AMBER: problem with protein ligand complex

From: Claire Zerafa <cporteli.waldonet.net.mt>
Date: Sat, 16 Jul 2005 18:31:56 +0200

hello all,

i am using amber for the first time, and I am trying to model a protein ligand complex in xleap- specifically to generate .prmtop and .inpcrd files. I have prepared .prepin and .frcmod files, and read the complex into xleap with no errors I could see.

I proceeded within xleap as follows (here is console)

Welcome to LEaP!
Sourcing: /usr/local/amber8/dat/leap/cmd/leaprc.ff99
Log file: ./leap.log
Loading parameters: /usr/local/amber8/dat/leap/parm/parm99.dat
Loading library: /usr/local/amber8/dat/leap/lib/all_nucleic94.lib
Loading library: /usr/local/amber8/dat/leap/lib/all_amino94.lib
Loading library: /usr/local/amber8/dat/leap/lib/all_aminoct94.lib
Loading library: /usr/local/amber8/dat/leap/lib/all_aminont94.lib
Loading library: /usr/local/amber8/dat/leap/lib/ions94.lib
Loading library: /usr/local/amber8/dat/leap/lib/solvents.lib
> source leaprc.gaff
----- Source: /usr/local/amber8/dat/leap/cmd/leaprc.gaff
----- Source of /usr/local/amber8/dat/leap/cmd/leaprc.gaff done
Log file: ./leap.log
Loading parameters: /usr/local/amber8/dat/leap/parm/gaff.dat
> loadamberprep /usr/people/claire/AMBER_FILES/metribolone1.prepin
Loading Prep file: /usr/people/claire/AMBER_FILES/metribolone1.prepin
> loadamberparams /usr/people/claire/AMBER_FILES/metribolone1.frcmod
Loading parameters: /usr/people/claire/AMBER_FILES/metribolone1.frcmod
Reading force field mod type file (frcmod)
> edit METRIBOLONE_DOCKED
Creating a new, empty UNIT "METRIBOLONE_DOCKED"
> disulfide
ERROR: Syntax error

> METRIBOLONE_DOCKED=loadpdb
"/usr/people/claire/AMBER_FILES/1e3g_docked1_gaff.pdb"
Loading PDB file: /usr/people/claire/AMBER_FILES/1e3g_docked1_gaff.pdb
  total atoms in file: 2115
  Leap added 2116 missing atoms according to residue templates:
       2116 H / lone pairs
> crosslink METRIBOLONE_DOCKED.1 connect2 METRIBOLONE_DOCKED.176 connect2
> saveamberparm METRIBOLONE_DOCKED
/usr/people/claire/AMBER_FILES/1e3g_metribolone_docked.prmtop
/usr/people/claire/AMBER_FILES/1e3g_metribolone_docked.inpcrd
Checking Unit.
WARNING: The unperturbed charge of the unit: 4.999990 is not zero.

 -- ignoring the warning.

Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
Building improper torsion parameters.
old PREP-specified impropers:
 <R 277>: C3 C5 C4 H5
 <R 277>: C2 C4 C3 O83
 <R 277>: C1 C9 C10 C5
 <R 277>: C6 C4 C5 C10
 <R 277>: C8 C11 C9 C10
 <R 277>: C12 C9 C11 H11
 <R 277>: C13 C11 C12 H12
 total 833 improper torsions applied
 7 improper torsions in old prep form
Building H-Bond parameters.
Not Marking per-residue atom chain types.
Marking per-residue atom chain types.
  (Residues lacking connect0/connect1 -
   these don't have chain types marked:

    res total affected

    CTHR 1
    NCYX 1
    WAT 26
  )
 (no restraints)
>


the prmtop and inpcrd files generate incompletely is they have that funny round icon on the SGI. Also, the residues- CTHR, NCYX and WAT above do not feature in the pdb file, the .prepin file or the frcmod file, so i dont know where they come from. Below are pdb, .frcmod and ..prepin files.

I am very stuck, and would appreciate some help.
THANKS!!!

