USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 HIS : no HE2:sc= 0.492 K(o=0.94,f=-3.1!) USER MOD Set 1.2: A 20 GLN : amide:sc= 0.446 K(o=0.94,f=-1.9) USER MOD Set 2.1: A 15 TYR OH : rot 151:sc= 0.587 USER MOD Set 2.2: A 19 LYS NZ :NH3+ 169:sc= 0.7 (180deg=0.0728) USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.0941 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0.466 K(o=0.47,f=-10!) USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 5 ASN : amide:sc= 0.157 K(o=0.16,f=-3.5!) USER MOD Single : A 6 SER OG : rot -150:sc= 0.0547 USER MOD Single : A 8 SER OG : rot 49:sc= 0.793 USER MOD Single : A 11 TYR OH : rot -98:sc= -2.58! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -131:sc= 1.2 (180deg=-0.613) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 120:sc= 0.939 USER MOD Single : A 28 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 156:sc= -0.181 (180deg=-0.852) USER MOD Single : A 48 GLN : amide:sc= 0.974 K(o=0.97,f=-0.97) USER MOD Single : A 53 MET CE :methyl -132:sc= -0.362 (180deg=-2.55) USER MOD Single : A 54 GLN : amide:sc= 0.233 K(o=0.23,f=-0.75) USER MOD Single : A 68 MET CE :methyl -145:sc= -0.0765 (180deg=-0.456) USER MOD Single : A 72 ASN : amide:sc= 1.19 K(o=1.2,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 78:sc= 0.201 USER MOD Single : A 84 TYR OH : rot -157:sc= 0.539 USER MOD Single : A 88 THR OG1 : rot -91:sc= -0.267! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.383 K(o=0.38,f=-5!) USER MOD Single : A 103 MET CE :methyl -167:sc= -5.82! (180deg=-6.52!) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= -0.107 (180deg=-0.559) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -106:sc= -1.48 (180deg=-4.07!) USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= -1.34 (180deg=-3.51!) USER MOD Single : A 110 ASN : amide:sc=-0.00248 K(o=-0.0025,f=-0.85) USER MOD Single : A 113 HIS : no HD1:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 115 HIS : no HD1:sc=-0.00988 X(o=-0.0099,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.5!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.014 1.844 19.811 1.00 0.00 N ATOM 2 CA SER A 1 7.482 0.469 19.733 1.00 0.00 C ATOM 3 C SER A 1 6.483 0.356 18.589 1.00 0.00 C ATOM 4 O SER A 1 5.969 1.364 18.103 1.00 0.00 O ATOM 5 CB SER A 1 6.815 0.101 21.057 1.00 0.00 C ATOM 6 OG SER A 1 7.730 0.224 22.135 1.00 0.00 O ATOM 0 H1 SER A 1 8.978 1.866 19.422 1.00 0.00 H new ATOM 0 H2 SER A 1 7.405 2.484 19.262 1.00 0.00 H new ATOM 0 H3 SER A 1 8.034 2.153 20.804 1.00 0.00 H new ATOM 0 HA SER A 1 8.303 -0.222 19.544 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.955 0.749 21.228 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.439 -0.921 21.008 1.00 0.00 H new ATOM 0 HG SER A 1 7.282 -0.015 22.973 1.00 0.00 H new ATOM 14 N SER A 2 6.214 -0.867 18.160 1.00 0.00 N ATOM 15 CA SER A 2 5.318 -1.105 17.043 1.00 0.00 C ATOM 16 C SER A 2 3.947 -1.548 17.538 1.00 0.00 C ATOM 17 O SER A 2 3.813 -2.029 18.664 1.00 0.00 O ATOM 18 CB SER A 2 5.913 -2.173 16.123 1.00 0.00 C ATOM 19 OG SER A 2 7.218 -1.811 15.695 1.00 0.00 O ATOM 0 H SER A 2 6.607 -1.713 18.572 1.00 0.00 H new ATOM 0 HA SER A 2 5.198 -0.175 16.487 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.951 -3.128 16.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.268 -2.310 15.255 1.00 0.00 H new ATOM 0 HG SER A 2 7.576 -2.511 15.110 1.00 0.00 H new ATOM 25 N ASN A 3 2.934 -1.370 16.704 1.00 0.00 N ATOM 26 CA ASN A 3 1.594 -1.854 17.006 1.00 0.00 C ATOM 27 C ASN A 3 1.344 -3.120 16.195 1.00 0.00 C ATOM 28 O ASN A 3 1.828 -3.243 15.068 1.00 0.00 O ATOM 29 CB ASN A 3 0.540 -0.785 16.656 1.00 0.00 C ATOM 30 CG ASN A 3 -0.858 -1.104 17.189 1.00 0.00 C ATOM 31 OD1 ASN A 3 -1.198 -2.253 17.457 1.00 0.00 O ATOM 32 ND2 ASN A 3 -1.695 -0.087 17.313 1.00 0.00 N ATOM 0 H ASN A 3 3.015 -0.891 15.807 1.00 0.00 H new ATOM 0 HA ASN A 3 1.514 -2.069 18.072 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.862 0.176 17.058 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.490 -0.677 15.572 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.648 -0.248 17.638 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.387 0.858 17.084 1.00 0.00 H new ATOM 39 N ASN A 4 0.595 -4.057 16.763 1.00 0.00 N ATOM 40 CA ASN A 4 0.237 -5.287 16.063 1.00 0.00 C ATOM 41 C ASN A 4 -0.568 -4.972 14.805 1.00 0.00 C ATOM 42 O ASN A 4 -0.666 -5.790 13.891 1.00 0.00 O ATOM 43 CB ASN A 4 -0.579 -6.214 16.975 1.00 0.00 C ATOM 44 CG ASN A 4 0.194 -6.678 18.196 1.00 0.00 C ATOM 45 OD1 ASN A 4 1.418 -6.783 18.171 1.00 0.00 O ATOM 46 ND2 ASN A 4 -0.519 -6.972 19.274 1.00 0.00 N ATOM 0 H ASN A 4 0.222 -3.989 17.710 1.00 0.00 H new ATOM 0 HA ASN A 4 1.160 -5.792 15.780 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.480 -5.694 17.299 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.901 -7.085 16.404 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.053 -7.298 20.121 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.534 -6.872 19.257 1.00 0.00 H new ATOM 53 N ASN A 5 -1.144 -3.774 14.768 1.00 0.00 N ATOM 54 CA ASN A 5 -1.966 -3.350 13.641 1.00 0.00 C ATOM 55 C ASN A 5 -1.283 -2.244 12.837 1.00 0.00 C ATOM 56 O ASN A 5 -1.942 -1.484 12.123 1.00 0.00 O ATOM 57 CB ASN A 5 -3.341 -2.877 14.133 1.00 0.00 C ATOM 58 CG ASN A 5 -4.208 -4.016 14.645 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.711 -5.037 15.122 1.00 0.00 O ATOM 60 ND2 ASN A 5 -5.516 -3.857 14.546 1.00 0.00 N ATOM 0 H ASN A 5 -1.056 -3.078 15.509 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.099 -4.209 12.983 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.205 -2.144 14.929 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.859 -2.370 13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.145 -4.592 14.870 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.897 -2.999 14.146 1.00 0.00 H new ATOM 67 N SER A 6 0.039 -2.152 12.944 1.00 0.00 N ATOM 68 CA SER A 6 0.800 -1.227 12.112 1.00 0.00 C ATOM 69 C SER A 6 0.824 -1.725 10.670 1.00 0.00 C ATOM 70 O SER A 6 0.653 -2.921 10.421 1.00 0.00 O ATOM 71 CB SER A 6 2.226 -1.061 12.643 1.00 0.00 C ATOM 72 OG SER A 6 2.225 -0.468 13.932 1.00 0.00 O ATOM 0 H SER A 6 0.602 -2.702 13.593 1.00 0.00 H new ATOM 0 HA SER A 6 0.313 -0.252 12.144 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.717 -2.033 12.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.804 -0.443 11.956 1.00 0.00 H new ATOM 0 HG SER A 6 3.048 0.050 14.054 1.00 0.00 H new ATOM 78 N PHE A 7 1.037 -0.812 9.728 1.00 0.00 N ATOM 79 CA PHE A 7 0.928 -1.138 8.310 1.00 0.00 C ATOM 80 C PHE A 7 1.894 -2.248 7.909 1.00 0.00 C ATOM 81 O PHE A 7 1.479 -3.222 7.293 1.00 0.00 O ATOM 82 CB PHE A 7 1.160 0.101 7.442 1.00 0.00 C ATOM 83 CG PHE A 7 0.658 -0.065 6.032 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.649 0.267 5.711 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.482 -0.559 5.035 1.00 0.00 C ATOM 86 CE1 PHE A 7 -1.123 0.111 4.421 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.014 -0.715 3.745 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.289 -0.381 3.438 1.00 0.00 C ATOM 0 H PHE A 7 1.286 0.158 9.920 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.087 -1.498 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.664 0.957 7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.226 0.326 7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.305 0.652 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.502 -0.825 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.143 0.374 4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.668 -1.099 2.976 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.656 -0.504 2.430 1.00 0.00 H new ATOM 98 N SER A 8 3.170 -2.110 8.267 1.00 0.00 N ATOM 99 CA SER A 8 4.177 -3.118 7.919 1.00 0.00 C ATOM 100 C SER A 8 3.779 -4.514 8.405 1.00 0.00 C ATOM 101 O SER A 8 3.966 -5.500 7.694 1.00 0.00 O ATOM 102 CB SER A 8 5.540 -2.743 8.504 1.00 0.00 C ATOM 103 OG SER A 8 6.022 -1.538 7.940 1.00 0.00 O ATOM 0 H SER A 8 3.532 -1.316 8.795 1.00 0.00 H new ATOM 0 HA SER A 8 4.242 -3.142 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.458 -2.635 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.253 -3.546 8.317 1.00 0.00 H new ATOM 0 HG SER A 8 5.319 -0.856 7.976 1.00 0.00 H new ATOM 109 N ALA A 9 3.215 -4.587 9.607 1.00 0.00 N ATOM 110 CA ALA A 9 2.835 -5.865 10.196 1.00 0.00 C ATOM 111 C ALA A 9 1.715 -6.523 9.398 1.00 0.00 C ATOM 112 O ALA A 9 1.814 -7.688 9.007 1.00 0.00 O ATOM 113 CB ALA A 9 2.414 -5.675 11.648 1.00 0.00 C ATOM 0 H ALA A 9 3.011 -3.776 10.191 1.00 0.00 H new ATOM 0 HA ALA A 9 3.703 -6.524 10.167 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.133 -6.638 12.074 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.244 -5.255 12.216 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.563 -4.996 11.694 1.00 0.00 H new ATOM 119 N ILE A 10 0.664 -5.760 9.139 1.00 0.00 N ATOM 120 CA ILE A 10 -0.486 -6.267 8.401 1.00 0.00 C ATOM 121 C ILE A 10 -0.128 -6.494 6.938 1.00 0.00 C ATOM 122 O ILE A 10 -0.565 -7.470 6.326 1.00 0.00 O ATOM 123 CB ILE A 10 -1.683 -5.305 8.508 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.009 -5.066 9.981 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.893 -5.866 7.769 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.160 -4.117 10.203 1.00 0.00 C ATOM 0 H ILE A 10 0.582 -4.785 9.429 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.771 -7.220 8.846 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.422 -4.355 8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.242 -6.021 10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.124 -4.672 10.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.728 -5.171 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.645 -6.004 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.173 -6.825 8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.332 -3.997 11.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.923 -3.148 9.763 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.058 -4.519 9.734 1.00 0.00 H new ATOM 138 N TYR A 11 0.682 -5.595 6.389 1.00 0.00 N ATOM 139 CA TYR A 11 1.187 -5.742 5.031 1.00 0.00 C ATOM 140 C TYR A 11 1.924 -7.063 4.880 1.00 0.00 C ATOM 141 O TYR A 11 1.755 -7.759 3.889 1.00 0.00 O ATOM 142 CB TYR A 11 2.127 -4.587 4.661 1.00 0.00 C ATOM 143 CG TYR A 11 2.911 -4.852 3.395 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.296 -4.788 2.155 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.256 -5.203 3.444 1.00 0.00 C ATOM 146 CE1 TYR A 11 2.996 -5.063 0.999 1.00 0.00 C ATOM 147 CE2 TYR A 11 4.960 -5.485 2.291 1.00 0.00 C ATOM 148 CZ TYR A 11 4.324 -5.413 1.073 1.00 0.00 C ATOM 149 OH TYR A 11 5.017 -5.698 -0.078 1.00 0.00 O ATOM 0 H TYR A 11 1.003 -4.753 6.867 1.00 0.00 H new ATOM 0 HA TYR A 11 0.331 -5.725 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.543 -3.675 4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.821 -4.412 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.252 -4.519 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.757 -5.256 4.399 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.503 -5.004 0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.003 -5.760 2.344 1.00 0.00 H new ATOM 0 HH TYR A 11 5.053 -6.669 -0.207 1.00 0.00 H new ATOM 159 N LYS A 12 2.742 -7.404 5.865 1.00 0.00 N ATOM 160 CA LYS A 12 3.529 -8.622 5.795 1.00 0.00 C ATOM 161 C LYS A 12 2.636 -9.852 5.927 1.00 0.00 C ATOM 162 O LYS A 12 2.873 -10.864 5.269 1.00 0.00 O ATOM 163 CB LYS A 12 4.619 -8.627 6.863 1.00 0.00 C ATOM 164 CG LYS A 12 5.597 -9.782 6.725 1.00 0.00 C ATOM 165 CD LYS A 12 6.827 -9.575 7.585 1.00 0.00 C ATOM 166 CE LYS A 12 7.797 -10.737 7.463 1.00 0.00 C ATOM 167 NZ LYS A 12 9.053 -10.473 8.206 1.00 0.00 N ATOM 0 H LYS A 12 2.876 -6.858 6.716 1.00 0.00 H new ATOM 0 HA LYS A 