199 33.015 1.421 1.00 0.00 O \n',
'ATOM 82 N LEU A 15 58.910 32.822 1.968 1.00 0.00 N \n',
'ATOM 83 H LEU A 15 58.084 32.374 2.513 1.00 0.00 H \n',
'ATOM 84 CA LEU A 15 58.578 33.938 0.997 1.00 0.00 C \n',
'ATOM 85 C LEU A 15 57.261 34.660 1.283 1.00 0.00 C \n',
'ATOM 86 O LEU A 15 56.112 34.190 0.909 1.00 0.00 O \n',
'ATOM 87 CB LEU A 15 58.112 33.356 -0.554 1.00 0.00 B \n',
'ATOM 88 N ASN A 16 57.468 35.809 1.952 1.00 0.00 N \n',
'ATOM 89 H ASN A 16 58.397 36.190 2.253 1.00 0.00 H \n',
'ATOM 90 CA ASN A 16 56.344 36.664 2.332 1.00 0.00 C \n',
'ATOM 91 C ASN A 16 56.410 37.719 1.205 1.00 0.00 C \n',
'ATOM 92 O ASN A 16 55.995 38.708 1.320 1.00 0.00 O \n',
'ATOM 93 CB ASN A 16 56.519 37.115 3.867 1.00 0.00 B \n',
'ATOM 94 N GLN A 17 56.944 37.476 0.122 1.00 0.00 N \n',
'ATOM 95 H GLN A 17 57.281 36.680 0.029 1.00 0.00 H \n',
'ATOM 96 CA GLN A 17 57.102 38.359 -1.079 1.00 0.00 C \n',
'ATOM 97 C GLN A 17 58.044 39.474 -0.716 1.00 0.00 C \n',
'ATOM 98 O GLN A 17 59.193 39.523 -1.092 1.00 0.00 O \n',
'ATOM 99 CB GLN A 17 55.837 39.092 -1.608 1.00 0.00 B \n',
'ATOM 100 N ALA A 18 57.523 40.359 0.022 1.00 0.00 N \n',
'ATOM 101 H ALA A 18 56.599 40.321 0.326 1.00 0.00 H \n',
'ATOM 102 CA ALA A 18 58.253 41.509 0.483 1.00 0.00 C \n',
'ATOM 103 C ALA A 18 59.484 41.196 1.335 1.00 0.00 C \n',
'ATOM 104 O ALA A 18 60.568 41.723 1.091 1.00 0.00 O \n',
'ATOM 105 CB ALA A 18 57.307 42.457 1.068 1.00 0.00 B \n',
'ATOM 106 N GLU A 19 59.280 40.329 2.333 1.00 0.00 N \n',
'ATOM 107 H GLU A 19 58.408 39.905 2.530 1.00 0.00 H \n',
'ATOM 108 CA GLU A 19 60.325 39.886 3.274 1.00 0.00 C \n',
'ATOM 109 C GLU A 19 61.470 39.096 2.561 1.00 0.00 C \n',
'ATOM 110 O GLU A 19 62.625 38.617 3.126 1.00 0.00 O \n',
'ATOM 111 CB GLU A 19 59.450 39.161 4.265 1.00 0.00 B \n',
'ATOM 112 N LEU A 20 61.112 38.980 1.311 1.00 0.00 N \n',
'ATOM 113 H LEU A 20 60.183 39.368 0.856 1.00 0.00 H \n',
'ATOM 114 CA LEU A 20 62.051 38.260 0.444 1.00 0.00 C \n',
'ATOM 115 C LEU A 20 62.724 39.336 -0.412 1.00 0.00 C \n',
'ATOM 116 O LEU A 20 63.889 39.286 -0.804 1.00 0.00 O \n',
'ATOM 117 CB LEU A 20 61.358 37.449 -0.545 1.00 0.00 B \n',
'ATOM 118 N ALA A 21 61.956 40.303 -0.685 1.00 0.00 N \n',
'ATOM 119 H ALA A 21 61.018 40.345 -0.369 1.00 0.00 H \n',
'ATOM 120 CA ALA A 21 62.400 41.435 -1.492 1.00 0.00 C \n',
'ATOM 121 C ALA A 21 63.572 42.241 -0.746 1.00 0.00 C \n',
'ATOM 122 O ALA A 21 64.586 42.752 -1.332 1.00 0.00 O \n',
'ATOM 123 CB ALA A 21 61.381 42.513 -1.445 1.00 0.00 B \n',
'ATOM 124 N GLN A 22 63.401 42.336 0.556 1.00 0.00 N \n',
'ATOM 125 H GLN A 22 62.586 41.925 1.029 1.00 0.00 H \n',
'ATOM 126 CA GLN A 22 64.399 43.064 1.462 1.00 0.00 C \n',
'ATOM 127 C GLN A 22 65.439 42.049 2.065 1.00 0.00 C \n',
'ATOM 128 O GLN A 22 65.229 41.371 3.047 1.00 0.00 O \n',
'ATOM 129 CB GLN A 22 63.590 43.713 2.546 1.00 0.00 B \n',
'ATOM 130 N LYS A 23 66.561 41.972 1.448 1.00 0.00 N \n',
'ATOM 131 H LYS A 23 66.733 42.520 0.657 1.00 0.00 H \n',
'ATOM 132 CA LYS A 23 67.690 41.060 1.862 1.00 0.00 C \n',
'ATOM 133 C LYS A 23 68.309 40.643 0.511 1.00 0.00 C \n',
'ATOM 134 O LYS A 23 69.244 39.683 0.371 1.00 0.00 O \n',
'ATOM 135 CB LYS A 23 66.744 39.895 2.418 1.00 0.00 B \n',
'ATOM 136 N VAL A 24 67.760 41.392 -0.468 1.00 0.00 N \n',
'ATOM 137 H VAL A 24 67.008 42.168 -0.355 1.00 0.00 H \n',
'ATOM 138 CA VAL A 24 68.199 41.165 -1.847 1.00 0.00 C \n',
'ATOM 139 C VAL A 24 69.666 41.478 -2.011 1.00 0.00 C \n',
'ATOM 140 O VAL A 24 69.971 42.227 -2.790 1.00 0.00 O \n',
'ATOM 141 CB VAL A 24 67.106 41.661 -2.748 1.00 0.00 B \n',
'ATOM 142 N GLY A 25 70.556 40.883 -1.256 1.00 0.00 N \n',
'ATOM 143 H GLY A 25 70.312 40.280 -0.627 1.00 0.00 H \n',
'ATOM 144 CA GLY A 25 72.017 41.044 -1.256 1.00 0.00 C \n',
'ATOM 145 C GLY A 25 72.487 42.383 -0.663 1.00 0.00 C \n',
'ATOM 146 O GLY A 25 71.742 43.175 -0.091 1.00 0.00 O \n',
'ATOM 147 N THR A 26 73.740 42.605 -0.819 1.00 0.00 N \n',
'ATOM 148 H THR A 26 74.344 41.968 -1.280 1.00 0.00 H \n',
'ATOM 149 CA THR A 26 74.392 43.827 -0.326 1.00 0.00 C \n',