Claire Shoemake
University of Malta

PDB FILE



HEADER
DOCKED
COMPND
DOCKED
REMARK GENERATED BY SYBYL (TRIPOS, INC.)
02-JUL-05
SEQRES 1 250 CYX GLN PRO ILE PHE LEU ASN VAL LEU GLU ALA ILE
GLU
SEQRES 2 250 PRO GLY VAL VAL CYS ALA GLY HIS ASP ASN ASN GLN
PRO
SEQRES 3 250 ASP SER PHE ALA ALA LEU LEU SER SER LEU ASN GLU
LEU
SEQRES 4 250 GLY GLU ARG GLN LEU VAL HIS VAL VAL LYS TRP ALA
LYS
SEQRES 5 250 ALA LEU PRO GLY PHE ARG ASN LEU HIS VAL ASP ASP
GLN
SEQRES 6 250 MET ALA VAL ILE GLN TYR SER TRP MET GLY LEU MET
VAL
SEQRES 7 250 PHE ALA MET GLY TRP ARG SER PHE THR ASN VAL ASN
SER
SEQRES 8 250 ARG MET LEU TYR PHE ALA PRO ASP LEU VAL PHE ASN
GLU
SEQRES 9 250 TYR ARG MET HIS LYS SER ARG MET TYR SER GLN CYS
VAL
SEQRES 10 250 ARG MET ARG HIS LEU SER GLN GLU PHE GLY TRP LEU
GLN
SEQRES 11 250 ILE THR PRO GLN GLU PHE LEU CYS MET LYS ALA LEU
LEU
SEQRES 12 250 LEU PHE SER ILE ILE PRO VAL ASP GLY LEU LYS ASN
GLN
SEQRES 13 250 LYS PHE PHE ASP GLU LEU ARG MET ASN TYR ILE LYS
GLU
SEQRES 14 250 LEU ASP ARG ILE ILE ALA CYX LYS ARG LYS ASN PRO
THR
SEQRES 15 250 SER CYS SER ARG ARG PHE TYR GLN LEU THR LYS LEU
LEU
SEQRES 16 250 ASP SER VAL GLN PRO ILE ALA ARG GLU LEU HIS GLN
PHE
SEQRES 17 250 THR PHE ASP LEU LEU ILE LYS SER HIS MET VAL SER
VAL
SEQRES 18 250 ASP PHE PRO GLU MET MET ALA GLU ILE ILE SER VAL
GLN
SEQRES 19 250 VAL PRO LYS ILE LEU SER GLY LYS VAL LYS PRO ILE
TYR
SEQRES 20 250 PHE HIS
THR
ATOM 1 N CYX 1 22.921 9.448 24.884 1.00
77.12
ATOM 2 CA CYX 1 22.859 9.723 23.414 1.00
86.87
ATOM 3 C CYX 1 21.892 8.793 22.633 1.00
86.11
ATOM 4 O CYX 1 22.074 8.565 21.427 1.00
77.81
ATOM 5 CB CYX 1 24.276 9.675 22.802 1.00
88.59
ATOM 6 SG CYX 1 24.838 11.217 21.992 1.00
94.18
ATOM 7 N GLN 2 20.835 8.318 23.308 1.00
87.01
ATOM 8 CA GLN 2 19.841 7.405 22.705 1.00
89.27
ATOM 9 C GLN 2 18.731 8.155 21.935 1.00
86.82
ATOM 10 O GLN 2 18.184 9.157 22.427 1.00
85.28
ATOM 11 CB GLN 2 19.222 6.498 23.792 1.00
93.96
ATOM 12 CG GLN 2 18.335 5.330 23.282 1.00
90.90
ATOM 13 CD GLN 2 18.946 3.972 23.548 1.00
89.73
ATOM 14 OE1 GLN 2 19.840 3.532 22.833 1.00
86.20
ATOM 15 NE2 GLN 2 18.456 3.297 24.575 1.00
91.02
ATOM 16 N PRO 3 18.312 7.612 20.764 1.00
82.62
ATOM 17 CA PRO 3 17.273 8.224 19.921 1.00
76.72
ATOM 18 C PRO 3 15.795 8.270 20.367 1.00
71.10
ATOM 19 O PRO 3 14.933 8.452 19.508 1.00
75.36
ATOM 20 CB PRO 3 17.414 7.449 18.599 1.00
73.17
ATOM 21 CG PRO 3 17.777 6.058 19.076 1.00
75.93
ATOM 22 CD PRO 3 18.835 6.381 20.127 1.00
80.30
ATOM 23 N ILE 4 15.473 8.187 21.661 1.00
59.44
ATOM 24 CA ILE 4 14.045 8.210 22.043 1.00
57.16
ATOM 25 C ILE 4 13.232 9.465 21.682 1.00
59.85
ATOM 26 O ILE 4 12.069 9.358 21.234 1.00
54.31
ATOM 27 CB ILE 4 13.792 7.852 23.525 1.00
54.74
ATOM 28 CG1 ILE 4 12.353 8.234 23.892 1.00
47.09
ATOM 29 CG2 ILE 4 14.835 8.496 24.426 1.00
64.17
ATOM 30 CD1 ILE 4 11.963 7.922 25.277 1.00
56.37
ATOM 31 N PHE 5 13.834 10.642 21.885 1.00
61.01
ATOM 32 CA PHE 5 13.167 11.909 21.583 1.00
53.54
ATOM 33 C PHE 5 12.960 12.039 20.068 1.00
44.47
ATOM 34 O PHE 5 11.858 12.376 19.585 1.00
38.12
ATOM 35 CB PHE 5 13.980 13.095 22.129 1.00
55.20
ATOM 36 CG PHE 5 13.247 14.403 22.055 1.00
54.87
ATOM 37 CD1 PHE 5 12.248 14.703 22.976 1.00
54.05
ATOM 38 CD2 PHE 5 13.491 15.292 21.017 1.00
47.32
ATOM 39 CE1 PHE 5 11.500 15.858 22.860 1.00
53.41
ATOM 40 CE2 PHE 5 12.749 16.448 20.897 1.00
49.17
ATOM 41 CZ PHE 5 11.749 16.730 21.816 1.00
53.29
ATOM 42 N LEU 6 14.023 11.743 19.327 1.00
36.26
ATOM 43 CA LEU 6 13.976 11.789 17.882 1.00
38.85
ATOM 44 C LEU 6 12.919 10.866 17.273 1.00
38.35
ATOM 45 O LEU 6 12.254 11.238 16.300 1.00
39.82
ATOM 46 CB LEU 6 15.358 11.487 17.303 1.00
45.56
ATOM 47 CG LEU 6 16.279 12.708 17.252 1.00
49.73
ATOM 48 CD1 LEU 6 17.687 12.339 16.760 1.00
48.00
ATOM 49 CD2 LEU 6 15.638 13.737 16.318 1.00
42.53
ATOM 50 N ASN 7 12.731 9.686 17.871 1.00
40.82
ATOM 51 CA ASN 7 11.744 8.705 17.370 1.00
41.39
ATOM 52 C ASN 7 10.374 9.297 17.456 1.00
39.61
ATOM 53 O ASN 7 9.527 9.092 16.568 1.00
33.60
ATOM 54 CB ASN 7 11.734 7.434 18.209 1.00
51.05
ATOM 55 CG ASN 7 13.008 6.648 18.091 1.00
55.02
ATOM 56 OD1 ASN 7 13.672 6.651 17.045 1.00
54.01
ATOM 57 ND2 ASN 7 13.370 5.971 19.166 1.00
60.08
ATOM 58 N VAL 8 10.159 10.022 18.551 1.00
37.88
ATOM 59 CA VAL 8 8.894 10.687 18.781 1.00
36.37
ATOM 60 C VAL 8 8.669 11.777 17.736 1.00
39.08
ATOM 61 O VAL 8 7.631 11.798 17.072 1.00
43.18
ATOM 62 CB VAL 8 8.821 11.336 20.153 1.00
36.30
ATOM 63 CG1 VAL 8 7.421 11.860 20.358 1.00
29.55
ATOM 64 CG2 VAL 8 9.187 10.341 21.236 1.00
30.15
ATOM 65 N LEU 9 9.637 12.667 17.547 1.00
38.08
ATOM 66 CA LEU 9 9.429 13.726 16.565 1.00
37.80
ATOM 67 C LEU 9 9.188 13.208 15.156 1.00
38.78
ATOM 68 O LEU 9 8.324 13.730 14.448 1.00
44.11
ATOM 69 CB LEU 9 10.571 14.726 16.574 1.00
34.97
ATOM 70 CG LEU 9 10.812 15.352 17.943 1.00
40.42
ATOM 71 CD1 LEU 9 11.862 16.404 17.760 1.00
35.87
ATOM 72 CD2 LEU 9 9.511 15.944 18.534 1.00
39.49
ATOM 73 N GLU 10 9.927 12.170 14.764 1.00
34.27
ATOM 74 CA GLU 10 9.788 11.576 13.433 1.00
33.68
ATOM 75 C GLU 10 8.502 10.791 13.361 1.00
31.24
ATOM 76 O GLU 10 7.837 10.730 12.318 1.00
29.04
ATOM 77 CB GLU 10 10.972 10.692 13.139 1.00
41.54
ATOM 78 CG GLU 10 12.250 11.475 13.231 1.00
62.50
ATOM 79 CD GLU 10 13.492 10.632 13.140 1.00
75.90
ATOM 80 OE1 GLU 10 13.382 9.393 13.275 1.00
81.73
ATOM 81 OE2 GLU 10 14.581 11.222 12.946 1.00
77.79
ATOM 82 N ALA 11 8.118 10.229 14.496 1.00
27.29
ATOM 83 CA ALA 11 6.878 9.486 14.561 1.00
31.51
ATOM 84 C ALA 11 5.658 10.400 14.416 1.00
37.88
ATOM 85 O ALA 11 4.657 10.013 13.784 1.00
39.80
ATOM 86 CB ALA 11 6.807 8.699 15.862 1.00
32.16
ATOM 87 N ILE 12 5.748 11.621 14.958 1.00
36.75
ATOM 88 CA ILE 12 4.623 12.567 14.893 1.00
33.51
ATOM 89 C ILE 12 4.603 13.553 13.732 1.00
29.78
ATOM 90 O ILE 12 3.560 14.137 13.425 1.00
35.01
ATOM 91 CB ILE 12 4.445 13.322 16.204 1.00
36.86
ATOM 92 CG1 ILE 12 5.672 14.178 16.493 1.00
39.01
ATOM 93 CG2 ILE 12 4.222 12.324 17.343 1.00
34.87
ATOM 94 CD1 ILE 12 5.503 15.046 17.719 1.00
38.54
ATOM 95 N GLU 13 5.732 13.677 13.044 1.00
31.29
ATOM 96 CA GLU 13 5.833 14.570 11.904 1.00
36.50
ATOM 97 C GLU 13 4.638 14.373 11.013 1.00
38.74
ATOM 98 O GLU 13 4.348 13.251 10.596 1.00
46.06
ATOM 99 CB GLU 13 7.101 14.285 11.106 1.00
33.49
ATOM 100 CG GLU 13 7.361 15.322 10.028 1.00
41.42
ATOM 101 CD GLU 13 7.500 16.742 10.581 1.00
49.46
ATOM 102 OE1 GLU 13 7.569 16.924 11.824 1.00
44.22
ATOM 103 OE2 GLU 13 7.527 17.687 9.759 1.00
52.12
ATOM 104 N PRO 14 3.892 15.446 10.751 1.00
41.06
ATOM 105 CA PRO 14 2.695 15.422 9.904 1.00
41.12
ATOM 106 C PRO 14 2.968 14.980 8.444 1.00
44.28
ATOM 107 O PRO 14 4.076 15.133 7.920 1.00
36.92
ATOM 108 CB PRO 14 2.214 16.870 9.965 1.00
43.30
ATOM 109 CG PRO 14 2.800 17.399 11.250 1.00
38.89
ATOM 110 CD PRO 14 4.159 16.800 11.261 1.00
39.59
ATOM 111 N GLY 15 1.943 14.446 7.788 1.00
48.21
ATOM 112 CA GLY 15 2.103 13.990 6.416 1.00
51.13
ATOM 113 C GLY 15 1.905 15.043 5.334 1.00
54.68
ATOM 114 O GLY 15 1.817 16.226 5.629 1.00
63.53
ATOM 115 N VAL 16 1.729 14.601 4.089 1.00
57.20
ATOM 116 CA VAL 16 1.544 15.505 2.959 1.00
54.91
ATOM 117 C VAL 16 0.123 16.048 2.952 1.00
54.45
ATOM 118 O VAL 16 -0.828 15.287 2.775 1.00
57.51
ATOM 119 CB VAL 16 1.805 14.792 1.625 1.00
51.72
ATOM 120 CG1 VAL 16 1.618 15.769 0.487 1.00
53.17
ATOM 121 CG2 VAL 16 3.222 14.212 1.591 1.00
53.92
ATOM 122 N VAL 17 -0.021 17.360 3.125 1.00
48.43
ATOM 123 CA VAL 17 -1.341 17.974 3.163 1.00
44.96
ATOM 124 C VAL 17 -1.603 18.758 1.887 1.00
46.69
ATOM 125 O VAL 17 -0.934 19.742 1.644 1.00
54.09
ATOM 126 CB VAL 17 -1.455 18.932 4.355 1.00
39.06
ATOM 127 CG1 VAL 17 -2.888 19.062 4.764 1.00
41.14
ATOM 128 CG2 VAL 17 -0.611 18.445 5.520 1.00
36.12
ATOM 129 N CYS 18 -2.582 18.340 1.087 1.00
51.49
ATOM 130 CA CYS 18 -2.921 19.015 -0.177 1.00
55.13
ATOM 131 C CYS 18 -3.830 20.266 -0.010 1.00
56.12
ATOM 132 O CYS 18 -4.856 20.208 0.681 1.00
54.29
ATOM 133 CB CYS 18 -3.559 18.009 -1.155 1.00
57.05
ATOM 134 SG CYS 18 -2.391 16.910 -2.025 1.00
65.52
ATOM 135 N ALA 19 -3.484 21.374 -0.681 1.00
54.36
ATOM 136 CA ALA 19 -4.248 22.631 -0.584 1.00
54.20
ATOM 137 C ALA 19 -5.583 22.542 -1.268 1.00
60.58
ATOM 138 O ALA 19 -6.557 23.131 -0.803 1.00
62.87
ATOM 139 CB ALA 19 -3.463 23.815 -1.168 1.00
49.21
ATOM 140 N GLY 20 -5.623 21.791 -2.366 1.00
67.12
ATOM 141 CA GLY 20 -6.847 21.650 -3.134 1.00
66.26
ATOM 142 C GLY 20 -6.948 22.874 -4.024 1.00
64.95
ATOM 143 O GLY 20 -7.888 23.676 -3.924 1.00
66.95
ATOM 144 N HIS 21 -5.951 23.042 -4.879 1.00
59.22
ATOM 145 CA HIS 21 -5.925 24.179 -5.769 1.00
54.36
ATOM 146 C HIS 21 -6.022 23.716 -7.220 1.00
59.75
ATOM 147 O HIS 21 -5.393 22.717 -7.602 1.00
62.11
ATOM 148 CB HIS 21 -4.650 24.977 -5.537 1.00
46.90
ATOM 149 CG HIS 21 -4.364 25.964 -6.617 1.00
52.16
ATOM 150 ND1 HIS 21 -5.104 27.116 -6.787 1.00
52.66
ATOM 151 CD2 HIS 21 -3.474 25.931 -7.633 1.00
58.89
ATOM 152 CE1 HIS 21 -4.683 27.750 -7.868 1.00
57.16
ATOM 153 NE2 HIS 21 -3.695 27.052 -8.402 1.00
60.29
ATOM 154 N ASP 22 -6.838 24.424 -8.011 1.00
60.46
ATOM 155 CA ASP 22 -7.021 24.108 -9.427 1.00
59.31
ATOM 156 C ASP 22 -5.835 24.583 -10.280 1.00
60.15
ATOM 157 O ASP 22 -5.739 25.752 -10.654 1.00
58.71
ATOM 158 CB ASP 22 -8.334 24.701 -9.949 1.00
60.31
ATOM 159 CG ASP 22 -8.762 24.107 -11.304 1.00
62.54
ATOM 160 OD1 ASP 22 -7.904 23.586 -12.054 1.00
54.14
ATOM 161 OD2 ASP 22 -9.970 24.166 -11.620 1.00
59.85
ATOM 162 N ASN 23 -4.925 23.657 -10.564 1.00
66.30
ATOM 163 CA ASN 23 -3.736 23.940 -11.369 1.00
71.61
ATOM 164 C ASN 23 -4.037 23.857 -12.868 1.00
73.70
ATOM 165 O ASN 23 -3.121 23.715 -13.682 1.00
81.27
ATOM 166 CB ASN 23 -2.581 22.971 -11.016 1.00
72.66
ATOM 167 CG ASN 23 -1.672 23.506 -9.923 1.00
72.16
ATOM 168 OD1 ASN 23 -1.697 24.697 -9.600 1.00
74.90
ATOM 169 ND2 ASN 23 -0.845 22.633 -9.365 1.00
72.55
ATOM 170 N ASN 24 -5.317 23.908 -13.227 1.00
70.75
ATOM 171 CA ASN 24 -5.705 23.851 -14.632 1.00
69.77
ATOM 172 C ASN 24 -6.467 25.131 -14.982 1.00
66.04
ATOM 173 O ASN 24 -6.986 25.257 -16.087 1.00
65.61
ATOM 174 CB ASN 24 -6.551 22.600 -14.958 1.00
68.43
ATOM 175 CG ASN 24 -6.019 21.331 -14.307 1.00
63.97
ATOM 176 OD1 ASN 24 -5.501 20.438 -14.972 1.00
65.30
ATOM 177 ND2 ASN 24 -6.184 21.240 -12.993 1.00
65.24
ATOM 178 N GLN 25 -6.597 26.035 -14.005 1.00
67.69
ATOM 179 CA GLN 25 -7.255 27.340 -14.196 1.00
71.99
ATOM 180 C GLN 25 -6.171 28.429 -14.199 1.00
74.61
ATOM 181 O GLN 25 -5.230 28.359 -13.413 1.00
73.58
ATOM 182 CB GLN 25 -8.279 27.647 -13.084 1.00
68.47
ATOM 183 CG GLN 25 -9.575 26.819 -13.134 1.00
72.04
ATOM 184 CD GLN 25 -10.172 26.661 -14.540 1.00
75.91
ATOM 185 OE1 GLN 25 -9.955 27.497 -15.423 1.00
85.37
ATOM 186 NE2 GLN 25 -10.936 25.592 -14.745 1.00
70.58
ATOM 187 N PRO 26 -6.285 29.438 -15.091 1.00
81.70
ATOM 188 CA PRO 26 -5.302 30.531 -15.181 1.00
80.62
ATOM 189 C PRO 26 -5.118 31.249 -13.856 1.00
77.25
ATOM 190 O PRO 26 -6.106 31.640 -13.206 1.00
74.33
ATOM 191 CB PRO 26 -5.911 31.458 -16.243 1.00
85.84
ATOM 192 CG PRO 26 -7.421 31.170 -16.151 1.00
89.04
ATOM 193 CD PRO 26 -7.398 29.662 -16.034 1.00
87.17
ATOM 194 N ASP 27 -3.849 31.467 -13.496 1.00
76.00
ATOM 195 CA ASP 27 -3.494 32.117 -12.237 1.00
63.22
ATOM 196 C ASP 27 -4.294 33.356 -11.942 1.00
56.02
ATOM 197 O ASP 27 -4.859 33.997 -12.842 1.00
56.35
ATOM 198 CB ASP 27 -1.995 32.405 -12.153 1.00
63.70
ATOM 199 CG ASP 27 -1.190 31.192 -11.684 1.00
66.50
ATOM 200 OD1 ASP 27 -1.523 30.627 -10.617 1.00
66.69
ATOM 201 OD2 ASP 27 -0.217 30.802 -12.377 1.00
71.13
ATOM 202 N SER 28 -4.338 33.694 -10.666 1.00
56.40
ATOM 203 CA SER 28 -5.093 34.839 -10.214 1.00
56.56
ATOM 204 C SER 28 -4.690 35.191 -8.788 1.00
61.68
ATOM 205 O SER 28 -4.326 34.319 -7.993 1.00
69.36
ATOM 206 CB SER 28 -6.587 34.510 -10.289 1.00
54.32
ATOM 207 OG SER 28 -7.365 35.473 -9.604 1.00
54.41
ATOM 208 N PHE 29 -4.754 36.477 -8.474 1.00
61.93
ATOM 209 CA PHE 29 -4.412 36.974 -7.153 1.00
61.05
ATOM 210 C PHE 29 -5.344 36.448 -6.037 1.00
61.34
ATOM 211 O PHE 29 -4.881 36.053 -4.971 1.00
62.55
ATOM 212 CB PHE 29 -4.413 38.509 -7.195 1.00
63.27
ATOM 213 CG PHE 29 -4.961 39.156 -5.951 1.00
60.53
ATOM 214 CD1 PHE 29 -4.142 39.397 -4.856 1.00
65.55
ATOM 215 CD2 PHE 29 -6.306 39.484 -5.864 1.00
61.74
ATOM 216 CE1 PHE 29 -4.651 39.950 -3.691 1.00
63.81
ATOM 217 CE2 PHE 29 -6.825 40.034 -4.710 1.00
66.91
ATOM 218 CZ PHE 29 -5.994 40.267 -3.617 1.00
69.41
ATOM 219 N ALA 30 -6.653 36.464 -6.261 1.00
58.96
ATOM 220 CA ALA 30 -7.577 35.996 -5.230 1.00
59.58
ATOM 221 C ALA 30 -7.653 34.467 -5.143 1.00
61.20
ATOM 222 O ALA 30 -7.862 33.913 -4.063 1.00
64.62
ATOM 223 CB ALA 30 -8.965 36.589 -5.448 1.00
56.65
ATOM 224 N ALA 31 -7.492 33.783 -6.272 1.00
58.65
ATOM 225 CA ALA 31 -7.555 32.328 -6.270 1.00
57.39
ATOM 226 C ALA 31 -6.290 31.748 -5.616 1.00
54.55
ATOM 227 O ALA 31 -6.349 30.708 -4.951 1.00
57.04
ATOM 228 CB ALA 31 -7.749 31.791 -7.694 1.00
58.30
ATOM 229 N LEU 32 -5.155 32.423 -5.786 1.00
44.77
ATOM 230 CA LEU 32 -3.921 31.956 -5.181 1.00
40.04
ATOM 231 C LEU 32 -3.983 32.180 -3.667 1.00
40.02
ATOM 232 O LEU 32 -3.737 31.256 -2.893 1.00
42.09
ATOM 233 CB LEU 32 -2.709 32.661 -5.800 1.00
40.84
ATOM 234 CG LEU 32 -2.369 32.286 -7.251 1.00
47.93
ATOM 235 CD1 LEU 32 -1.195 33.092 -7.751 1.00
52.49
ATOM 236 CD2 LEU 32 -2.035 30.824 -7.337 1.00
41.70
ATOM 237 N LEU 33 -4.384 33.375 -3.238 1.00
38.79
ATOM 238 CA LEU 33 -4.468 33.679 -1.808 1.00
40.37
ATOM 239 C LEU 33 -5.548 32.917 -1.024 1.00
45.30
ATOM 240 O LEU 33 -5.305 32.557 0.128 1.00
45.13
ATOM 241 CB LEU 33 -4.545 35.190 -1.561 1.00
37.85
ATOM 242 CG LEU 33 -3.253 35.971 -1.868 1.00
41.30
ATOM 243 CD1 LEU 33 -3.479 37.426 -1.612 1.00
41.50
ATOM 244 CD2 LEU 33 -2.070 35.506 -1.025 1.00
35.31
ATOM 245 N SER 34 -6.719 32.678 -1.633 1.00
52.36
ATOM 246 CA SER 34 -7.822 31.899 -1.013 1.00
54.37
ATOM 247 C SER 34 -7.388 30.433 -0.783 1.00
51.62
ATOM 248 O SER 34 -7.740 29.806 0.234 1.00
45.03
ATOM 249 CB SER 34 -9.060 31.920 -1.914 1.00
50.95
ATOM 250 OG SER 34 -9.500 33.246 -2.101 1.00
50.66
ATOM 251 N SER 35 -6.649 29.890 -1.756 1.00
49.24
ATOM 252 CA SER 35 -6.119 28.536 -1.660 1.00
46.51
ATOM 253 C SER 35 -5.101 28.504 -0.528 1.00
46.34
ATOM 254 O SER 35 -5.141 27.597 0.293 1.00
52.79
ATOM 255 CB SER 35 -5.442 28.115 -2.956 1.00
37.23
ATOM 256 OG SER 35 -6.388 28.080 -4.005 1.00
45.32
ATOM 257 N LEU 36 -4.215 29.501 -0.459 1.00
40.74
ATOM 258 CA LEU 36 -3.227 29.548 0.618 1.00
36.98
ATOM 259 C LEU 36 -3.902 29.552 1.984 1.00
41.66
ATOM 260 O LEU 36 -3.389 28.951 2.920 1.00
45.02
ATOM 261 CB LEU 36 -2.302 30.751 0.485 1.00
30.44
ATOM 262 CG LEU 36 -0.994 30.563 -0.291 1.00
35.89
ATOM 263 CD1 LEU 36 -0.235 31.859 -0.308 1.00
36.89
ATOM 264 CD2 LEU 36 -0.115 29.484 0.307 1.00
37.91
ATOM 265 N ASN 37 -5.061 30.208 2.076 1.00
45.16
ATOM 266 CA ASN 37 -5.849 30.289 3.311 1.00
43.35
ATOM 267 C ASN 37 -6.521 28.962 3.618 1.00
42.54
ATOM 268 O ASN 37 -6.677 28.594 4.779 1.00
40.34
ATOM 269 CB ASN 37 -6.934 31.370 3.201 1.00
44.83
ATOM 270 CG ASN 37 -6.362 32.771 3.137 1.00
43.71
ATOM 271 OD1 ASN 37 -5.197 32.992 3.470 1.00
48.81
ATOM 272 ND2 ASN 37 -7.176 33.726 2.694 1.00
38.59
ATOM 273 N GLU 38 -6.991 28.269 2.591 1.00
42.62
ATOM 274 CA GLU 38 -7.607 26.987 2.842 1.00
44.02
ATOM 275 C GLU 38 -6.478 26.033 3.261 1.00
42.46
ATOM 276 O GLU 38 -6.639 25.253 4.195 1.00
42.70
ATOM 277 CB GLU 38 -8.352 26.472 1.621 1.00
45.19
ATOM 278 CG GLU 38 -9.322 25.338 1.971 1.00
55.97
ATOM 279 CD GLU 38 -10.417 25.735 2.986 1.00
58.77
ATOM 280 OE1 GLU 38 -11.019 26.817 2.838 1.00
60.87
ATOM 281 OE2 GLU 38 -10.707 24.945 3.918 1.00
60.16
ATOM 282 N LEU 39 -5.307 26.167 2.636 1.00
38.31
ATOM 283 CA LEU 39 -4.152 25.342 2.982 1.00
37.96
ATOM 284 C LEU 39 -3.767 25.654 4.431 1.00
44.27
ATOM 285 O LEU 39 -3.464 24.747 5.211 1.00
51.41
ATOM 286 CB LEU 39 -2.958 25.608 2.046 1.00
35.41
ATOM 287 CG LEU 39 -1.651 24.872 2.392 1.00
35.71
ATOM 288 CD1 LEU 39 -1.895 23.385 2.326 1.00
38.82
ATOM 289 CD2 LEU 39 -0.518 25.239 1.459 1.00
33.25
ATOM 290 N GLY 40 -3.782 26.938 4.787 1.00
45.88
ATOM 291 CA GLY 40 -3.463 27.344 6.144 1.00
40.92
ATOM 292 C GLY 40 -4.386 26.618 7.096 1.00
39.05
ATOM 293 O GLY 40 -3.937 25.851 7.924 1.00
45.81
ATOM 294 N GLU 41 -5.685 26.790 6.913 1.00
46.04
ATOM 295 CA GLU 41 -6.680 26.125 7.758 1.00
51.25
ATOM 296 C GLU 41 -6.367 24.637 7.975 1.00
51.93
ATOM 297 O GLU 41 -6.213 24.197 9.107 1.00
56.39
ATOM 298 CB GLU 41 -8.079 26.273 7.151 1.00
56.56
ATOM 299 CG GLU 41 -9.198 25.652 7.984 1.00
63.02
ATOM 300 CD GLU 41 -9.766 26.593 9.042 1.00
64.61
ATOM 301 OE1 GLU 41 -9.157 27.641 9.338 1.00
66.14
ATOM 302 OE2 GLU 41 -10.855 26.293 9.573 1.00
65.41
ATOM 303 N ARG 42 -6.235 23.864 6.901 1.00
53.43
ATOM 304 CA ARG 42 -5.938 22.440 7.058 1.00
50.19
ATOM 305 C ARG 42 -4.617 22.102 7.735 1.00
44.91
ATOM 306 O ARG 42 -4.522 21.061 8.396 1.00
43.38
ATOM 307 CB ARG 42 -6.032 21.652 5.747 1.00
56.69
ATOM 308 CG ARG 42 -6.192 22.446 4.493 1.00
59.66
ATOM 309 CD ARG 42 -7.462 22.035 3.786 1.00
59.37
ATOM 310 NE ARG 42 -7.203 21.172 2.643 1.00
58.69
ATOM 311 CZ ARG 42 -8.124 20.857 1.736 1.00
70.01
ATOM 312 NH1 ARG 42 -9.364 21.349 1.854 1.00
75.20
ATOM 313 NH2 ARG 42 -7.812 20.057 0.713 1.00
65.26
ATOM 314 N GLN 43 -3.596 22.939 7.556 1.00
40.11
ATOM 315 CA GLN 43 -2.310 22.685 8.189 1.00
34.69
ATOM 316 C GLN 43 -2.355 23.007 9.653 1.00
36.60
ATOM 317 O GLN 43 -1.501 22.557 10.408 1.00
40.79
ATOM 318 CB GLN 43 -1.194 23.478 7.542 1.00
42.15
ATOM 319 CG GLN 43 -0.753 22.877 6.244 1.00
43.03
ATOM 320 CD GLN 43 0.553 23.442 5.779 1.00
44.24
ATOM 321 OE1 GLN 43 1.321 23.988 6.567 1.00
54.32
ATOM 322 NE2 GLN 43 0.828 23.305 4.496 1.00
52.33
ATOM 323 N LEU 44 -3.361 23.778 10.054 1.00
41.25
ATOM 324 CA LEU 44 -3.561 24.163 11.457 1.00
43.47
ATOM 325 C LEU 44 -4.061 22.938 12.222 1.00
45.20
ATOM 326 O LEU 44 -3.595 22.628 13.320 1.00
46.51
ATOM 327 CB LEU 44 -4.585 25.295 11.550 1.00
42.08
ATOM 328 CG LEU 44 -4.829 25.943 12.905 1.00
45.04