12 4.012 -8.656 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.169 -7.687 6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.152 -8.672 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.105 -10.712 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.895 -9.885 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.326 -8.652 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.528 -9.458 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.330 -11.645 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.025 -10.914 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.694 -11.285 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.510 -9.620 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.837 -10.328 9.213 1.00 0.00 H new ATOM 181 N GLU A 13 1.603 -9.759 6.762 1.00 0.00 N ATOM 182 CA GLU A 13 0.639 -10.847 6.897 1.00 0.00 C ATOM 183 C GLU A 13 -0.098 -11.044 5.571 1.00 0.00 C ATOM 184 O GLU A 13 -0.301 -12.173 5.116 1.00 0.00 O ATOM 185 CB GLU A 13 -0.361 -10.560 8.028 1.00 0.00 C ATOM 186 CG GLU A 13 -1.300 -11.724 8.313 1.00 0.00 C ATOM 187 CD GLU A 13 -2.296 -11.437 9.422 1.00 0.00 C ATOM 188 OE1 GLU A 13 -3.366 -10.859 9.135 1.00 0.00 O ATOM 189 OE2 GLU A 13 -2.018 -11.804 10.583 1.00 0.00 O ATOM 0 H GLU A 13 1.413 -8.948 7.351 1.00 0.00 H new ATOM 0 HA GLU A 13 1.176 -11.761 7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.189 -10.316 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.951 -9.682 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.844 -11.974 7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.710 -12.600 8.582 1.00 0.00 H new ATOM 196 N TRP A 14 -0.478 -9.931 4.955 1.00 0.00 N ATOM 197 CA TRP A 14 -1.109 -9.941 3.641 1.00 0.00 C ATOM 198 C TRP A 14 -0.137 -10.462 2.577 1.00 0.00 C ATOM 199 O TRP A 14 -0.478 -11.352 1.796 1.00 0.00 O ATOM 200 CB TRP A 14 -1.590 -8.523 3.301 1.00 0.00 C ATOM 201 CG TRP A 14 -1.991 -8.325 1.869 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.199 -8.609 1.297 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.177 -7.772 0.832 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.175 -8.274 -0.036 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.944 -7.759 -0.343 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.133 -7.291 0.787 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.446 -7.281 -1.551 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.627 -6.817 -0.409 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.159 -6.814 -1.565 1.00 0.00 C ATOM 0 H TRP A 14 -0.358 -8.999 5.351 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.967 -10.613 3.657 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.439 -8.279 3.939 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.796 -7.817 3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -4.046 -9.033 1.815 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.949 -8.390 -0.690 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.749 -7.290 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.052 -7.278 -2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.639 -6.441 -0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.257 -6.436 -2.487 1.00 0.00 H new ATOM 220 N TYR A 15 1.072 -9.908 2.571 1.00 0.00 N ATOM 221 CA TYR A 15 2.127 -10.313 1.642 1.00 0.00 C ATOM 222 C TYR A 15 2.406 -11.809 1.740 1.00 0.00 C ATOM 223 O TYR A 15 2.465 -12.505 0.730 1.00 0.00 O ATOM 224 CB TYR A 15 3.409 -9.512 1.924 1.00 0.00 C ATOM 225 CG TYR A 15 4.684 -10.212 1.500 1.00 0.00 C ATOM 226 CD1 TYR A 15 5.006 -10.374 0.157 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.560 -10.721 2.451 1.00 0.00 C ATOM 228 CE1 TYR A 15 6.164 -11.028 -0.222 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.719 -11.371 2.079 1.00 0.00 C ATOM 230 CZ TYR A 15 7.016 -11.522 0.742 1.00 0.00 C ATOM 231 OH TYR A 15 8.164 -12.182 0.372 1.00 0.00 O ATOM 0 H TYR A 15 1.350 -9.164 3.211 1.00 0.00 H new ATOM 0 HA TYR A 15 1.788 -10.102 0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.346 -8.553 1.409 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.463 -9.298 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.343 -9.984 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.330 -10.606 3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.400 -11.151 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.389 -11.759 2.831 1.00 0.00 H new ATOM 0 HH TYR A 15 8.850 -12.056 1.060 1.00 0.00 H new ATOM 241 N GLU A 16 2.569 -12.296 2.961 1.00 0.00 N ATOM 242 CA GLU A 16 2.901 -13.691 3.196 1.00 0.00 C ATOM 243 C GLU A 16 1.758 -14.599 2.745 1.00 0.00 C ATOM 244 O GLU A 16 1.983 -15.703 2.249 1.00 0.00 O ATOM 245 CB GLU A 16 3.211 -13.898 4.678 1.00 0.00 C ATOM 246 CG GLU A 16 3.855 -15.231 4.996 1.00 0.00 C ATOM 247 CD GLU A 16 4.426 -15.260 6.395 1.00 0.00 C ATOM 248 OE1 GLU A 16 3.678 -15.575 7.345 1.00 0.00 O ATOM 249 OE2 GLU A 16 5.623 -14.961 6.555 1.00 0.00 O ATOM 0 H GLU A 16 2.475 -11.739 3.810 1.00 0.00 H new ATOM 0 HA GLU A 16 3.783 -13.953 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.871 -13.099 5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.286 -13.809 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.117 -16.026 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.648 -15.432 4.276 1.00 0.00 H new ATOM 256 N HIS A 17 0.536 -14.104 2.893 1.00 0.00 N ATOM 257 CA HIS A 17 -0.650 -14.844 2.482 1.00 0.00 C ATOM 258 C HIS A 17 -0.783 -14.836 0.959 1.00 0.00 C ATOM 259 O HIS A 17 -1.137 -15.845 0.349 1.00 0.00 O ATOM 260 CB HIS A 17 -1.892 -14.228 3.131 1.00 0.00 C ATOM 261 CG HIS A 17 -3.158 -14.997 2.910 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.256 -16.362 3.073 1.00 0.00 N ATOM 263 CD2 HIS A 17 -4.393 -14.572 2.559 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.497 -16.742 2.830 1.00 0.00 C ATOM 265 NE2 HIS A 17 -5.207 -15.672 2.515 1.00 0.00 N ATOM 0 H HIS A 17 0.340 -13.188 3.297 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.555 -15.879 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.719 -14.139 4.204 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.024 -13.217 2.745 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.490 -16.981 3.339 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.684 -13.553 2.352 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.869 -17.755 2.880 1.00 0.00 H new ATOM 274 N LYS A 18 -0.494 -13.694 0.353 1.00 0.00 N ATOM 275 CA LYS A 18 -0.538 -13.568 -1.098 1.00 0.00 C ATOM 276 C LYS A 18 0.623 -14.307 -1.749 1.00 0.00 C ATOM 277 O LYS A 18 0.510 -14.785 -2.877 1.00 0.00 O ATOM 278 CB LYS A 18 -0.529 -12.098 -1.511 1.00 0.00 C ATOM 279 CG LYS A 18 -1.911 -11.468 -1.572 1.00 0.00 C ATOM 280 CD LYS A 18 -2.790 -12.173 -2.595 1.00 0.00 C ATOM 281 CE LYS A 18 -4.065 -11.396 -2.884 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.863 -11.148 -1.656 1.00 0.00 N ATOM 0 H LYS A 18 -0.226 -12.840 0.843 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.466 -14.022 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.085 -11.536 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.056 -12.008 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.380 -11.517 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.822 -10.413 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.231 -12.309 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.047 -13.167 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.810 -10.443 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.670 -11.949 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.854 -11.415 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.481 -11.716 -0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.814 -10.139 -1.408 1.00 0.00 H new ATOM 296 N LYS A 19 1.734 -14.419 -1.031 1.00 0.00 N ATOM 297 CA LYS A 19 2.890 -15.161 -1.518 1.00 0.00 C ATOM 298 C LYS A 19 2.571 -16.655 -1.605 1.00 0.00 C ATOM 299 O LYS A 19 3.277 -17.418 -2.261 1.00 0.00 O ATOM 300 CB LYS A 19 4.104 -14.911 -0.613 1.00 0.00 C ATOM 301 CG LYS A 19 5.364 -15.644 -1.053 1.00 0.00 C ATOM 302 CD LYS A 19 6.609 -15.116 -0.356 1.00 0.00 C ATOM 303 CE LYS A 19 6.506 -15.217 1.157 1.00 0.00 C ATOM 304 NZ LYS A 19 7.742 -14.734 1.825 1.00 0.00 N ATOM 0 H LYS A 19 1.859 -14.004 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 19 3.134 -14.809 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.309 -13.841 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.855 -15.215 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.256 -16.708 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.483 -15.543 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.480 -15.676 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.768 -14.075 -0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.653 -14.633 1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.320 -16.253 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.571 -14.642 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.512 -15.414 1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.009 -13.808 1.434 1.00 0.00 H new ATOM 318 N GLN A 20 1.485 -17.059 -0.957 1.00 0.00 N ATOM 319 CA GLN A 20 1.020 -18.437 -1.034 1.00 0.00 C ATOM 320 C GLN A 20 0.282 -18.665 -2.354 1.00 0.00 C ATOM 321 O GLN A 20 -0.061 -19.794 -2.705 1.00 0.00 O ATOM 322 CB GLN A 20 0.104 -18.759 0.151 1.00 0.00 C ATOM 323 CG GLN A 20 0.781 -18.601 1.505 1.00 0.00 C ATOM 324 CD GLN A 20 -0.177 -18.764 2.673 1.00 0.00 C ATOM 325 OE1 GLN A 20 -1.370 -18.468 2.565 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.338 -19.222 3.802 1.00 0.00 N ATOM 0 H GLN A 20 0.911 -16.452 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 20 1.883 -19.102 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.769 -18.107 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.258 -19.782 0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.580 -19.337 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.246 -17.617 1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.330 -19.456 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.256 -19.341 4.622 1.00 0.00 H new ATOM 335 N VAL A 21 0.042 -17.577 -3.079 1.00 0.00 N ATOM 336 CA VAL A 21 -0.643 -17.636 -4.367 1.00 0.00 C ATOM 337 C VAL A 21 0.300 -17.235 -5.498 1.00 0.00 C ATOM 338 O VAL A 21 0.317 -17.858 -6.562 1.00 0.00 O ATOM 339 CB VAL A 21 -1.885 -16.713 -4.384 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.584 -16.761 -5.734 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.848 -17.091 -3.268 1.00 0.00 C ATOM 0 H VAL A 21 0.314 -16.636 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.969 -18.666 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.547 -15.690 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.453 -16.103 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.895 -16.433 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.906 -17.782 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.715 -16.431 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.173 -18.123 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.347 -16.991 -2.305 1.00 0.00 H new ATOM 351 N TRP A 22 1.086 -16.197 -5.258 1.00 0.00 N ATOM 352 CA TRP A 22 2.023 -15.696 -6.255 1.00 0.00 C ATOM 353 C TRP A 22 3.276 -16.562 -6.321 1.00 0.00 C ATOM 354 O TRP A 22 3.507 -17.420 -5.463 1.00 0.00 O ATOM 355 CB TRP A 22 2.440 -14.256 -5.938 1.00 0.00 C ATOM 356 CG TRP A 22 1.305 -13.276 -5.864 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.126 -13.316 -6.556 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.259 -12.092 -5.061 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.651 -12.232 -6.221 1.00 0.00 N ATOM 360 CE2 TRP A 22 0.023 -11.466 -5.308 1.00 0.00 C ATOM 361 CE3 TRP A 22 2.144 -11.500 -4.155 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.348 -10.280 -4.682 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.773 -10.324 -3.533 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.536 -9.724 -3.799 1.00 0.00 C ATOM 0 H TRP A 22 1.094 -15.682 -4.378 1.00 0.00 H new ATOM 0 HA TRP A 22 1.511 -15.728 -7.217 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.972 -14.247 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.143 -13.920 -6.700 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.153 -14.085 -7.261 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.579 -12.031 -6.593 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.101 -11.954 -3.