'ATOM 150 C THR A 26 75.446 44.496 -1.113 1.00 0.00 C \n',
'ATOM 151 O THR A 26 76.589 44.218 -1.063 1.00 0.00 O \n',
'ATOM 152 CB THR A 26 74.892 43.641 1.138 1.00 0.00 B \n',
'ATOM 153 N THR A 27 75.027 45.379 -1.835 1.00 0.00 N \n',
'ATOM 154 H THR A 27 74.109 45.605 -1.875 1.00 0.00 H \n',
'ATOM 155 CA THR A 27 75.875 46.135 -2.667 1.00 0.00 C \n',
'ATOM 156 C THR A 27 76.512 47.447 -2.046 1.00 0.00 C \n',
'ATOM 157 O THR A 27 75.956 48.159 -1.203 1.00 0.00 O \n',
'ATOM 158 CB THR A 27 75.378 46.380 -3.993 1.00 0.00 B \n',
'ATOM 159 N GLN A 28 77.690 47.739 -2.488 1.00 0.00 N \n',
'ATOM 160 H GLN A 28 78.141 47.167 -3.168 1.00 0.00 H \n',
'ATOM 161 CA GLN A 28 78.474 48.950 -2.025 1.00 0.00 C \n',
'ATOM 162 C GLN A 28 78.989 49.564 -3.282 1.00 0.00 C \n',
'ATOM 163 O GLN A 28 78.455 50.499 -3.803 1.00 0.00 O \n',
'ATOM 164 CB GLN A 28 79.213 48.680 -0.826 1.00 0.00 B \n',
'ATOM 165 N GLN A 29 80.039 49.013 -3.744 1.00 0.00 N \n',
'ATOM 166 H GLN A 29 80.474 48.261 -3.323 1.00 0.00 H \n',
'ATOM 167 CA GLN A 29 80.691 49.448 -4.941 1.00 0.00 C \n',
'ATOM 168 C GLN A 29 81.657 50.610 -4.601 1.00 0.00 C \n',
'ATOM 169 O GLN A 29 82.734 50.416 -3.957 1.00 0.00 O \n',
'ATOM 170 CB GLN A 29 79.710 49.919 -6.019 1.00 0.00 B \n',
'ATOM 171 N SER A 30 81.238 51.813 -5.052 1.00 0.00 N \n',
'ATOM 172 H SER A 30 80.373 51.971 -5.571 1.00 0.00 H \n',
'ATOM 173 CA SER A 30 82.007 53.066 -4.838 1.00 0.00 C \n',
'ATOM 174 C SER A 30 81.986 54.209 -5.818 1.00 0.00 C \n',
'ATOM 175 O SER A 30 82.889 54.300 -6.457 1.00 0.00 O \n',
'ATOM 176 CB SER A 30 83.667 52.624 -4.502 1.00 0.00 B \n',
'ATOM 177 N ILE A 31 80.937 55.071 -5.912 1.00 0.00 N \n',
'ATOM 178 H ILE A 31 80.212 55.000 -5.397 1.00 0.00 H \n',
'ATOM 179 CA ILE A 31 80.716 56.242 -6.795 1.00 0.00 C \n',
'ATOM 180 C ILE A 31 81.786 57.244 -6.470 1.00 0.00 C \n',
'ATOM 181 O ILE A 31 81.659 57.862 -5.502 1.00 0.00 O \n',
'ATOM 182 CB ILE A 31 79.459 56.885 -6.681 1.00 0.00 B \n',
'ATOM 183 N GLU A 32 82.837 57.381 -7.308 1.00 0.00 N \n',
'ATOM 184 H GLU A 32 82.943 56.884 -8.089 1.00 0.00 H \n',
'ATOM 185 CA GLU A 32 83.979 58.289 -7.181 1.00 0.00 C \n',
'ATOM 186 C GLU A 32 83.574 59.707 -7.646 1.00 0.00 C \n',
'ATOM 187 O GLU A 32 83.035 59.883 -8.368 1.00 0.00 O \n',
'ATOM 188 CB GLU A 32 85.176 57.713 -8.017 1.00 0.00 B \n',
'ATOM 189 N GLN A 33 83.853 60.704 -7.210 1.00 0.00 N \n',
'ATOM 190 H GLN A 33 84.291 60.565 -6.628 1.00 0.00 H \n',
'ATOM 191 CA GLN A 33 83.546 62.144 -7.536 1.00 0.00 C \n',
'ATOM 192 C GLN A 33 84.421 63.124 -6.725 1.00 0.00 C \n',
'ATOM 193 O GLN A 33 84.492 63.052 -5.591 1.00 0.00 O \n',
'ATOM 194 CB GLN A 33 82.347 62.543 -6.423 1.00 0.00 B \n',
'ATOM 195 N LEU A 34 85.081 64.034 -7.341 1.00 0.00 N \n',
'ATOM 196 H LEU A 34 85.027 64.095 -8.255 1.00 0.00 H \n',
'ATOM 197 CA LEU A 34 85.976 65.070 -6.742 1.00 0.00 C \n',
'ATOM 198 C LEU A 34 85.588 66.530 -7.038 1.00 0.00 C \n',
'ATOM 199 O LEU A 34 85.435 66.862 -8.008 1.00 0.00 O \n',
'ATOM 200 CB LEU A 34 87.302 64.732 -6.985 1.00 0.00 B \n',
'ATOM 201 N GLU A 35 85.440 67.384 -6.177 1.00 0.00 N \n',
'ATOM 202 H GLU A 35 85.567 67.119 -5.396 1.00 0.00 H \n',
'ATOM 203 CA GLU A 35 85.067 68.833 -6.274 1.00 0.00 C \n',
'ATOM 204 C GLU A 35 85.976 69.274 -7.455 1.00 0.00 C \n',
'ATOM 205 O GLU A 35 85.597 69.881 -8.295 1.00 0.00 O \n',
'ATOM 206 CB GLU A 35 85.195 69.787 -4.966 1.00 0.00 B \n',
'ATOM 207 N ASN A 36 87.179 68.952 -7.489 1.00 0.00 N \n',
'ATOM 208 H ASN A 36 87.488 68.465 -6.812 1.00 0.00 H \n',
'ATOM 209 CA ASN A 36 88.208 69.277 -8.538 1.00 0.00 C \n',
'ATOM 210 C ASN A 36 89.402 70.127 -7.943 1.00 0.00 C \n',
'ATOM 211 O ASN A 36 90.526 69.829 -8.086 1.00 0.00 O \n',
'ATOM 212 CB ASN A 36 87.346 70.263 -9.500 1.00 0.00 B \n',
'ATOM 213 N GLY A 37 89.122 71.189 -7.277 1.00 0.00 N \n',
'ATOM 214 H GLY A 37 88.219 71.432 -7.162 1.00 0.00 H \n',
'ATOM 215 CA GLY A 37 90.119 72.138 -6.625 1.00 0.00 C \n',
'ATOM 216 C GLY A 37 91.609 71.877 -7.042 1.00 0.00 C \n',
'ATOM 217 O GLY A 37 92.512 72.508 -6.563 1.00 0.00 O \n',