ATOM 329 CD1 LEU 44 -3.489 26.199 13.594 1.00
48.18
ATOM 330 CD2 LEU 44 -5.610 27.248 12.711 1.00
44.32
ATOM 331 N VAL 45 -5.014 22.240 11.623 1.00
42.76
ATOM 332 CA VAL 45 -5.555 21.026 12.198 1.00
41.99
ATOM 333 C VAL 45 -4.383 20.100 12.562 1.00
45.10
ATOM 334 O VAL 45 -4.275 19.646 13.703 1.00
45.64
ATOM 335 CB VAL 45 -6.480 20.348 11.170 1.00
43.85
ATOM 336 CG1 VAL 45 -6.887 18.953 11.628 1.00
52.59
ATOM 337 CG2 VAL 45 -7.708 21.203 10.966 1.00
42.38
ATOM 338 N HIS 46 -3.471 19.905 11.604 1.00
46.35
ATOM 339 CA HIS 46 -2.286 19.044 11.767 1.00
45.95
ATOM 340 C HIS 46 -1.379 19.495 12.857 1.00
43.82
ATOM 341 O HIS 46 -0.798 18.674 13.571 1.00
48.61
ATOM 342 CB HIS 46 -1.458 18.971 10.487 1.00
49.61
ATOM 343 CG HIS 46 -1.950 17.947 9.519 1.00
62.09
ATOM 344 ND1 HIS 46 -3.157 18.058 8.873 1.00
63.02
ATOM 345 CD2 HIS 46 -1.404 16.778 9.108 1.00
64.82
ATOM 346 CE1 HIS 46 -3.340 17.005 8.100 1.00
70.96
ATOM 347 NE2 HIS 46 -2.291 16.211 8.219 1.00
70.54
ATOM 348 N VAL 47 -1.172 20.803 12.898 1.00
40.29
ATOM 349 CA VAL 47 -0.326 21.415 13.908 1.00
39.63
ATOM 350 C VAL 47 -0.962 21.201 15.273 1.00
36.62
ATOM 351 O VAL 47 -0.266 20.874 16.244 1.00
30.18
ATOM 352 CB VAL 47 -0.101 22.918 13.620 1.00
38.77
ATOM 353 CG1 VAL 47 0.500 23.617 14.820 1.00
30.17
ATOM 354 CG2 VAL 47 0.857 23.048 12.463 1.00
40.69
ATOM 355 N VAL 48 -2.286 21.329 15.331 1.00
28.64
ATOM 356 CA VAL 48 -2.994 21.113 16.570 1.00
28.84
ATOM 357 C VAL 48 -2.687 19.683 17.037 1.00
36.83
ATOM 358 O VAL 48 -2.078 19.485 18.092 1.00
36.70
ATOM 359 CB VAL 48 -4.508 21.331 16.403 1.00
34.61
ATOM 360 CG1 VAL 48 -5.239 20.839 17.647 1.00
29.84
ATOM 361 CG2 VAL 48 -4.805 22.811 16.185 1.00
32.32
ATOM 362 N LYS 49 -2.972 18.709 16.179 1.00
38.71
ATOM 363 CA LYS 49 -2.737 17.313 16.505 1.00
32.14
ATOM 364 C LYS 49 -1.263 16.990 16.699 1.00
32.82
ATOM 365 O LYS 49 -0.920 16.262 17.631 1.00
34.86
ATOM 366 CB LYS 49 -3.370 16.410 15.450 1.00
32.30
ATOM 367 CG LYS 49 -4.890 16.352 15.569 1.00
38.88
ATOM 368 CD LYS 49 -5.538 15.584 14.436 1.00
36.05
ATOM 369 CE LYS 49 -7.009 15.353 14.736 1.00
36.14
ATOM 370 NZ LYS 49 -7.739 14.704 13.619 1.00
35.32
ATOM 371 N TRP 50 -0.383 17.589 15.893 1.00
31.69
ATOM 372 CA TRP 50 1.058 17.319 16.010 1.00
34.84
ATOM 373 C TRP 50 1.604 17.753 17.367 1.00
44.15
ATOM 374 O TRP 50 2.347 17.014 18.020 1.00
48.94
ATOM 375 CB TRP 50 1.850 17.995 14.883 1.00
25.87
ATOM 376 CG TRP 50 3.343 18.092 15.136 1.00
25.59
ATOM 377 CD1 TRP 50 4.279 17.133 14.909 1.00
35.87
ATOM 378 CD2 TRP 50 4.055 19.232 15.641 1.00
30.45
ATOM 379 NE1 TRP 50 5.533 17.598 15.237 1.00
32.13
ATOM 380 CE2 TRP 50 5.419 18.889 15.689 1.00
30.51
ATOM 381 CE3 TRP 50 3.672 20.519 16.046 1.00
32.20
ATOM 382 CZ2 TRP 50 6.403 19.782 16.119 1.00
32.90
ATOM 383 CZ3 TRP 50 4.650 21.408 16.468 1.00
25.41
ATOM 384 CH2 TRP 50 5.997 21.036 16.503 1.00
28.69
ATOM 385 N ALA 51 1.242 18.973 17.764 1.00
56.34
ATOM 386 CA ALA 51 1.654 19.580 19.037 1.00
52.43
ATOM 387 C ALA 51 1.176 18.846 20.305 1.00
47.73
ATOM 388 O ALA 51 1.968 18.662 21.246 1.00
46.60
ATOM 389 CB ALA 51 1.214 21.043 19.073 1.00
48.46
ATOM 390 N LYS 52 -0.107 18.461 20.337 1.00
42.77
ATOM 391 CA LYS 52 -0.697 17.744 21.478 1.00
45.06
ATOM 392 C LYS 52 -0.019 16.386 21.772 1.00
47.46
ATOM 393 O LYS 52 -0.227 15.789 22.835 1.00
50.10
ATOM 394 CB LYS 52 -2.218 17.567 21.294 1.00
39.13
ATOM 395 CG LYS 52 -3.057 18.632 21.979 1.00
45.90
ATOM 396 CD LYS 52 -4.533 18.253 22.075 1.00
55.06
ATOM 397 CE LYS 52 -5.236 19.088 23.161 1.00
63.65
ATOM 398 NZ LYS 52 -6.668 18.719 23.402 1.00
62.72
ATOM 399 N ALA 53 0.810 15.926 20.842 1.00
40.80
ATOM 400 CA ALA 53 1.524 14.671 20.995 1.00
41.77
ATOM 401 C ALA 53 2.991 14.884 21.346 1.00
41.79
ATOM 402 O ALA 53 3.762 13.931 21.370 1.00
43.57
ATOM 403 CB ALA 53 1.410 13.840 19.710 1.00
45.25
ATOM 404 N LEU 54 3.382 16.131 21.585 1.00
40.71
ATOM 405 CA LEU 54 4.764 16.438 21.927 1.00
34.69
ATOM 406 C LEU 54 5.115 16.085 23.369 1.00
33.82
ATOM 407 O LEU 54 4.301 16.249 24.281 1.00
34.39
ATOM 408 CB LEU 54 5.058 17.911 21.665 1.00
32.26
ATOM 409 CG LEU 54 5.357 18.244 20.218 1.00
33.93
ATOM 410 CD1 LEU 54 5.226 19.728 20.021 1.00
43.98
ATOM 411 CD2 LEU 54 6.753 17.784 19.880 1.00
30.81
ATOM 412 N PRO 55 6.338 15.589 23.592 1.00
37.66
ATOM 413 CA PRO 55 6.820 15.209 24.917 1.00
35.69
ATOM 414 C PRO 55 6.724 16.368 25.893 1.00
39.06
ATOM 415 O PRO 55 7.512 17.304 25.833 1.00
39.26
ATOM 416 CB PRO 55 8.285 14.855 24.662 1.00
34.40
ATOM 417 CG PRO 55 8.272 14.339 23.283 1.00
36.44
ATOM 418 CD PRO 55 7.354 15.282 22.562 1.00
41.22
ATOM 419 N GLY 56 5.780 16.284 26.812 1.00
39.75
ATOM 420 CA GLY 56 5.652 17.336 27.794 1.00
34.24
ATOM 421 C GLY 56 4.544 18.311 27.480 1.00
36.36
ATOM 422 O GLY 56 3.911 18.837 28.398 1.00
37.90
ATOM 423 N PHE 57 4.212 18.465 26.201 1.00
32.86
ATOM 424 CA PHE 57 3.192 19.422 25.845 1.00
36.30
ATOM 425 C PHE 57 1.899 19.385 26.620 1.00
41.59
ATOM 426 O PHE 57 1.385 20.441 27.002 1.00
44.02
ATOM 427 CB PHE 57 2.842 19.365 24.383 1.00
32.46
ATOM 428 CG PHE 57 1.928 20.474 23.958 1.00
37.13
ATOM 429 CD1 PHE 57 2.453 21.687 23.542 1.00
37.70
ATOM 430 CD2 PHE 57 0.544 20.302 23.948 1.00
39.17
ATOM 431 CE1 PHE 57 1.618 22.717 23.107 1.00
36.54
ATOM 432 CE2 PHE 57 -0.308 21.331 23.513 1.00
39.69
ATOM 433 CZ PHE 57 0.233 22.540 23.089 1.00
42.41
ATOM 434 N ARG 58 1.335 18.189 26.791 1.00
49.80
ATOM 435 CA ARG 58 0.050 18.042 27.489 1.00
49.46
ATOM 436 C ARG 58 0.057 18.304 28.995 1.00
52.43
ATOM 437 O ARG 58 -0.978 18.139 29.644 1.00
52.56
ATOM 438 CB ARG 58 -0.652 16.709 27.154 1.00
44.05
ATOM 439 CG ARG 58 -1.692 16.821 26.023 1.00
44.55
ATOM 440 CD ARG 58 -2.598 15.606 26.003 1.00
48.35
ATOM 441 NE ARG 58 -3.771 15.752 25.130 1.00
56.42
ATOM 442 CZ ARG 58 -5.040 15.569 25.526 1.00
62.91
ATOM 443 NH1 ARG 58 -5.323 15.249 26.799 1.00
55.81
ATOM 444 NH2 ARG 58 -6.028 15.649 24.632 1.00
55.35
ATOM 445 N ASN 59 1.213 18.685 29.551 1.00
53.84
ATOM 446 CA ASN 59 1.292 19.018 30.969 1.00
58.03
ATOM 447 C ASN 59 1.026 20.528 31.138 1.00
61.72
ATOM 448 O ASN 59 0.723 20.993 32.248 1.00
65.35
ATOM 449 CB ASN 59 2.636 18.589 31.604 1.00
63.66
ATOM 450 CG ASN 59 3.777 19.597 31.388 1.00
67.51
ATOM 451 OD1 ASN 59 4.837 19.234 30.881 1.00
68.14
ATOM 452 ND2 ASN 59 3.606 20.828 31.864 1.00
73.64
ATOM 453 N LEU 60 1.190 21.288 30.047 1.00
59.72
ATOM 454 CA LEU 60 0.957 22.739 30.035 1.00
50.93
ATOM 455 C LEU 60 -0.520 23.033 30.227 1.00
47.17
ATOM 456 O LEU 60 -1.365 22.247 29.822 1.00
45.55
ATOM 457 CB LEU 60 1.369 23.348 28.695 1.00
54.70
ATOM 458 CG LEU 60 2.822 23.408 28.228 1.00
52.07
ATOM 459 CD1 LEU 60 2.808 24.029 26.844 1.00
45.38
ATOM 460 CD2 LEU 60 3.700 24.223 29.181 1.00
47.21
ATOM 461 N HIS 61 -0.841 24.201 30.763 1.00
45.54
ATOM 462 CA HIS 61 -2.231 24.530 30.986 1.00
44.10
ATOM 463 C HIS 61 -2.972 24.559 29.655 1.00
40.23
ATOM 464 O HIS 61 -2.421 24.976 28.658 1.00
44.09
ATOM 465 CB HIS 61 -2.328 25.851 31.716 1.00
54.55
ATOM 466 CG HIS 61 -3.717 26.221 32.119 1.00
63.22
ATOM 467 ND1 HIS 61 -4.016 26.777 33.340 1.00
63.71
ATOM 468 CD2 HIS 61 -4.893 26.156 31.442 1.00
66.57
ATOM 469 CE1 HIS 61 -5.308 27.046 33.401 1.00
68.21
ATOM 470 NE2 HIS 61 -5.861 26.678 32.256 1.00
68.48
ATOM 471 N VAL 62 -4.224 24.116 29.653 1.00
39.50
ATOM 472 CA VAL 62 -5.024 24.042 28.433 1.00
42.50
ATOM 473 C VAL 62 -5.016 25.262 27.563 1.00
45.07
ATOM 474 O VAL 62 -4.893 25.178 26.339 1.00
50.12
ATOM 475 CB VAL 62 -6.500 23.653 28.710 1.00
50.67
ATOM 476 CG1 VAL 62 -7.044 24.387 29.936 1.00
48.50
ATOM 477 CG2 VAL 62 -7.367 23.960 27.478 1.00
50.44
ATOM 478 N ASP 63 -5.249 26.399 28.185 1.00
51.13
ATOM 479 CA ASP 63 -5.269 27.646 27.453 1.00
51.89
ATOM 480 C ASP 63 -3.856 27.909 26.971 1.00
46.10
ATOM 481 O ASP 63 -3.663 28.213 25.810 1.00
51.50
ATOM 482 CB ASP 63 -5.820 28.755 28.338 1.00
51.89
ATOM 483 CG ASP 63 -7.194 28.415 28.872 1.00
59.37
ATOM 484 OD1 ASP 63 -8.065 28.082 28.030 1.00
56.09
ATOM 485 OD2 ASP 63 -7.373 28.414 30.122 1.00
61.65
ATOM 486 N ASP 64 -2.862 27.675 27.814 1.00
37.19
ATOM 487 CA ASP 64 -1.482 27.861 27.392 1.00
37.51
ATOM 488 C ASP 64 -1.177 26.934 26.232 1.00
39.98
ATOM 489 O ASP 64 -0.398 27.268 25.351 1.00
44.52
ATOM 490 CB ASP 64 -0.516 27.597 28.536 1.00
40.29
ATOM 491 CG ASP 64 -0.523 28.713 29.565 1.00
51.89
ATOM 492 OD1 ASP 64 -1.171 29.755 29.313 1.00
56.09
ATOM 493 OD2 ASP 64 0.116 28.562 30.631 1.00
59.50
ATOM 494 N GLN 65 -1.819 25.776 26.213 1.00
46.01
ATOM 495 CA GLN 65 -1.621 24.832 25.131 1.00
48.12
ATOM 496 C GLN 65 -2.183 25.485 23.884 1.00
48.61
ATOM 497 O GLN 65 -1.531 25.558 22.854 1.00
51.31
ATOM 498 CB GLN 65 -2.421 23.563 25.364 1.00
52.94
ATOM 499 CG GLN 65 -1.791 22.511 26.234 1.00
52.25
ATOM 500 CD GLN 65 -2.659 21.287 26.227 1.00
53.92
ATOM 501 OE1 GLN 65 -3.252 20.925 27.238 1.00
59.82
ATOM 502 NE2 GLN 65 -2.836 20.701 25.051 1.00
55.07
ATOM 503 N MET 66 -3.416 25.952 23.993 1.00
48.02
ATOM 504 CA MET 66 -4.107 26.588 22.887 1.00
50.74
ATOM 505 C MET 66 -3.448 27.904 22.453 1.00
50.43
ATOM 506 O MET 66 -3.495 28.269 21.286 1.00
53.47
ATOM 507 CB MET 66 -5.545 26.832 23.297 1.00
56.63
ATOM 508 CG MET 66 -6.530 26.884 22.158 1.00
71.95
ATOM 509 SD MET 66 -8.226 26.806 22.797 1.00
94.18
ATOM 510 CE MET 66 -7.929 26.442 24.662 1.00
83.04
ATOM 511 N ALA 67 -2.779 28.577 23.384 1.00
49.75
ATOM 512 CA ALA 67 -2.115 29.844 23.109 1.00
43.40
ATOM 513 C ALA 67 -0.820 29.686 22.305 1.00
43.42
ATOM 514 O ALA 67 -0.749 30.185 21.185 1.00
51.41
ATOM 515 CB ALA 67 -1.845 30.602 24.406 1.00
36.08
ATOM 516 N VAL 68 0.198 29.002 22.832 1.00
38.22
ATOM 517 CA VAL 68 1.441 28.866 22.066 1.00
36.45
ATOM 518 C VAL 68 1.210 28.345 20.651 1.00
36.01
ATOM 519 O VAL 68 1.982 28.655 19.747 1.00
41.42
ATOM 520 CB VAL 68 2.502 28.000 22.764 1.00
35.87
ATOM 521 CG1 VAL 68 3.048 28.714 23.978 1.00
44.32
ATOM 522 CG2 VAL 68 1.924 26.673 23.156 1.00
36.64
ATOM 523 N ILE 69 0.132 27.585 20.465 1.00
30.08
ATOM 524 CA ILE 69 -0.220 27.048 19.150 1.00
31.25
ATOM 525 C ILE 69 -0.623 28.195 18.241 1.00
32.22
ATOM 526 O ILE 69 0.022 28.449 17.222 1.00
40.26
ATOM 527 CB ILE 69 -1.361 25.992 19.250 1.00
32.49
ATOM 528 CG1 ILE 69 -0.781 24.654 19.749 1.00
36.28
ATOM 529 CG2 ILE 69 -2.061 25.803 17.907 1.00
22.38
ATOM 530 CD1 ILE 69 -1.792 23.707 20.422 1.00
39.52
ATOM 531 N GLN 70 -1.657 28.926 18.636 1.00
34.76
ATOM 532 CA GLN 70 -2.127 30.064 17.857 1.00
36.96
ATOM 533 C GLN 70 -0.999 31.078 17.575 1.00
38.78
ATOM 534 O GLN 70 -0.780 31.434 16.422 1.00
47.01
ATOM 535 CB GLN 70 -3.310 30.715 18.570 1.00
35.31
ATOM 536 CG GLN 70 -4.548 29.817 18.615 1.00
36.30
ATOM 537 CD GLN 70 -5.569 30.254 19.666 1.00
46.43
ATOM 538 OE1 GLN 70 -5.196 30.752 20.728 1.00
51.09
ATOM 539 NE2 GLN 70 -6.860 30.059 19.379 1.00
45.97
ATOM 540 N TYR 71 -0.206 31.428 18.586 1.00
32.35
ATOM 541 CA TYR 71 0.867 32.387 18.402 1.00
30.36
ATOM 542 C TYR 71 1.975 31.867 17.526 1.00
34.27
ATOM 543 O TYR 71 2.502 32.609 16.712 1.00
35.19
ATOM 544 CB TYR 71 1.496 32.821 19.735 1.00
36.60
ATOM 545 CG TYR 71 0.565 33.487 20.754 1.00
41.72
ATOM 546 CD1 TYR 71 -0.515 34.267 20.358 1.00
43.18
ATOM 547 CD2 TYR 71 0.736 33.272 22.126 1.00
44.87
ATOM 548 CE1 TYR 71 -1.416 34.803 21.303 1.00
43.31
ATOM 549 CE2 TYR 71 -0.163 33.808 23.073 1.00
39.98
ATOM 550 CZ TYR 71 -1.239 34.561 22.649 1.00
38.00
ATOM 551 OH TYR 71 -2.178 35.014 23.556 1.00
54.08
ATOM 552 N SER 72 2.351 30.606 17.674 1.00
36.52
ATOM 553 CA SER 72 3.459 30.114 16.875 1.00
38.17
ATOM 554 C SER 72 3.129 29.453 15.535 1.00
38.14
ATOM 555 O SER 72 4.024 29.259 14.706 1.00
41.67
ATOM 556 CB SER 72 4.390 29.231 17.727 1.00
42.37
ATOM 557 OG SER 72 3.756 28.053 18.200 1.00
39.05
ATOM 558 N TRP 73 1.851 29.268 15.236 1.00
32.00
ATOM 559 CA TRP 73 1.482 28.588 14.004 1.00
32.79
ATOM 560 C TRP 73 2.099 29.060 12.681 1.00
34.24
ATOM 561 O TRP 73 2.578 28.250 11.891 1.00
34.43
ATOM 562 CB TRP 73 -0.034 28.446 13.918 1.00
44.21
ATOM 563 CG TRP 73 -0.733 29.487 13.136 1.00
58.12
ATOM 564 CD1 TRP 73 -0.889 30.806 13.458 1.00
64.16
ATOM 565 CD2 TRP 73 -1.365 29.303 11.870 1.00
63.13
ATOM 566 NE1 TRP 73 -1.574 31.462 12.462 1.00
67.31
ATOM 567 CE2 TRP 73 -1.882 30.562 11.473 1.00
67.95
ATOM 568 CE3 TRP 73 -1.558 28.194 11.031 1.00
57.71
ATOM 569 CZ2 TRP 73 -2.561 30.747 10.260 1.00
70.02
ATOM 570 CZ3 TRP 73 -2.232 28.373 9.831 1.00
59.16
ATOM 571 CH2 TRP 73 -2.731 29.642 9.458 1.00
65.30
ATOM 572 N MET 74 2.184 30.370 12.489 1.00
41.58
ATOM 573 CA MET 74 2.749 30.945 11.265 1.00
39.13
ATOM 574 C MET 74 4.193 30.537 11.090 1.00
30.85
ATOM 575 O MET 74 4.602 30.115 10.017 1.00
34.78
ATOM 576 CB MET 74 2.689 32.476 11.309 1.00
42.39
ATOM 577 CG MET 74 3.147 33.177 10.032 1.00
43.70
ATOM 578 SD MET 74 1.988 32.993 8.658 1.00
45.17
ATOM 579 CE MET 74 0.678 34.132 9.133 1.00
22.14
ATOM 580 N GLY 75 4.954 30.648 12.165 1.00
24.94
ATOM 581 CA GLY 75 6.367 30.312 12.117 1.00
27.24
ATOM 582 C GLY 75 6.630 28.836 11.886 1.00
27.21
ATOM 583 O GLY 75 7.660 28.461 11.322 1.00
27.69
ATOM 584 N LEU 76 5.734 27.983 12.372 1.00
25.91
ATOM 585 CA LEU 76 5.895 26.550 12.172 1.00
26.90
ATOM 586 C LEU 76 5.632 26.287 10.708 1.00
27.04
ATOM 587 O LEU 76 6.375 25.574 10.048 1.00
31.01
ATOM 588 CB LEU 76 4.899 25.755 13.018 1.00
25.72
ATOM 589 CG LEU 76 5.234 25.626 14.514 1.00
29.11
ATOM 590 CD1 LEU 76 4.063 25.022 15.275 1.00
23.25
ATOM 591 CD2 LEU 76 6.484 24.771 14.689 1.00
24.15
ATOM 592 N MET 77 4.566 26.886 10.200 1.00
25.67
ATOM 593 CA MET 77 4.188 26.725 8.803 1.00
23.96
ATOM 594 C MET 77 5.254 27.179 7.822 1.00
29.61
ATOM 595 O MET 77 5.550 26.480 6.857 1.00
34.60
ATOM 596 CB MET 77 2.895 27.454 8.534 1.00
20.46
ATOM 597 CG MET 77 1.730 26.888 9.310 1.00
19.98
ATOM 598 SD MET 77 0.297 27.272 8.341 1.00
43.15
ATOM 599 CE MET 77 0.642 29.041 8.042 1.00
44.27
ATOM 600 N VAL 78 5.830 28.341 8.095 1.00
27.98
ATOM 601 CA VAL 78 6.876 28.924 7.288 1.00
24.84
ATOM 602 C VAL 78 8.107 28.051 7.345 1.00
28.42
ATOM 603 O VAL 78 8.749 27.786 6.333 1.00
37.05
ATOM 604 CB VAL 78 7.248 30.304 7.835 1.00
31.98
ATOM 605 CG1 VAL 78 8.423 30.888 7.073 1.00
29.03
ATOM 606 CG2 VAL 78 6.066 31.196 7.737 1.00
32.19
ATOM 607 N PHE 79 8.439 27.607 8.541 1.00
31.29
ATOM 608 CA PHE 79 9.605 26.765 8.736 1.00
32.19
ATOM 609 C PHE 79 9.468 25.401 8.030 1.00
35.99
ATOM 610 O PHE 79 10.398 24.916 7.384 1.00
34.95
ATOM 611 CB PHE 79 9.820 26.536 10.224 1.00
27.90
ATOM 612 CG PHE 79 11.209 26.082 10.573 1.00
26.00
ATOM 613 CD1 PHE 79 12.293 26.915 10.343 1.00
24.54
ATOM 614 CD2 PHE 79 11.428 24.846 11.166 1.00
27.23
ATOM 615 CE1 PHE 79 13.571 26.532 10.699 1.00
25.88
ATOM 616 CE2 PHE 79 12.711 24.451 11.528 1.00
25.61
ATOM 617 CZ PHE 79 13.785 25.297 11.293 1.00
28.75
ATOM 618 N ALA 80 8.309 24.774 8.171 1.00
35.11
ATOM 619 CA ALA 80 8.096 23.483 7.561 1.00
34.00
ATOM 620 C ALA 80 8.114 23.683 6.054 1.00
37.26
ATOM 621 O ALA 80 8.831 22.973 5.344 1.00
35.87
ATOM 622 CB ALA 80 6.773 22.896 8.022 1.00
29.48
ATOM 623 N MET 81 7.385 24.707 5.591 1.00
41.15
ATOM 624 CA MET 81 7.277 25.044 4.167 1.00
33.31
ATOM 625 C MET 81 8.647 25.225 3.563 1.00
35.12
ATOM 626 O MET 81 8.934 24.711 2.491 1.00
37.94
ATOM 627 CB MET 81 6.444 26.303 3.982 1.00
35.95
ATOM 628 CG MET 81 6.179 26.682 2.542 1.00
45.47
ATOM 629 SD MET 81 7.444 27.726 1.821 1.00
50.89
ATOM 630 CE MET 81 7.553 28.954 3.104 1.00
55.72
ATOM 631 N GLY 82 9.507 25.929 4.278 1.00
36.97
ATOM 632 CA GLY 82 10.863 26.138 3.810 1.00
42.04
ATOM 633 C GLY 82 11.628 24.828 3.715 1.00
43.22
ATOM 634 O GLY 82 12.530 24.678 2.889 1.00
43.48
ATOM 635 N TRP 83 11.304 23.876 4.581 1.00
45.43
ATOM 636 CA TRP 83 11.976 22.588 4.528 1.00
42.53
ATOM 637 C TRP 83 11.519 21.806 3.294 1.00
43.17
ATOM 638 O TRP 83 12.336 21.207 2.596 1.00
40.24
ATOM 639 CB TRP 83 11.717 21.776 5.787 1.00
39.21
ATOM 640 CG TRP 83 12.359 20.401 5.737 1.00
41.85
ATOM 641 CD1 TRP 83 11.736 19.213 5.461 1.00
39.44
ATOM 642 CD2 TRP 83 13.743 20.085 5.968 1.00
37.37
ATOM 643 NE1 TRP 83 12.645 18.186 5.516 1.00
42.23
ATOM 644 CE2 TRP 83 13.878 18.692 5.821 1.00
41.26
ATOM 645 CE3 TRP 83 14.877 20.841 6.275 1.00
41.35
ATOM 646 CZ2 TRP 83 15.110 18.046 5.978 1.00
48.39
ATOM 647 CZ3 TRP 83 16.104 20.195 6.431 1.00
39.62
ATOM 648 CH2 TRP 83 16.208 18.817 6.280 1.00
43.38
ATOM 649 N ARG 84 10.214 21.792 3.037 1.00
42.27
ATOM 650 CA ARG 84 9.683 21.100 1.862 1.00
41.53
ATOM 651 C ARG 84 10.257 21.740 0.602 1.00
44.18
ATOM 652 O ARG 84 10.522 21.048 -0.380 1.00
43.20
ATOM 653 CB ARG 84 8.163 21.186 1.800 1.00
42.14
ATOM 654 CG ARG 84 7.441 20.465 2.920 1.00
49.76
ATOM 655 CD ARG 84 5.938 20.434 2.649 1.00
48.23
ATOM 656 NE ARG 84 5.382 21.773 2.483 1.00
45.23
ATOM 657 CZ ARG 84 5.013 22.572 3.490 1.00
52.17
ATOM 658 NH1 ARG 84 5.131 22.175 4.764 1.00
33.80
ATOM 659 NH2 ARG 84 4.536 23.785 3.223 1.00
49.84
ATOM 660 N SER 85 10.441 23.058 0.624 1.00
38.26
ATOM 661 CA SER 85 10.998 23.733 -0.523 1.00
35.26
ATOM 662 C SER 85 12.453 23.400 -0.707 1.00
35.66
ATOM 663 O SER 85 12.973 23.538 -1.807 1.00
43.18
ATOM 664 CB SER 85 10.798 25.233 -0.444 1.00
33.49
ATOM 665 OG SER 85 9.414 25.514 -0.453 1.00
36.06
ATOM 666 N PHE 86 13.113 22.938 0.343 1.00
33.77
ATOM 667 CA PHE 86 14.523 22.575 0.224 1.00
41.59
ATOM 668 C PHE 86 14.709 21.153 -0.316 1.00
49.14
ATOM 669 O PHE 86 15.524 20.919 -1.211 1.00
48.97
ATOM 670 CB PHE 86 15.242 22.702 1.564 1.00
39.18
ATOM 671 CG PHE 86 16.668 22.204 1.540 1.00
40.02
ATOM 672 CD1 PHE 86 17.596 22.746 0.645 1.00
48.31
ATOM 673 CD2 PHE 86 17.086 21.202 2.423 1.00
36.75
ATOM 674 CE1 PHE 86 18.923 22.311 0.635 1.00
47.66
ATOM 675 CE2 PHE 86 18.411 20.757 2.432 1.00
41.02
ATOM 676 CZ PHE 86 19.333 21.313 1.532 1.00
50.13
ATOM 677 N THR 87 13.948 20.208 0.225 1.00
53.24
ATOM 678 CA THR 87 14.053 18.818 -0.197 1.00
53.33
ATOM 679 C THR 87 13.287 18.474 -1.478 1.00
54.87
ATOM 680 O THR 87 13.554 17.431 -2.068 1.00
57.41
ATOM 681 CB THR 87 13.596 17.830 0.934 1.00
45.98
ATOM 682 OG1 THR 87 12.221 18.055 1.245 1.00