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.301 -9.815 -4.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.448 -9.859 -2.830 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.275 -8.804 -3.297 1.00 0.00 H new ATOM 375 N SER A 23 4.076 -16.335 -7.350 1.00 0.00 N ATOM 376 CA SER A 23 5.385 -16.953 -7.449 1.00 0.00 C ATOM 377 C SER A 23 6.353 -16.224 -6.520 1.00 0.00 C ATOM 378 O SER A 23 6.179 -15.031 -6.256 1.00 0.00 O ATOM 379 CB SER A 23 5.884 -16.898 -8.893 1.00 0.00 C ATOM 380 OG SER A 23 4.968 -17.522 -9.778 1.00 0.00 O ATOM 0 H SER A 23 3.839 -15.724 -8.131 1.00 0.00 H new ATOM 0 HA SER A 23 5.320 -17.999 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.030 -15.860 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.854 -17.390 -8.964 1.00 0.00 H new ATOM 0 HG SER A 23 5.312 -17.471 -10.694 1.00 0.00 H new ATOM 386 N VAL A 24 7.362 -16.931 -6.029 1.00 0.00 N ATOM 387 CA VAL A 24 8.295 -16.361 -5.062 1.00 0.00 C ATOM 388 C VAL A 24 9.016 -15.145 -5.641 1.00 0.00 C ATOM 389 O VAL A 24 9.238 -14.156 -4.940 1.00 0.00 O ATOM 390 CB VAL A 24 9.326 -17.408 -4.576 1.00 0.00 C ATOM 391 CG1 VAL A 24 10.221 -17.881 -5.711 1.00 0.00 C ATOM 392 CG2 VAL A 24 10.159 -16.852 -3.432 1.00 0.00 C ATOM 0 H VAL A 24 7.557 -17.899 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 24 7.706 -16.041 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 24 8.770 -18.272 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.932 -18.615 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.610 -18.336 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.763 -17.031 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.877 -17.604 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.692 -15.963 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.505 -16.589 -2.600 1.00 0.00 H new ATOM 402 N GLY A 25 9.344 -15.205 -6.927 1.00 0.00 N ATOM 403 CA GLY A 25 10.017 -14.100 -7.575 1.00 0.00 C ATOM 404 C GLY A 25 9.130 -12.877 -7.665 1.00 0.00 C ATOM 405 O GLY A 25 9.560 -11.764 -7.362 1.00 0.00 O ATOM 0 H GLY A 25 9.154 -16.004 -7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.923 -13.852 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.326 -14.399 -8.576 1.00 0.00 H new ATOM 409 N TYR A 26 7.877 -13.092 -8.056 1.00 0.00 N ATOM 410 CA TYR A 26 6.917 -12.005 -8.177 1.00 0.00 C ATOM 411 C TYR A 26 6.592 -11.424 -6.805 1.00 0.00 C ATOM 412 O TYR A 26 6.514 -10.207 -6.642 1.00 0.00 O ATOM 413 CB TYR A 26 5.634 -12.489 -8.866 1.00 0.00 C ATOM 414 CG TYR A 26 4.589 -11.406 -9.027 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.730 -10.419 -9.994 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.468 -11.367 -8.209 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.784 -9.423 -10.140 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.514 -10.376 -8.351 1.00 0.00 C ATOM 419 CZ TYR A 26 2.679 -9.407 -9.318 1.00 0.00 C ATOM 420 OH TYR A 26 1.736 -8.412 -9.463 1.00 0.00 O ATOM 0 H TYR A 26 7.505 -14.011 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 26 7.364 -11.223 -8.790 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.887 -12.887 -9.848 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.209 -13.310 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.594 -10.430 -10.643 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.339 -12.123 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.910 -8.661 -10.895 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.646 -10.361 -7.709 1.00 0.00 H new ATOM 0 HH TYR A 26 0.868 -8.813 -9.679 1.00 0.00 H new ATOM 430 N ALA A 27 6.427 -12.298 -5.821 1.00 0.00 N ATOM 431 CA ALA A 27 6.099 -11.868 -4.469 1.00 0.00 C ATOM 432 C ALA A 27 7.235 -11.046 -3.872 1.00 0.00 C ATOM 433 O ALA A 27 7.004 -10.004 -3.259 1.00 0.00 O ATOM 434 CB ALA A 27 5.792 -13.069 -3.592 1.00 0.00 C ATOM 0 H ALA A 27 6.515 -13.308 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 27 5.212 -11.237 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.549 -12.731 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.944 -13.615 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.662 -13.724 -3.555 1.00 0.00 H new ATOM 440 N THR A 28 8.460 -11.514 -4.065 1.00 0.00 N ATOM 441 CA THR A 28 9.630 -10.814 -3.560 1.00 0.00 C ATOM 442 C THR A 28 9.814 -9.478 -4.275 1.00 0.00 C ATOM 443 O THR A 28 10.033 -8.455 -3.633 1.00 0.00 O ATOM 444 CB THR A 28 10.903 -11.668 -3.718 1.00 0.00 C ATOM 445 OG1 THR A 28 10.709 -12.936 -3.081 1.00 0.00 O ATOM 446 CG2 THR A 28 12.112 -10.972 -3.108 1.00 0.00 C ATOM 0 H THR A 28 8.668 -12.376 -4.568 1.00 0.00 H new ATOM 0 HA THR A 28 9.466 -10.629 -2.498 1.00 0.00 H new ATOM 0 HB THR A 28 11.091 -11.809 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.279 -13.555 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.995 -11.599 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.271 -10.016 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.937 -10.803 -2.046 1.00 0.00 H new ATOM 454 N GLU A 29 9.694 -9.488 -5.597 1.00 0.00 N ATOM 455 CA GLU A 29 9.865 -8.279 -6.395 1.00 0.00 C ATOM 456 C GLU A 29 8.798 -7.245 -6.037 1.00 0.00 C ATOM 457 O GLU A 29 9.061 -6.038 -6.026 1.00 0.00 O ATOM 458 CB GLU A 29 9.794 -8.622 -7.882 1.00 0.00 C ATOM 459 CG GLU A 29 10.324 -7.527 -8.793 1.00 0.00 C ATOM 460 CD GLU A 29 11.780 -7.197 -8.518 1.00 0.00 C ATOM 461 OE1 GLU A 29 12.632 -8.102 -8.644 1.00 0.00 O ATOM 462 OE2 GLU A 29 12.079 -6.033 -8.185 1.00 0.00 O ATOM 0 H GLU A 29 9.478 -10.323 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 29 10.844 -7.851 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.360 -9.536 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.758 -8.832 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.215 -7.839 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.721 -6.628 -8.665 1.00 0.00 H new ATOM 469 N LEU A 30 7.601 -7.726 -5.738 1.00 0.00 N ATOM 470 CA LEU A 30 6.501 -6.865 -5.329 1.00 0.00 C ATOM 471 C LEU A 30 6.788 -6.255 -3.963 1.00 0.00 C ATOM 472 O LEU A 30 6.704 -5.040 -3.788 1.00 0.00 O ATOM 473 CB LEU A 30 5.192 -7.667 -5.305 1.00 0.00 C ATOM 474 CG LEU A 30 3.912 -6.868 -5.024 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.714 -7.590 -5.606 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.705 -6.658 -3.528 1.00 0.00 C ATOM 0 H LEU A 30 7.365 -8.718 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 30 6.397 -6.052 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.079 -8.167 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.282 -8.447 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 30 4.017 -5.891 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.810 -7.017 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.841 -7.696 -6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.628 -8.577 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.790 -6.089 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.624 -7.626 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.552 -6.109 -3.117 1.00 0.00 H new ATOM 488 N ALA A 31 7.135 -7.107 -3.003 1.00 0.00 N ATOM 489 CA ALA A 31 7.427 -6.656 -1.650 1.00 0.00 C ATOM 490 C ALA A 31 8.643 -5.737 -1.643 1.00 0.00 C ATOM 491 O ALA A 31 8.718 -4.802 -0.856 1.00 0.00 O ATOM 492 CB ALA A 31 7.639 -7.846 -0.727 1.00 0.00 C ATOM 0 H ALA A 31 7.220 -8.114 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 31 6.573 -6.088 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.856 -7.491 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.737 -8.458 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.476 -8.443 -1.090 1.00 0.00 H new ATOM 498 N LYS A 32 9.584 -6.017 -2.532 1.00 0.00 N ATOM 499 CA LYS A 32 10.756 -5.172 -2.723 1.00 0.00 C ATOM 500 C LYS A 32 10.337 -3.781 -3.195 1.00 0.00 C ATOM 501 O LYS A 32 10.721 -2.769 -2.607 1.00 0.00 O ATOM 502 CB LYS A 32 11.690 -5.831 -3.741 1.00 0.00 C ATOM 503 CG LYS A 32 12.907 -5.009 -4.117 1.00 0.00 C ATOM 504 CD LYS A 32 13.767 -5.756 -5.119 1.00 0.00 C ATOM 505 CE LYS A 32 14.962 -4.930 -5.556 1.00 0.00 C ATOM 506 NZ LYS A 32 15.837 -5.689 -6.484 1.00 0.00 N ATOM 0 H LYS A 32 9.558 -6.835 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 32 11.282 -5.060 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.026 -6.787 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.122 -6.048 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.592 -4.055 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.491 -4.785 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.112 -6.691 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.167 -6.018 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.617 -4.018 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.535 -4.626 -4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.644 -5.096 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.185 -6.546 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.295 -5.957 -7.330 1.00 0.00 H new ATOM 520 N MET A 33 9.529 -3.749 -4.250 1.00 0.00 N ATOM 521 CA MET A 33 8.999 -2.501 -4.792 1.00 0.00 C ATOM 522 C MET A 33 8.253 -1.719 -3.716 1.00 0.00 C ATOM 523 O MET A 33 8.505 -0.529 -3.501 1.00 0.00 O ATOM 524 CB MET A 33 8.055 -2.807 -5.957 1.00 0.00 C ATOM 525 CG MET A 33 7.368 -1.586 -6.541 1.00 0.00 C ATOM 526 SD MET A 33 6.187 -2.015 -7.835 1.00 0.00 S ATOM 527 CE MET A 33 4.997 -2.973 -6.897 1.00 0.00 C ATOM 0 H MET A 33 9.224 -4.583 -4.752 1.00 0.00 H new ATOM 0 HA MET A 33 9.832 -1.894 -5.146 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.620 -3.304 -6.746 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.294 -3.510 -5.618 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.852 -1.048 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.119 -0.910 -6.948 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.032 -2.951 -7.404 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.342 -4.004 -6.817 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.893 -2.547 -5.899 1.00 0.00 H new ATOM 537 N PHE A 34 7.351 -2.414 -3.040 1.00 0.00 N ATOM 538 CA PHE A 34 6.529 -1.831 -1.989 1.00 0.00 C ATOM 539 C PHE A 34 7.410 -1.289 -0.863 1.00 0.00 C ATOM 540 O PHE A 34 7.220 -0.175 -0.392 1.00 0.00 O ATOM 541 CB PHE A 34 5.590 -2.909 -1.447 1.00 0.00 C ATOM 542 CG PHE A 34 4.310 -2.393 -0.860 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.283 -1.813 0.399 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.124 -2.505 -1.568 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.098 -1.350 0.936 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.935 -2.046 -1.035 1.00 0.00 C ATOM 547 CZ PHE A 34 1.922 -1.468 0.218 1.00 0.00 C ATOM 0 H PHE A 34 7.167 -3.404 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 34 5.948 -1.003 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.350 -3.601 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.118 -3.481 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.198 -1.722 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.129 -2.957 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.090 -0.896 1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.018 -2.139 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.994 -1.108 0.638 1.00 0.00 H new ATOM 557 N ASP A 35 8.385 -2.079 -0.449 1.00 0.00 