'ATOM 218 N LYS A 38 91.831 70.936 -7.942 1.00 0.00 N \n',
'ATOM 219 H LYS A 38 91.106 70.430 -8.328 1.00 0.00 H \n',
'ATOM 220 CA LYS A 38 93.184 70.523 -8.481 1.00 0.00 C \n',
'ATOM 221 C LYS A 38 94.145 70.535 -7.321 1.00 0.00 C \n',
'ATOM 222 O LYS A 38 94.510 69.572 -6.870 1.00 0.00 O \n',
'ATOM 223 CB LYS A 38 93.557 71.283 -9.676 1.00 0.00 B \n',
'ATOM 224 N THR A 39 94.540 71.651 -6.860 1.00 0.00 N \n',
'ATOM 225 H THR A 39 94.249 72.430 -7.224 1.00 0.00 H \n',
'ATOM 226 CA THR A 39 95.459 71.871 -5.749 1.00 0.00 C \n',
'ATOM 227 C THR A 39 95.801 73.454 -5.701 1.00 0.00 C \n',
'ATOM 228 O THR A 39 96.926 73.959 -6.096 1.00 0.00 O \n',
'ATOM 229 CB THR A 39 96.885 71.504 -6.692 1.00 0.00 B \n',
'ATOM 230 N LYS A 40 94.801 74.210 -5.209 1.00 0.00 N \n',
'ATOM 231 H LYS A 40 93.898 73.806 -4.891 1.00 0.00 H \n',
'ATOM 232 CA LYS A 40 94.909 75.748 -5.073 1.00 0.00 C \n',
'ATOM 233 C LYS A 40 95.222 76.109 -3.592 1.00 0.00 C \n',
'ATOM 234 O LYS A 40 94.736 75.553 -2.751 1.00 0.00 O \n',
'ATOM 235 CB LYS A 40 93.565 76.244 -5.279 1.00 0.00 B \n',
'ATOM 236 N ARG A 41 96.048 77.052 -3.306 1.00 0.00 N \n',
'ATOM 237 H ARG A 41 96.444 77.502 -3.984 1.00 0.00 H \n',
'ATOM 238 CA ARG A 41 96.478 77.547 -1.944 1.00 0.00 C \n',
'ATOM 239 C ARG A 41 96.984 76.301 -1.103 1.00 0.00 C \n',
'ATOM 240 O ARG A 41 96.620 75.970 0.061 1.00 0.00 O \n',
'ATOM 241 CB ARG A 41 95.310 78.056 -1.218 1.00 0.00 B \n',
'ATOM 242 N PRO A 42 97.830 75.633 -1.727 1.00 0.00 N \n',
'ATOM 243 CA PRO A 42 98.434 74.404 -1.104 1.00 0.00 C \n',
'ATOM 244 C PRO A 42 98.968 74.586 0.303 1.00 0.00 C \n',
'ATOM 245 O PRO A 42 99.687 73.794 0.839 1.00 0.00 O \n',
'ATOM 246 CB PRO A 42 99.299 73.726 -1.934 1.00 0.00 B \n',
'ATOM 247 N ARG A 43 98.598 75.651 0.876 1.00 0.00 N \n',
'ATOM 248 H ARG A 43 98.022 76.294 0.444 1.00 0.00 H \n',
'ATOM 249 CA ARG A 43 98.995 76.013 2.227 1.00 0.00 C \n',
'ATOM 250 C ARG A 43 100.460 75.899 2.499 1.00 0.00 C \n',
'ATOM 251 O ARG A 43 100.865 75.972 3.623 1.00 0.00 O \n',
'ATOM 252 CB ARG A 43 98.185 75.254 3.368 1.00 0.00 B \n',
'ATOM 253 N PHE A 44 101.234 75.720 1.439 1.00 0.00 N \n',
'ATOM 254 H PHE A 44 100.911 75.664 0.533 1.00 0.00 H \n',
'ATOM 255 CA PHE A 44 102.670 75.583 1.477 1.00 0.00 C \n',
'ATOM 256 C PHE A 44 103.253 77.039 1.223 1.00 0.00 C \n',
'ATOM 257 O PHE A 44 104.365 77.295 1.481 1.00 0.00 O \n',
'ATOM 258 CB PHE A 44 103.268 74.726 0.607 1.00 0.00 B \n',
'ATOM 259 N LEU A 45 102.473 77.976 0.712 1.00 0.00 N \n',
'ATOM 260 H LEU A 45 101.581 77.773 0.504 1.00 0.00 H \n',
'ATOM 261 CA LEU A 45 102.835 79.437 0.391 1.00 0.00 C \n',
'ATOM 262 C LEU A 45 103.859 79.564 1.577 1.00 0.00 C \n',
'ATOM 263 O LEU A 45 103.753 80.392 2.392 1.00 0.00 O \n',
'ATOM 264 CB LEU A 45 101.655 80.245 0.334 1.00 0.00 B \n',
'ATOM 265 N PRO A 46 104.846 78.723 1.643 1.00 0.00 N \n',
'ATOM 266 CA PRO A 46 105.934 78.672 2.702 1.00 0.00 C \n',
'ATOM 267 C PRO A 46 107.255 78.391 1.972 1.00 0.00 C \n',
'ATOM 268 O PRO A 46 108.313 78.968 2.207 1.00 0.00 O \n',
'ATOM 269 CB PRO A 46 105.342 77.684 3.611 1.00 0.00 B \n',
'ATOM 270 N GLU A 47 107.159 77.497 1.086 1.00 0.00 N \n',
'ATOM 271 H GLU A 47 106.310 77.035 0.896 1.00 0.00 H \n',
'ATOM 272 CA GLU A 47 108.302 77.076 0.272 1.00 0.00 C \n',
'ATOM 273 C GLU A 47 108.309 77.840 -1.069 1.00 0.00 C \n',
'ATOM 274 O GLU A 47 109.218 78.501 -1.256 1.00 0.00 O \n',
'ATOM 275 CB GLU A 47 108.089 75.586 -0.011 1.00 0.00 B \n',
'ATOM 276 N LEU A 48 107.277 77.728 -1.986 1.00 0.00 N \n',
'ATOM 277 H LEU A 48 106.549 77.198 -1.835 1.00 0.00 H \n',
'ATOM 278 CA LEU A 48 107.083 78.377 -3.344 1.00 0.00 C \n',
'ATOM 279 C LEU A 48 107.675 79.855 -3.272 1.00 0.00 C \n',
'ATOM 280 O LEU A 48 107.965 80.533 -4.224 1.00 0.00 O \n',
'ATOM 281 CB LEU A 48 105.605 78.392 -3.616 1.00 0.00 B \n',
'ATOM 282 N ALA A 49 107.845 80.325 -2.121 1.00 0.00 N \n',
'ATOM 283 H ALA A 49 107.615 79.781 -1.354 1.00 0.00 H \n',
'ATOM 284 CA ALA A 49 108.395 81.715 -1.838 1.00 0.00 C \n',