49.35
ATOM 683 CG2 THR 87 14.405 18.033 2.190 1.00
40.03
ATOM 684 N ASN 88 12.360 19.336 -1.911 1.00
52.97
ATOM 685 CA ASN 88 11.539 19.044 -3.097 1.00
56.15
ATOM 686 C ASN 88 11.821 19.826 -4.394 1.00
55.33
ATOM 687 O ASN 88 11.705 19.257 -5.481 1.00
54.81
ATOM 688 CB ASN 88 10.019 19.124 -2.769 1.00
60.43
ATOM 689 CG ASN 88 9.504 17.959 -1.869 1.00
57.82
ATOM 690 OD1 ASN 88 10.123 16.909 -1.763 1.00
55.71
ATOM 691 ND2 ASN 88 8.354 18.169 -1.234 1.00
56.46
ATOM 692 N VAL 89 12.155 21.115 -4.293 1.00
54.53
ATOM 693 CA VAL 89 12.427 21.962 -5.470 1.00
50.64
ATOM 694 C VAL 89 13.732 22.776 -5.370 1.00
47.30
ATOM 695 O VAL 89 13.903 23.786 -6.053 1.00
48.03
ATOM 696 CB VAL 89 11.239 22.943 -5.756 1.00
50.94
ATOM 697 CG1 VAL 89 9.927 22.177 -5.892 1.00
53.22
ATOM 698 CG2 VAL 89 11.125 23.998 -4.660 1.00
54.28
ATOM 699 N ASN 90 14.676 22.274 -4.582 1.00
53.28
ATOM 700 CA ASN 90 15.977 22.917 -4.340 1.00
61.04
ATOM 701 C ASN 90 15.937 24.448 -4.140 1.00
63.53
ATOM 702 O ASN 90 16.674 25.191 -4.802 1.00
65.98
ATOM 703 CB ASN 90 17.026 22.499 -5.388 1.00
63.98
ATOM 704 CG ASN 90 18.440 22.442 -4.813 1.00
62.08
ATOM 705 OD1 ASN 90 18.681 22.852 -3.679 1.00
62.62
ATOM 706 ND2 ASN 90 19.369 21.908 -5.590 1.00
62.48
ATOM 707 N SER 91 14.999 24.879 -3.281 1.00
63.72
ATOM 708 CA SER 91 14.763 26.267 -2.849 1.00
61.29
ATOM 709 C SER 91 14.379 27.351 -3.849 1.00
66.13
ATOM 710 O SER 91 14.067 28.472 -3.443 1.00
71.37
ATOM 711 CB SER 91 15.939 26.770 -1.995 1.00
60.64
ATOM 712 OG SER 91 16.080 26.018 -0.799 1.00
55.92
ATOM 713 N ARG 92 14.388 27.045 -5.140 1.00
64.35
ATOM 714 CA ARG 92 14.041 28.064 -6.109 1.00
59.78
ATOM 715 C ARG 92 12.551 28.416 -6.070 1.00
55.67
ATOM 716 O ARG 92 12.186 29.563 -6.345 1.00
60.84
ATOM 717 CB ARG 92 14.492 27.658 -7.507 1.00
69.19
ATOM 718 CG ARG 92 14.046 26.283 -7.883 1.00
73.58
ATOM 719 CD ARG 92 13.925 26.094 -9.381 1.00
78.27
ATOM 720 NE ARG 92 13.214 24.847 -9.635 1.00
80.85
ATOM 721 CZ ARG 92 13.642 23.646 -9.246 1.00
80.46
ATOM 722 NH1 ARG 92 14.801 23.528 -8.597 1.00
79.19
ATOM 723 NH2 ARG 92 12.853 22.584 -9.388 1.00
76.84
ATOM 724 N MET 93 11.701 27.453 -5.707 1.00
46.97
ATOM 725 CA MET 93 10.256 27.695 -5.622 1.00
41.01
ATOM 726 C MET 93 9.744 27.418 -4.222 1.00
37.53
ATOM 727 O MET 93 10.451 26.824 -3.412 1.00
38.47
ATOM 728 CB MET 93 9.496 26.827 -6.612 1.00
38.49
ATOM 729 CG MET 93 9.926 27.040 -8.034 1.00
42.52
ATOM 730 SD MET 93 8.981 25.994 -9.104 1.00
50.12
ATOM 731 CE MET 93 10.000 24.558 -9.111 1.00
43.61
ATOM 732 N LEU 94 8.526 27.860 -3.930 1.00
35.00
ATOM 733 CA LEU 94 7.949 27.638 -2.614 1.00
36.81
ATOM 734 C LEU 94 6.902 26.548 -2.664 1.00
41.13
ATOM 735 O LEU 94 5.821 26.739 -3.243 1.00
36.62
ATOM 736 CB LEU 94 7.344 28.912 -2.048 1.00
39.16
ATOM 737 CG LEU 94 8.366 30.021 -1.827 1.00
43.49
ATOM 738 CD1 LEU 94 7.670 31.178 -1.169 1.00
45.89
ATOM 739 CD2 LEU 94 9.498 29.530 -0.952 1.00
44.69
ATOM 740 N TYR 95 7.245 25.419 -2.033 1.00
44.41
ATOM 741 CA TYR 95 6.422 24.209 -1.963 1.00
39.75
ATOM 742 C TYR 95 5.412 24.241 -0.839 1.00
36.53
ATOM 743 O TYR 95 5.504 23.487 0.129 1.00
36.31
ATOM 744 CB TYR 95 7.323 22.968 -1.831 1.00
47.60
ATOM 745 CG TYR 95 6.713 21.644 -2.309 1.00
61.61
ATOM 746 CD1 TYR 95 5.701 21.002 -1.579 1.00
67.78
ATOM 747 CD2 TYR 95 7.174 21.015 -3.476 1.00
62.67
ATOM 748 CE1 TYR 95 5.164 19.770 -1.998 1.00
63.34
ATOM 749 CE2 TYR 95 6.639 19.778 -3.897 1.00
59.80
ATOM 750 CZ TYR 95 5.634 19.173 -3.149 1.00
62.05
ATOM 751 OH TYR 95 5.066 17.995 -3.558 1.00
63.40
ATOM 752 N PHE 96 4.445 25.130 -0.958 1.00
37.20
ATOM 753 CA PHE 96 3.409 25.221 0.042 1.00
38.87
ATOM 754 C PHE 96 2.681 23.864 0.164 1.00
47.03
ATOM 755 O PHE 96 2.506 23.333 1.263 1.00
48.96
ATOM 756 CB PHE 96 2.441 26.350 -0.321 1.00
34.03
ATOM 757 CG PHE 96 3.048 27.695 -0.225 1.00
29.36
ATOM 758 CD1 PHE 96 3.571 28.142 0.976 1.00
32.46
ATOM 759 CD2 PHE 96 3.129 28.510 -1.328 1.00
37.55
ATOM 760 CE1 PHE 96 4.169 29.384 1.076 1.00
35.80
ATOM 761 CE2 PHE 96 3.727 29.759 -1.236 1.00
39.68
ATOM 762 CZ PHE 96 4.247 30.196 -0.033 1.00
29.54
ATOM 763 N ALA 97 2.314 23.286 -0.978 1.00
56.26
ATOM 764 CA ALA 97 1.608 21.999 -1.049 1.00
51.43
ATOM 765 C ALA 97 1.969 21.343 -2.386 1.00
51.42
ATOM 766 O ALA 97 2.449 22.022 -3.289 1.00
51.71
ATOM 767 CB ALA 97 0.105 22.232 -0.959 1.00
47.80
ATOM 768 N PRO 98 1.766 20.021 -2.533 1.00
52.86
ATOM 769 CA PRO 98 2.120 19.407 -3.813 1.00
50.96
ATOM 770 C PRO 98 1.359 20.040 -4.970 1.00
48.25
ATOM 771 O PRO 98 1.893 20.144 -6.082 1.00
44.31
ATOM 772 CB PRO 98 1.721 17.949 -3.604 1.00
57.00
ATOM 773 CG PRO 98 1.899 17.761 -2.133 1.00
58.08
ATOM 774 CD PRO 98 1.237 19.002 -1.617 1.00
57.23
ATOM 775 N ASP 99 0.128 20.479 -4.707 1.00
41.59
ATOM 776 CA ASP 99 -0.681 21.119 -5.743 1.00
47.13
ATOM 777 C ASP 99 -0.774 22.666 -5.645 1.00
51.59
ATOM 778 O ASP 99 -1.618 23.311 -6.292 1.00
55.70
ATOM 779 CB ASP 99 -2.073 20.485 -5.785 1.00
48.65
ATOM 780 CG ASP 99 -2.833 20.667 -4.505 1.00
51.77
ATOM 781 OD1 ASP 99 -2.205 20.619 -3.431 1.00
54.76
ATOM 782 OD2 ASP 99 -4.071 20.839 -4.573 1.00
59.43
ATOM 783 N LEU 100 0.148 23.255 -4.893 1.00
48.07
ATOM 784 CA LEU 100 0.196 24.697 -4.719 1.00
47.04
ATOM 785 C LEU 100 1.658 25.080 -4.564 1.00
49.99
ATOM 786 O LEU 100 2.141 25.212 -3.436 1.00
53.64
ATOM 787 CB LEU 100 -0.574 25.108 -3.450 1.00
51.86
ATOM 788 CG LEU 100 -0.631 26.580 -3.002 1.00
50.53
ATOM 789 CD1 LEU 100 -1.328 27.390 -4.062 1.00
47.97
ATOM 790 CD2 LEU 100 -1.376 26.701 -1.702 1.00
46.42
ATOM 791 N VAL 101 2.387 25.176 -5.676 1.00
48.70
ATOM 792 CA VAL 101 3.796 25.575 -5.620 1.00
48.86
ATOM 793 C VAL 101 3.954 26.933 -6.287 1.00
47.94
ATOM 794 O VAL 101 3.352 27.190 -7.335 1.00
49.55
ATOM 795 CB VAL 101 4.728 24.572 -6.321 1.00
50.85
ATOM 796 CG1 VAL 101 6.181 25.049 -6.216 1.00
53.54
ATOM 797 CG2 VAL 101 4.581 23.208 -5.687 1.00
53.42
ATOM 798 N PHE 102 4.734 27.808 -5.668 1.00
43.61
ATOM 799 CA PHE 102 4.935 29.124 -6.230 1.00
40.71
ATOM 800 C PHE 102 6.179 29.276 -7.044 1.00
39.27
ATOM 801 O PHE 102 7.291 29.151 -6.531 1.00
38.13
ATOM 802 CB PHE 102 4.939 30.197 -5.147 1.00
41.24
ATOM 803 CG PHE 102 3.582 30.650 -4.753 1.00
39.60
ATOM 804 CD1 PHE 102 2.489 29.803 -4.896 1.00
40.94
ATOM 805 CD2 PHE 102 3.391 31.916 -4.220 1.00
35.47
ATOM 806 CE1 PHE 102 1.216 30.208 -4.515 1.00
39.80
ATOM 807 CE2 PHE 102 2.123 32.332 -3.834 1.00
37.83
ATOM 808 CZ PHE 102 1.027 31.476 -3.980 1.00
36.48
ATOM 809 N ASN 103 5.988 29.397 -8.345 1.00
38.22
ATOM 810 CA ASN 103 7.113 29.673 -9.219 1.00
39.10
ATOM 811 C ASN 103 7.181 31.196 -9.066 1.00
43.17
ATOM 812 O ASN 103 6.341 31.785 -8.345 1.00
39.83
ATOM 813 CB ASN 103 6.834 29.268 -10.685 1.00
33.28
ATOM 814 CG ASN 103 5.384 29.492 -11.110 1.00
35.37
ATOM 815 OD1 ASN 103 4.656 30.309 -10.546 1.00
45.29
ATOM 816 ND2 ASN 103 4.956 28.737 -12.094 1.00
41.79
ATOM 817 N GLU 104 8.166 31.836 -9.694 1.00
43.13
ATOM 818 CA GLU 104 8.264 33.285 -9.605 1.00
42.44
ATOM 819 C GLU 104 7.015 33.997 -10.136 1.00
45.81
ATOM 820 O GLU 104 6.615 35.016 -9.579 1.00
53.45
ATOM 821 CB GLU 104 9.541 33.815 -10.274 1.00
52.58
ATOM 822 CG GLU 104 10.814 33.657 -9.401 1.00
58.43
ATOM 823 CD GLU 104 11.791 34.850 -9.483 1.00
56.79
ATOM 824 OE1 GLU 104 11.719 35.655 -10.434 1.00
55.14
ATOM 825 OE2 GLU 104 12.654 34.974 -8.583 1.00
61.19
ATOM 826 N TYR 105 6.354 33.454 -11.157 1.00
39.45
ATOM 827 CA TYR 105 5.147 34.117 -11.659 1.00
38.06
ATOM 828 C TYR 105 4.088 34.215 -10.565 1.00
38.71
ATOM 829 O TYR 105 3.493 35.271 -10.391 1.00
41.42
ATOM 830 CB TYR 105 4.563 33.425 -12.907 1.00
37.63
ATOM 831 CG TYR 105 3.266 34.033 -13.417 1.00
38.44
ATOM 832 CD1 TYR 105 3.248 35.277 -14.059 1.00
36.94
ATOM 833 CD2 TYR 105 2.043 33.397 -13.197 1.00
40.91
ATOM 834 CE1 TYR 105 2.038 35.883 -14.459 1.00
34.34
ATOM 835 CE2 TYR 105 0.833 33.990 -13.595 1.00
46.98
ATOM 836 CZ TYR 105 0.835 35.235 -14.223 1.00
42.85
ATOM 837 OH TYR 105 -0.361 35.824 -14.599 1.00
42.16
ATOM 838 N ARG 106 3.864 33.137 -9.817 1.00
43.58
ATOM 839 CA ARG 106 2.863 33.146 -8.751 1.00
41.94
ATOM 840 C ARG 106 3.216 34.035 -7.578 1.00
41.03
ATOM 841 O ARG 106 2.330 34.701 -7.032 1.00
43.75
ATOM 842 CB ARG 106 2.580 31.748 -8.252 1.00
46.64
ATOM 843 CG ARG 106 1.421 31.121 -8.923 1.00
45.32
ATOM 844 CD ARG 106 1.735 29.667 -9.102 1.00
47.16
ATOM 845 NE ARG 106 0.588 28.968 -9.642 1.00
43.73
ATOM 846 CZ ARG 106 0.344 27.682 -9.445 1.00
41.94
ATOM 847 NH1 ARG 106 1.183 26.954 -8.717 1.00
42.65
ATOM 848 NH2 ARG 106 -0.753 27.136 -9.952 1.00
39.92
ATOM 849 N MET 107 4.486 34.023 -7.168 1.00
34.68
ATOM 850 CA MET 107 4.955 34.877 -6.069 1.00
38.36
ATOM 851 C MET 107 4.496 36.328 -6.332 1.00
41.88
ATOM 852 O MET 107 4.119 37.065 -5.416 1.00
41.28
ATOM 853 CB MET 107 6.485 34.839 -5.975 1.00
33.18
ATOM 854 CG MET 107 7.046 33.622 -5.276 1.00
24.32
ATOM 855 SD MET 107 8.813 33.416 -5.539 1.00
40.19
ATOM 856 CE MET 107 9.443 34.965 -4.970 1.00
48.34
ATOM 857 N HIS 108 4.484 36.695 -7.608 1.00
46.87
ATOM 858 CA HIS 108 4.065 38.006 -8.065 1.00
41.06
ATOM 859 C HIS 108 2.568 38.136 -8.311 1.00
43.18
ATOM 860 O HIS 108 1.969 39.153 -7.991 1.00
48.98
ATOM 861 CB HIS 108 4.804 38.351 -9.348 1.00
45.79
ATOM 862 CG HIS 108 4.486 39.712 -9.873 1.00
44.99
ATOM 863 ND1 HIS 108 3.327 39.992 -10.560 1.00
46.34
ATOM 864 CD2 HIS 108 5.167 40.879 -9.788 1.00
44.43
ATOM 865 CE1 HIS 108 3.300 41.270 -10.877 1.00
44.55
ATOM 866 NE2 HIS 108 4.406 41.833 -10.419 1.00
49.86
ATOM 867 N LYS 109 1.964 37.143 -8.938 1.00
46.29
ATOM 868 CA LYS 109 0.542 37.214 -9.220 1.00
48.46
ATOM 869 C LYS 109 -0.276 37.241 -7.920 1.00
49.12
ATOM 870 O LYS 109 -1.356 37.835 -7.869 1.00
53.96
ATOM 871 CB LYS 109 0.128 36.042 -10.126 1.00
50.10
ATOM 872 CG LYS 109 -1.193 36.233 -10.872 1.00
58.08
ATOM 873 CD LYS 109 -1.161 37.460 -11.791 1.00
65.16
ATOM 874 CE LYS 109 -2.090 38.590 -11.301 1.00
75.26
ATOM 875 NZ LYS 109 -3.524 38.363 -11.635 1.00
77.33
ATOM 876 N SER 110 0.249 36.616 -6.870 1.00
50.25
ATOM 877 CA SER 110 -0.432 36.551 -5.571 1.00
48.63
ATOM 878 C SER 110 -0.193 37.808 -4.756 1.00
53.35
ATOM 879 O SER 110 -0.827 38.019 -3.727 1.00
57.00
ATOM 880 CB SER 110 0.116 35.397 -4.761 1.00
42.58
ATOM 881 OG SER 110 1.446 35.715 -4.386 1.00
43.83
ATOM 882 N ARG 111 0.842 38.546 -5.141 1.00
58.37
ATOM 883 CA ARG 111 1.242 39.798 -4.491 1.00
56.74
ATOM 884 C ARG 111 1.901 39.668 -3.113 1.00
54.76
ATOM 885 O ARG 111 1.801 40.580 -2.276 1.00
51.96
ATOM 886 CB ARG 111 0.081 40.799 -4.461 1.00
57.70
ATOM 887 CG ARG 111 -0.472 41.124 -5.841 1.00
56.33
ATOM 888 CD ARG 111 -1.603 42.120 -5.735 1.00
58.79
ATOM 889 NE ARG 111 -2.471 42.088 -6.907 1.00
62.79
ATOM 890 CZ ARG 111 -3.095 43.150 -7.397 1.00
61.40
ATOM 891 NH1 ARG 111 -2.935 44.337 -6.824 1.00
62.02
ATOM 892 NH2 ARG 111 -3.912 43.007 -8.426 1.00
65.13
ATOM 893 N MET 112 2.600 38.551 -2.897 1.00
46.79
ATOM 894 CA MET 112 3.323 38.334 -1.650 1.00
42.92
ATOM 895 C MET 112 4.773 38.214 -2.049 1.00
41.04
ATOM 896 O MET 112 5.595 37.686 -1.311 1.00
43.38
ATOM 897 CB MET 112 2.953 37.015 -1.005 1.00
45.45
ATOM 898 CG MET 112 1.530 36.831 -0.596 1.00
54.10
ATOM 899 SD MET 112 1.554 35.622 0.748 1.00
62.75
ATOM 900 CE MET 112 2.616 34.289 0.007 1.00
62.66
ATOM 901 N TYR 113 5.092 38.712 -3.229 1.00
39.62
ATOM 902 CA TYR 113 6.429 38.610 -3.744 1.00
33.06
ATOM 903 C TYR 113 7.532 38.923 -2.753 1.00
33.20
ATOM 904 O TYR 113 8.499 38.166 -2.682 1.00
40.06
ATOM 905 CB TYR 113 6.581 39.428 -5.019 1.00
33.87
ATOM 906 CG TYR 113 7.782 38.995 -5.819 1.00
46.69
ATOM 907 CD1 TYR 113 9.063 39.330 -5.400 1.00
53.38
ATOM 908 CD2 TYR 113 7.651 38.203 -6.952 1.00
48.14
ATOM 909 CE1 TYR 113 10.184 38.887 -6.071 1.00
50.46
ATOM 910 CE2 TYR 113 8.778 37.756 -7.644 1.00
46.86
ATOM 911 CZ TYR 113 10.051 38.105 -7.190 1.00
51.34
ATOM 912 OH TYR 113 11.207 37.679 -7.825 1.00
55.86
ATOM 913 N SER 114 7.419 40.009 -1.986 1.00
39.72
ATOM 914 CA SER 114 8.492 40.346 -1.009 1.00
46.33
ATOM 915 C SER 114 8.597 39.361 0.159 1.00
38.58
ATOM 916 O SER 114 9.697 39.007 0.604 1.00
34.19
ATOM 917 CB SER 114 8.364 41.780 -0.472 1.00
44.39
ATOM 918 OG SER 114 7.042 42.049 -0.044 1.00
52.83
ATOM 919 N GLN 115 7.453 38.904 0.650 1.00
36.42
ATOM 920 CA GLN 115 7.486 37.948 1.736 1.00
43.09
ATOM 921 C GLN 115 8.040 36.661 1.160 1.00
41.26
ATOM 922 O GLN 115 8.980 36.075 1.709 1.00
47.55
ATOM 923 CB GLN 115 6.102 37.717 2.321 1.00
42.73
ATOM 924 CG GLN 115 5.538 38.915 3.059 1.00
48.39
ATOM 925 CD GLN 115 5.113 40.045 2.137 1.00
50.96
ATOM 926 OE1 GLN 115 4.504 39.831 1.083 1.00
53.94
ATOM 927 NE2 GLN 115 5.430 41.260 2.538 1.00
52.89
ATOM 928 N CYS 116 7.532 36.300 -0.015 1.00
36.76
ATOM 929 CA CYS 116 7.945 35.084 -0.710 1.00
35.38
ATOM 930 C CYS 116 9.456 35.006 -0.859 1.00
33.10
ATOM 931 O CYS 116 10.073 33.978 -0.568 1.00
39.32
ATOM 932 CB CYS 116 7.244 34.989 -2.066 1.00
31.26
ATOM 933 SG CYS 116 5.513 34.425 -1.949 1.00
42.23
ATOM 934 N VAL 117 10.060 36.132 -1.199 1.00
33.87
ATOM 935 CA VAL 117 11.491 36.173 -1.363 1.00
31.80
ATOM 936 C VAL 117 12.149 35.937 -0.019 1.00
33.12
ATOM 937 O VAL 117 13.164 35.267 0.051 1.00
35.91
ATOM 938 CB VAL 117 11.928 37.502 -1.962 1.00
37.92
ATOM 939 CG1 VAL 117 13.417 37.484 -2.236 1.00
35.87
ATOM 940 CG2 VAL 117 11.171 37.748 -3.264 1.00
33.21
ATOM 941 N ARG 118 11.556 36.461 1.052 1.00
36.61
ATOM 942 CA ARG 118 12.091 36.278 2.406 1.00
38.66
ATOM 943 C ARG 118 12.037 34.801 2.831 1.00
36.30
ATOM 944 O ARG 118 13.008 34.249 3.362 1.00
38.29
ATOM 945 CB ARG 118 11.343 37.175 3.407 1.00
44.04
ATOM 946 CG ARG 118 11.732 38.650 3.320 1.00
47.85
ATOM 947 CD ARG 118 12.880 38.968 4.255 1.00
50.22
ATOM 948 NE ARG 118 12.397 39.082 5.635 1.00
62.62
ATOM 949 CZ ARG 118 13.172 39.167 6.719 1.00
58.03
ATOM 950 NH1 ARG 118 14.494 39.134 6.609 1.00
61.23
ATOM 951 NH2 ARG 118 12.621 39.385 7.908 1.00
54.77
ATOM 952 N MET 119 10.919 34.150 2.553 1.00
32.73
ATOM 953 CA MET 119 10.763 32.746 2.883 1.00
34.16
ATOM 954 C MET 119 11.733 31.878 2.066 1.00
38.91
ATOM 955 O MET 119 12.229 30.846 2.539 1.00
43.10
ATOM 956 CB MET 119 9.331 32.315 2.621 1.00
27.15
ATOM 957 CG MET 119 8.337 33.046 3.449 1.00
32.77
ATOM 958 SD MET 119 6.714 32.334 3.317 1.00
46.02
ATOM 959 CE MET 119 6.063 33.236 2.001 1.00
31.94
ATOM 960 N ARG 120 11.999 32.296 0.835 1.00
39.06
ATOM 961 CA ARG 120 12.902 31.570 -0.035 1.00
34.24
ATOM 962 C ARG 120 14.323 31.664 0.502 1.00
34.59
ATOM 963 O ARG 120 15.119 30.742 0.332 1.00
37.27
ATOM 964 CB ARG 120 12.790 32.122 -1.446 1.00
39.81
ATOM 965 CG ARG 120 13.263 31.196 -2.528 1.00
45.01
ATOM 966 CD ARG 120 12.846 31.727 -3.887 1.00
54.21
ATOM 967 NE ARG 120 13.605 32.913 -4.290 1.00
63.42
ATOM 968 CZ ARG 120 13.340 33.620 -5.386 1.00
68.54
ATOM 969 NH1 ARG 120 12.329 33.261 -6.163 1.00
72.57
ATOM 970 NH2 ARG 120 14.126 34.630 -5.752 1.00
72.25
ATOM 971 N HIS 121 14.636 32.759 1.191 1.00
40.92
ATOM 972 CA HIS 121 15.973 32.916 1.784 1.00
53.01
ATOM 973 C HIS 121 16.107 31.777 2.782 1.00
54.43
ATOM 974 O HIS 121 17.066 31.000 2.730 1.00
50.35
ATOM 975 CB HIS 121 16.114 34.232 2.575 1.00
64.44
ATOM 976 CG HIS 121 16.334 35.456 1.739 1.00
74.91
ATOM 977 ND1 HIS 121 16.916 35.419 0.490 1.00
80.32
ATOM 978 CD2 HIS 121 16.051 36.759 1.982 1.00
74.30
ATOM 979 CE1 HIS 121 16.982 36.648 -0.001 1.00
78.33
ATOM 980 NE2 HIS 121 16.465 37.481 0.886 1.00
74.90
ATOM 981 N LEU 122 15.112 31.700 3.674 1.00
56.83
ATOM 982 CA LEU 122 15.018 30.684 4.731 1.00
50.54
ATOM 983 C LEU 122 15.194 29.297 4.140 1.00
45.95
ATOM 984 O LEU 122 16.076 28.551 4.573 1.00
43.16
ATOM 985 CB LEU 122 13.660 30.757 5.427 1.00
47.65
ATOM 986 CG LEU 122 13.455 29.853 6.634 1.00
49.09
ATOM 987 CD1 LEU 122 14.230 30.415 7.825 1.00
56.25
ATOM 988 CD2 LEU 122 11.970 29.760 6.962 1.00
46.26
ATOM 989 N SER 123 14.388 28.963 3.130 1.00
38.77
ATOM 990 CA SER 123 14.516 27.661 2.501 1.00
35.86
ATOM 991 C SER 123 15.951 27.507 2.010 1.00
37.61
ATOM 992 O SER 123 16.533 26.432 2.127 1.00
42.51
ATOM 993 CB SER 123 13.515 27.479 1.363 1.00
39.07
ATOM 994 OG SER 123 13.974 28.090 0.177 1.00
55.38
ATOM 995 N GLN 124 16.563 28.585 1.541 1.00
38.43
ATOM 996 CA GLN 124 17.938 28.481 1.086 1.00
43.65
ATOM 997 C GLN 124 18.978 28.304 2.201 1.00
46.43
ATOM 998 O GLN 124 20.049 27.761 1.951 1.00
53.03
ATOM 999 CB GLN 124 18.297 29.652 0.201 1.00
43.96
ATOM 1000 CG GLN 124 17.455 29.723 -1.021 1.00
50.40
ATOM 1001 CD GLN 124 17.516 31.082 -1.648 1.00
56.80
ATOM 1002 OE1 GLN 124 17.275 32.081 -0.975 1.00
59.46
ATOM 1003 NE2 GLN 124 17.852 31.142 -2.938 1.00
56.24
ATOM 1004 N GLU 125 18.684 28.734 3.424 1.00
46.80
ATOM 1005 CA GLU 125 19.658 28.561 4.510 1.00
46.06
ATOM 1006 C GLU 125 19.852 27.078 4.787 1.00
40.74
ATOM 1007 O GLU 125 20.972 26.632 5.000 1.00
41.28
ATOM 1008 CB GLU 125 19.214 29.248 5.814 1.00
51.06
ATOM 1009 CG GLU 125 18.949 30.772 5.734 1.00
67.15
ATOM 1010 CD GLU 125 20.212 31.644 5.762 1.00
74.35
ATOM 1011 OE1 GLU 125 21.328 31.098 5.703 1.00
72.15
ATOM 1012 OE2 GLU 125 20.083 32.894 5.837 1.00
83.11
ATOM 1013 N PHE 126 18.771 26.302 4.760 1.00
38.60
ATOM 1014 CA PHE 126 18.862 24.866 5.031 1.00
36.65
ATOM 1015 C PHE 126 19.960 24.277 4.206 1.00
40.69
ATOM 1016 O PHE 126 20.761 23.478 4.690 1.00
41.76
ATOM 1017 CB PHE 126 17.562 24.160 4.686 1.00
32.29
ATOM 1018 CG PHE 126 16.462 24.410 5.669 1.00
37.63
ATOM 1019 CD1 PHE 126 16.704 24.358 7.030 1.00
37.22
ATOM 1020 CD2 PHE 126 15.173 24.718 5.229 1.00
43.04
ATOM 1021 CE1 PHE 126 15.665 24.605 7.945 1.00
35.06
ATOM 1022 CE2 PHE 126 14.126 24.969 6.140 1.00
37.46
ATOM 1023 CZ PHE 126 14.376 24.913 7.494 1.00
27.46
ATOM 1024 N GLY 127 20.018 24.729 2.963 1.00
51.69
ATOM 1025 CA GLY 127 21.033 24.260 2.040 1.00
57.61
ATOM 1026 C GLY 127 22.440 24.695 2.391 1.00
58.51
ATOM 1027 O GLY 127 23.338 23.850 2.481 1.00
54.63
ATOM 1028 N TRP 128 22.625 25.994 2.624 1.00
56.85
ATOM 1029 CA TRP 128 23.942 26.504 2.944 1.00
61.47
ATOM 1030 C TRP 128 24.433 25.986 4.301 1.00