N ATOM 558 CA ASP A 35 9.260 -1.697 0.653 1.00 0.00 C ATOM 559 C ASP A 35 10.098 -0.464 0.311 1.00 0.00 C ATOM 560 O ASP A 35 10.115 0.503 1.065 1.00 0.00 O ATOM 561 CB ASP A 35 10.167 -2.869 1.035 1.00 0.00 C ATOM 562 CG ASP A 35 11.194 -2.507 2.085 1.00 0.00 C ATOM 563 OD1 ASP A 35 10.849 -2.492 3.286 1.00 0.00 O ATOM 564 OD2 ASP A 35 12.359 -2.254 1.714 1.00 0.00 O ATOM 0 H ASP A 35 8.593 -2.990 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 35 8.630 -1.439 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.553 -3.691 1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.680 -3.230 0.143 1.00 0.00 H new ATOM 569 N ASP A 36 10.760 -0.485 -0.837 1.00 0.00 N ATOM 570 CA ASP A 36 11.690 0.588 -1.197 1.00 0.00 C ATOM 571 C ASP A 36 11.010 1.948 -1.337 1.00 0.00 C ATOM 572 O ASP A 36 11.577 2.968 -0.939 1.00 0.00 O ATOM 573 CB ASP A 36 12.428 0.262 -2.497 1.00 0.00 C ATOM 574 CG ASP A 36 13.581 -0.698 -2.292 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.620 -0.275 -1.746 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.462 -1.875 -2.687 1.00 0.00 O ATOM 0 H ASP A 36 10.675 -1.225 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 36 12.399 0.653 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.725 -0.168 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.804 1.185 -2.938 1.00 0.00 H new ATOM 581 N ASP A 37 9.809 1.978 -1.902 1.00 0.00 N ATOM 582 CA ASP A 37 9.162 3.255 -2.208 1.00 0.00 C ATOM 583 C ASP A 37 8.000 3.582 -1.271 1.00 0.00 C ATOM 584 O ASP A 37 7.595 4.737 -1.174 1.00 0.00 O ATOM 585 CB ASP A 37 8.674 3.276 -3.662 1.00 0.00 C ATOM 586 CG ASP A 37 9.796 3.508 -4.655 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.518 2.544 -4.990 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.964 4.656 -5.118 1.00 0.00 O ATOM 0 H ASP A 37 9.269 1.151 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 37 9.921 4.023 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.184 2.330 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.925 4.059 -3.778 1.00 0.00 H new ATOM 593 N ILE A 38 7.466 2.587 -0.576 1.00 0.00 N ATOM 594 CA ILE A 38 6.274 2.801 0.247 1.00 0.00 C ATOM 595 C ILE A 38 6.590 2.720 1.743 1.00 0.00 C ATOM 596 O ILE A 38 6.044 3.485 2.545 1.00 0.00 O ATOM 597 CB ILE A 38 5.168 1.775 -0.092 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.933 1.737 -1.607 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.883 2.104 0.656 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.744 0.901 -2.033 1.00 0.00 C ATOM 0 H ILE A 38 7.830 1.634 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 38 5.919 3.806 0.019 1.00 0.00 H new ATOM 0 HB ILE A 38 5.494 0.786 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.793 2.756 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.828 1.348 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.117 1.370 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.070 2.079 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.540 3.099 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.650 0.929 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.888 -0.129 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.837 1.301 -1.580 1.00 0.00 H new ATOM 612 N LEU A 39 7.484 1.809 2.113 1.00 0.00 N ATOM 613 CA LEU A 39 7.780 1.542 3.522 1.00 0.00 C ATOM 614 C LEU A 39 8.296 2.790 4.260 1.00 0.00 C ATOM 615 O LEU A 39 7.801 3.100 5.341 1.00 0.00 O ATOM 616 CB LEU A 39 8.779 0.386 3.650 1.00 0.00 C ATOM 617 CG LEU A 39 8.512 -0.607 4.785 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.797 0.022 6.139 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.078 -1.112 4.718 1.00 0.00 C ATOM 0 H LEU A 39 8.019 1.240 1.457 1.00 0.00 H new ATOM 0 HA LEU A 39 6.842 1.256 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.792 -0.163 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.775 0.806 3.788 1.00 0.00 H new ATOM 0 HG LEU A 39 9.186 -1.455 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.599 -0.705 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.841 0.331 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.155 0.892 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.902 -1.817 5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.391 -0.271 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.912 -1.610 3.763 1.00 0.00 H new ATOM 631 N PRO A 40 9.275 3.543 3.704 1.00 0.00 N ATOM 632 CA PRO A 40 9.793 4.757 4.359 1.00 0.00 C ATOM 633 C PRO A 40 8.746 5.867 4.488 1.00 0.00 C ATOM 634 O PRO A 40 8.983 6.880 5.150 1.00 0.00 O ATOM 635 CB PRO A 40 10.930 5.214 3.438 1.00 0.00 C ATOM 636 CG PRO A 40 10.630 4.593 2.120 1.00 0.00 C ATOM 637 CD PRO A 40 9.977 3.279 2.430 1.00 0.00 C ATOM 0 HA PRO A 40 10.105 4.545 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.965 6.301 3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.899 4.889 3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.970 5.228 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.541 4.450 1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.285 2.978 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.710 2.479 2.533 1.00 0.00 H new ATOM 645 N ILE A 41 7.591 5.674 3.860 1.00 0.00 N ATOM 646 CA ILE A 41 6.549 6.692 3.864 1.00 0.00 C ATOM 647 C ILE A 41 5.444 6.361 4.864 1.00 0.00 C ATOM 648 O ILE A 41 5.132 7.173 5.736 1.00 0.00 O ATOM 649 CB ILE A 41 5.944 6.883 2.455 1.00 0.00 C ATOM 650 CG1 ILE A 41 7.048 7.240 1.452 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.869 7.964 2.475 1.00 0.00 C ATOM 652 CD1 ILE A 41 6.539 7.503 0.051 1.00 0.00 C ATOM 0 H ILE A 41 7.354 4.826 3.344 1.00 0.00 H new ATOM 0 HA ILE A 41 7.021 7.626 4.170 1.00 0.00 H new ATOM 0 HB ILE A 41 5.479 5.947 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.577 8.124 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.773 6.426 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.455 8.084 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.075 7.675 3.164 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.307 8.907 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.378 7.749 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.035 6.613 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.837 8.337 0.069 1.00 0.00 H new ATOM 664 N ILE A 42 4.848 5.177 4.754 1.00 0.00 N ATOM 665 CA ILE A 42 3.744 4.816 5.643 1.00 0.00 C ATOM 666 C ILE A 42 3.966 3.475 6.332 1.00 0.00 C ATOM 667 O ILE A 42 3.102 3.004 7.070 1.00 0.00 O ATOM 668 CB ILE A 42 2.397 4.738 4.902 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.437 3.641 3.839 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.042 6.077 4.280 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.076 3.065 3.540 1.00 0.00 C ATOM 0 H ILE A 42 5.103 4.462 4.073 1.00 0.00 H new ATOM 0 HA ILE A 42 3.714 5.613 6.386 1.00 0.00 H new ATOM 0 HB ILE A 42 1.622 4.489 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.864 4.046 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.099 2.842 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.086 5.996 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.968 6.833 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.816 6.365 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.168 2.291 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.657 2.632 4.448 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.418 3.855 3.177 1.00 0.00 H new ATOM 683 N GLY A 43 5.117 2.864 6.099 1.00 0.00 N ATOM 684 CA GLY A 43 5.376 1.545 6.647 1.00 0.00 C ATOM 685 C GLY A 43 5.312 1.525 8.158 1.00 0.00 C ATOM 686 O GLY A 43 4.753 0.600 8.755 1.00 0.00 O ATOM 0 H GLY A 43 5.877 3.255 5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.649 0.839 6.246 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.360 1.207 6.323 1.00 0.00 H new ATOM 690 N GLY A 44 5.871 2.555 8.775 1.00 0.00 N ATOM 691 CA GLY A 44 5.882 2.637 10.219 1.00 0.00 C ATOM 692 C GLY A 44 4.614 3.244 10.790 1.00 0.00 C ATOM 693 O GLY A 44 4.542 3.506 11.990 1.00 0.00 O ATOM 0 H GLY A 44 6.319 3.338 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.018 1.638 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.738 3.232 10.537 1.00 0.00 H new ATOM 697 N LEU A 45 3.611 3.469 9.947 1.00 0.00 N ATOM 698 CA LEU A 45 2.360 4.041 10.416 1.00 0.00 C ATOM 699 C LEU A 45 1.370 2.937 10.759 1.00 0.00 C ATOM 700 O LEU A 45 1.600 1.763 10.455 1.00 0.00 O ATOM 701 CB LEU A 45 1.766 4.979 9.359 1.00 0.00 C ATOM 702 CG LEU A 45 2.657 6.160 8.967 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.999 6.988 7.875 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.963 7.026 10.182 1.00 0.00 C ATOM 0 H LEU A 45 3.641 3.266 8.948 1.00 0.00 H new ATOM 0 HA LEU A 45 2.563 4.621 11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.544 4.398 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.818 5.367 9.731 1.00 0.00 H new ATOM 0 HG LEU A 45 3.597 5.766 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.648 7.823 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.833 6.365 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.044 7.371 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.598 7.860 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.032 7.409 10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.479 6.429 10.934 1.00 0.00 H new ATOM 716 N GLU A 46 0.279 3.309 11.405 1.00 0.00 N ATOM 717 CA GLU A 46 -0.767 2.361 11.744 1.00 0.00 C ATOM 718 C GLU A 46 -1.799 2.336 10.634 1.00 0.00 C ATOM 719 O GLU A 46 -2.117 3.372 10.061 1.00 0.00 O ATOM 720 CB GLU A 46 -1.424 2.740 13.072 1.00 0.00 C ATOM 721 CG GLU A 46 -0.452 2.760 14.238 1.00 0.00 C ATOM 722 CD GLU A 46 -1.092 3.241 15.520 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.273 4.463 15.674 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.400 2.398 16.386 1.00 0.00 O ATOM 0 H GLU A 46 0.094 4.266 11.706 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.329 1.369 11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.884 3.723 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.225 2.033 13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.052 1.758 14.390 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.391 3.406 13.992 1.00 0.00 H new ATOM 731 N ILE A 47 -2.328 1.160 10.337 1.00 0.00 N ATOM 732 CA ILE A 47 -3.269 1.018 9.231 1.00 0.00 C ATOM 733 C ILE A 47 -4.597 1.709 9.556 1.00 0.00 C ATOM 734 O ILE A 47 -5.420 1.954 8.676 1.00 0.00 O ATOM 735 CB ILE A 47 -3.509 -0.468 8.888 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.016 -0.605 7.452 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.498 -1.090 9.865 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.024 -2.027 6.943 1.00 0.00 C ATOM 0 H ILE A 47 -2.126 0.296 10.839 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.829 1.501 8.359 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.562 -1.001 8.975 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.027 -0.202 7.