'ATOM 285 C ALA A 49 109.956 81.610 -2.110 1.00 0.00 C \n',
'ATOM 286 O ALA A 49 110.766 82.609 -2.440 1.00 0.00 O \n',
'ATOM 287 CB ALA A 49 108.267 82.182 -0.431 1.00 0.00 B \n',
'ATOM 288 N SER A 50 110.347 80.378 -1.962 1.00 0.00 N \n',
'ATOM 289 H SER A 50 109.698 79.576 -1.697 1.00 0.00 H \n',
'ATOM 290 CA SER A 50 111.795 80.048 -2.174 1.00 0.00 C \n',
'ATOM 291 C SER A 50 111.939 80.037 -3.766 1.00 0.00 C \n',
'ATOM 292 O SER A 50 112.929 80.117 -4.319 1.00 0.00 O \n',
'ATOM 293 CB SER A 50 112.119 78.619 -1.852 1.00 0.00 B \n',
'ATOM 294 N ALA A 51 110.929 79.938 -4.475 1.00 0.00 N \n',
'ATOM 295 H ALA A 51 110.136 79.877 -4.030 1.00 0.00 H \n',
'ATOM 296 CA ALA A 51 110.860 79.907 -6.015 1.00 0.00 C \n',
'ATOM 297 C ALA A 51 110.234 81.183 -6.553 1.00 0.00 C \n',
'ATOM 298 O ALA A 51 110.369 81.439 -7.640 1.00 0.00 O \n',
'ATOM 299 CB ALA A 51 109.818 78.601 -6.060 1.00 0.00 B \n',
'ATOM 300 N LEU A 52 109.553 81.967 -5.762 1.00 0.00 N \n',
'ATOM 301 H LEU A 52 109.448 81.763 -4.886 1.00 0.00 H \n',
'ATOM 302 CA LEU A 52 108.867 83.239 -6.086 1.00 0.00 C \n',
'ATOM 303 C LEU A 52 109.944 84.347 -5.854 1.00 0.00 C \n',
'ATOM 304 O LEU A 52 109.895 85.542 -6.548 1.00 0.00 O \n',
'ATOM 305 CB LEU A 52 107.736 83.294 -5.111 1.00 0.00 B \n',
'ATOM 306 N GLY A 53 110.912 83.913 -4.862 1.00 0.00 N \n',
'ATOM 307 H GLY A 53 110.956 82.952 -4.303 1.00 0.00 H \n',
'ATOM 308 CA GLY A 53 112.043 84.804 -4.468 1.00 0.00 C \n',
'ATOM 309 C GLY A 53 113.372 84.463 -4.766 1.00 0.00 C \n',
'ATOM 310 O GLY A 53 114.060 85.322 -4.857 1.00 0.00 O \n',
'ATOM 311 N VAL A 54 113.708 83.194 -4.913 1.00 0.00 N \n',
'ATOM 312 H VAL A 54 113.158 82.505 -4.840 1.00 0.00 H \n',
'ATOM 313 CA VAL A 54 114.940 82.648 -5.204 1.00 0.00 C \n',
'ATOM 314 C VAL A 54 116.331 83.003 -4.616 1.00 0.00 C \n',
'ATOM 315 O VAL A 54 117.296 82.145 -4.473 1.00 0.00 O \n',
'ATOM 316 CB VAL A 54 115.049 82.444 -6.746 1.00 0.00 B \n',
'ATOM 317 N SER A 55 116.401 84.289 -4.285 1.00 0.00 N \n',
'ATOM 318 H SER A 55 115.627 84.984 -4.401 1.00 0.00 H \n',
'ATOM 319 CA SER A 55 117.636 84.844 -3.704 1.00 0.00 C \n',
'ATOM 320 C SER A 55 117.336 85.170 -2.211 1.00 0.00 C \n',
'ATOM 321 O SER A 55 116.521 85.704 -1.959 1.00 0.00 O \n',
'ATOM 322 CB SER A 55 118.092 85.755 -4.828 1.00 0.00 B \n',
'ATOM 323 N VAL A 56 118.023 84.834 -1.241 1.00 0.00 N \n',
'ATOM 324 H VAL A 56 118.685 84.406 -1.444 1.00 0.00 H \n',
'ATOM 325 CA VAL A 56 117.885 85.054 0.261 1.00 0.00 C \n',
'ATOM 326 C VAL A 56 119.037 85.777 0.969 1.00 0.00 C \n',
'ATOM 327 O VAL A 56 119.028 85.802 2.170 1.00 0.00 O \n',
'ATOM 328 CB VAL A 56 117.760 83.663 0.938 1.00 0.00 B \n',
'ATOM 329 N ASP A 57 120.023 86.362 0.188 1.00 0.00 N \n',
'ATOM 330 H ASP A 57 120.036 86.346 -0.780 1.00 0.00 H \n',
'ATOM 331 CA ASP A 57 121.224 87.109 0.663 1.00 0.00 C \n',
'ATOM 332 C ASP A 57 120.550 88.314 1.262 1.00 0.00 C \n',
'ATOM 333 O ASP A 57 121.005 88.774 2.139 1.00 0.00 O \n',
'ATOM 334 CB ASP A 57 122.214 87.469 -0.255 1.00 0.00 B \n',
'ATOM 335 N TRP A 58 119.463 88.805 0.762 1.00 0.00 N \n',
'ATOM 336 H TRP A 58 119.101 88.437 0.054 1.00 0.00 H \n',
'ATOM 337 CA TRP A 58 118.658 89.958 1.194 1.00 0.00 C \n',
'ATOM 338 C TRP A 58 119.512 91.347 1.060 1.00 0.00 C \n',
'ATOM 339 O TRP A 58 119.533 92.359 1.871 1.00 0.00 O \n',
'ATOM 340 CB TRP A 58 118.186 89.690 2.500 1.00 0.00 B \n',
'ATOM 341 N LEU A 59 120.212 91.361 0.017 1.00 0.00 N \n',
'ATOM 342 H LEU A 59 120.200 90.549 -0.636 1.00 0.00 H \n',
'ATOM 343 CA LEU A 59 121.095 92.585 -0.300 1.00 0.00 C \n',
'ATOM 344 C LEU A 59 120.967 93.072 -1.591 1.00 0.00 C \n',
'ATOM 345 O LEU A 59 121.880 93.693 -2.082 1.00 0.00 O \n',
'ATOM 346 CB LEU A 59 122.595 92.522 0.230 1.00 0.00 B \n',
'ATOM 347 N LEU A 60 119.815 92.772 -2.116 1.00 0.00 N \n',
'ATOM 348 H LEU A 60 119.084 92.274 -1.720 1.00 0.00 H \n',
'ATOM 349 CA LEU A 60 119.478 93.141 -3.355 1.00 0.00 C \n',
'ATOM 350 C LEU A 60 120.580 92.793 -4.353 1.00 0.00 C \n',
'ATOM 351 O LEU A 60 120.457 92.830 -5.502 1.00 0.00 O \n',