59.21
ATOM 1031 O TRP 128 25.614 25.649 4.469 1.00
55.17
ATOM 1032 CB TRP 128 23.966 28.039 2.770 1.00
77.04
ATOM 1033 CG TRP 128 24.441 28.924 3.938 1.00
99.05
ATOM 1034 CD1 TRP 128 23.779 30.018 4.436
1.00103.16
ATOM 1035 CD2 TRP 128 25.693 28.847 4.686
1.00107.94
ATOM 1036 NE1 TRP 128 24.528 30.622 5.430
1.00107.43
ATOM 1037 CE2 TRP 128 25.701 29.929 5.606
1.00109.90
ATOM 1038 CE3 TRP 128 26.801 27.976 4.667
1.00108.72
ATOM 1039 CZ2 TRP 128 26.778 30.157 6.503
1.00110.69
ATOM 1040 CZ3 TRP 128 27.871 28.204 5.561
1.00110.67
ATOM 1041 CH2 TRP 128 27.845 29.286 6.462
1.00111.09
ATOM 1042 N LEU 129 23.500 25.779 5.221 1.00
56.75
ATOM 1043 CA LEU 129 23.851 25.286 6.546 1.00
54.04
ATOM 1044 C LEU 129 24.012 23.767 6.640 1.00
56.56
ATOM 1045 O LEU 129 24.629 23.277 7.587 1.00
62.03
ATOM 1046 CB LEU 129 22.839 25.782 7.583 1.00
52.49
ATOM 1047 CG LEU 129 23.080 27.184 8.151 1.00
42.33
ATOM 1048 CD1 LEU 129 21.835 27.737 8.827 1.00
39.02
ATOM 1049 CD2 LEU 129 24.229 27.123 9.128 1.00
43.89
ATOM 1050 N GLN 130 23.462 23.020 5.684 1.00
53.42
ATOM 1051 CA GLN 130 23.560 21.561 5.708 1.00
57.87
ATOM 1052 C GLN 130 22.788 20.960 6.890 1.00
54.98
ATOM 1053 O GLN 130 23.268 20.039 7.571 1.00
53.85
ATOM 1054 CB GLN 130 25.028 21.103 5.774 1.00
67.87
ATOM 1055 CG GLN 130 25.773 21.088 4.438 1.00
83.30
ATOM 1056 CD GLN 130 27.115 20.345 4.507 1.00
91.19
ATOM 1057 OE1 GLN 130 27.910 20.564 5.428 1.00
96.98
ATOM 1058 NE2 GLN 130 27.368 19.463 3.532 1.00
87.09
ATOM 1059 N ILE 131 21.597 21.494 7.131 1.00
49.17
ATOM 1060 CA ILE 131 20.728 21.040 8.219 1.00
45.76
ATOM 1061 C ILE 131 20.348 19.545 8.071 1.00
47.10
ATOM 1062 O ILE 131 19.766 19.135 7.059 1.00
40.12
ATOM 1063 CB ILE 131 19.414 21.894 8.258 1.00
38.57
ATOM 1064 CG1 ILE 131 19.733 23.388 8.383 1.00
36.16
ATOM 1065 CG2 ILE 131 18.532 21.450 9.379 1.00
36.81
ATOM 1066 CD1 ILE 131 20.686 23.691 9.480 1.00
27.19
ATOM 1067 N THR 132 20.735 18.725 9.045 1.00
46.19
ATOM 1068 CA THR 132 20.386 17.310 9.026 1.00
47.55
ATOM 1069 C THR 132 18.883 17.205 9.354 1.00
48.95
ATOM 1070 O THR 132 18.345 18.013 10.125 1.00
55.00
ATOM 1071 CB THR 132 21.222 16.474 10.060 1.00
47.29
ATOM 1072 OG1 THR 132 20.773 16.729 11.396 1.00
53.15
ATOM 1073 CG2 THR 132 22.696 16.813 9.968 1.00
53.33
ATOM 1074 N PRO 133 18.170 16.238 8.740 1.00
47.30
ATOM 1075 CA PRO 133 16.733 16.068 9.000 1.00
42.31
ATOM 1076 C PRO 133 16.353 15.955 10.476 1.00
38.64
ATOM 1077 O PRO 133 15.193 16.130 10.835 1.00
40.23
ATOM 1078 CB PRO 133 16.404 14.799 8.221 1.00
47.59
ATOM 1079 CG PRO 133 17.285 14.951 7.007 1.00
46.66
ATOM 1080 CD PRO 133 18.603 15.381 7.615 1.00
45.27
ATOM 1081 N GLN 134 17.351 15.682 11.310 1.00
41.68
ATOM 1082 CA GLN 134 17.210 15.560 12.754 1.00
43.58
ATOM 1083 C GLN 134 17.275 16.959 13.403 1.00
48.44
ATOM 1084 O GLN 134 16.505 17.266 14.329 1.00
49.81
ATOM 1085 CB GLN 134 18.338 14.684 13.311 1.00
46.98
ATOM 1086 CG GLN 134 18.321 13.250 12.830 1.00
46.45
ATOM 1087 CD GLN 134 18.685 13.116 11.373 1.00
48.73
ATOM 1088 OE1 GLN 134 19.827 13.413 10.968 1.00
53.22
ATOM 1089 NE2 GLN 134 17.727 12.666 10.566 1.00
43.12
ATOM 1090 N GLU 135 18.218 17.790 12.950 1.00
41.48
ATOM 1091 CA GLU 135 18.322 19.142 13.483 1.00
32.56
ATOM 1092 C GLU 135 17.034 19.841 13.133 1.00
34.21
ATOM 1093 O GLU 135 16.456 20.543 13.951 1.00
39.30
ATOM 1094 CB GLU 135 19.485 19.869 12.879 1.00
27.56
ATOM 1095 CG GLU 135 20.796 19.325 13.342 1.00
33.55
ATOM 1096 CD GLU 135 21.903 19.778 12.436 1.00
40.34
ATOM 1097 OE1 GLU 135 21.618 20.023 11.249 1.00
39.58
ATOM 1098 OE2 GLU 135 23.057 19.915 12.882 1.00
46.91
ATOM 1099 N PHE 136 16.541 19.584 11.932 1.00
32.10
ATOM 1100 CA PHE 136 15.286 20.166 11.519 1.00
26.58
ATOM 1101 C PHE 136 14.157 19.876 12.497 1.00
29.08
ATOM 1102 O PHE 136 13.528 20.793 13.024 1.00
38.23
ATOM 1103 CB PHE 136 14.872 19.663 10.142 1.00
24.46
ATOM 1104 CG PHE 136 13.445 20.032 9.767 1.00
35.13
ATOM 1105 CD1 PHE 136 13.091 21.361 9.540 1.00
36.25
ATOM 1106 CD2 PHE 136 12.468 19.048 9.617 1.00
38.14
ATOM 1107 CE1 PHE 136 11.795 21.712 9.164 1.00
27.83
ATOM 1108 CE2 PHE 136 11.163 19.385 9.238 1.00
39.32
ATOM 1109 CZ PHE 136 10.826 20.723 9.011 1.00
38.61
ATOM 1110 N LEU 137 13.887 18.600 12.728 1.00
30.73
ATOM 1111 CA LEU 137 12.784 18.215 13.586 1.00
28.43
ATOM 1112 C LEU 137 12.880 18.799 14.946 1.00
26.10
ATOM 1113 O LEU 137 11.881 19.243 15.493 1.00
34.14
ATOM 1114 CB LEU 137 12.648 16.702 13.661 1.00
34.10
ATOM 1115 CG LEU 137 12.000 16.079 12.423 1.00
43.20
ATOM 1116 CD1 LEU 137 12.046 14.617 12.600 1.00
36.94
ATOM 1117 CD2 LEU 137 10.549 16.523 12.252 1.00
44.97
ATOM 1118 N CYS 138 14.082 18.836 15.493 1.00
27.20
ATOM 1119 CA CYS 138 14.250 19.396 16.831 1.00
39.83
ATOM 1120 C CYS 138 13.904 20.894 16.843 1.00
41.37
ATOM 1121 O CYS 138 13.145 21.367 17.704 1.00
38.83
ATOM 1122 CB CYS 138 15.669 19.143 17.341 1.00
43.31
ATOM 1123 SG CYS 138 16.021 17.398 17.526 1.00
37.47
ATOM 1124 N MET 139 14.420 21.610 15.846 1.00
38.56
ATOM 1125 CA MET 139 14.161 23.027 15.692 1.00
33.72
ATOM 1126 C MET 139 12.662 23.301 15.488 1.00
31.70
ATOM 1127 O MET 139 12.093 24.168 16.148 1.00
37.83
ATOM 1128 CB MET 139 14.973 23.589 14.519 1.00
37.50
ATOM 1129 CG MET 139 16.474 23.539 14.740 1.00
38.94
ATOM 1130 SD MET 139 17.486 24.563 13.596 1.00
42.84
ATOM 1131 CE MET 139 17.165 23.799 12.065 1.00
49.58
ATOM 1132 N LYS 140 12.006 22.545 14.617 1.00
27.59
ATOM 1133 CA LYS 140 10.597 22.787 14.378 1.00
27.15
ATOM 1134 C LYS 140 9.841 22.681 15.686 1.00
29.83
ATOM 1135 O LYS 140 8.954 23.486 15.952 1.00
35.67
ATOM 1136 CB LYS 140 10.029 21.837 13.313 1.00
24.49
ATOM 1137 CG LYS 140 8.598 22.158 12.811 1.00
23.62
ATOM 1138 CD LYS 140 8.148 21.143 11.740 1.00
24.64
ATOM 1139 CE LYS 140 7.157 20.101 12.280 1.00
29.39
ATOM 1140 NZ LYS 140 5.683 20.529 12.198 1.00
36.92
ATOM 1141 N ALA 141 10.220 21.727 16.530 1.00
32.53
ATOM 1142 CA ALA 141 9.553 21.557 17.826 1.00
38.51
ATOM 1143 C ALA 141 9.786 22.766 18.749 1.00
43.27
ATOM 1144 O ALA 141 8.844 23.305 19.346 1.00
43.55
ATOM 1145 CB ALA 141 10.029 20.295 18.501 1.00
25.72
ATOM 1146 N LEU 142 11.042 23.193 18.836 1.00
41.18
ATOM 1147 CA LEU 142 11.460 24.340 19.651 1.00
40.05
ATOM 1148 C LEU 142 10.732 25.626 19.269 1.00
38.85
ATOM 1149 O LEU 142 10.445 26.460 20.134 1.00
38.70
ATOM 1150 CB LEU 142 12.961 24.534 19.502 1.00
39.64
ATOM 1151 CG LEU 142 13.779 25.313 20.524 1.00
43.39
ATOM 1152 CD1 LEU 142 13.361 24.959 21.942 1.00
41.58
ATOM 1153 CD2 LEU 142 15.256 24.981 20.284 1.00
34.95
ATOM 1154 N LEU 143 10.409 25.763 17.982 1.00
31.82
ATOM 1155 CA LEU 143 9.683 26.923 17.489 1.00
34.47
ATOM 1156 C LEU 143 8.359 27.093 18.200 1.00
35.94
ATOM 1157 O LEU 143 7.918 28.219 18.435 1.00
47.05
ATOM 1158 CB LEU 143 9.384 26.811 15.988 1.00
33.79
ATOM 1159 CG LEU 143 10.309 27.474 14.973 1.00
28.95
ATOM 1160 CD1 LEU 143 9.523 27.595 13.709 1.00
30.30
ATOM 1161 CD2 LEU 143 10.767 28.875 15.444 1.00
20.35
ATOM 1162 N LEU 144 7.713 25.978 18.527 1.00
31.68
ATOM 1163 CA LEU 144 6.418 26.032 19.190 1.00
30.90
ATOM 1164 C LEU 144 6.459 26.850 20.469 1.00
29.57
ATOM 1165 O LEU 144 5.476 27.486 20.836 1.00
35.81
ATOM 1166 CB LEU 144 5.934 24.622 19.511 1.00
29.23
ATOM 1167 CG LEU 144 4.600 24.544 20.281 1.00
34.64
ATOM 1168 CD1 LEU 144 3.428 25.002 19.417 1.00
30.86
ATOM 1169 CD2 LEU 144 4.355 23.144 20.738 1.00
31.58
ATOM 1170 N PHE 145 7.604 26.788 21.144 1.00
32.36
ATOM 1171 CA PHE 145 7.862 27.480 22.405 1.00
36.84
ATOM 1172 C PHE 145 8.709 28.693 22.180 1.00
36.98
ATOM 1173 O PHE 145 9.584 28.983 22.996 1.00
34.78
ATOM 1174 CB PHE 145 8.669 26.585 23.335 1.00
39.81
ATOM 1175 CG PHE 145 8.119 25.242 23.454 1.00
42.06
ATOM 1176 CD1 PHE 145 6.837 25.057 23.960 1.00
40.53
ATOM 1177 CD2 PHE 145 8.826 24.156 22.984 1.00
43.44
ATOM 1178 CE1 PHE 145 6.255 23.794 23.990 1.00
49.40
ATOM 1179 CE2 PHE 145 8.259 22.884 23.006 1.00
48.76
ATOM 1180 CZ PHE 145 6.966 22.698 23.510 1.00
49.26
ATOM 1181 N SER 146 8.488 29.380 21.071 1.00
39.85
ATOM 1182 CA SER 146 9.284 30.547 20.748 1.00
40.33
ATOM 1183 C SER 146 8.531 31.858 20.778 1.00
34.59
ATOM 1184 O SER 146 9.125 32.897 20.612 1.00
39.81
ATOM 1185 CB SER 146 9.938 30.364 19.374 1.00
45.33
ATOM 1186 OG SER 146 11.096 29.544 19.469 1.00
51.73
ATOM 1187 N ILE 147 7.242 31.838 21.040 1.00
38.17
ATOM 1188 CA ILE 147 6.508 33.083 21.033 1.00
46.03
ATOM 1189 C ILE 147 5.456 33.076 22.149 1.00
46.20
ATOM 1190 O ILE 147 4.526 32.260 22.112 1.00
45.64
ATOM 1191 CB ILE 147 5.937 33.329 19.597 1.00
49.44
ATOM 1192 CG1 ILE 147 4.943 34.477 19.593 1.00
50.62
ATOM 1193 CG2 ILE 147 5.401 32.041 18.971 1.00
50.44
ATOM 1194 CD1 ILE 147 5.406 35.592 18.748 1.00
55.65
ATOM 1195 N ILE 148 5.645 33.950 23.152 1.00
47.67
ATOM 1196 CA ILE 148 4.762 34.056 24.344 1.00
46.12
ATOM 1197 C ILE 148 4.302 35.482 24.731 1.00
42.20
ATOM 1198 O ILE 148 5.002 36.460 24.436 1.00
43.23
ATOM 1199 CB ILE 148 5.446 33.417 25.609 1.00
50.07
ATOM 1200 CG1 ILE 148 6.701 34.194 26.018 1.00
49.09
ATOM 1201 CG2 ILE 148 5.819 31.970 25.326 1.00
52.85
ATOM 1202 CD1 ILE 148 7.442 33.578 27.204 1.00
37.43
ATOM 1203 N PRO 149 3.123 35.618 25.402 1.00
37.07
ATOM 1204 CA PRO 149 2.619 36.933 25.811 1.00
40.94
ATOM 1205 C PRO 149 3.702 37.599 26.659 1.00
49.75
ATOM 1206 O PRO 149 4.595 36.891 27.163 1.00
47.60
ATOM 1207 CB PRO 149 1.396 36.581 26.662 1.00
27.66
ATOM 1208 CG PRO 149 0.902 35.368 26.063 1.00
28.99
ATOM 1209 CD PRO 149 2.186 34.579 25.855 1.00
33.43
ATOM 1210 N VAL 150 3.663 38.933 26.798 1.00
57.41
ATOM 1211 CA VAL 150 4.690 39.631 27.592 1.00
58.97
ATOM 1212 C VAL 150 4.728 39.410 29.124 1.00
59.31
ATOM 1213 O VAL 150 5.801 39.574 29.720 1.00
63.79
ATOM 1214 CB VAL 150 4.893 41.127 27.206 1.00
54.46
ATOM 1215 CG1 VAL 150 5.738 41.211 25.950 1.00
49.94
ATOM 1216 CG2 VAL 150 3.575 41.824 27.009 1.00
53.66
ATOM 1217 N ASP 151 3.607 39.061 29.769 1.00
56.35
ATOM 1218 CA ASP 151 3.654 38.741 31.212 1.00
61.78
ATOM 1219 C ASP 151 4.167 37.302 31.212 1.00
63.93
ATOM 1220 O ASP 151 5.322 36.998 31.566 1.00
69.29
ATOM 1221 CB ASP 151 2.270 38.746 31.869 1.00
60.71
ATOM 1222 CG ASP 151 1.174 39.031 30.888 1.00
71.79
ATOM 1223 OD1 ASP 151 0.947 40.218 30.600 1.00
78.23
ATOM 1224 OD2 ASP 151 0.577 38.069 30.373 1.00
78.87
ATOM 1225 N GLY 152 3.296 36.419 30.758 1.00
57.92
ATOM 1226 CA GLY 152 3.652 35.034 30.672 1.00
46.58
ATOM 1227 C GLY 152 2.369 34.304 30.440 1.00
45.74
ATOM 1228 O GLY 152 1.293 34.894 30.200 1.00
40.14
ATOM 1229 N LEU 153 2.497 32.995 30.500 1.00
46.98
ATOM 1230 CA LEU 153 1.378 32.105 30.327 1.00
47.93
ATOM 1231 C LEU 153 0.787 31.902 31.733 1.00
47.05
ATOM 1232 O LEU 153 1.456 32.188 32.737 1.00
45.88
ATOM 1233 CB LEU 153 1.905 30.808 29.708 1.00
54.39
ATOM 1234 CG LEU 153 2.560 31.017 28.336 1.00
50.67
ATOM 1235 CD1 LEU 153 3.858 30.259 28.235 1.00
43.32
ATOM 1236 CD2 LEU 153 1.602 30.622 27.240 1.00
46.90
ATOM 1237 N LYS 154 -0.437 31.393 31.820 1.00
48.17
ATOM 1238 CA LYS 154 -1.103 31.181 33.105 1.00
52.88
ATOM 1239 C LYS 154 -0.449 30.065 33.935 1.00
59.84
ATOM 1240 O LYS 154 -1.111 29.361 34.709 1.00
62.81
ATOM 1241 CB LYS 154 -2.609 30.951 32.880 1.00
56.87
ATOM 1242 CG LYS 154 -3.321 32.193 32.288 1.00
65.23
ATOM 1243 CD LYS 154 -4.729 31.923 31.719 1.00
63.38
ATOM 1244 CE LYS 154 -5.371 33.194 31.088 1.00
65.28
ATOM 1245 NZ LYS 154 -4.534 33.875 30.032 1.00
59.84
ATOM 1246 N ASN 155 0.862 29.930 33.744 1.00
62.47
ATOM 1247 CA ASN 155 1.739 28.988 34.419 1.00
60.37
ATOM 1248 C ASN 155 3.025 28.904 33.616 1.00
58.03
ATOM 1249 O ASN 155 3.364 27.879 33.017 1.00
50.60
ATOM 1250 CB ASN 155 1.138 27.611 34.544 1.00
65.57
ATOM 1251 CG ASN 155 2.094 26.649 35.178 1.00
75.73
ATOM 1252 OD1 ASN 155 3.101 27.051 35.811 1.00
68.88
ATOM 1253 ND2 ASN 155 1.830 25.367 34.986 1.00
81.03
ATOM 1254 N GLN 156 3.743 30.012 33.631 1.00
59.10
ATOM 1255 CA GLN 156 4.993 30.158 32.914 1.00
56.38
ATOM 1256 C GLN 156 6.069 29.145 33.329 1.00
54.52
ATOM 1257 O GLN 156 6.826 28.677 32.483 1.00
53.91
ATOM 1258 CB GLN 156 5.485 31.592 33.129 1.00
56.68
ATOM 1259 CG GLN 156 6.761 31.972 32.412 1.00
54.92
ATOM 1260 CD GLN 156 6.532 32.329 30.976 1.00
59.81
ATOM 1261 OE1 GLN 156 5.462 32.833 30.602 1.00
57.91
ATOM 1262 NE2 GLN 156 7.533 32.078 30.150 1.00
62.36
ATOM 1263 N LYS 157 6.099 28.777 34.613 1.00
55.18
ATOM 1264 CA LYS 157 7.098 27.841 35.160 1.00
53.31
ATOM 1265 C LYS 157 7.351 26.550 34.357 1.00
46.62
ATOM 1266 O LYS 157 8.497 26.236 34.015 1.00
40.85
ATOM 1267 CB LYS 157 6.769 27.515 36.626 1.00
57.76
ATOM 1268 CG LYS 157 7.128 28.634 37.617 1.00
64.19
ATOM 1269 CD LYS 157 6.432 28.463 38.979 1.00
77.45
ATOM 1270 CE LYS 157 7.122 29.254 40.125 1.00
86.97
ATOM 1271 NZ LYS 157 7.186 30.763 40.023 1.00
89.42
ATOM 1272 N PHE 158 6.285 25.811 34.053 1.00
46.35
ATOM 1273 CA PHE 158 6.399 24.562 33.288 1.00
47.42
ATOM 1274 C PHE 158 6.892 24.863 31.853 1.00
48.67
ATOM 1275 O PHE 158 7.847 24.243 31.395 1.00
48.05
ATOM 1276 CB PHE 158 5.063 23.774 33.273 1.00
43.87
ATOM 1277 CG PHE 158 4.588 23.295 34.653 1.00
56.48
ATOM 1278 CD1 PHE 158 5.443 23.288 35.770 1.00
62.15
ATOM 1279 CD2 PHE 158 3.273 22.832 34.831 1.00
60.89
ATOM 1280 CE1 PHE 158 4.994 22.827 37.040 1.00
53.25
ATOM 1281 CE2 PHE 158 2.813 22.367 36.097 1.00
53.93
ATOM 1282 CZ PHE 158 3.681 22.368 37.193 1.00
51.47
ATOM 1283 N PHE 159 6.272 25.835 31.168 1.00
44.70
ATOM 1284 CA PHE 159 6.670 26.234 29.800 1.00
40.53
ATOM 1285 C PHE 159 8.181 26.414 29.746 1.00
37.37
ATOM 1286 O PHE 159 8.848 25.934 28.835 1.00
35.40
ATOM 1287 CB PHE 159 5.964 27.558 29.375 1.00
35.40
ATOM 1288 CG PHE 159 6.497 28.177 28.070 1.00
31.04
ATOM 1289 CD1 PHE 159 7.750 28.793 28.018 1.00
32.73
ATOM 1290 CD2 PHE 159 5.742 28.125 26.900 1.00
34.40
ATOM 1291 CE1 PHE 159 8.239 29.331 26.834 1.00
34.03
ATOM 1292 CE2 PHE 159 6.225 28.664 25.705 1.00
26.27
ATOM 1293 CZ PHE 159 7.472 29.265 25.676 1.00
30.82
ATOM 1294 N ASP 160 8.705 27.105 30.745 1.00
42.94
ATOM 1295 CA ASP 160 10.120 27.388 30.829 1.00
49.10
ATOM 1296 C ASP 160 10.933 26.130 31.071 1.00
49.16
ATOM 1297 O ASP 160 12.107 26.056 30.681 1.00
48.64
ATOM 1298 CB ASP 160 10.371 28.459 31.899 1.00
53.78
ATOM 1299 CG ASP 160 9.730 29.810 31.539 1.00
65.91
ATOM 1300 OD1 ASP 160 9.610 30.121 30.329 1.00
69.82
ATOM 1301 OD2 ASP 160 9.357 30.576 32.461 1.00
63.94
ATOM 1302 N GLU 161 10.313 25.138 31.703 1.00
49.55
ATOM 1303 CA GLU 161 10.997 23.875 31.941 1.00
49.00
ATOM 1304 C GLU 161 10.952 23.103 30.622 1.00
37.58
ATOM 1305 O GLU 161 11.969 22.573 30.177 1.00
35.86
ATOM 1306 CB GLU 161 10.350 23.073 33.076 1.00
61.68
ATOM 1307 CG GLU 161 11.366 22.268 33.925 1.00
81.07
ATOM 1308 CD GLU 161 10.939 20.814 34.222 1.00
92.42
ATOM 1309 OE1 GLU 161 9.952 20.603 34.969 1.00
97.07
ATOM 1310 OE2 GLU 161 11.619 19.881 33.727 1.00
91.99
ATOM 1311 N LEU 162 9.794 23.102 29.962 1.00
33.30
ATOM 1312 CA LEU 162 9.626 22.436 28.661 1.00
37.63
ATOM 1313 C LEU 162 10.621 23.003 27.673 1.00
41.33
ATOM 1314 O LEU 162 11.366 22.261 27.031 1.00
46.84
ATOM 1315 CB LEU 162 8.240 22.701 28.083 1.00
30.37
ATOM 1316 CG LEU 162 7.257 21.551 28.118 1.00
39.95
ATOM 1317 CD1 LEU 162 6.108 21.877 27.212 1.00
34.14
ATOM 1318 CD2 LEU 162 7.951 20.268 27.671 1.00
49.69
ATOM 1319 N ARG 163 10.621 24.333 27.566 1.00
44.13
ATOM 1320 CA ARG 163 11.504 25.048 26.658 1.00
40.24
ATOM 1321 C ARG 163 12.977 24.673 26.862 1.00
37.21
ATOM 1322 O ARG 163 13.690 24.354 25.901 1.00
37.75
ATOM 1323 CB ARG 163 11.285 26.566 26.765 1.00
34.87
ATOM 1324 CG ARG 163 12.179 27.322 25.816 1.00
34.44
ATOM 1325 CD ARG 163 11.915 28.804 25.731 1.00
38.71
ATOM 1326 NE ARG 163 13.020 29.423 25.006 1.00
39.34
ATOM 1327 CZ ARG 163 13.073 29.573 23.682 1.00
44.99
ATOM 1328 NH1 ARG 163 12.060 29.164 22.926 1.00
40.07
ATOM 1329 NH2 ARG 163 14.178 30.050 23.104 1.00
41.88
ATOM 1330 N MET 164 13.411 24.625 28.116 1.00
38.65
ATOM 1331 CA MET 164 14.799 24.281 28.440 1.00
43.09
ATOM 1332 C MET 164 15.239 22.880 27.996 1.00
44.84
ATOM 1333 O MET 164 16.400 22.662 27.602 1.00
43.33
ATOM 1334 CB MET 164 15.065 24.409 29.941 1.00
41.77
ATOM 1335 CG MET 164 16.486 23.967 30.274 1.00
50.47
ATOM 1336 SD MET 164 16.856 23.608 31.997 1.00
61.59
ATOM 1337 CE MET 164 15.233 23.187 32.715 1.00
51.34
ATOM 1338 N ASN 165 14.339 21.914 28.141 1.00
46.14
ATOM 1339 CA ASN 165 14.661 20.552 27.754 1.00
44.12
ATOM 1340 C ASN 165 14.756 20.387 26.255 1.00
40.57
ATOM 1341 O ASN 165 15.670 19.729 25.766 1.00
45.06
ATOM 1342 CB ASN 165 13.689 19.580 28.379 1.00
47.22
ATOM 1343 CG ASN 165 14.098 19.202 29.782 1.00
44.35
ATOM 1344 OD1 ASN 165 15.262 18.849 30.041 1.00
53.06
ATOM 1345 ND2 ASN 165 13.161 19.299 30.705 1.00
42.24
ATOM 1346 N TYR 166 13.866 21.048 25.523 1.00
35.70
ATOM 1347 CA TYR 166 13.923 21.006 24.074 1.00
36.60
ATOM 1348 C TYR 166 15.260 21.582 23.589 1.00
35.58
ATOM 1349 O TYR 166 15.891 21.044 22.670 1.00
39.23
ATOM 1350 CB TYR 166 12.723 21.729 23.473 1.00
33.03
ATOM 1351 CG TYR 166 11.480 20.849 23.446 1.00
39.21
ATOM 1352 CD1 TYR 166 10.724 20.630 24.597 1.00
41.70
ATOM 1353 CD2 TYR 166 11.085 20.196 22.274 1.00
38.14
ATOM 1354 CE1 TYR 166 9.598 19.774 24.587 1.00
44.38
ATOM 1355 CE2 TYR 166 9.959 19.337 22.255 1.00
42.60
ATOM 1356 CZ TYR 166 9.229 19.132 23.416 1.00
42.12
ATOM 1357 OH TYR 166 8.164 18.264 23.404 1.00
38.82
ATOM 1358 N ILE 167 15.754 22.607 24.275 1.00
37.68
ATOM 1359 CA ILE 167 17.042 23.197 23.901 1.00
42.31
ATOM 1360 C ILE 167 18.103 22.133 24.060 1.00
42.75
ATOM 1361 O ILE 167 18.995 21.997 23.217 1.00
45.95
ATOM 1362 CB ILE 167 17.408 24.417 24.782 1.00
37.10
ATOM 1363 CG1 ILE 167 16.357 25.512 24.558 1.00
41.30
ATOM 1364 CG2 ILE 167 18.832 24.912 24.457 1.00
29.58
ATOM 1365 CD1 ILE 167 16.610 26.802 25.286 1.00
39.55
ATOM 1366 N LYS 168 17.980 21.373 25.144 1.00
44.22
ATOM 1367 CA LYS 168 18.925 20.313 25.442 1.00
44.77
ATOM 1368 C LYS 168 18.846 19.252 24.363 1.00
41.28
ATOM 1369 O LYS 168 19.866 18.780 23.914 1.00
46.84