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.392 0.003 6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.654 -2.137 9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.101 -1.021 10.878 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.447 -0.557 9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.396 -2.045 5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.011 -2.428 6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.671 -2.636 7.574 1.00 0.00 H new ATOM 750 N GLN A 48 -4.789 2.026 10.832 1.00 0.00 N ATOM 751 CA GLN A 48 -5.985 2.731 11.274 1.00 0.00 C ATOM 752 C GLN A 48 -5.730 4.234 11.283 1.00 0.00 C ATOM 753 O GLN A 48 -6.649 5.031 11.471 1.00 0.00 O ATOM 754 CB GLN A 48 -6.382 2.289 12.683 1.00 0.00 C ATOM 755 CG GLN A 48 -6.453 0.784 12.877 1.00 0.00 C ATOM 756 CD GLN A 48 -6.812 0.415 14.301 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.521 1.160 15.235 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.429 -0.741 14.482 1.00 0.00 N ATOM 0 H GLN A 48 -4.130 1.805 11.579 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.793 2.495 10.582 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.666 2.700 13.394 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.354 2.720 12.924 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.193 0.365 12.196 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.493 0.339 12.618 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.653 -1.331 13.680 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.681 -1.043 15.423 1.00 0.00 H new ATOM 767 N ASP A 49 -4.477 4.619 11.082 1.00 0.00 N ATOM 768 CA ASP A 49 -4.088 6.014 11.198 1.00 0.00 C ATOM 769 C ASP A 49 -3.124 6.401 10.085 1.00 0.00 C ATOM 770 O ASP A 49 -1.908 6.441 10.279 1.00 0.00 O ATOM 771 CB ASP A 49 -3.457 6.284 12.569 1.00 0.00 C ATOM 772 CG ASP A 49 -3.214 7.759 12.814 1.00 0.00 C ATOM 773 OD1 ASP A 49 -4.199 8.529 12.821 1.00 0.00 O ATOM 774 OD2 ASP A 49 -2.049 8.152 13.028 1.00 0.00 O ATOM 0 H ASP A 49 -3.716 3.985 10.839 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.985 6.626 11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.109 5.892 13.349 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.512 5.746 12.643 1.00 0.00 H new ATOM 779 N ILE A 50 -3.675 6.641 8.904 1.00 0.00 N ATOM 780 CA ILE A 50 -2.889 7.099 7.775 1.00 0.00 C ATOM 781 C ILE A 50 -3.562 8.292 7.123 1.00 0.00 C ATOM 782 O ILE A 50 -4.690 8.204 6.636 1.00 0.00 O ATOM 783 CB ILE A 50 -2.665 5.992 6.722 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.811 4.868 7.314 1.00 0.00 C ATOM 785 CG2 ILE A 50 -2.001 6.566 5.475 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.462 3.789 6.319 1.00 0.00 C ATOM 0 H ILE A 50 -4.669 6.524 8.705 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.911 7.386 8.162 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.634 5.582 6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.891 5.294 7.714 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.345 4.420 8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.851 5.771 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.639 7.338 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.037 6.999 5.743 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.856 3.026 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.377 3.336 5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.900 4.224 5.492 1.00 0.00 H new ATOM 798 N GLU A 51 -2.866 9.408 7.136 1.00 0.00 N ATOM 799 CA GLU A 51 -3.372 10.637 6.556 1.00 0.00 C ATOM 800 C GLU A 51 -3.298 10.576 5.032 1.00 0.00 C ATOM 801 O GLU A 51 -2.333 10.049 4.472 1.00 0.00 O ATOM 802 CB GLU A 51 -2.586 11.828 7.108 1.00 0.00 C ATOM 803 CG GLU A 51 -1.080 11.666 7.012 1.00 0.00 C ATOM 804 CD GLU A 51 -0.340 12.536 8.003 1.00 0.00 C ATOM 805 OE1 GLU A 51 -0.133 12.084 9.147 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.040 13.672 7.646 1.00 0.00 O ATOM 0 H GLU A 51 -1.936 9.491 7.547 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.420 10.762 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.880 12.728 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.860 11.980 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.818 10.622 7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.755 11.914 6.002 1.00 0.00 H new ATOM 813 N PRO A 52 -4.330 11.099 4.348 1.00 0.00 N ATOM 814 CA PRO A 52 -4.437 11.041 2.887 1.00 0.00 C ATOM 815 C PRO A 52 -3.190 11.566 2.174 1.00 0.00 C ATOM 816 O PRO A 52 -2.748 10.987 1.182 1.00 0.00 O ATOM 817 CB PRO A 52 -5.646 11.932 2.564 1.00 0.00 C ATOM 818 CG PRO A 52 -5.963 12.661 3.825 1.00 0.00 C ATOM 819 CD PRO A 52 -5.486 11.783 4.944 1.00 0.00 C ATOM 0 HA PRO A 52 -4.545 10.012 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.414 12.628 1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.495 11.334 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.465 13.630 3.851 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.033 12.850 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.204 12.364 5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.254 11.078 5.261 1.00 0.00 H new ATOM 827 N MET A 53 -2.620 12.648 2.693 1.00 0.00 N ATOM 828 CA MET A 53 -1.430 13.250 2.096 1.00 0.00 C ATOM 829 C MET A 53 -0.240 12.301 2.156 1.00 0.00 C ATOM 830 O MET A 53 0.609 12.302 1.268 1.00 0.00 O ATOM 831 CB MET A 53 -1.078 14.566 2.792 1.00 0.00 C ATOM 832 CG MET A 53 -1.981 15.725 2.405 1.00 0.00 C ATOM 833 SD MET A 53 -1.818 16.172 0.666 1.00 0.00 S ATOM 834 CE MET A 53 -0.092 16.646 0.604 1.00 0.00 C ATOM 0 H MET A 53 -2.962 13.127 3.526 1.00 0.00 H new ATOM 0 HA MET A 53 -1.658 13.453 1.050 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.131 14.421 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.046 14.827 2.556 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.017 15.460 2.614 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.743 16.590 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.005 17.601 0.088 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.296 16.740 1.618 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.475 15.885 0.068 1.00 0.00 H new ATOM 844 N GLN A 54 -0.189 11.484 3.197 1.00 0.00 N ATOM 845 CA GLN A 54 0.917 10.557 3.387 1.00 0.00 C ATOM 846 C GLN A 54 0.746 9.356 2.460 1.00 0.00 C ATOM 847 O GLN A 54 1.708 8.856 1.872 1.00 0.00 O ATOM 848 CB GLN A 54 0.964 10.103 4.847 1.00 0.00 C ATOM 849 CG GLN A 54 2.302 9.536 5.292 1.00 0.00 C ATOM 850 CD GLN A 54 3.417 10.569 5.281 1.00 0.00 C ATOM 851 OE1 GLN A 54 3.177 11.771 5.424 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.646 10.102 5.147 1.00 0.00 N ATOM 0 H GLN A 54 -0.902 11.444 3.925 1.00 0.00 H new ATOM 0 HA GLN A 54 1.856 11.055 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.713 10.950 5.485 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.194 9.347 5.003 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.201 9.129 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.575 8.708 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.801 9.101 5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.439 10.743 5.160 1.00 0.00 H new ATOM 861 N LEU A 55 -0.495 8.911 2.318 1.00 0.00 N ATOM 862 CA LEU A 55 -0.809 7.792 1.442 1.00 0.00 C ATOM 863 C LEU A 55 -0.614 8.199 -0.019 1.00 0.00 C ATOM 864 O LEU A 55 -0.119 7.420 -0.834 1.00 0.00 O ATOM 865 CB LEU A 55 -2.244 7.315 1.690 1.00 0.00 C ATOM 866 CG LEU A 55 -2.629 5.996 1.014 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.682 4.882 1.433 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.066 5.625 1.357 1.00 0.00 C ATOM 0 H LEU A 55 -1.301 9.309 2.799 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.132 6.966 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.392 7.208 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.930 8.091 1.349 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.550 6.127 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.973 3.953 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.664 5.142 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.730 4.751 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.325 4.685 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.165 5.513 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.737 6.411 1.011 1.00 0.00 H new ATOM 880 N LEU A 56 -0.986 9.433 -0.341 1.00 0.00 N ATOM 881 CA LEU A 56 -0.765 9.961 -1.678 1.00 0.00 C ATOM 882 C LEU A 56 0.723 10.207 -1.896 1.00 0.00 C ATOM 883 O LEU A 56 1.210 10.129 -3.017 1.00 0.00 O ATOM 884 CB LEU A 56 -1.587 11.248 -1.897 1.00 0.00 C ATOM 885 CG LEU A 56 -1.540 11.865 -3.310 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.382 12.842 -3.444 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.441 10.785 -4.374 1.00 0.00 C ATOM 0 H LEU A 56 -1.439 10.082 0.303 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.102 9.229 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.628 11.033 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.241 11.998 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.471 12.413 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.374 13.261 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.498 13.646 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.557 12.320 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.410 11.248 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.533 10.202 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.309 10.129 -4.309 1.00 0.00 H new ATOM 899 N GLU A 57 1.445 10.482 -0.817 1.00 0.00 N ATOM 900 CA GLU A 57 2.887 10.660 -0.903 1.00 0.00 C ATOM 901 C GLU A 57 3.522 9.393 -1.467 1.00 0.00 C ATOM 902 O GLU A 57 4.445 9.458 -2.271 1.00 0.00 O ATOM 903 CB GLU A 57 3.477 10.988 0.470 1.00 0.00 C ATOM 904 CG GLU A 57 4.881 11.557 0.405 1.00 0.00 C ATOM 905 CD GLU A 57 4.934 12.858 -0.367 1.00 0.00 C ATOM 906 OE1 GLU A 57 4.539 13.901 0.192 1.00 0.00 O ATOM 907 OE2 GLU A 57 5.366 12.845 -1.538 1.00 0.00 O ATOM 0 H GLU A 57 1.058 10.586 0.121 1.00 0.00 H new ATOM 0 HA GLU A 57 3.101 11.497 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.827 11.703 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.488 10.083 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.252 11.721 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.545 10.831 -0.064 1.00 0.00 H new ATOM 914 N VAL A 58 3.000 8.245 -1.041 1.00 0.00 N ATOM 915 CA VAL A 58 3.398 6.954 -1.602 1.00 0.00 C ATOM 916 C VAL A 58 3.103 6.890 -3.102 1.00 0.00 C ATOM 917 O VAL A 58 3.987 6.620 -3.923 1.00 0.00 O ATOM 918 CB VAL A 58 2.655 5.796 -0.902 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.870 4.491 -1.648 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.105 5.663 0.541 1.00 0.00 C ATOM 0 H VAL A 58 2.297 8.182 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 58 4.471 6.851 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 58 1.589 6.024 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.338 3.688 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.492 4.587 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.935 4.259 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.569 4.841 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.176 5.463 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.894 6.590 1.075 1.00 0.00 H new ATOM 930 N ILE A 59 1.850 7.140 -3.446 1.00 0.00 N ATOM 931 CA ILE A 59 1.402 7.075 -4.832 1.00 0.00 C ATOM 932 C ILE A 59 2.205 8.031 -5.709 1.00 0.00 C ATOM 933 O ILE A 59 2.710 7.654 -6.767 1.00 0.00 O ATOM 934 CB ILE A 59 -0.094 7.424 -4.937 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.937 6.471 -4.086 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.557 7.413 -6.386 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.764 5.014 -4.449 1.00 0.00 C ATOM 0 H ILE A 59 1.119 7.392 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 59 1.559 6.055 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.231 8.434 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.675 6.608 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.988 6.739 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.617 7.663 -6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.013 8.147 -6.956 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.399 6.422 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.393 4.401 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.054 4.861 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.279 4.728 -4.317 1.00 0.00 H new ATOM 949 N ARG A 60 2.337 9.263 -5.238 1.00 0.00 N ATOM 950 CA ARG A 60 3.046 10.301 -5.966 1.00 0.00 C ATOM 951 C ARG A 60 4.535 9.989 -6.027 1.00 0.00 C ATOM 952 O ARG A 60 5.218 10.378 -6.965 1.00 0.00 O ATOM 953 CB ARG A 60 2.821 11.655 -5.300 1.00 0.00 C ATOM 954 CG