'ATOM 352 CB LEU A 60 119.259 94.688 -3.437 1.00 0.00 B \n',
'ATOM 353 N ASN A 61 121.654 92.461 -3.877 1.00 0.00 N \n',
'ATOM 354 H ASN A 61 121.758 92.435 -2.951 1.00 0.00 H \n',
'ATOM 355 CA ASN A 61 122.826 92.088 -4.666 1.00 0.00 C \n',
'ATOM 356 C ASN A 61 123.020 90.586 -4.653 1.00 0.00 C \n',
'ATOM 357 O ASN A 61 123.012 89.852 -3.597 1.00 0.00 O \n',
'ATOM 358 CB ASN A 61 124.164 92.986 -4.157 1.00 0.00 B \n',
'ATOM 359 N GLY A 62 123.196 90.163 -5.853 1.00 0.00 N \n',
'ATOM 360 H GLY A 62 123.207 90.758 -6.705 1.00 0.00 H \n',
'ATOM 361 CA GLY A 62 123.397 88.754 -6.070 1.00 0.00 C \n',
'ATOM 362 C GLY A 62 124.713 88.143 -6.385 1.00 0.00 C \n',
'ATOM 363 O GLY A 62 125.139 88.005 -7.449 1.00 0.00 O \n',
'ATOM 364 N THR A 63 125.339 87.788 -5.430 1.00 0.00 N \n',
'ATOM 365 H THR A 63 125.000 87.903 -4.571 1.00 0.00 H \n',
'ATOM 366 CA THR A 63 126.614 87.179 -5.525 1.00 0.00 C \n',
'ATOM 367 O THR A 63 128.395 86.130 -4.332 1.00 0.00 O \n',
'ATOM 368 CB THR A 63 127.522 88.215 -4.790 1.00 0.00 B \n',
'TER 369 THR A 63\n',
'ENDMDL\n',
'MODEL 3\n',
'ATOM 1 CA SER A 1 49.477 42.005 -12.738 1.00 0.00 C \n',
'ATOM 2 C SER A 1 50.899 41.858 -12.230 1.00 0.00 C \n',
'ATOM 3 O SER A 1 51.132 41.022 -11.551 1.00 0.00 O \n',
'ATOM 4 CB SER A 1 49.447 42.667 -14.231 1.00 0.00 B \n',
'ATOM 5 N ILE A 2 51.834 42.695 -12.582 1.00 0.00 N \n',
'ATOM 6 H ILE A 2 51.648 43.371 -13.130 1.00 0.00 H \n',
'ATOM 7 CA ILE A 2 53.264 42.724 -12.200 1.00 0.00 C \n',
'ATOM 8 C ILE A 2 53.609 43.019 -10.821 1.00 0.00 C \n',
'ATOM 9 O ILE A 2 54.498 42.381 -10.313 1.00 0.00 O \n',
'ATOM 10 CB ILE A 2 54.044 43.848 -13.124 1.00 0.00 B \n',
'ATOM 11 N SER A 3 52.882 44.001 -10.240 1.00 0.00 N \n',
'ATOM 12 H SER A 3 52.167 44.517 -10.650 1.00 0.00 H \n',
'ATOM 13 CA SER A 3 53.045 44.446 -8.912 1.00 0.00 C \n',
'ATOM 14 C SER A 3 52.834 43.241 -8.052 1.00 0.00 C \n',
'ATOM 15 O SER A 3 53.604 43.004 -7.245 1.00 0.00 O \n',
'ATOM 16 CB SER A 3 52.163 45.540 -8.315 1.00 0.00 B \n',
'ATOM 17 N SER A 4 51.773 42.496 -8.253 1.00 0.00 N \n',
'ATOM 18 H SER A 4 51.154 42.689 -8.904 1.00 0.00 H \n',
'ATOM 19 CA SER A 4 51.383 41.289 -7.533 1.00 0.00 C \n',
'ATOM 20 C SER A 4 52.173 40.091 -7.291 1.00 0.00 C \n',
'ATOM 21 O SER A 4 52.146 39.682 -6.205 1.00 0.00 O \n',
'ATOM 22 CB SER A 4 50.092 40.694 -8.298 1.00 0.00 B \n',
'ATOM 23 N ARG A 5 52.871 39.550 -8.332 1.00 0.00 N \n',
'ATOM 24 H ARG A 5 52.895 39.882 -9.208 1.00 0.00 H \n',
'ATOM 25 CA ARG A 5 53.699 38.389 -8.317 1.00 0.00 C \n',
'ATOM 26 C ARG A 5 54.953 38.838 -7.500 1.00 0.00 C \n',
'ATOM 27 O ARG A 5 55.823 38.017 -7.092 1.00 0.00 O \n',
'ATOM 28 CB ARG A 5 53.968 37.842 -9.770 1.00 0.00 B \n',
'ATOM 29 N VAL A 6 55.015 40.159 -7.280 1.00 0.00 N \n',
'ATOM 30 H VAL A 6 54.316 40.822 -7.609 1.00 0.00 H \n',
'ATOM 31 CA VAL A 6 56.131 40.806 -6.517 1.00 0.00 C \n',
'ATOM 32 C VAL A 6 56.337 39.856 -5.286 1.00 0.00 C \n',
'ATOM 33 O VAL A 6 57.347 39.662 -4.772 1.00 0.00 O \n',
'ATOM 34 CB VAL A 6 55.468 42.093 -5.829 1.00 0.00 B \n',
'ATOM 35 N LYS A 7 55.356 39.279 -4.837 1.00 0.00 N \n',
'ATOM 36 H LYS A 7 54.544 39.437 -5.252 1.00 0.00 H \n',
'ATOM 37 CA LYS A 7 55.349 38.330 -3.666 1.00 0.00 C \n',
'ATOM 38 C LYS A 7 56.103 37.071 -3.920 1.00 0.00 C \n',
'ATOM 39 O LYS A 7 56.661 36.547 -3.085 1.00 0.00 O \n',
'ATOM 40 CB LYS A 7 53.742 38.046 -3.258 1.00 0.00 B \n',
'ATOM 41 N SER A 8 56.099 36.610 -5.091 1.00 0.00 N \n',
'ATOM 42 H SER A 8 55.651 37.034 -5.763 1.00 0.00 H \n',
'ATOM 43 CA SER A 8 56.762 35.410 -5.538 1.00 0.00 C \n',
'ATOM 44 C SER A 8 58.264 35.530 -5.493 1.00 0.00 C \n',
'ATOM 45 O SER A 8 59.045 34.484 -5.324 1.00 0.00 O \n',
'ATOM 46 CB SER A 8 56.603 35.474 -7.083 1.00 0.00 B \n',
'ATOM 47 N LYS A 9 58.637 36.833 -5.649 1.00 0.00 N \n',
'ATOM 48 H LYS A 9 58.010 37.678 -5.785 1.00 0.00 H \n',
'ATOM 49 CA LYS A 9 60.031 37.186 -5.639 1.00 0.00 C \n',
'ATOM 50 C LYS A 9 60.532 37.352 -4.254 1.00 0.00 C \n',
'ATOM 51 O LYS A 9 61.205 36.442 -3.695 1.00 0.00 O \n',
'ATOM 52 CB LYS A 9 60.343 38.540 -6.369 1.00 0.00 B \n',