ATOM 1370 CB LYS 168 18.655 19.694 26.813 1.00
46.26
ATOM 1371 CG LYS 168 19.116 20.512 28.011 1.00
49.87
ATOM 1372 CD LYS 168 18.609 19.834 29.274 1.00
50.55
ATOM 1373 CE LYS 168 19.311 20.321 30.524 1.00
51.77
ATOM 1374 NZ LYS 168 18.709 19.697 31.735 1.00
52.70
ATOM 1375 N GLU 169 17.655 18.928 23.883 1.00
40.62
ATOM 1376 CA GLU 169 17.543 17.899 22.851 1.00
44.21
ATOM 1377 C GLU 169 18.253 18.344 21.603 1.00
43.91
ATOM 1378 O GLU 169 18.902 17.549 20.922 1.00
49.11
ATOM 1379 CB GLU 169 16.077 17.573 22.516 1.00
43.88
ATOM 1380 CG GLU 169 15.226 17.032 23.675 1.00
44.03
ATOM 1381 CD GLU 169 15.937 15.978 24.534 1.00
50.34
ATOM 1382 OE1 GLU 169 16.915 15.332 24.076 1.00
45.21
ATOM 1383 OE2 GLU 169 15.512 15.804 25.696 1.00
56.07
ATOM 1384 N LEU 170 18.113 19.627 21.305 1.00
44.87
ATOM 1385 CA LEU 170 18.739 20.218 20.139 1.00
43.87
ATOM 1386 C LEU 170 20.244 20.120 20.285 1.00
42.53
ATOM 1387 O LEU 170 20.949 19.835 19.332 1.00
42.95
ATOM 1388 CB LEU 170 18.324 21.675 20.019 1.00
42.66
ATOM 1389 CG LEU 170 19.051 22.463 18.932 1.00
44.98
ATOM 1390 CD1 LEU 170 18.810 21.814 17.567 1.00
39.69
ATOM 1391 CD2 LEU 170 18.571 23.909 18.964 1.00
37.64
ATOM 1392 N ASP 171 20.713 20.346 21.501 1.00
44.58
ATOM 1393 CA ASP 171 22.129 20.286 21.844 1.00
52.02
ATOM 1394 C ASP 171 22.630 18.829 21.696 1.00
57.30
ATOM 1395 O ASP 171 23.750 18.569 21.224 1.00
54.16
ATOM 1396 CB ASP 171 22.262 20.760 23.305 1.00
59.66
ATOM 1397 CG ASP 171 23.673 21.234 23.674 1.00
66.70
ATOM 1398 OD1 ASP 171 24.584 21.284 22.812 1.00
65.99
ATOM 1399 OD2 ASP 171 23.850 21.598 24.860 1.00
68.25
ATOM 1400 N ARG 172 21.768 17.884 22.081 1.00
62.29
ATOM 1401 CA ARG 172 22.065 16.453 22.022 1.00
62.05
ATOM 1402 C ARG 172 22.280 16.022 20.591 1.00
60.23
ATOM 1403 O ARG 172 23.331 15.468 20.268 1.00
57.37
ATOM 1404 CB ARG 172 20.927 15.623 22.643 1.00
61.97
ATOM 1405 CG ARG 172 21.035 14.114 22.407 1.00
62.90
ATOM 1406 CD ARG 172 20.219 13.320 23.422 1.00
62.88
ATOM 1407 NE ARG 172 20.676 13.542 24.799 1.00
67.96
ATOM 1408 CZ ARG 172 19.875 13.676 25.861 1.00
65.20
ATOM 1409 NH1 ARG 172 18.550 13.618 25.718 1.00
60.29
ATOM 1410 NH2 ARG 172 20.404 13.889 27.066 1.00
61.82
ATOM 1411 N ILE 173 21.298 16.311 19.739 1.00
57.25
ATOM 1412 CA ILE 173 21.344 15.956 18.325 1.00
64.29
ATOM 1413 C ILE 173 22.494 16.602 17.508 1.00
71.86
ATOM 1414 O ILE 173 22.706 16.276 16.327 1.00
78.18
ATOM 1415 CB ILE 173 19.998 16.261 17.674 1.00
66.05
ATOM 1416 CG1 ILE 173 19.813 17.765 17.505 1.00
60.52
ATOM 1417 CG2 ILE 173 18.887 15.730 18.567 1.00
69.45
ATOM 1418 CD1 ILE 173 18.835 18.115 16.439 1.00
55.24
ATOM 1419 N ILE 174 23.210 17.541 18.127 1.00
74.71
ATOM 1420 CA ILE 174 24.354 18.208 17.489 1.00
72.84
ATOM 1421 C ILE 174 25.643 17.430 17.845 1.00
76.76
ATOM 1422 O ILE 174 26.431 17.080 16.952 1.00
76.88
ATOM 1423 CB ILE 174 24.507 19.684 17.990 1.00
62.10
ATOM 1424 CG1 ILE 174 23.312 20.522 17.569 1.00
54.67
ATOM 1425 CG2 ILE 174 25.769 20.303 17.439 1.00
59.08
ATOM 1426 CD1 ILE 174 23.101 20.519 16.109 1.00
56.78
ATOM 1427 N ALA 175 25.819 17.166 19.152 1.00
82.38
ATOM 1428 CA ALA 175 26.979 16.461 19.733 1.00
81.09
ATOM 1429 C ALA 175 26.960 14.955 19.524 1.00
79.83
ATOM 1430 O ALA 175 27.924 14.260 19.838 1.00
79.34
ATOM 1431 CB ALA 175 27.076 16.768 21.247 1.00
73.81
ATOM 1432 N CYX 176 25.872 14.469 18.947 1.00
80.33
ATOM 1433 CA CYX 176 25.657 13.052 18.721 1.00
80.34
ATOM 1434 C CYX 176 25.771 12.645 17.215 1.00
84.98
ATOM 1435 O CYX 176 25.056 11.750 16.759 1.00
90.65
ATOM 1436 CB CYX 176 24.269 12.717 19.315 1.00
80.98
ATOM 1437 SG CYX 176 24.002 11.110 20.120 1.00
93.38
ATOM 1438 N LYS 177 26.665 13.302 16.460 1.00
86.19
ATOM 1439 CA LYS 177 26.917 13.002 15.026 1.00
83.63
ATOM 1440 C LYS 177 28.420 13.101 14.620 1.00
90.32
ATOM 1441 O LYS 177 29.110 12.079 14.517 1.00
87.60
ATOM 1442 CB LYS 177 26.063 13.874 14.087 1.00
72.76
ATOM 1443 CG LYS 177 24.727 13.263 13.735 1.00
66.51
ATOM 1444 CD LYS 177 23.998 14.104 12.702 1.00
63.58
ATOM 1445 CE LYS 177 24.644 14.005 11.326 1.00
60.54
ATOM 1446 NZ LYS 177 23.795 13.251 10.351 1.00
57.84
ATOM 1447 N ARG 178 28.929 14.316 14.384 1.00
97.68
ATOM 1448 CA ARG 178 30.336 14.489 13.998 1.00
99.68
ATOM 1449 C ARG 178 31.289 15.076 15.097
1.00104.16
ATOM 1450 O ARG 178 31.315 14.556 16.229
1.00101.78
ATOM 1451 CB ARG 178 30.442 15.246 12.671 1.00
94.46
ATOM 1452 CG ARG 178 31.702 14.917 11.839 1.00
92.16
ATOM 1453 CD ARG 178 31.538 13.643 10.999 1.00
87.99
ATOM 1454 NE ARG 178 32.671 12.718 11.128 1.00
86.09
ATOM 1455 CZ ARG 178 32.667 11.463 10.675 1.00
85.82
ATOM 1456 NH1 ARG 178 31.583 10.985 10.058 1.00
79.74
ATOM 1457 NH2 ARG 178 33.720 10.666 10.891 1.00
82.90
ATOM 1458 N LYS 179 32.040 16.139 14.736
1.00109.20
ATOM 1459 CA LYS 179 33.061 16.820 15.585
1.00108.66
ATOM 1460 C LYS 179 32.769 17.424 16.961
1.00113.81
ATOM 1461 O LYS 179 31.596 17.569 17.368
1.00118.99
ATOM 1462 CB LYS 179 33.760 17.897 14.758 1.00
98.30
ATOM 1463 CG LYS 179 34.514 17.383 13.563 1.00
85.34
ATOM 1464 CD LYS 179 35.150 18.542 12.840 1.00
73.33
ATOM 1465 CE LYS 179 35.928 18.073 11.641 1.00
64.16
ATOM 1466 NZ LYS 179 36.604 19.219 10.996 1.00
56.55
ATOM 1467 N ASN 180 33.860 17.821 17.636
1.00115.89
ATOM 1468 CA ASN 180 33.904 18.449 18.991
1.00116.39
ATOM 1469 C ASN 180 35.379 18.906 19.266
1.00119.41
ATOM 1470 O ASN 180 36.305 18.286 18.735
1.00122.42
ATOM 1471 CB ASN 180 33.392 17.448 20.089
1.00106.55
ATOM 1472 CG ASN 180 33.984 16.032 19.955 1.00
99.70
ATOM 1473 OD1 ASN 180 35.078 15.825 19.426 1.00
96.25
ATOM 1474 ND2 ASN 180 33.240 15.046 20.457 1.00
89.90
ATOM 1475 N PRO 181 35.622 20.019 20.031
1.00119.93
ATOM 1476 CA PRO 181 34.808 21.031 20.742
1.00119.46
ATOM 1477 C PRO 181 34.292 22.298 20.008
1.00118.74
ATOM 1478 O PRO 181 33.082 22.562 20.025
1.00121.98
ATOM 1479 CB PRO 181 35.725 21.422 21.914
1.00118.16
ATOM 1480 CG PRO 181 37.063 21.454 21.259
1.00118.96
ATOM 1481 CD PRO 181 37.039 20.160 20.430
1.00120.61
ATOM 1482 N THR 182 35.178 23.098 19.399
1.00113.94
ATOM 1483 CA THR 182 34.738 24.330 18.701
1.00107.06
ATOM 1484 C THR 182 33.693 24.100 17.584
1.00103.74
ATOM 1485 O THR 182 32.820 24.944 17.372
1.00104.75
ATOM 1486 CB THR 182 35.931 25.182 18.134
1.00105.27
ATOM 1487 OG1 THR 182 36.538 24.500 17.025
1.00104.75
ATOM 1488 CG2 THR 182 36.976 25.482 19.222 1.00
99.79
ATOM 1489 N SER 183 33.788 22.949 16.909 1.00
98.29
ATOM 1490 CA SER 183 32.885 22.562 15.810 1.00
93.63
ATOM 1491 C SER 183 31.374 22.559 16.173 1.00
89.97
ATOM 1492 O SER 183 30.553 23.123 15.429 1.00
85.73
ATOM 1493 CB SER 183 33.319 21.185 15.262 1.00
93.65
ATOM 1494 OG SER 183 32.729 20.888 14.012 1.00
96.10
ATOM 1495 N CYS 184 31.000 21.964 17.311 1.00
87.36
ATOM 1496 CA CYS 184 29.587 21.932 17.706 1.00
85.60
ATOM 1497 C CYS 184 29.128 23.167 18.541 1.00
85.71
ATOM 1498 O CYS 184 27.929 23.468 18.592 1.00
81.46
ATOM 1499 CB CYS 184 29.260 20.605 18.409 1.00
85.66
ATOM 1500 SG CYS 184 29.511 20.548 20.196 1.00
92.38
ATOM 1501 N SER 185 30.071 23.873 19.184 1.00
88.63
ATOM 1502 CA SER 185 29.760 25.085 19.970 1.00
85.42
ATOM 1503 C SER 185 29.261 26.147 18.970 1.00
81.80
ATOM 1504 O SER 185 28.320 26.914 19.260 1.00
75.88
ATOM 1505 CB SER 185 31.015 25.615 20.702 1.00
83.41
ATOM 1506 OG SER 185 31.524 24.733 21.692 1.00
75.95
ATOM 1507 N ARG 186 29.929 26.190 17.806 1.00
77.44
ATOM 1508 CA ARG 186 29.586 27.108 16.721 1.00
75.23
ATOM 1509 C ARG 186 28.428 26.555 15.903 1.00
68.44
ATOM 1510 O ARG 186 27.614 27.325 15.381 1.00
64.21
ATOM 1511 CB ARG 186 30.803 27.423 15.831 1.00
83.31
ATOM 1512 CG ARG 186 31.492 26.211 15.215 1.00
95.75
ATOM 1513 CD ARG 186 32.915 26.540 14.706
1.00105.49
ATOM 1514 NE ARG 186 32.927 27.070 13.344
1.00111.61
ATOM 1515 CZ ARG 186 33.255 28.318 13.014
1.00107.74
ATOM 1516 NH1 ARG 186 33.614 29.182 13.963
1.00108.73
ATOM 1517 NH2 ARG 186 33.171 28.704 11.740
1.00100.08
ATOM 1518 N ARG 187 28.341 25.228 15.801 1.00
62.47
ATOM 1519 CA ARG 187 27.229 24.606 15.087 1.00
56.87
ATOM 1520 C ARG 187 25.922 24.945 15.831 1.00
55.34
ATOM 1521 O ARG 187 24.861 25.054 15.206 1.00
61.05
ATOM 1522 CB ARG 187 27.423 23.085 14.974 1.00
53.03
ATOM 1523 CG ARG 187 26.247 22.321 14.341 1.00
51.39
ATOM 1524 CD ARG 187 25.983 22.707 12.891 1.00
55.10
ATOM 1525 NE ARG 187 24.943 21.899 12.233 1.00
54.36
ATOM 1526 CZ ARG 187 24.745 21.858 10.911 1.00
55.00
ATOM 1527 NH1 ARG 187 25.517 22.579 10.110 1.00
52.83
ATOM 1528 NH2 ARG 187 23.796 21.094 10.384 1.00
48.85
ATOM 1529 N PHE 188 26.003 25.152 17.152 1.00
52.54
ATOM 1530 CA PHE 188 24.817 25.508 17.962 1.00
49.53
ATOM 1531 C PHE 188 24.438 26.974 17.738 1.00
48.70
ATOM 1532 O PHE 188 23.254 27.326 17.597 1.00
45.42
ATOM 1533 CB PHE 188 25.066 25.270 19.457 1.00
46.16
ATOM 1534 CG PHE 188 23.852 25.527 20.319 1.00
46.93
ATOM 1535 CD1 PHE 188 22.699 24.751 20.170 1.00
47.04
ATOM 1536 CD2 PHE 188 23.845 26.549 21.259 1.00
41.32
ATOM 1537 CE1 PHE 188 21.547 24.986 20.949 1.00
46.91
ATOM 1538 CE2 PHE 188 22.711 26.785 22.033 1.00
45.75
ATOM 1539 CZ PHE 188 21.553 25.999 21.877 1.00
42.35
ATOM 1540 N TYR 189 25.461 27.822 17.725 1.00
47.67
ATOM 1541 CA TYR 189 25.283 29.238 17.487 1.00
47.32
ATOM 1542 C TYR 189 24.503 29.373 16.181 1.00
44.87
ATOM 1543 O TYR 189 23.404 29.945 16.159 1.00
42.27
ATOM 1544 CB TYR 189 26.667 29.901 17.407 1.00
50.61
ATOM 1545 CG TYR 189 26.684 31.282 16.807 1.00
54.67
ATOM 1546 CD1 TYR 189 26.450 32.422 17.593 1.00
59.56
ATOM 1547 CD2 TYR 189 26.935 31.454 15.442 1.00
54.77
ATOM 1548 CE1 TYR 189 26.469 33.719 17.022 1.00
58.68
ATOM 1549 CE2 TYR 189 26.953 32.728 14.860 1.00
58.39
ATOM 1550 CZ TYR 189 26.720 33.855 15.647 1.00
61.97
ATOM 1551 OH TYR 189 26.725 35.091 15.035 1.00
56.70
ATOM 1552 N GLN 190 25.006 28.706 15.141 1.00
43.56
ATOM 1553 CA GLN 190 24.400 28.744 13.803 1.00
42.92
ATOM 1554 C GLN 190 22.927 28.400 13.731 1.00
43.62
ATOM 1555 O GLN 190 22.173 29.017 12.988 1.00
47.41
ATOM 1556 CB GLN 190 25.112 27.795 12.859 1.00
38.18
ATOM 1557 CG GLN 190 26.563 28.061 12.645 1.00
41.30
ATOM 1558 CD GLN 190 27.216 26.990 11.788 1.00
48.05
ATOM 1559 OE1 GLN 190 28.399 27.051 11.521 1.00
60.25
ATOM 1560 NE2 GLN 190 26.446 25.995 11.369 1.00
53.15
ATOM 1561 N LEU 191 22.523 27.372 14.452 1.00
46.85
ATOM 1562 CA LEU 191 21.136 26.956 14.407 1.00
44.50
ATOM 1563 C LEU 191 20.226 27.884 15.180 1.00
41.57
ATOM 1564 O LEU 191 19.091 28.129 14.764 1.00
41.55
ATOM 1565 CB LEU 191 20.998 25.529 14.919 1.00
49.03
ATOM 1566 CG LEU 191 21.571 24.412 14.044 1.00
51.91
ATOM 1567 CD1 LEU 191 21.563 23.090 14.809 1.00
49.78
ATOM 1568 CD2 LEU 191 20.736 24.301 12.793 1.00
54.19
ATOM 1569 N THR 192 20.712 28.393 16.307 1.00
36.22
ATOM 1570 CA THR 192 19.910 29.300 17.111 1.00
36.58
ATOM 1571 C THR 192 19.694 30.592 16.322 1.00
39.98
ATOM 1572 O THR 192 18.600 31.177 16.351 1.00
41.71
ATOM 1573 CB THR 192 20.557 29.532 18.474 1.00
35.81
ATOM 1574 OG1 THR 192 21.942 29.877 18.304 1.00
38.10
ATOM 1575 CG2 THR 192 20.445 28.256 19.302 1.00
33.36
ATOM 1576 N LYS 193 20.718 30.998 15.564 1.00
35.42
ATOM 1577 CA LYS 193 20.598 32.178 14.715 1.00
38.56
ATOM 1578 C LYS 193 19.556 31.871 13.639 1.00
44.29
ATOM 1579 O LYS 193 18.669 32.682 13.358 1.00
45.57
ATOM 1580 CB LYS 193 21.932 32.530 14.076 1.00
35.42
ATOM 1581 CG LYS 193 22.807 33.422 14.941 1.00
48.32
ATOM 1582 CD LYS 193 22.394 34.906 14.850 1.00
56.04
ATOM 1583 CE LYS 193 23.270 35.776 15.755 1.00
60.56
ATOM 1584 NZ LYS 193 22.863 37.205 15.751 1.00
65.17
ATOM 1585 N LEU 194 19.644 30.667 13.075 1.00
46.55
ATOM 1586 CA LEU 194 18.690 30.228 12.069 1.00
39.38
ATOM 1587 C LEU 194 17.272 30.273 12.642 1.00
40.85
ATOM 1588 O LEU 194 16.353 30.720 11.954 1.00
45.44
ATOM 1589 CB LEU 194 19.009 28.808 11.607 1.00
41.98
ATOM 1590 CG LEU 194 17.987 28.298 10.587 1.00
49.48
ATOM 1591 CD1 LEU 194 18.036 29.176 9.346 1.00
46.04
ATOM 1592 CD2 LEU 194 18.245 26.832 10.228 1.00
47.86
ATOM 1593 N LEU 195 17.108 29.839 13.900 1.00
38.85
ATOM 1594 CA LEU 195 15.807 29.824 14.575 1.00
37.02
ATOM 1595 C LEU 195 15.265 31.223 14.689 1.00
35.94
ATOM 1596 O LEU 195 14.075 31.459 14.455 1.00
36.06
ATOM 1597 CB LEU 195 15.915 29.232 15.980 1.00
43.64
ATOM 1598 CG LEU 195 15.888 27.707 16.086 1.00
42.37
ATOM 1599 CD1 LEU 195 15.854 27.238 17.548 1.00
35.50
ATOM 1600 CD2 LEU 195 14.671 27.219 15.334 1.00
35.55
ATOM 1601 N ASP 196 16.161 32.142 15.041 1.00
35.57
ATOM 1602 CA ASP 196 15.845 33.564 15.196 1.00
37.53
ATOM 1603 C ASP 196 15.341 34.254 13.898 1.00
38.46
ATOM 1604 O ASP 196 14.455 35.123 13.959 1.00
36.51
ATOM 1605 CB ASP 196 17.051 34.299 15.824 1.00
29.27
ATOM 1606 CG ASP 196 17.214 34.005 17.334 1.00
39.10
ATOM 1607 OD1 ASP 196 16.388 33.270 17.927 1.00
42.54
ATOM 1608 OD2 ASP 196 18.174 34.526 17.947 1.00
37.49
ATOM 1609 N SER 197 15.843 33.796 12.740 1.00
40.46
ATOM 1610 CA SER 197 15.476 34.302 11.393 1.00
35.87
ATOM 1611 C SER 197 14.004 34.116 11.058 1.00
37.22
ATOM 1612 O SER 197 13.454 34.844 10.231 1.00
46.57
ATOM 1613 CB SER 197 16.235 33.551 10.284 1.00
34.07
ATOM 1614 OG SER 197 17.577 33.266 10.622 1.00
46.76
ATOM 1615 N VAL 198 13.398 33.095 11.650 1.00
35.77
ATOM 1616 CA VAL 198 12.013 32.752 11.399 1.00
35.13
ATOM 1617 C VAL 198 11.031 33.779 11.950 1.00
38.58
ATOM 1618 O VAL 198 9.973 34.057 11.353 1.00
36.20
ATOM 1619 CB VAL 198 11.686 31.354 12.004 1.00
27.91
ATOM 1620 CG1 VAL 198 10.252 30.944 11.666 1.00
22.22
ATOM 1621 CG2 VAL 198 12.666 30.322 11.482 1.00
33.78
ATOM 1622 N GLN 199 11.395 34.366 13.081 1.00
39.58
ATOM 1623 CA GLN 199 10.525 35.342 13.735 1.00
43.96
ATOM 1624 C GLN 199 10.213 36.633 12.921 1.00
38.67
ATOM 1625 O GLN 199 9.030 37.022 12.789 1.00
34.00
ATOM 1626 CB GLN 199 11.039 35.603 15.163 1.00
47.82
ATOM 1627 CG GLN 199 11.248 34.307 15.987 1.00
37.53
ATOM 1628 CD GLN 199 9.951 33.535 16.271 1.00
40.95
ATOM 1629 OE1 GLN 199 8.841 33.972 15.943 1.00
40.47
ATOM 1630 NE2 GLN 199 10.097 32.375 16.883 1.00
44.07
ATOM 1631 N PRO 200 11.254 37.306 12.370 1.00
32.90
ATOM 1632 CA PRO 200 11.071 38.522 11.569 1.00
32.84
ATOM 1633 C PRO 200 10.156 38.173 10.407 1.00
35.58
ATOM 1634 O PRO 200 9.132 38.815 10.173 1.00
34.36
ATOM 1635 CB PRO 200 12.477 38.796 11.052 1.00
34.85
ATOM 1636 CG PRO 200 13.329 38.358 12.184 1.00
35.76
ATOM 1637 CD PRO 200 12.690 37.069 12.631 1.00
35.45
ATOM 1638 N ILE 201 10.494 37.075 9.740 1.00
35.25
ATOM 1639 CA ILE 201 9.730 36.578 8.616 1.00
31.95
ATOM 1640 C ILE 201 8.284 36.304 9.002 1.00
28.05
ATOM 1641 O ILE 201 7.359 36.758 8.332 1.00
33.69
ATOM 1642 CB ILE 201 10.389 35.318 8.072 1.00
34.50
ATOM 1643 CG1 ILE 201 11.841 35.639 7.697 1.00
31.97
ATOM 1644 CG2 ILE 201 9.630 34.813 6.870 1.00
25.52
ATOM 1645 CD1 ILE 201 12.604 34.477 7.120 1.00
36.91
ATOM 1646 N ALA 202 8.089 35.599 10.109 1.00
29.58
ATOM 1647 CA ALA 202 6.750 35.276 10.593 1.00
30.48
ATOM 1648 C ALA 202 6.010 36.567 10.913 1.00
34.81
ATOM 1649 O ALA 202 4.793 36.692 10.672 1.00
31.33
ATOM 1650 CB ALA 202 6.838 34.402 11.825 1.00
27.17
ATOM 1651 N ARG 203 6.754 37.534 11.441 1.00
35.08
ATOM 1652 CA ARG 203 6.201 38.845 11.766 1.00
38.73
ATOM 1653 C ARG 203 5.587 39.457 10.509 1.00
36.69
ATOM 1654 O ARG 203 4.411 39.824 10.496 1.00
33.58
ATOM 1655 CB ARG 203 7.303 39.754 12.271 1.00
42.63
ATOM 1656 CG ARG 203 6.935 41.209 12.267 1.00
48.87
ATOM 1657 CD ARG 203 6.488 41.628 13.610 1.00
39.03
ATOM 1658 NE ARG 203 5.783 42.900 13.554 1.00
54.34
ATOM 1659 CZ ARG 203 5.420 43.599 14.629 1.00
58.85
ATOM 1660 NH1 ARG 203 5.717 43.140 15.841 1.00
58.33
ATOM 1661 NH2 ARG 203 4.700 44.713 14.497 1.00
67.98
ATOM 1662 N GLU 204 6.388 39.518 9.447 1.00
33.87
ATOM 1663 CA GLU 204 5.954 40.047 8.149 1.00
36.69
ATOM 1664 C GLU 204 4.721 39.346 7.610 1.00
35.07
ATOM 1665 O GLU 204 3.835 39.982 7.039 1.00
38.97
ATOM 1666 CB GLU 204 7.074 39.920 7.099 1.00
48.05
ATOM 1667 CG GLU 204 7.897 41.206 6.847 1.00
57.85
ATOM 1668 CD GLU 204 8.928 41.037 5.731 1.00
68.10
ATOM 1669 OE1 GLU 204 9.952 40.366 5.990 1.00
74.25
ATOM 1670 OE2 GLU 204 8.722 41.566 4.606 1.00
66.63
ATOM 1671 N LEU 205 4.671 38.027 7.747 1.00
37.62
ATOM 1672 CA LEU 205 3.528 37.281 7.244 1.00
35.57
ATOM 1673 C LEU 205 2.295 37.630 8.027 1.00
36.96
ATOM 1674 O LEU 205 1.187 37.664 7.475 1.00
37.28
ATOM 1675 CB LEU 205 3.794 35.790 7.331 1.00
46.12
ATOM 1676 CG LEU 205 5.003 35.377 6.498 1.00
44.82
ATOM 1677 CD1 LEU 205 5.185 33.921 6.706 1.00
46.86
ATOM 1678 CD2 LEU 205 4.807 35.680 5.024 1.00
41.83
ATOM 1679 N HIS 206 2.505 37.887 9.320 1.00
32.90
ATOM 1680 CA HIS 206 1.430 38.269 10.242 1.00
37.34
ATOM 1681 C HIS 206 0.775 39.603 9.828 1.00
38.25
ATOM 1682 O HIS 206 -0.457 39.758 9.814 1.00
36.81
ATOM 1683 CB HIS 206 1.997 38.405 11.660 1.00
42.16
ATOM 1684 CG HIS 206 2.251 37.099 12.352 1.00
46.12
ATOM 1685 ND1 HIS 206 1.296 36.104 12.440 1.00
42.36
ATOM 1686 CD2 HIS 206 3.339 36.643 13.015 1.00
41.95
ATOM 1687 CE1 HIS 206 1.790 35.088 13.130 1.00
41.59
ATOM 1688 NE2 HIS 206 3.028 35.390 13.486 1.00
44.61
ATOM 1689 N GLN 207 1.628 40.572 9.520 1.00
38.39
ATOM 1690 CA GLN 207 1.217 41.906 9.090 1.00
36.36
ATOM 1691 C GLN 207 0.363 41.731 7.845 1.00
34.57
ATOM 1692 O GLN 207 -0.822 42.017 7.846 1.00
42.38
ATOM 1693 CB GLN 207 2.471 42.727 8.765 1.00
38.26
ATOM 1694 CG GLN 207 2.247 44.182 8.555 1.00
44.03
ATOM 1695 CD GLN 207 1.775 44.875 9.800 1.00
47.03
ATOM 1696 OE1 GLN 207 2.554 45.079 10.754 1.00
42.92
ATOM 1697 NE2 GLN 207 0.504 45.272 9.799 1.00
34.68
ATOM 1698 N PHE 208 0.943 41.081 6.849 1.00
33.26
ATOM 1699 CA PHE 208 0.284 40.845 5.582 1.00
33.07
ATOM 1700 C PHE 208 -1.070 40.161 5.677 1.00
35.06
ATOM 1701 O PHE 208 -2.036 40.573 5.032 1.00
34.48
ATOM 1702 CB PHE 208 1.212 40.017 4.692 1.00
39.86
ATOM 1703 CG PHE 208 0.676 39.782 3.313 1.00
39.61
ATOM 1704 CD1 PHE 208 -0.320 38.846 3.085 1.00
41.67
ATOM 1705 CD2 PHE 208 1.163 40.507 2.248 1.00
39.57
ATOM 1706 CE1 PHE 208 -0.823 38.650 1.838 1.00
44.63
ATOM 1707 CE2 PHE 208 0.665 40.318 0.991 1.00
40.20