ARG A 60 3.259 12.833 -6.148 1.00 0.00 C ATOM 955 CD ARG A 60 3.140 14.132 -5.378 1.00 0.00 C ATOM 956 NE ARG A 60 4.043 14.163 -4.229 1.00 0.00 N ATOM 957 CZ ARG A 60 5.061 15.011 -4.111 1.00 0.00 C ATOM 958 NH1 ARG A 60 5.298 15.902 -5.067 1.00 0.00 N ATOM 959 NH2 ARG A 60 5.840 14.961 -3.042 1.00 0.00 N ATOM 0 H ARG A 60 1.956 9.569 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 60 2.658 10.337 -6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.762 11.762 -5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.362 11.679 -4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.291 12.690 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.648 12.883 -7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.364 14.969 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.113 14.260 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 60 3.883 13.496 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.699 15.936 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.079 16.552 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.659 14.273 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.621 15.610 -2.949 1.00 0.00 H new ATOM 973 N ARG A 61 5.028 9.284 -5.014 1.00 0.00 N ATOM 974 CA ARG A 61 6.404 8.802 -5.003 1.00 0.00 C ATOM 975 C ARG A 61 6.688 8.016 -6.277 1.00 0.00 C ATOM 976 O ARG A 61 7.716 8.212 -6.921 1.00 0.00 O ATOM 977 CB ARG A 61 6.637 7.931 -3.762 1.00 0.00 C ATOM 978 CG ARG A 61 7.851 7.019 -3.833 1.00 0.00 C ATOM 979 CD ARG A 61 9.160 7.785 -3.786 1.00 0.00 C ATOM 980 NE ARG A 61 10.296 6.868 -3.750 1.00 0.00 N ATOM 981 CZ ARG A 61 11.411 7.075 -3.054 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.605 8.228 -2.428 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.346 6.131 -3.007 1.00 0.00 N ATOM 0 H ARG A 61 4.490 9.033 -4.185 1.00 0.00 H new ATOM 0 HA ARG A 61 7.087 9.651 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.742 8.582 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.751 7.318 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.818 6.312 -3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.809 6.435 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.238 8.434 -4.658 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.179 8.429 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 61 10.230 6.009 -4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.898 8.961 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.461 8.382 -1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.208 5.251 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.202 6.287 -2.474 1.00 0.00 H new ATOM 997 N PHE A 62 5.764 7.138 -6.643 1.00 0.00 N ATOM 998 CA PHE A 62 5.896 6.378 -7.882 1.00 0.00 C ATOM 999 C PHE A 62 5.741 7.278 -9.108 1.00 0.00 C ATOM 1000 O PHE A 62 6.376 7.046 -10.140 1.00 0.00 O ATOM 1001 CB PHE A 62 4.880 5.241 -7.938 1.00 0.00 C ATOM 1002 CG PHE A 62 5.156 4.140 -6.956 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.149 3.206 -7.206 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.422 4.034 -5.788 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.403 2.188 -6.309 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.672 3.019 -4.888 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.664 2.094 -5.149 1.00 0.00 C ATOM 0 H PHE A 62 4.921 6.934 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 62 6.899 5.952 -7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.885 5.644 -7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.869 4.824 -8.945 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.731 3.275 -8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.645 4.754 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.179 1.466 -6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.092 2.948 -3.980 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.860 1.298 -4.446 1.00 0.00 H new ATOM 1017 N GLU A 63 4.907 8.307 -8.992 1.00 0.00 N ATOM 1018 CA GLU A 63 4.695 9.252 -10.087 1.00 0.00 C ATOM 1019 C GLU A 63 5.942 10.096 -10.328 1.00 0.00 C ATOM 1020 O GLU A 63 6.297 10.372 -11.471 1.00 0.00 O ATOM 1021 CB GLU A 63 3.490 10.148 -9.808 1.00 0.00 C ATOM 1022 CG GLU A 63 2.170 9.400 -9.836 1.00 0.00 C ATOM 1023 CD GLU A 63 0.976 10.321 -9.706 1.00 0.00 C ATOM 1024 OE1 GLU A 63 0.634 11.004 -10.694 1.00 0.00 O ATOM 1025 OE2 GLU A 63 0.367 10.371 -8.618 1.00 0.00 O ATOM 0 H GLU A 63 4.366 8.509 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 63 4.492 8.676 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.613 10.618 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.462 10.949 -10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.093 8.841 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.152 8.672 -9.025 1.00 0.00 H new ATOM 1032 N ASP A 64 6.606 10.491 -9.243 1.00 0.00 N ATOM 1033 CA ASP A 64 7.886 11.196 -9.333 1.00 0.00 C ATOM 1034 C ASP A 64 8.914 10.343 -10.060 1.00 0.00 C ATOM 1035 O ASP A 64 9.803 10.861 -10.735 1.00 0.00 O ATOM 1036 CB ASP A 64 8.420 11.557 -7.943 1.00 0.00 C ATOM 1037 CG ASP A 64 7.874 12.867 -7.414 1.00 0.00 C ATOM 1038 OD1 ASP A 64 8.463 13.929 -7.723 1.00 0.00 O ATOM 1039 OD2 ASP A 64 6.879 12.845 -6.662 1.00 0.00 O ATOM 0 H ASP A 64 6.279 10.335 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 64 7.715 12.116 -9.892 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.168 10.758 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.508 11.614 -7.983 1.00 0.00 H new ATOM 1044 N ARG A 65 8.782 9.029 -9.912 1.00 0.00 N ATOM 1045 CA ARG A 65 9.670 8.087 -10.578 1.00 0.00 C ATOM 1046 C ARG A 65 9.311 7.973 -12.055 1.00 0.00 C ATOM 1047 O ARG A 65 10.153 7.627 -12.882 1.00 0.00 O ATOM 1048 CB ARG A 65 9.573 6.699 -9.934 1.00 0.00 C ATOM 1049 CG ARG A 65 9.794 6.687 -8.430 1.00 0.00 C ATOM 1050 CD ARG A 65 11.215 7.069 -8.058 1.00 0.00 C ATOM 1051 NE ARG A 65 12.191 6.109 -8.570 1.00 0.00 N ATOM 1052 CZ ARG A 65 12.777 5.172 -7.823 1.00 0.00 C ATOM 1053 NH1 ARG A 65 12.418 5.009 -6.554 1.00 0.00 N ATOM 1054 NH2 ARG A 65 13.703 4.385 -8.352 1.00 0.00 N ATOM 0 H ARG A 65 8.064 8.592 -9.333 1.00 0.00 H new ATOM 0 HA ARG A 65 10.689 8.460 -10.475 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.589 6.281 -10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.307 6.043 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.097 7.379 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.572 5.694 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.439 8.060 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.302 7.131 -6.973 1.00 0.00 H new ATOM 0 HE ARG A 65 12.439 6.159 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.693 5.601 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.868 4.292 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.968 4.496 -9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.151 3.669 -7.780 1.00 0.00 H new ATOM 1068 N GLY A 66 8.054 8.259 -12.378 1.00 0.00 N ATOM 1069 CA GLY A 66 7.574 8.071 -13.730 1.00 0.00 C ATOM 1070 C GLY A 66 6.993 6.689 -13.911 1.00 0.00 C ATOM 1071 O GLY A 66 6.667 6.275 -15.023 1.00 0.00 O ATOM 0 H GLY A 66 7.359 8.619 -11.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.816 8.821 -13.958 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.392 8.220 -14.434 1.00 0.00 H new ATOM 1075 N ALA A 67 6.864 5.975 -12.803 1.00 0.00 N ATOM 1076 CA ALA A 67 6.337 4.626 -12.819 1.00 0.00 C ATOM 1077 C ALA A 67 4.827 4.648 -12.643 1.00 0.00 C ATOM 1078 O ALA A 67 4.315 4.482 -11.534 1.00 0.00 O ATOM 1079 CB ALA A 67 6.999 3.788 -11.735 1.00 0.00 C ATOM 0 H ALA A 67 7.121 6.314 -11.876 1.00 0.00 H new ATOM 0 HA ALA A 67 6.560 4.172 -13.784 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.593 2.777 -11.758 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.074 3.752 -11.909 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.804 4.235 -10.760 1.00 0.00 H new ATOM 1085 N MET A 68 4.119 4.869 -13.742 1.00 0.00 N ATOM 1086 CA MET A 68 2.675 5.042 -13.698 1.00 0.00 C ATOM 1087 C MET A 68 1.985 3.730 -13.352 1.00 0.00 C ATOM 1088 O MET A 68 0.945 3.720 -12.688 1.00 0.00 O ATOM 1089 CB MET A 68 2.142 5.577 -15.030 1.00 0.00 C ATOM 1090 CG MET A 68 2.973 6.705 -15.633 1.00 0.00 C ATOM 1091 SD MET A 68 3.502 7.941 -14.426 1.00 0.00 S ATOM 1092 CE MET A 68 1.936 8.472 -13.734 1.00 0.00 C ATOM 0 H MET A 68 4.523 4.933 -14.676 1.00 0.00 H new ATOM 0 HA MET A 68 2.454 5.772 -12.920 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.094 4.755 -15.745 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.122 5.932 -14.883 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.854 6.279 -16.114 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.391 7.197 -16.412 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.984 9.535 -13.499 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.140 8.296 -14.457 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.731 7.908 -12.824 1.00 0.00 H new ATOM 1102 N GLU A 69 2.574 2.623 -13.796 1.00 0.00 N ATOM 1103 CA GLU A 69 2.048 1.301 -13.484 1.00 0.00 C ATOM 1104 C GLU A 69 2.110 1.063 -11.985 1.00 0.00 C ATOM 1105 O GLU A 69 1.131 0.654 -11.364 1.00 0.00 O ATOM 1106 CB GLU A 69 2.855 0.212 -14.191 1.00 0.00 C ATOM 1107 CG GLU A 69 2.759 0.231 -15.707 1.00 0.00 C ATOM 1108 CD GLU A 69 3.698 -0.776 -16.341 1.00 0.00 C ATOM 1109 OE1 GLU A 69 3.393 -1.987 -16.311 1.00 0.00 O ATOM 1110 OE2 GLU A 69 4.767 -0.366 -16.837 1.00 0.00 O ATOM 0 H GLU A 69 3.415 2.617 -14.373 1.00 0.00 H new ATOM 0 HA GLU A 69 1.015 1.258 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.902 0.313 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.519 -0.761 -13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.735 0.014 -16.009 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.995 1.230 -16.074 1.00 0.00 H new ATOM 1117 N ARG A 70 3.269 1.349 -11.411 1.00 0.00 N ATOM 1118 CA ARG A 70 3.522 1.082 -10.002 1.00 0.00 C ATOM 1119 C ARG A 70 2.721 2.033 -9.121 1.00 0.00 C ATOM 1120 O ARG A 70 2.298 1.662 -8.029 1.00 0.00 O ATOM 1121 CB ARG A 70 5.020 1.196 -9.711 1.00 0.00 C ATOM 1122 CG ARG A 70 5.871 0.383 -10.673 1.00 0.00 C ATOM 1123 CD ARG A 70 7.357 0.496 -10.370 1.00 0.00 C ATOM 1124 NE ARG A 70 8.155 -0.054 -11.463 1.00 0.00 N ATOM 1125 CZ ARG A 70 9.025 -1.056 -11.332 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.334 -1.531 -10.129 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.618 -1.553 -12.407 1.00 0.00 N ATOM 0 H ARG A 70 4.056 1.770 -11.904 1.00 0.00 H new ATOM 0 HA ARG A 70 3.200 0.066 -9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.317 2.243 -9.766 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.214 0.863 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.571 -0.664 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.684 0.720 -11.693 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.621 1.541 -10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.585 -0.034 -9.445 1.00 0.00 H new ATOM 0 HE ARG A 70 8.039 0.356 -12.390 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.904 -1.129 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.001 -2.298 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.408 -1.169 -13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.284 -2.319 -12.313 1.00 0.00 H new ATOM 1141 N ALA A 71 2.504 3.252 -9.607 1.00 0.00 N ATOM 1142 CA ALA A 71 1.685 4.223 -8.892 1.00 0.00 C ATOM 1143 C ALA A 71 0.256 3.711 -8.742 1.00 0.00 C ATOM 1144 O ALA A 71 -0.340 3.794 -7.667 1.00 0.00 O ATOM 1145 CB ALA A 71 1.693 5.562 -9.615 1.00 0.00 C ATOM 0 H ALA A 71 2.884 3.589 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 71 2.109 4.363 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.077 6.275 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.715 5.937 -9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.293 5.435 -10.621 