'ATOM 53 N ARG A 10 60.185 38.536 -3.728 1.00 0.00 N \n',
'ATOM 54 H ARG A 10 59.645 39.271 -4.180 1.00 0.00 H \n',
'ATOM 55 CA ARG A 10 60.558 38.907 -2.406 1.00 0.00 C \n',
'ATOM 56 C ARG A 10 60.288 38.166 -1.128 1.00 0.00 C \n',
'ATOM 57 O ARG A 10 61.163 38.087 -0.301 1.00 0.00 O \n',
'ATOM 58 CB ARG A 10 60.071 40.364 -2.122 1.00 0.00 B \n',
'ATOM 59 N ILE A 11 59.058 37.632 -0.998 1.00 0.00 N \n',
'ATOM 60 H ILE A 11 58.355 37.697 -1.666 1.00 0.00 H \n',
'ATOM 61 CA ILE A 11 58.582 36.875 0.154 1.00 0.00 C \n',
'ATOM 62 C ILE A 11 58.933 35.392 0.135 1.00 0.00 C \n',
'ATOM 63 O ILE A 11 59.182 34.679 1.326 1.00 0.00 O \n',
'ATOM 64 CB ILE A 11 57.054 37.002 0.317 1.00 0.00 B \n',
'ATOM 65 N GLN A 12 58.946 34.960 -1.246 1.00 0.00 N \n',
'ATOM 66 H GLN A 12 58.748 35.537 -2.207 1.00 0.00 H \n',
'ATOM 67 CA GLN A 12 59.256 33.569 -1.526 1.00 0.00 C \n',
'ATOM 68 C GLN A 12 60.671 33.272 -1.332 1.00 0.00 C \n',
'ATOM 69 O GLN A 12 61.012 32.230 -0.821 1.00 0.00 O \n',
'ATOM 70 CB GLN A 12 58.411 33.228 -2.556 1.00 0.00 B \n',
'ATOM 71 N LEU A 13 61.475 34.218 -1.753 1.00 0.00 N \n',
'ATOM 72 H LEU A 13 61.202 35.059 -2.166 1.00 0.00 H \n',
'ATOM 73 CA LEU A 13 62.873 34.135 -1.662 1.00 0.00 C \n',
'ATOM 74 C LEU A 13 63.368 33.732 -0.221 1.00 0.00 C \n',
'ATOM 75 O LEU A 13 64.164 32.860 0.044 1.00 0.00 O \n',
'ATOM 76 CB LEU A 13 63.456 35.544 -2.065 1.00 0.00 B \n',
'ATOM 77 N GLY A 14 62.876 34.392 0.691 1.00 0.00 N \n',
'ATOM 78 H GLY A 14 62.237 35.096 0.477 1.00 0.00 H \n',
'ATOM 79 CA GLY A 14 63.216 34.160 2.136 1.00 0.00 C \n',
'ATOM 80 C GLY A 14 63.740 35.618 2.295 1.00 0.00 C \n',
'ATOM 81 O GLY A 14 64.776 35.884 2.855 1.00 0.00 O \n',
'ATOM 82 N LEU A 15 62.994 36.544 1.786 1.00 0.00 N \n',
'ATOM 83 H LEU A 15 62.161 36.331 1.334 1.00 0.00 H \n',
'ATOM 84 CA LEU A 15 63.311 38.006 1.829 1.00 0.00 C \n',
'ATOM 85 C LEU A 15 62.681 38.901 2.899 1.00 0.00 C \n',
'ATOM 86 O LEU A 15 61.840 38.552 3.416 1.00 0.00 O \n',
'ATOM 87 CB LEU A 15 63.208 39.014 0.646 1.00 0.00 B \n',
'ATOM 88 N ASN A 16 63.115 40.058 3.207 1.00 0.00 N \n',
'ATOM 89 H ASN A 16 63.795 40.341 2.790 1.00 0.00 H \n',
'ATOM 90 CA ASN A 16 62.639 41.066 4.210 1.00 0.00 C \n',
'ATOM 91 C ASN A 16 63.327 42.326 3.654 1.00 0.00 C \n',
'ATOM 92 O ASN A 16 64.503 42.322 3.352 1.00 0.00 O \n',
'ATOM 93 CB ASN A 16 62.994 40.717 5.555 1.00 0.00 B \n',
'ATOM 94 N GLN A 17 62.561 43.393 3.532 1.00 0.00 N \n',
'ATOM 95 H GLN A 17 61.616 43.398 3.776 1.00 0.00 H \n',
'ATOM 96 CA GLN A 17 63.020 44.706 3.019 1.00 0.00 C \n',
'ATOM 97 C GLN A 17 64.390 45.137 3.788 1.00 0.00 C \n',
'ATOM 98 O GLN A 17 65.437 45.517 3.256 1.00 0.00 O \n',
'ATOM 99 CB GLN A 17 61.994 45.724 3.691 1.00 0.00 B \n',
'ATOM 100 N ALA A 18 64.346 45.066 5.047 1.00 0.00 N \n',
'ATOM 101 H ALA A 18 63.504 44.761 5.476 1.00 0.00 H \n',
'ATOM 102 CA ALA A 18 65.544 45.431 5.965 1.00 0.00 C \n',
'ATOM 103 C ALA A 18 66.711 44.397 5.435 1.00 0.00 C \n',
'ATOM 104 O ALA A 18 67.904 44.705 5.238 1.00 0.00 O \n',
'ATOM 105 CB ALA A 18 65.247 44.968 7.377 1.00 0.00 B \n',
'ATOM 106 N GLU A 19 66.328 43.175 5.215 1.00 0.00 N \n',
'ATOM 107 H GLU A 19 65.368 42.929 5.374 1.00 0.00 H \n',
'ATOM 108 CA GLU A 19 67.281 42.029 4.705 1.00 0.00 C \n',
'ATOM 109 C GLU A 19 67.710 42.383 3.290 1.00 0.00 C \n',
'ATOM 110 O GLU A 19 68.740 42.034 2.726 1.00 0.00 O \n',
'ATOM 111 CB GLU A 19 66.549 40.824 4.790 1.00 0.00 B \n',
'ATOM 112 N LEU A 20 66.894 43.084 2.744 1.00 0.00 N \n',
'ATOM 113 H LEU A 20 66.066 43.367 3.199 1.00 0.00 H \n',
'ATOM 114 CA LEU A 20 67.114 43.529 1.391 1.00 0.00 C \n',
'ATOM 115 C LEU A 20 68.252 44.444 1.107 1.00 0.00 C \n',
'ATOM 116 O LEU A 20 68.954 44.281 0.124 1.00 0.00 O \n',
'ATOM 117 CB LEU A 20 65.812 44.261 0.903 1.00 0.00 B \n',
'ATOM 118 N ALA A 21 68.408 45.402 1.993 1.00 0.00 N \n',
'ATOM 119 H ALA A 21 67.845 45.535 2.786 1.00 0.00 H \n',
'ATOM 120 CA ALA A 21 69.439 46.390 1.911 1.00 0.00 C \n',
'ATOM 121 C ALA A 21 70.862 45.567 2.108 1.00 0.00 C \n',