ATOM 1708 CZ PHE 208 -0.329 39.385 0.780 1.00
49.53
ATOM 1709 N THR 209 -1.126 39.053 6.405 1.00
40.28
ATOM 1710 CA THR 209 -2.380 38.320 6.505 1.00
38.84
ATOM 1711 C THR 209 -3.450 39.157 7.208 1.00
41.69
ATOM 1712 O THR 209 -4.594 39.193 6.767 1.00
41.63
ATOM 1713 CB THR 209 -2.193 36.900 7.135 1.00
33.79
ATOM 1714 OG1 THR 209 -3.364 36.117 6.886 1.00
38.07
ATOM 1715 CG2 THR 209 -1.937 36.956 8.640 1.00
26.06
ATOM 1716 N PHE 210 -3.062 39.889 8.251 1.00
39.96
ATOM 1717 CA PHE 210 -3.997 40.737 8.984 1.00
38.02
ATOM 1718 C PHE 210 -4.600 41.760 8.006 1.00
38.85
ATOM 1719 O PHE 210 -5.821 41.922 7.916 1.00
33.84
ATOM 1720 CB PHE 210 -3.248 41.450 10.109 1.00
41.25
ATOM 1721 CG PHE 210 -4.035 42.540 10.764 1.00
45.72
ATOM 1722 CD1 PHE 210 -5.318 42.298 11.237 1.00
47.19
ATOM 1723 CD2 PHE 210 -3.490 43.810 10.910 1.00
47.82
ATOM 1724 CE1 PHE 210 -6.045 43.296 11.842 1.00
52.43
ATOM 1725 CE2 PHE 210 -4.208 44.813 11.515 1.00
44.62
ATOM 1726 CZ PHE 210 -5.488 44.563 11.983 1.00
50.04
ATOM 1727 N ASP 211 -3.717 42.398 7.243 1.00
41.64
ATOM 1728 CA ASP 211 -4.078 43.395 6.242 1.00
44.39
ATOM 1729 C ASP 211 -4.975 42.733 5.201 1.00
41.74
ATOM 1730 O ASP 211 -6.013 43.272 4.797 1.00
45.58
ATOM 1731 CB ASP 211 -2.799 43.987 5.597 1.00
50.23
ATOM 1732 CG ASP 211 -1.938 44.849 6.595 1.00
65.18
ATOM 1733 OD1 ASP 211 -2.253 44.919 7.821 1.00
64.91
ATOM 1734 OD2 ASP 211 -0.930 45.461 6.140 1.00
57.87
ATOM 1735 N LEU 212 -4.581 41.542 4.784 1.00
39.59
ATOM 1736 CA LEU 212 -5.349 40.778 3.824 1.00
41.16
ATOM 1737 C LEU 212 -6.737 40.477 4.404 1.00
41.39
ATOM 1738 O LEU 212 -7.720 40.472 3.682 1.00
46.61
ATOM 1739 CB LEU 212 -4.594 39.483 3.484 1.00
41.26
ATOM 1740 CG LEU 212 -5.117 38.492 2.429 1.00
46.22
ATOM 1741 CD1 LEU 212 -5.910 39.174 1.299 1.00
39.53
ATOM 1742 CD2 LEU 212 -3.925 37.702 1.873 1.00
45.58
ATOM 1743 N LEU 213 -6.826 40.273 5.713 1.00
46.94
ATOM 1744 CA LEU 213 -8.113 39.974 6.330 1.00
46.60
ATOM 1745 C LEU 213 -9.028 41.185 6.310 1.00
50.61
ATOM 1746 O LEU 213 -10.188 41.070 5.925 1.00
50.82
ATOM 1747 CB LEU 213 -7.964 39.468 7.775 1.00
38.43
ATOM 1748 CG LEU 213 -9.282 39.274 8.551 1.00
37.70
ATOM 1749 CD1 LEU 213 -10.162 38.204 7.887 1.00
30.98
ATOM 1750 CD2 LEU 213 -8.979 38.918 9.997 1.00
30.24
ATOM 1751 N ILE 214 -8.531 42.341 6.746 1.00
48.70
ATOM 1752 CA ILE 214 -9.390 43.517 6.752 1.00
55.61
ATOM 1753 C ILE 214 -9.806 43.885 5.314 1.00
53.19
ATOM 1754 O ILE 214 -10.966 44.227 5.076 1.00
56.55
ATOM 1755 CB ILE 214 -8.797 44.720 7.603 1.00
54.73
ATOM 1756 CG1 ILE 214 -7.489 45.252 7.008 1.00
58.00
ATOM 1757 CG2 ILE 214 -8.566 44.271 9.054 1.00
42.17
ATOM 1758 CD1 ILE 214 -6.825 46.382 7.811 1.00
61.98
ATOM 1759 N LYS 215 -8.917 43.674 4.343 1.00
51.98
ATOM 1760 CA LYS 215 -9.229 43.976 2.939 1.00
53.80
ATOM 1761 C LYS 215 -10.126 42.935 2.296 1.00
56.69
ATOM 1762 O LYS 215 -10.888 43.257 1.389 1.00
56.03
ATOM 1763 CB LYS 215 -7.976 44.008 2.073 1.00
49.48
ATOM 1764 CG LYS 215 -7.056 45.152 2.279 1.00
51.98
ATOM 1765 CD LYS 215 -5.970 45.061 1.236 1.00
57.39
ATOM 1766 CE LYS 215 -4.752 45.885 1.601 1.00
65.28
ATOM 1767 NZ LYS 215 -3.755 45.773 0.507 1.00
72.32
ATOM 1768 N SER 216 -10.000 41.687 2.758 1.00
64.45
ATOM 1769 CA SER 216 -10.721 40.515 2.228 1.00
60.51
ATOM 1770 C SER 216 -12.055 40.765 1.543 1.00
57.37
ATOM 1771 O SER 216 -12.167 40.549 0.334 1.00
55.96
ATOM 1772 CB SER 216 -10.873 39.434 3.304 1.00
60.86
ATOM 1773 OG SER 216 -11.559 39.933 4.437 1.00
69.00
ATOM 1774 N HIS 217 -13.029 41.258 2.308 1.00
59.05
ATOM 1775 CA HIS 217 -14.376 41.558 1.826 1.00
68.14
ATOM 1776 C HIS 217 -14.388 42.167 0.424 1.00
74.11
ATOM 1777 O HIS 217 -14.901 41.561 -0.515 1.00
78.87
ATOM 1778 CB HIS 217 -15.091 42.532 2.781 1.00
74.25
ATOM 1779 CG HIS 217 -14.848 42.258 4.241 1.00
79.02
ATOM 1780 ND1 HIS 217 -13.766 42.770 4.919 1.00
75.36
ATOM 1781 CD2 HIS 217 -15.545 41.521 5.135 1.00
74.74
ATOM 1782 CE1 HIS 217 -13.802 42.360 6.178 1.00
69.84
ATOM 1783 NE2 HIS 217 -14.871 41.599 6.335 1.00
76.42
ATOM 1784 N MET 218 -13.813 43.358 0.284 1.00
77.20
ATOM 1785 CA MET 218 -13.780 44.065 -1.003 1.00
75.99
ATOM 1786 C MET 218 -12.804 43.540 -2.083 1.00
66.55
ATOM 1787 O MET 218 -12.844 44.000 -3.225 1.00
63.97
ATOM 1788 CB MET 218 -13.570 45.582 -0.755 1.00
87.39
ATOM 1789 CG MET 218 -12.135 46.127 -0.979 1.00
94.48
ATOM 1790 SD MET 218 -11.788 47.728 -0.157 1.00
94.87
ATOM 1791 CE MET 218 -10.212 48.246 -1.001 1.00
94.14
ATOM 1792 N VAL 219 -11.942 42.584 -1.738 1.00
60.32
ATOM 1793 CA VAL 219 -10.968 42.057 -2.702 1.00
54.75
ATOM 1794 C VAL 219 -11.146 40.564 -3.026 1.00
56.80
ATOM 1795 O VAL 219 -10.263 39.931 -3.624 1.00
52.84
ATOM 1796 CB VAL 219 -9.525 42.334 -2.213 1.00
48.73
ATOM 1797 CG1 VAL 219 -9.081 41.277 -1.221 1.00
55.82
ATOM 1798 CG2 VAL 219 -8.578 42.459 -3.377 1.00
42.79
ATOM 1799 N SER 220 -12.293 40.033 -2.599 1.00
60.63
ATOM 1800 CA SER 220 -12.752 38.643 -2.786 1.00
60.83
ATOM 1801 C SER 220 -11.912 37.401 -2.406 1.00
65.27
ATOM 1802 O SER 220 -12.196 36.292 -2.885 1.00
62.05
ATOM 1803 CB SER 220 -13.368 38.463 -4.169 1.00
51.52
ATOM 1804 OG SER 220 -12.417 38.680 -5.181 1.00
58.27
ATOM 1805 N VAL 221 -10.918 37.579 -1.529 1.00
70.51
ATOM 1806 CA VAL 221 -10.079 36.475 -1.036 1.00
69.77
ATOM 1807 C VAL 221 -10.894 35.856 0.115 1.00
71.90
ATOM 1808 O VAL 221 -11.475 36.609 0.910 1.00
70.16
ATOM 1809 CB VAL 221 -8.740 37.003 -0.461 1.00
68.58
ATOM 1810 CG1 VAL 221 -7.880 35.843 -0.016 1.00
73.27
ATOM 1811 CG2 VAL 221 -8.006 37.859 -1.489 1.00
65.97
ATOM 1812 N ASP 222 -10.969 34.520 0.203 1.00
74.76
ATOM 1813 CA ASP 222 -11.758 33.870 1.271 1.00
72.71
ATOM 1814 C ASP 222 -10.920 33.314 2.457 1.00
69.55
ATOM 1815 O ASP 222 -9.783 32.831 2.270 1.00
70.86
ATOM 1816 CB ASP 222 -12.783 32.857 0.666 1.00
72.91
ATOM 1817 CG ASP 222 -12.332 31.385 0.735 1.00
80.84
ATOM 1818 OD1 ASP 222 -11.326 30.981 0.093 1.00
76.21
ATOM 1819 OD2 ASP 222 -13.045 30.618 1.413 1.00
78.59
ATOM 1820 N PHE 223 -11.431 33.508 3.680 1.00
59.70
ATOM 1821 CA PHE 223 -10.746 33.068 4.902 1.00
52.91
ATOM 1822 C PHE 223 -11.598 32.045 5.665 1.00
49.30
ATOM 1823 O PHE 223 -12.740 32.326 6.012 1.00
50.65
ATOM 1824 CB PHE 223 -10.474 34.274 5.848 1.00
55.80
ATOM 1825 CG PHE 223 -9.223 35.088 5.518 1.00
47.41
ATOM 1826 CD1 PHE 223 -9.250 36.101 4.554 1.00
40.14
ATOM 1827 CD2 PHE 223 -8.027 34.837 6.171 1.00
45.78
ATOM 1828 CE1 PHE 223 -8.107 36.842 4.246 1.00
34.67
ATOM 1829 CE2 PHE 223 -6.876 35.585 5.862 1.00
46.05
ATOM 1830 CZ PHE 223 -6.922 36.582 4.900 1.00
37.02
ATOM 1831 N PRO 224 -11.052 30.845 5.926 1.00
44.99
ATOM 1832 CA PRO 224 -11.782 29.806 6.660 1.00
39.76
ATOM 1833 C PRO 224 -11.976 30.370 8.058 1.00
44.96
ATOM 1834 O PRO 224 -11.052 30.952 8.621 1.00
46.87
ATOM 1835 CB PRO 224 -10.792 28.648 6.669 1.00
45.27
ATOM 1836 CG PRO 224 -9.970 28.878 5.420 1.00
46.05
ATOM 1837 CD PRO 224 -9.737 30.353 5.480 1.00
46.20
ATOM 1838 N GLU 225 -13.176 30.234 8.604 1.00
51.64
ATOM 1839 CA GLU 225 -13.508 30.792 9.914 1.00
51.25
ATOM 1840 C GLU 225 -12.577 30.549 11.077 1.00
52.74
ATOM 1841 O GLU 225 -12.321 31.462 11.858 1.00
58.39
ATOM 1842 CB GLU 225 -14.937 30.437 10.304 1.00
59.05
ATOM 1843 CG GLU 225 -15.987 31.401 9.724 1.00
75.65
ATOM 1844 CD GLU 225 -15.800 31.699 8.224 1.00
82.95
ATOM 1845 OE1 GLU 225 -15.706 30.745 7.418 1.00
84.06
ATOM 1846 OE2 GLU 225 -15.762 32.891 7.845 1.00
86.37
ATOM 1847 N MET 226 -12.043 29.348 11.205 1.00
52.94
ATOM 1848 CA MET 226 -11.152 29.075 12.329 1.00
57.23
ATOM 1849 C MET 226 -9.942 29.975 12.239 1.00
57.71
ATOM 1850 O MET 226 -9.458 30.518 13.230 1.00
60.99
ATOM 1851 CB MET 226 -10.720 27.607 12.332 1.00
59.88
ATOM 1852 CG MET 226 -9.861 27.205 13.522 1.00
68.32
ATOM 1853 SD MET 226 -9.861 25.428 13.821 1.00
73.67
ATOM 1854 CE MET 226 -9.322 24.840 12.166 1.00
72.54
ATOM 1855 N MET 227 -9.466 30.130 11.021 1.00
61.08
ATOM 1856 CA MET 227 -8.311 30.948 10.744 1.00
58.05
ATOM 1857 C MET 227 -8.679 32.431 10.789 1.00
56.79
ATOM 1858 O MET 227 -7.979 33.226 11.422 1.00
56.34
ATOM 1859 CB MET 227 -7.751 30.527 9.396 1.00
57.93
ATOM 1860 CG MET 227 -6.936 31.548 8.720 1.00
67.27
ATOM 1861 SD MET 227 -6.668 30.991 7.072 1.00
79.81
ATOM 1862 CE MET 227 -4.870 31.161 6.982 1.00
78.99
ATOM 1863 N ALA 228 -9.786 32.802 10.152 1.00
49.66
ATOM 1864 CA ALA 228 -10.219 34.186 10.170 1.00
46.91
ATOM 1865 C ALA 228 -10.211 34.621 11.627 1.00
50.19
ATOM 1866 O ALA 228 -9.655 35.672 11.971 1.00
55.53
ATOM 1867 CB ALA 228 -11.616 34.311 9.591 1.00
45.04
ATOM 1868 N GLU 229 -10.737 33.759 12.496 1.00
52.29
ATOM 1869 CA GLU 229 -10.805 34.053 13.928 1.00
52.77
ATOM 1870 C GLU 229 -9.442 34.244 14.591 1.00
48.32
ATOM 1871 O GLU 229 -9.253 35.144 15.402 1.00
49.52
ATOM 1872 CB GLU 229 -11.612 32.990 14.664 1.00
54.94
ATOM 1873 CG GLU 229 -11.927 33.355 16.111 1.00
65.44
ATOM 1874 CD GLU 229 -13.217 32.725 16.600 1.00
75.27
ATOM 1875 OE1 GLU 229 -14.284 33.102 16.074 1.00
78.93
ATOM 1876 OE2 GLU 229 -13.167 31.868 17.511 1.00
79.28
ATOM 1877 N ILE 230 -8.477 33.417 14.241 1.00
45.91
ATOM 1878 CA ILE 230 -7.160 33.561 14.836 1.00
43.63
ATOM 1879 C ILE 230 -6.510 34.843 14.323 1.00
41.42
ATOM 1880 O ILE 230 -5.891 35.578 15.087 1.00
41.91
ATOM 1881 CB ILE 230 -6.275 32.288 14.567 1.00
45.82
ATOM 1882 CG1 ILE 230 -6.797 31.125 15.430 1.00
48.14
ATOM 1883 CG2 ILE 230 -4.776 32.537 14.847 1.00
34.18
ATOM 1884 CD1 ILE 230 -5.911 29.894 15.425 1.00
60.11
ATOM 1885 N ILE 231 -6.734 35.177 13.064 1.00
37.89
ATOM 1886 CA ILE 231 -6.105 36.372 12.526 1.00
40.46
ATOM 1887 C ILE 231 -6.640 37.624 13.202 1.00
39.91
ATOM 1888 O ILE 231 -5.880 38.533 13.524 1.00
36.62
ATOM 1889 CB ILE 231 -6.290 36.486 10.986 1.00
46.34
ATOM 1890 CG1 ILE 231 -5.722 35.250 10.280 1.00
51.08
ATOM 1891 CG2 ILE 231 -5.612 37.759 10.448 1.00
45.77
ATOM 1892 CD1 ILE 231 -4.239 34.978 10.550 1.00
53.92
ATOM 1893 N SER 232 -7.927 37.612 13.520 1.00
39.54
ATOM 1894 CA SER 232 -8.576 38.764 14.129 1.00
39.63
ATOM 1895 C SER 232 -8.474 38.925 15.652 1.00
41.36
ATOM 1896 O SER 232 -8.821 39.970 16.188 1.00
46.90
ATOM 1897 CB SER 232 -10.048 38.823 13.670 1.00
37.01
ATOM 1898 OG SER 232 -10.963 38.377 14.652 1.00
40.29
ATOM 1899 N VAL 233 -7.942 37.938 16.350 1.00
34.58
ATOM 1900 CA VAL 233 -7.889 38.027 17.799 1.00
32.25
ATOM 1901 C VAL 233 -6.516 37.812 18.388 1.00
33.93
ATOM 1902 O VAL 233 -6.116 38.496 19.325 1.00
37.49
ATOM 1903 CB VAL 233 -8.844 36.967 18.443 1.00
40.69
ATOM 1904 CG1 VAL 233 -8.793 37.045 19.976 1.00
37.09
ATOM 1905 CG2 VAL 233 -10.273 37.146 17.930 1.00
37.39
ATOM 1906 N GLN 234 -5.813 36.820 17.865 1.00
38.32
ATOM 1907 CA GLN 234 -4.504 36.475 18.376 1.00
36.30
ATOM 1908 C GLN 234 -3.432 37.222 17.639 1.00
39.26
ATOM 1909 O GLN 234 -2.419 37.566 18.234 1.00
41.22
ATOM 1910 CB GLN 234 -4.247 34.958 18.276 1.00
36.78
ATOM 1911 CG GLN 234 -5.309 34.053 18.926 1.00
41.09
ATOM 1912 CD GLN 234 -5.529 34.320 20.418 1.00
47.88
ATOM 1913 OE1 GLN 234 -6.664 34.277 20.899 1.00
56.15
ATOM 1914 NE2 GLN 234 -4.447 34.587 21.155 1.00
43.52
ATOM 1915 N VAL 235 -3.621 37.449 16.340 1.00
40.86
ATOM 1916 CA VAL 235 -2.611 38.167 15.569 1.00
38.57
ATOM 1917 C VAL 235 -2.431 39.624 16.026 1.00
37.36
ATOM 1918 O VAL 235 -1.294 40.077 16.171 1.00
39.48
ATOM 1919 CB VAL 235 -2.841 38.035 14.028 1.00
42.29
ATOM 1920 CG1 VAL 235 -1.947 38.994 13.270 1.00
39.28
ATOM 1921 CG2 VAL 235 -2.503 36.622 13.574 1.00
39.72
ATOM 1922 N PRO 236 -3.534 40.366 16.292 1.00
30.75
ATOM 1923 CA PRO 236 -3.373 41.753 16.738 1.00
32.91
ATOM 1924 C PRO 236 -2.436 41.878 17.945 1.00
36.72
ATOM 1925 O PRO 236 -1.624 42.801 18.019 1.00
40.29
ATOM 1926 CB PRO 236 -4.797 42.161 17.092 1.00
29.43
ATOM 1927 CG PRO 236 -5.571 41.493 16.035 1.00
30.40
ATOM 1928 CD PRO 236 -4.962 40.088 16.042 1.00
34.37
ATOM 1929 N LYS 237 -2.489 40.909 18.851 1.00
36.01
ATOM 1930 CA LYS 237 -1.632 40.937 20.031 1.00
32.07
ATOM 1931 C LYS 237 -0.149 40.868 19.677 1.00
30.44
ATOM 1932 O LYS 237 0.688 41.365 20.422 1.00
33.55
ATOM 1933 CB LYS 237 -1.995 39.807 21.022 1.00
34.01
ATOM 1934 CG LYS 237 -3.485 39.698 21.377 1.00
37.81
ATOM 1935 CD LYS 237 -3.751 38.653 22.476 1.00
51.29
ATOM 1936 CE LYS 237 -5.233 38.624 22.886 1.00
51.15
ATOM 1937 NZ LYS 237 -5.552 37.658 23.987 1.00
63.78
ATOM 1938 N ILE 238 0.185 40.258 18.545 1.00
38.99
ATOM 1939 CA ILE 238 1.588 40.103 18.142 1.00
43.43
ATOM 1940 C ILE 238 2.076 41.353 17.449 1.00
46.59
ATOM 1941 O ILE 238 3.203 41.817 17.688 1.00
46.25
ATOM 1942 CB ILE 238 1.818 38.828 17.217 1.00
41.03
ATOM 1943 CG1 ILE 238 1.453 37.545 17.993 1.00
41.68
ATOM 1944 CG2 ILE 238 3.289 38.764 16.745 1.00
35.00
ATOM 1945 CD1 ILE 238 1.386 36.270 17.189 1.00
36.91
ATOM 1946 N LEU 239 1.217 41.891 16.587 1.00
50.54
ATOM 1947 CA LEU 239 1.516 43.111 15.831 1.00
47.53
ATOM 1948 C LEU 239 1.639 44.317 16.784 1.00
42.06
ATOM 1949 O LEU 239 2.496 45.199 16.590 1.00
41.92
ATOM 1950 CB LEU 239 0.437 43.324 14.751 1.00
43.43
ATOM 1951 CG LEU 239 0.323 42.131 13.782 1.00
31.27
ATOM 1952 CD1 LEU 239 -0.857 42.290 12.901 1.00
29.15
ATOM 1953 CD2 LEU 239 1.580 41.967 12.953 1.00
29.66
ATOM 1954 N SER 240 0.851 44.282 17.858 1.00
36.02
ATOM 1955 CA SER 240 0.871 45.328 18.852 1.00
41.77
ATOM 1956 C SER 240 1.943 45.131 19.931 1.00
45.83
ATOM 1957 O SER 240 2.115 45.985 20.788 1.00
57.61
ATOM 1958 CB SER 240 -0.519 45.531 19.479 1.00
44.15
ATOM 1959 OG SER 240 -0.913 44.474 20.334 1.00
47.22
ATOM 1960 N GLY 241 2.684 44.030 19.886 1.00
40.63
ATOM 1961 CA GLY 241 3.726 43.813 20.877 1.00
31.68
ATOM 1962 C GLY 241 3.324 43.227 22.233 1.00
37.71
ATOM 1963 O GLY 241 4.173 43.163 23.129 1.00
42.65
ATOM 1964 N LYS 242 2.071 42.791 22.401 1.00
33.50
ATOM 1965 CA LYS 242 1.619 42.182 23.673 1.00
42.03
ATOM 1966 C LYS 242 2.064 40.702 23.839 1.00
41.10
ATOM 1967 O LYS 242 2.036 40.137 24.932 1.00
39.99
ATOM 1968 CB LYS 242 0.100 42.320 23.805 1.00
41.10
ATOM 1969 CG LYS 242 -0.357 43.751 23.582 1.00
45.52
ATOM 1970 CD LYS 242 -1.830 43.904 23.726 1.00
40.97
ATOM 1971 CE LYS 242 -2.190 43.976 25.163 1.00
42.32
ATOM 1972 NZ LYS 242 -3.651 43.819 25.260 1.00
53.43
ATOM 1973 N VAL 243 2.497 40.114 22.728 1.00
42.05
ATOM 1974 CA VAL 243 2.992 38.746 22.624 1.00
35.21
ATOM 1975 C VAL 243 4.267 38.912 21.806 1.00
36.16
ATOM 1976 O VAL 243 4.224 39.387 20.671 1.00
37.87
ATOM 1977 CB VAL 243 2.025 37.872 21.822 1.00
29.65
ATOM 1978 CG1 VAL 243 2.661 36.551 21.476 1.00
33.30
ATOM 1979 CG2 VAL 243 0.736 37.674 22.588 1.00
35.10
ATOM 1980 N LYS 244 5.396 38.504 22.358 1.00
35.80
ATOM 1981 CA LYS 244 6.638 38.677 21.653 1.00
36.47
ATOM 1982 C LYS 244 7.451 37.409 21.556 1.00
40.23
ATOM 1983 O LYS 244 7.293 36.472 22.334 1.00
39.68
ATOM 1984 CB LYS 244 7.483 39.752 22.347 1.00
37.13
ATOM 1985 CG LYS 244 7.952 39.353 23.729 1.00
38.33
ATOM 1986 CD LYS 244 8.846 40.405 24.332 1.00
39.07
ATOM 1987 CE LYS 244 9.124 40.089 25.784 1.00
39.77
ATOM 1988 NZ LYS 244 9.862 41.200 26.423 1.00
40.28
ATOM 1989 N PRO 245 8.266 37.333 20.517 1.00
39.61
ATOM 1990 CA PRO 245 9.146 36.208 20.249 1.00
40.14
ATOM 1991 C PRO 245 10.247 36.181 21.301 1.00
36.50
ATOM 1992 O PRO 245 10.565 37.200 21.893 1.00
38.67
ATOM 1993 CB PRO 245 9.711 36.564 18.875 1.00
41.93
ATOM 1994 CG PRO 245 8.534 37.200 18.210 1.00
44.72
ATOM 1995 CD PRO 245 8.060 38.134 19.296 1.00
42.22
ATOM 1996 N ILE 246 10.813 35.008 21.538 1.00
34.68
ATOM 1997 CA ILE 246 11.883 34.848 22.497 1.00
36.82
ATOM 1998 C ILE 246 13.085 34.508 21.654 1.00
40.11
ATOM 1999 O ILE 246 13.129 33.460 21.029 1.00
43.44
ATOM 2000 CB ILE 246 11.625 33.663 23.434 1.00
38.93
ATOM 2001 CG1 ILE 246 10.311 33.834 24.173 1.00
32.49
ATOM 2002 CG2 ILE 246 12.743 33.540 24.435 1.00
46.36
ATOM 2003 CD1 ILE 246 9.917 32.567 24.899 1.00
39.70
ATOM 2004 N TYR 247 14.047 35.409 21.603 1.00
45.62
ATOM 2005 CA TYR 247 15.235 35.191 20.798 1.00
45.53
ATOM 2006 C TYR 247 16.352 34.582 21.608 1.00
47.03
ATOM 2007 O TYR 247 16.359 34.665 22.833 1.00
51.25
ATOM 2008 CB TYR 247 15.717 36.510 20.165 1.00
38.58
ATOM 2009 CG TYR 247 14.778 37.052 19.122 1.00
36.78
ATOM 2010 CD1 TYR 247 13.600 37.695 19.484 1.00
38.75
ATOM 2011 CD2 TYR 247 15.042 36.875 17.767 1.00
47.40
ATOM 2012 CE1 TYR 247 12.696 38.141 18.527 1.00
49.22
ATOM 2013 CE2 TYR 247 14.142 37.317 16.786 1.00
52.13
ATOM 2014 CZ TYR 247 12.969 37.952 17.175 1.00
56.55
ATOM 2015 OH TYR 247 12.067 38.377 16.212 1.00
55.66
ATOM 2016 N PHE 248 17.298 33.964 20.915 1.00
46.26
ATOM 2017 CA PHE 248 18.439 33.376 21.580 1.00
44.65
ATOM 2018 C PHE 248 19.487 34.457 21.707 1.00
44.05
ATOM 2019 O PHE 248 20.132 34.568 22.738 1.00
47.61
ATOM 2020 CB PHE 248 18.993 32.180 20.787 1.00
42.46
ATOM 2021 CG PHE 248 18.213 30.915 20.991 1.00
44.06
ATOM 2022 CD1 PHE 248 17.006 30.705 20.326 1.00
46.38
ATOM 2023 CD2 PHE 248 18.670 29.948 21.875 1.00
47.18
ATOM 2024 CE1 PHE 248 16.263 29.553 20.540 1.00
45.51
ATOM 2025 CE2 PHE 248 17.939 28.789 22.098 1.00
46.95
ATOM 2026 CZ PHE 248 16.732 28.594 21.426 1.00
45.10
ATOM 2027 N HIS 249 19.603 35.303 20.689 1.00
46.97
ATOM 2028 CA HIS 249 20.611 36.352 20.694 1.00
47.06
ATOM 2029 C HIS 249 20.043 37.777 20.743 1.00
52.16
ATOM 2030 O HIS 249 20.353 38.603 19.896 1.00
57.53
ATOM 2031 CB HIS 249 21.524 36.170 19.471 1.00
49.03
ATOM 2032 CG HIS 249 21.994 34.756 19.246 1.00
43.80
ATOM 2033 ND1 HIS 249 23.287 34.340 19.494 1.00
47.63
ATOM 2034 CD2 HIS 249 21.343 33.670 18.762 1.00
48.20
ATOM 2035 CE1 HIS 249 23.414 33.065 19.173 1.00
51.22
ATOM 2036 NE2 HIS 249 22.248 32.631 18.726 1.00
47.78
ATOM 2037 N THR 250 19.206 38.052 21.735 1.00
62.03
ATOM 2038 CA THR 250 18.597 39.381 21.917 1.00
72.18
ATOM 2039 C THR 250 19.558 40.395 22.571 1.00
75.33
ATOM 2040 O THR 250 19.150 41.565 22.781 1.00
78.71
ATOM 2041 CB THR 250 17.378 39.309 22.847 1.00
73.07
ATOM 2042 OG1 THR 250 16.840 37.980 22.842 1.00
72.53
ATOM 2043 CG2 THR 250 16.301 40.339 22.419 1.00
76.16
ATOM 2044 OXT THR 250 20.674 39.997 22.964 1.00
76.97
TER 2045 THR 250