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.284 3.169 -9.825 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.631 2.607 -9.808 1.00 0.00 C ATOM 1153 C ASN A 72 -1.659 1.293 -9.036 1.00 0.00 C ATOM 1154 O ASN A 72 -2.609 1.018 -8.301 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.153 2.394 -11.232 1.00 0.00 C ATOM 1156 CG ASN A 72 -2.673 3.672 -11.863 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -3.857 3.994 -11.749 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -1.802 4.406 -12.536 1.00 0.00 N ATOM 0 H ASN A 72 0.188 3.106 -10.727 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.284 3.320 -9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.353 1.988 -11.851 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.951 1.652 -11.215 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.103 5.272 -12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.830 4.106 -12.608 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.611 0.487 -9.202 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.492 -0.774 -8.474 1.00 0.00 C ATOM 1167 C LYS A 73 -0.470 -0.530 -6.971 1.00 0.00 C ATOM 1168 O LYS A 73 -1.092 -1.274 -6.205 1.00 0.00 O ATOM 1169 CB LYS A 73 0.766 -1.540 -8.899 1.00 0.00 C ATOM 1170 CG LYS A 73 0.627 -2.262 -10.231 1.00 0.00 C ATOM 1171 CD LYS A 73 1.910 -2.989 -10.611 1.00 0.00 C ATOM 1172 CE LYS A 73 1.713 -3.846 -11.852 1.00 0.00 C ATOM 1173 NZ LYS A 73 2.975 -4.503 -12.285 1.00 0.00 N ATOM 0 H LYS A 73 0.166 0.685 -9.833 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.364 -1.380 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.601 -0.842 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.015 -2.268 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.194 -2.977 -10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.371 -1.544 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.703 -2.263 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.234 -3.617 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.959 -4.607 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.331 -3.226 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.794 -5.077 -13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.687 -3.777 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.327 -5.115 -11.522 1.00 0.00 H new ATOM 1187 N ALA A 74 0.242 0.515 -6.556 1.00 0.00 N ATOM 1188 CA ALA A 74 0.287 0.901 -5.155 1.00 0.00 C ATOM 1189 C ALA A 74 -1.117 1.186 -4.646 1.00 0.00 C ATOM 1190 O ALA A 74 -1.547 0.619 -3.648 1.00 0.00 O ATOM 1191 CB ALA A 74 1.184 2.120 -4.955 1.00 0.00 C ATOM 0 H ALA A 74 0.795 1.108 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 74 0.708 0.074 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.201 2.390 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.196 1.886 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.796 2.956 -5.537 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.834 2.036 -5.373 1.00 0.00 N ATOM 1198 CA ARG A 75 -3.185 2.437 -4.993 1.00 0.00 C ATOM 1199 C ARG A 75 -4.092 1.221 -4.833 1.00 0.00 C ATOM 1200 O ARG A 75 -4.781 1.077 -3.823 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.770 3.373 -6.052 1.00 0.00 C ATOM 1202 CG ARG A 75 -5.090 4.009 -5.646 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.746 4.717 -6.819 1.00 0.00 C ATOM 1204 NE ARG A 75 -4.835 5.652 -7.482 1.00 0.00 N ATOM 1205 CZ ARG A 75 -4.726 5.765 -8.806 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -5.479 5.011 -9.601 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -3.876 6.640 -9.335 1.00 0.00 N ATOM 0 H ARG A 75 -1.499 2.464 -6.236 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.127 2.956 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.048 4.161 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.915 2.815 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.762 3.242 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.920 4.721 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.092 3.977 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.626 5.257 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.251 6.251 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.140 4.347 -9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.396 5.097 -10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.305 7.227 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.795 6.724 -10.348 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.072 0.348 -5.836 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.940 -0.823 -5.854 1.00 0.00 C ATOM 1223 C ARG A 76 -4.666 -1.746 -4.669 1.00 0.00 C ATOM 1224 O ARG A 76 -5.581 -2.109 -3.928 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.766 -1.608 -7.157 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.190 -0.853 -8.408 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.016 -1.717 -9.648 1.00 0.00 C ATOM 1228 NE ARG A 76 -5.378 -1.013 -10.879 1.00 0.00 N ATOM 1229 CZ ARG A 76 -5.784 -1.622 -11.995 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -5.917 -2.945 -12.023 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -6.060 -0.907 -13.079 1.00 0.00 N ATOM 0 H ARG A 76 -3.462 0.431 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.965 -0.461 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.719 -1.894 -7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.343 -2.530 -7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.232 -0.546 -8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.597 0.056 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.979 -2.047 -9.714 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.630 -2.612 -9.552 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.316 0.005 -10.884 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.709 -3.496 -11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.227 -3.408 -12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.962 0.108 -13.059 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.370 -1.373 -13.932 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.405 -2.113 -4.480 1.00 0.00 N ATOM 1246 CA ARG A 77 -3.072 -3.129 -3.494 1.00 0.00 C ATOM 1247 C ARG A 77 -2.939 -2.563 -2.085 1.00 0.00 C ATOM 1248 O ARG A 77 -3.059 -3.307 -1.117 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.830 -3.917 -3.917 1.00 0.00 C ATOM 1250 CG ARG A 77 -2.167 -4.977 -4.958 1.00 0.00 C ATOM 1251 CD ARG A 77 -0.990 -5.875 -5.306 1.00 0.00 C ATOM 1252 NE ARG A 77 -1.440 -7.088 -5.997 1.00 0.00 N ATOM 1253 CZ ARG A 77 -0.812 -7.661 -7.026 1.00 0.00 C ATOM 1254 NH1 ARG A 77 0.288 -7.117 -7.532 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -1.298 -8.779 -7.551 1.00 0.00 N ATOM 0 H ARG A 77 -2.608 -1.729 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.911 -3.824 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.084 -3.233 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.385 -4.393 -3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.987 -5.592 -4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.521 -4.486 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.288 -5.331 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.455 -6.148 -4.396 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.299 -7.527 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.660 -6.254 -7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.762 -7.562 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.147 -9.195 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.823 -9.222 -8.337 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.722 -1.259 -1.951 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.800 -0.638 -0.633 1.00 0.00 C ATOM 1271 C CYS A 78 -4.238 -0.697 -0.140 1.00 0.00 C ATOM 1272 O CYS A 78 -4.499 -1.062 1.008 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.309 0.812 -0.650 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.536 0.988 -0.949 1.00 0.00 S ATOM 0 H CYS A 78 -2.496 -0.625 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.147 -1.190 0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.852 1.359 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.553 1.278 0.304 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.292 0.831 -2.216 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.172 -0.371 -1.032 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.579 -0.482 -0.714 1.00 0.00 C ATOM 1282 C GLY A 79 -6.973 -1.903 -0.359 1.00 0.00 C ATOM 1283 O GLY A 79 -7.853 -2.119 0.476 1.00 0.00 O ATOM 0 H GLY A 79 -4.973 -0.031 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.815 0.178 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.170 -0.144 -1.565 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.313 -2.874 -0.987 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.563 -4.274 -0.681 1.00 0.00 C ATOM 1289 C GLU A 80 -6.058 -4.612 0.720 1.00 0.00 C ATOM 1290 O GLU A 80 -6.721 -5.334 1.460 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.912 -5.199 -1.712 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.361 -6.647 -1.569 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.644 -7.593 -2.507 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.849 -7.495 -3.732 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.895 -8.461 -2.016 1.00 0.00 O ATOM 0 H GLU A 80 -5.607 -2.715 -1.705 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.641 -4.433 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.153 -4.846 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.828 -5.147 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.196 -6.971 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.434 -6.707 -1.754 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.888 -4.084 1.080 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.341 -4.271 2.423 1.00 0.00 C ATOM 1304 C VAL A 81 -5.295 -3.691 3.465 1.00 0.00 C ATOM 1305 O VAL A 81 -5.594 -4.330 4.475 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.950 -3.612 2.581 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.442 -3.758 4.008 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.952 -4.215 1.604 1.00 0.00 C ATOM 0 H VAL A 81 -4.302 -3.524 0.461 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.226 -5.344 2.577 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.055 -2.550 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.463 -3.287 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.139 -3.276 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.360 -4.816 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.981 -3.736 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.857 -5.284 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.301 -4.057 0.584 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.783 -2.481 3.202 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.759 -1.843 4.076 1.00 0.00 C ATOM 1320 C PHE A 82 -8.006 -2.712 4.220 1.00 0.00 C ATOM 1321 O PHE A 82 -8.513 -2.911 5.323 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.154 -0.464 3.540 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.095 0.591 3.702 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.688 0.991 4.962 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.514 1.187 2.595 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.718 1.963 5.118 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.545 2.160 2.743 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.146 2.549 4.007 1.00 0.00 C ATOM 0 H PHE A 82 -5.517 -1.924 2.390 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.296 -1.721 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.400 -0.555 2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.059 -0.135 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.134 0.538 5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.822 0.887 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.408 