'ATOM 122 O ALA A 21 71.916 45.689 1.481 1.00 0.00 O \n',
'ATOM 123 CB ALA A 21 69.358 47.468 3.008 1.00 0.00 B \n',
'ATOM 124 N GLN A 22 70.854 44.735 2.992 1.00 0.00 N \n',
'ATOM 125 H GLN A 22 70.007 44.638 3.498 1.00 0.00 H \n',
'ATOM 126 CA GLN A 22 72.105 43.848 3.334 1.00 0.00 C \n',
'ATOM 127 C GLN A 22 72.639 42.966 2.172 1.00 0.00 C \n',
'ATOM 128 O GLN A 22 73.917 42.807 1.954 1.00 0.00 O \n',
'ATOM 129 CB GLN A 22 71.453 42.869 4.490 1.00 0.00 B \n',
'ATOM 130 N LYS A 23 71.625 42.407 1.440 1.00 0.00 N \n',
'ATOM 131 H LYS A 23 70.597 42.537 1.615 1.00 0.00 H \n',
'ATOM 132 CA LYS A 23 71.900 41.521 0.275 1.00 0.00 C \n',
'ATOM 133 C LYS A 23 72.528 42.504 -0.726 1.00 0.00 C \n',
'ATOM 134 O LYS A 23 73.609 42.288 -1.414 1.00 0.00 O \n',
'ATOM 135 CB LYS A 23 70.433 41.033 0.001 1.00 0.00 B \n',
'ATOM 136 N VAL A 24 71.819 43.583 -0.783 1.00 0.00 N \n',
'ATOM 137 H VAL A 24 70.950 43.759 -0.229 1.00 0.00 H \n',
'ATOM 138 CA VAL A 24 72.235 44.655 -1.676 1.00 0.00 C \n',
'ATOM 139 C VAL A 24 73.501 45.402 -1.242 1.00 0.00 C \n',
'ATOM 140 O VAL A 24 73.923 46.284 -1.809 1.00 0.00 O \n',
'ATOM 141 CB VAL A 24 70.960 45.621 -1.785 1.00 0.00 B \n',
'ATOM 142 N GLY A 25 74.088 45.022 -0.225 1.00 0.00 N \n',
'ATOM 143 H GLY A 25 73.751 44.313 0.232 1.00 0.00 H \n',
'ATOM 144 CA GLY A 25 75.315 45.607 0.352 1.00 0.00 C \n',
'ATOM 145 C GLY A 25 75.506 47.077 -0.126 1.00 0.00 C \n',
'ATOM 146 O GLY A 25 76.566 47.509 -0.591 1.00 0.00 O \n',
'ATOM 147 N THR A 26 74.455 47.822 0.003 1.00 0.00 N \n',
'ATOM 148 H THR A 26 73.603 47.475 0.377 1.00 0.00 H \n',
'ATOM 149 CA THR A 26 74.420 49.259 -0.395 1.00 0.00 C \n',
'ATOM 150 C THR A 26 73.300 50.052 0.285 1.00 0.00 C \n',
'ATOM 151 O THR A 26 72.159 49.894 0.049 1.00 0.00 O \n',
'ATOM 152 CB THR A 26 74.245 49.367 -1.875 1.00 0.00 B \n',
'ATOM 153 N THR A 27 73.665 50.903 1.129 1.00 0.00 N \n',
'ATOM 154 H THR A 27 74.588 51.032 1.319 1.00 0.00 H \n',
'ATOM 155 CA THR A 27 72.744 51.762 1.889 1.00 0.00 C \n',
'ATOM 156 C THR A 27 73.237 52.333 3.279 1.00 0.00 C \n',
'ATOM 157 O THR A 27 73.268 53.446 3.492 1.00 0.00 O \n',
'ATOM 158 CB THR A 27 71.350 51.077 2.154 1.00 0.00 B \n',
'ATOM 159 N GLN A 28 73.619 51.538 4.208 1.00 0.00 N \n',
'ATOM 160 H GLN A 28 73.597 50.643 4.036 1.00 0.00 H \n',
'ATOM 161 CA GLN A 28 74.124 51.888 5.611 1.00 0.00 C \n',
'ATOM 162 C GLN A 28 75.500 52.757 5.497 1.00 0.00 C \n',
'ATOM 163 O GLN A 28 76.408 52.578 6.134 1.00 0.00 O \n',
'ATOM 164 CB GLN A 28 74.679 50.399 5.915 1.00 0.00 B \n',
'ATOM 165 N GLN A 29 75.622 53.698 4.671 1.00 0.00 N \n',
'ATOM 166 H GLN A 29 74.893 53.845 4.157 1.00 0.00 H \n',
'ATOM 167 CA GLN A 29 76.857 54.642 4.412 1.00 0.00 C \n',
'ATOM 168 C GLN A 29 77.877 53.746 3.643 1.00 0.00 C \n',
'ATOM 169 O GLN A 29 79.006 53.931 3.658 1.00 0.00 O \n',
'ATOM 170 CB GLN A 29 77.580 54.806 5.776 1.00 0.00 B \n',
'ATOM 171 N SER A 30 77.445 52.780 2.975 1.00 0.00 N \n',
'ATOM 172 H SER A 30 76.538 52.633 2.963 1.00 0.00 H \n',
'ATOM 173 CA SER A 30 78.260 51.804 2.169 1.00 0.00 C \n',
'ATOM 174 C SER A 30 78.234 52.388 0.709 1.00 0.00 C \n',
'ATOM 175 O SER A 30 79.128 52.285 0.070 1.00 0.00 O \n',
'ATOM 176 CB SER A 30 78.039 50.392 2.254 1.00 0.00 B \n',
'ATOM 177 N ILE A 31 77.190 53.001 0.209 1.00 0.00 N \n',
'ATOM 178 H ILE A 31 76.473 53.086 0.724 1.00 0.00 H \n',
'ATOM 179 CA ILE A 31 76.966 53.631 -1.174 1.00 0.00 C \n',
'ATOM 180 C ILE A 31 77.927 54.790 -1.269 1.00 0.00 C \n',
'ATOM 181 O ILE A 31 78.784 54.980 -2.228 1.00 0.00 O \n',
'ATOM 182 CB ILE A 31 75.507 54.119 -1.348 1.00 0.00 B \n',
'ATOM 183 N GLU A 32 77.757 55.550 -0.249 1.00 0.00 N \n',
'ATOM 184 H GLU A 32 77.070 55.399 0.525 1.00 0.00 H \n',
'ATOM 185 CA GLU A 32 78.570 56.715 -0.138 1.00 0.00 C \n',
'ATOM 186 C GLU A 32 80.069 56.489 0.061 1.00 0.00 C \n',
'ATOM 187 O GLU A 32 80.751 57.117 -0.450 1.00 0.00 O \n',
'ATOM 188 CB GLU A 32 78.182 57.657 1.033 1.00 0.00 B \n',
'ATOM 189 N GLN A 33 80.555 55.580 0.814 1.00 0.00 N \n',
'ATOM 190 H GLN A 33 80.009 55.076 1.225 1.00 0.00 H \n',