HETATM 2046 O HOH 1 17.517 11.963 20.575 1.00 51.58

TER

HETATM 2047 O HOH 2 7.977 16.353 14.548 1.00 29.86

TER

HETATM 2048 O HOH 3 3.112 18.553 3.147 1.00 65.78

TER

HETATM 2049 O HOH 4 1.314 20.835 2.312 1.00 46.40

TER

HETATM 2050 O HOH 5 0.422 24.646 -12.882 1.00 58.80

TER

HETATM 2051 O HOH 6 -1.370 30.527 -15.016 1.00 41.87

TER

HETATM 2052 O HOH 7 -4.737 36.972 -13.426 1.00 75.71

TER

HETATM 2053 O HOH 8 4.151 24.024 6.333 1.00 32.89

TER

HETATM 2054 O HOH 9 -7.536 14.518 23.118 1.00 42.77

TER

HETATM 2055 O HOH 10 1.368 26.376 31.674 1.00 49.63

TER

HETATM 2056 O HOH 11 1.207 32.439 14.426 1.00 45.58

TER

HETATM 2057 O HOH 12 4.179 32.582 14.418 1.00 31.77

TER

HETATM 2058 O HOH 13 -5.348 34.883 24.137 1.00 62.76

TER

HETATM 2059 O HOH 14 2.739 25.007 -10.984 1.00 53.83

TER

HETATM 2060 O HOH 15 10.790 29.074 3.632 1.00 61.00

TER

HETATM 2061 O HOH 16 18.090 34.834 6.262 1.00 66.21

TER

HETATM 2062 O HOH 17 28.211 24.615 5.938 1.00 56.69

TER

HETATM 2063 O HOH 18 5.741 29.774 22.458 1.00 37.52

TER

HETATM 2064 O HOH 19 12.529 31.030 16.979 1.00 35.29

TER

HETATM 2065 O HOH 20 7.674 37.499 32.487 1.00 46.92

TER

HETATM 2066 O HOH 21 26.453 8.689 17.052 1.00 48.49

TER

HETATM 2067 O HOH 22 7.032 36.581 14.890 1.00 40.54

TER

HETATM 2068 O HOH 23 6.659 32.126 15.319 1.00 44.19

TER

HETATM 2069 O HOH 24 2.693 46.635 13.278 1.00 46.55

TER

HETATM 2070 O HOH 25 5.869 40.798 18.893 1.00 48.79

TER

HETATM 2071 O HOH 26 16.821 36.244 25.158 1.00 58.36

TER


HETATM 2072 C1 R18A1000 0.414 28.070 4.103 1.00
47.66
HETATM 2073 C10 R18A1000 0.912 29.480 4.476 1.00
49.84
HETATM 2074 C5 R18A1000 2.367 29.553 4.780 1.00
50.29
HETATM 2075 C4 R18A1000 3.174 28.457 4.794 1.00
55.05
HETATM 2076 C3 R18A1000 2.661 27.140 4.532 1.00
53.90
HETATM 2077 C2 R18A1000 1.195 26.999 4.832 1.00
49.34
HETATM 2078 H3 R18A1000 1.044 27.103 5.917 1.00
0.00
HETATM 2079 H4 R18A1000 0.860 26.005 4.500 1.00
0.00
HETATM 2080 O83 R18A1000 3.375 26.212 4.162 1.00
59.41
HETATM 2081 H5 R18A1000 4.234 28.581 5.009 1.00
0.00
HETATM 2082 C6 R18A1000 2.973 30.906 5.116 1.00
47.48
HETATM 2083 C7 R18A1000 2.207 32.030 4.457 1.00
46.11
HETATM 2084 C8 R18A1000 0.733 31.962 4.898 1.00
45.61
HETATM 2085 C14 R18A1000 -0.056 33.066 4.261 1.00
42.93
HETATM 2086 C13 R18A1000 -1.535 33.039 4.664 1.00
44.26
HETATM 2087 C12 R18A1000 -2.102 31.675 4.310 1.00
47.26
HETATM 2088 C11 R18A1000 -1.316 30.583 4.251 1.00
47.61
HETATM 2089 C9 R18A1000 0.124 30.597 4.514 1.00
49.94
HETATM 2090 H11 R18A1000 -1.780 29.632 3.992 1.00
0.00
HETATM 2091 H12 R18A1000 -3.166 31.578 4.100 1.00
0.00
HETATM 2092 C18 R18A1000 -1.725 33.228 6.189 1.00
41.74
HETATM 2093 H18 R18A1000 -0.741 33.386 6.656 1.00
0.00
HETATM 2094 H19 R18A1000 -2.198 32.326 6.606 1.00
0.00
HETATM 2095 H20 R18A1000 -2.368 34.103 6.364 1.00
0.00
HETATM 2096 C17 R18A1000 -2.001 34.282 3.900 1.00
43.39
HETATM 2097 C16 R18A1000 -0.899 35.299 4.311 1.00
41.50
HETATM 2098 C15 R18A1000 0.387 34.509 4.572 1.00
43.22
HETATM 2099 H14 R18A1000 0.706 34.619 5.619 1.00
0.00
HETATM 2100 H15 R18A1000 1.191 34.840 3.899 1.00
0.00
HETATM 2101 H16 R18A1000 -1.213 35.828 5.223 1.00
0.00
HETATM 2102 H17 R18A1000 -0.745 36.019 3.494 1.00
0.00
HETATM 2103 O97 R18A1000 -3.257 34.797 4.345 1.00
48.46
HETATM 2104 H24 R18A1000 -3.102 35.467 5.000 1.00
0.00
HETATM 2105 C27 R18A1000 -2.034 34.050 2.412 1.00
40.38
HETATM 2106 H21 R18A1000 -3.082 34.015 2.078 1.00
0.00
HETATM 2107 H22 R18A1000 -1.536 33.095 2.187 1.00
0.00
HETATM 2108 H23 R18A1000 -1.508 34.875 1.909 1.00
0.00
HETATM 2109 H13 R18A1000 0.026 32.927 3.173 1.00
0.00
HETATM 2110 H10 R18A1000 0.680 32.065 5.992 1.00
0.00
HETATM 2111 H8 R18A1000 2.627 32.999 4.763 1.00
0.00
HETATM 2112 H9 R18A1000 2.258 31.927 3.363 1.00
0.00
HETATM 2113 H6 R18A1000 2.945 31.058 6.205 1.00
0.00
HETATM 2114 H7 R18A1000 4.013 30.939 4.760 1.00
0.00
HETATM 2115 H1 R18A1000 -0.647 27.974 4.377 1.00
0.00
HETATM 2116 H2 R18A1000 0.537 27.914 3.021 1.00 0.00

TER

END



..PREPIN


0 0 2

This is a remark line
molecule.res
  R INT 0
CORRECT OMIT DU BEG
  0.0000
   1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000
   2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000
   3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000
   4 C4 ce M 3 2 1 1.540 111.208 180.000 -0.26170
   5 H5 ha E 4 3 2 1.089 166.822 -119.974 0.14932
   6 C3 c M 4 3 2 1.437 69.091 11.251 0.56976
   7 O83 o E 6 4 3 1.228 122.670 169.869 -0.53525
   8 C2 c3 M 6 4 3 1.503 113.432 -13.492 -0.17994
   9 H4 hc E 8 6 4 1.100 108.754 173.691 0.07284
  10 H3 hc E 8 6 4 1.100 108.771 -66.579 0.07155
  11 C1 c3 M 8 6 4 1.513 109.935 53.576 -0.03424
  12 H2 hc E 11 8 6 1.100 108.413 63.372 0.05787
  13 H1 hc E 11 8 6 1.100 108.430 -177.342 0.05428
  14 C10 cf M 11 8 6 1.541 111.362 -56.995 -0.09508
  15 C5 cf M 14 11 8 1.488 114.220 32.300 0.00488
  16 C6 c3 M 15 14 11 1.520 118.592 178.038 -0.05456
  17 H7 hc E 16 15 14 1.100 109.400 -147.819 0.05818
  18 H6 hc E 16 15 14 1.100 109.372 91.757 0.05889
  19 C7 c3 M 16 15 14 1.511 111.315 -28.029 -0.07275
  20 H9 hc E 19 16 15 1.100 109.907 -62.205 0.05322
  21 H8 hc E 19 16 15 1.100 109.904 176.631 0.04807
  22 C8 c3 M 19 16 15 1.540 109.110 57.222 -0.02064
  23 H10 hc E 22 19 16 1.100 109.071 60.000 0.06590
  24 C9 ce M 22 19 16 1.543 110.212 -58.568 -0.03858
  25 C11 ce M 24 22 19 1.464 116.190 -151.209 -0.15124
  26 H11 ha E 25 24 22 1.089 118.037 -179.096 0.12983
  27 C12 c2 M 25 24 22 1.347 123.951 0.899 -0.11697
  28 H12 ha E 27 25 24 1.089 119.316 -179.983 0.14011
  29 C13 c3 M 27 25 24 1.519 121.364 -0.009 -0.05600
  30 C18 c3 3 29 27 25 1.548 107.058 -94.290 -0.08906
  31 H20 hc E 30 29 27 1.100 108.999 -118.964 0.04828
  32 H19 hc E 30 29 27 1.101 109.019 1.007 0.04747
  33 H18 hc E 30 29 27 1.101 109.010 121.034 0.03339
  34 C14 c3 M 29 27 25 1.533 108.339 26.713 -0.06418
  35 H13 hc E 34 29 27 1.100 109.251 62.057 0.05920
  36 C15 c3 M 34 29 27 1.541 103.930 176.275 -0.07261
  37 H15 hc E 36 34 29 1.100 111.626 -150.190 0.04844
  38 H14 hc E 36 34 29 1.100 111.657 86.344 0.04409
  39 C16 c3 M 36 34 29 1.532 101.958 -31.920 -0.11016
  40 H17 hc E 39 36 34 1.100 110.284 -118.047 0.05581
  41 H16 hc E 39 36 34 1.100 110.268 120.350 0.04826
  42 C17 c3 M 39 36 34 1.555 107.623 1.146 0.16408
  43 O97 oh S 42 39 36 1.429 107.758 149.085 -0.59247
  44 H24 ho E 43 42 39 0.950 109.006 -17.504 0.40178
  45 C27 c3 M 42 39 36 1.506 112.171 -89.548 -0.08134
  46 H23 hc E 45 42 39 1.100 109.007 -18.276 0.04718
  47 H22 hc E 45 42 39 1.100 109.012 101.733 0.04368
  48 H21 hc E 45 42 39 1.100 109.000 -138.235 0.05040


LOOP
   C5 C4
   C9 C10
  C14 C8
  C17 C13

IMPROPER
   C3 C5 C4 H5
   C2 C4 C3 O83
   C1 C9 C10 C5
   C6 C4 C5 C10
   C8 C11 C9 C10
  C12 C9 C11 H11
  C13 C11 C12 H12

DONE
STOP


..frcmod

remark goes here
MASS

BOND

ANGLE
ce-cf-c3 64.300 122.890 same as c2-cf-c3
c3-c3-cf 63.700 110.960 same as c2-c3-c3
cf-ce-c3 64.300 122.890 same as c2-ce-c3
c3-c3-ce 63.700 110.960 same as c2-c3-c3

DIHE
ce-cf-c3-hc 1 0.000 0.000 2.000 same as
X -c2-c3-X
ce-cf-c3-c3 1 0.000 0.000 2.000 same as
X -c2-c3-X
c3-c3-cf-cf 1 0.000 0.000 2.000 same as
X -c2-c3-X
hc-c3-cf-cf 1 0.000 0.000 2.000 same as
X -c2-c3-X
cf-ce-c3-c3 1 0.000 0.000 2.000 same as
X -c2-c3-X
cf-ce-c3-hc 1 0.000 0.000 2.000 same as
X -c2-c3-X
c3-c3-ce-ce 1 0.000 0.000 2.000 same as
X -c2-c3-X
hc-c3-ce-ce 1 0.000 0.000 2.000 same as
X -c2-c3-X

IMPROPER

NONBON


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Jul 16 2005 - 17:53:01 PDT
Custom Search