'ATOM 191 CA GLN A 33 81.967 55.206 1.132 1.00 0.00 C \n',
'ATOM 192 C GLN A 33 83.107 55.745 0.331 1.00 0.00 C \n',
'ATOM 193 O GLN A 33 83.936 55.325 0.427 1.00 0.00 O \n',
'ATOM 194 CB GLN A 33 81.914 53.705 1.080 1.00 0.00 B \n',
'ATOM 195 N LEU A 34 83.120 56.682 -0.455 1.00 0.00 N \n',
'ATOM 196 H LEU A 34 82.455 57.023 -0.533 1.00 0.00 H \n',
'ATOM 197 CA LEU A 34 84.125 57.335 -1.312 1.00 0.00 C \n',
'ATOM 198 C LEU A 34 85.105 58.207 -0.633 1.00 0.00 C \n',
'ATOM 199 O LEU A 34 86.161 57.988 -0.714 1.00 0.00 O \n',
'ATOM 200 CB LEU A 34 83.668 58.075 -2.530 1.00 0.00 B \n',
'ATOM 201 N GLU A 35 84.724 59.194 0.032 1.00 0.00 N \n',
'ATOM 202 H GLU A 35 83.876 59.373 0.097 1.00 0.00 H \n',
'ATOM 203 CA GLU A 35 85.512 60.149 0.757 1.00 0.00 C \n',
'ATOM 204 C GLU A 35 86.579 60.890 -0.059 1.00 0.00 C \n',
'ATOM 205 O GLU A 35 87.758 60.790 0.239 1.00 0.00 O \n',
'ATOM 206 CB GLU A 35 86.471 59.133 1.792 1.00 0.00 B \n',
'ATOM 207 N ASN A 36 86.128 61.632 -1.091 1.00 0.00 N \n',
'ATOM 208 H ASN A 36 85.180 61.715 -1.332 1.00 0.00 H \n',
'ATOM 209 CA ASN A 36 86.979 62.425 -2.008 1.00 0.00 C \n',
'ATOM 210 C ASN A 36 87.621 63.730 -1.533 1.00 0.00 C \n',
'ATOM 211 O ASN A 36 87.295 64.320 -0.415 1.00 0.00 O \n',
'ATOM 212 CB ASN A 36 86.537 62.507 -3.439 1.00 0.00 B \n',
'ATOM 213 N GLY A 37 88.537 64.158 -2.416 1.00 0.00 N \n',
'ATOM 214 H GLY A 37 88.803 63.685 -3.318 1.00 0.00 H \n',
'ATOM 215 CA GLY A 37 89.274 65.389 -2.165 1.00 0.00 C \n',
'ATOM 216 C GLY A 37 89.707 65.242 -0.685 1.00 0.00 C \n',
'ATOM 217 O GLY A 37 90.676 65.879 -0.159 1.00 0.00 O \n',
'ATOM 218 N LYS A 38 88.962 64.391 -0.039 1.00 0.00 N \n',
'ATOM 219 H LYS A 38 88.183 63.881 -0.462 1.00 0.00 H \n',
'ATOM 220 CA LYS A 38 89.198 64.098 1.391 1.00 0.00 C \n',
'ATOM 221 C LYS A 38 90.604 64.564 1.827 1.00 0.00 C \n',
'ATOM 222 O LYS A 38 91.038 64.360 2.928 1.00 0.00 O \n',
'ATOM 223 CB LYS A 38 88.963 62.642 1.616 1.00 0.00 B \n',
'ATOM 224 N THR A 39 91.295 65.194 0.934 1.00 0.00 N \n',
'ATOM 225 H THR A 39 90.949 65.361 0.047 1.00 0.00 H \n',
'ATOM 226 CA THR A 39 92.664 65.723 1.149 1.00 0.00 C \n',
'ATOM 227 C THR A 39 92.778 67.207 1.265 1.00 0.00 C \n',
'ATOM 228 O THR A 39 92.519 67.805 2.275 1.00 0.00 O \n',
'ATOM 229 CB THR A 39 93.725 65.230 0.174 1.00 0.00 B \n',
'ATOM 230 N LYS A 40 93.173 67.775 0.205 1.00 0.00 N \n',
'ATOM 231 H LYS A 40 93.386 67.295 -0.609 1.00 0.00 H \n',
'ATOM 232 CA LYS A 40 93.346 69.190 0.106 1.00 0.00 C \n',
'ATOM 233 C LYS A 40 94.128 69.820 1.253 1.00 0.00 C \n',
'ATOM 234 O LYS A 40 93.862 70.872 1.701 1.00 0.00 O \n',
'ATOM 235 CB LYS A 40 92.072 70.127 0.040 1.00 0.00 B \n',
'ATOM 236 N ARG A 41 95.094 69.146 1.706 1.00 0.00 N \n',
'ATOM 237 H ARG A 41 95.312 68.300 1.345 1.00 0.00 H \n',
'ATOM 238 CA ARG A 41 95.965 69.570 2.804 1.00 0.00 C \n',
'ATOM 239 C ARG A 41 96.998 68.625 3.327 1.00 0.00 C \n',
'ATOM 240 O ARG A 41 97.107 68.442 4.453 1.00 0.00 O \n',
'ATOM 241 CB ARG A 41 95.345 70.479 3.797 1.00 0.00 B \n',
'ATOM 242 N PRO A 42 97.747 68.041 2.478 1.00 0.00 N \n',
'ATOM 243 CA PRO A 42 98.797 67.094 2.777 1.00 0.00 C \n',
'ATOM 244 C PRO A 42 99.969 67.948 3.575 1.00 0.00 C \n',
'ATOM 245 O PRO A 42 101.061 67.518 3.978 1.00 0.00 O \n',
'ATOM 246 CB PRO A 42 99.609 66.450 1.469 1.00 0.00 B \n',
'ATOM 247 N ARG A 43 99.708 69.162 3.786 1.00 0.00 N \n',
'ATOM 248 H ARG A 43 98.831 69.511 3.461 1.00 0.00 H \n',
'ATOM 249 CA ARG A 43 100.688 70.144 4.531 1.00 0.00 C \n',
'ATOM 250 C ARG A 43 102.014 70.094 3.956 1.00 0.00 C \n',
'ATOM 251 O ARG A 43 102.753 70.517 4.489 1.00 0.00 O \n',
'ATOM 252 CB ARG A 43 100.388 70.251 5.923 1.00 0.00 B \n',
'ATOM 253 N PHE A 44 102.287 69.570 2.860 1.00 0.00 N \n',
'ATOM 254 H PHE A 44 101.695 69.232 2.431 1.00 0.00 H \n',
'ATOM 255 CA PHE A 44 103.505 69.424 2.145 1.00 0.00 C \n',
'ATOM 256 C PHE A 44 103.642 70.551 1.145 1.00 0.00 C \n',
'ATOM 257 O PHE A 44 104.680 70.641 0.343 1.00 0.00 O \n',
...]
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