2.264 6.108 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.100 2.616 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.389 3.310 4.126 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.486 -3.236 3.098 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.676 -4.079 3.094 1.00 0.00 C ATOM 1340 C ARG A 83 -9.397 -5.406 3.794 1.00 0.00 C ATOM 1341 O ARG A 83 -10.240 -5.917 4.533 1.00 0.00 O ATOM 1342 CB ARG A 83 -10.149 -4.312 1.661 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.459 -5.073 1.564 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.985 -5.087 0.140 1.00 0.00 C ATOM 1345 NE ARG A 83 -12.191 -3.733 -0.373 1.00 0.00 N ATOM 1346 CZ ARG A 83 -13.215 -3.375 -1.149 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -14.142 -4.260 -1.488 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -13.320 -2.125 -1.573 1.00 0.00 N ATOM 0 H ARG A 83 -8.069 -3.092 2.178 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.468 -3.569 3.642 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.262 -3.348 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.379 -4.862 1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.314 -6.096 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.197 -4.615 2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.282 -5.617 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.926 -5.637 0.105 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.509 -3.018 -0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.075 -5.222 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.922 -3.979 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.618 -1.435 -1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.103 -1.852 -2.166 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.207 -5.952 3.561 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.769 -7.167 4.236 1.00 0.00 C ATOM 1364 C TYR A 84 -7.831 -6.973 5.739 1.00 0.00 C ATOM 1365 O TYR A 84 -8.315 -7.836 6.468 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.337 -7.530 3.814 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.736 -8.698 4.575 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.882 -10.001 4.116 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.011 -8.495 5.748 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -5.329 -11.067 4.804 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -4.455 -9.552 6.436 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.615 -10.835 5.962 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.068 -11.888 6.658 1.00 0.00 O ATOM 0 H TYR A 84 -7.526 -5.569 2.906 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.433 -7.983 3.951 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.333 -7.765 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.699 -6.657 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.436 -10.185 3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.883 -7.491 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.456 -12.075 4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.896 -9.375 7.343 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.922 -11.623 7.590 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.346 -5.826 6.192 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.351 -5.494 7.604 1.00 0.00 C ATOM 1385 C ALA A 85 -8.774 -5.401 8.141 1.00 0.00 C ATOM 1386 O ALA A 85 -9.045 -5.829 9.254 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.600 -4.197 7.847 1.00 0.00 C ATOM 0 H ALA A 85 -6.941 -5.106 5.594 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.843 -6.294 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.613 -3.963 8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.568 -4.306 7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.078 -3.390 7.292 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.684 -4.853 7.351 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.083 -4.768 7.760 1.00 0.00 C ATOM 1395 C ILE A 86 -11.670 -6.169 7.959 1.00 0.00 C ATOM 1396 O ILE A 86 -12.348 -6.438 8.955 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.927 -3.981 6.728 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.389 -2.552 6.592 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.394 -3.963 7.135 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.100 -1.724 5.540 1.00 0.00 C ATOM 0 H ILE A 86 -9.485 -4.463 6.430 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.118 -4.230 8.707 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.850 -4.479 5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.475 -2.049 7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.327 -2.596 6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.970 -3.405 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.769 -4.985 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.495 -3.486 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.662 -0.727 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.992 -2.202 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.158 -1.647 5.791 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.372 -7.066 7.024 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.854 -8.444 7.089 1.00 0.00 C ATOM 1414 C VAL A 87 -11.188 -9.212 8.236 1.00 0.00 C ATOM 1415 O VAL A 87 -11.800 -10.084 8.854 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.603 -9.187 5.756 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.136 -10.612 5.806 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -12.231 -8.428 4.599 1.00 0.00 C ATOM 0 H VAL A 87 -10.796 -6.863 6.207 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.928 -8.399 7.272 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.525 -9.238 5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.943 -11.106 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.637 -11.159 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.209 -10.593 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.045 -8.964 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.306 -8.343 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.793 -7.432 4.537 1.00 0.00 H new ATOM 1428 N THR A 88 -9.937 -8.880 8.524 1.00 0.00 N ATOM 1429 CA THR A 88 -9.197 -9.545 9.590 1.00 0.00 C ATOM 1430 C THR A 88 -9.447 -8.875 10.939 1.00 0.00 C ATOM 1431 O THR A 88 -8.871 -9.259 11.956 1.00 0.00 O ATOM 1432 CB THR A 88 -7.684 -9.572 9.283 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.241 -8.280 8.852 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.373 -10.604 8.211 1.00 0.00 C ATOM 0 H THR A 88 -9.413 -8.154 8.035 1.00 0.00 H new ATOM 0 HA THR A 88 -9.558 -10.572 9.644 1.00 0.00 H new ATOM 0 HB THR A 88 -7.156 -9.845 10.197 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.308 -8.220 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.302 -10.607 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.680 -11.591 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.914 -10.354 7.298 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.321 -7.872 10.938 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.669 -7.180 12.163 1.00 0.00 C ATOM 1444 C GLY A 89 -9.520 -6.365 12.715 1.00 0.00 C ATOM 1445 O GLY A 89 -9.384 -6.202 13.928 1.00 0.00 O ATOM 0 H GLY A 89 -10.796 -7.526 10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.519 -6.524 11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.986 -7.908 12.910 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.689 -5.861 11.820 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.538 -5.058 12.196 1.00 0.00 C ATOM 1451 C ARG A 90 -7.791 -3.578 11.917 1.00 0.00 C ATOM 1452 O ARG A 90 -7.178 -2.707 12.533 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.293 -5.513 11.429 1.00 0.00 C ATOM 1454 CG ARG A 90 -5.855 -6.942 11.720 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.550 -7.252 11.002 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.033 -8.587 11.291 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.267 -8.882 12.344 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.003 -7.963 13.266 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -2.754 -10.094 12.465 1.00 0.00 N ATOM 0 H ARG A 90 -8.792 -5.996 10.814 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.374 -5.193 13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.485 -5.417 10.360 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.470 -4.839 11.667 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.728 -7.079 12.794 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.629 -7.639 11.399 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.703 -7.154 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.802 -6.511 11.286 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.272 -9.342 10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.387 -7.022 13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.417 -8.198 14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.944 -10.801 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.168 -10.322 13.268 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.696 -3.292 10.991 1.00 0.00 N ATOM 1474 CA ALA A 91 -8.985 -1.914 10.616 1.00 0.00 C ATOM 1475 C ALA A 91 -10.483 -1.664 10.569 1.00 0.00 C ATOM 1476 O ALA A 91 -11.273 -2.589 10.386 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.350 -1.574 9.276 1.00 0.00 C ATOM 0 H ALA A 91 -9.241 -3.992 10.487 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.554 -1.265 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.579 -0.540 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.269 -1.700 9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.746 -2.237 8.507 1.00 0.00 H new ATOM 1483 N LYS A 92 -10.859 -0.405 10.737 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.262 -0.010 10.732 1.00 0.00 C ATOM 1485 C LYS A 92 -12.572 0.783 9.467 1.00 0.00 C ATOM 1486 O LYS A 92 -13.345 0.348 8.612 1.00 0.00 O ATOM 1487 CB LYS A 92 -12.570 0.851 11.960 1.00 0.00 C ATOM 1488 CG LYS A 92 -12.109 0.239 13.272 1.00 0.00 C ATOM 1489 CD LYS A 92 -12.220 1.238 14.412 1.00 0.00 C ATOM 1490 CE LYS A 92 -11.602 0.701 15.692 1.00 0.00 C ATOM 1491 NZ LYS A 92 -11.607 1.719 16.775 1.00 0.00 N ATOM 0 H LYS A 92 -10.207 0.367 10.880 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.880 -0.908 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -12.095 1.824 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.645 1.025 12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.710 -0.642 13.497 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.076 -0.096 13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -11.725 2.167 14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.269 1.476 14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.152 -0.181 16.019 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.578 0.383 15.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.178 1.316 17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.061 2.551 16.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.586 2.004 16.979 1.00 0.00 H new ATOM 1505 N TYR A 93 -11.947 1.944 9.359 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.134 2.823 8.220 1.00 0.00 C ATOM 1507 C TYR A 93 -10.830 2.932 7.446 1.00 0.00 C ATOM 1508 O TYR A 93 -9.775 3.165 8.031 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.585 4.206 8.699 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.945 5.173 7.590 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -11.984 5.998 7.015 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -14.251 5.273 7.132 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -12.318 6.895 6.016 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -14.592 6.162 6.132 1.00 0.00 C ATOM 1515 CZ TYR A 93 -13.624 6.971 5.578 1.00 0.00 C ATOM 1516 OH TYR A 93 -13.971 7.873 4.597 1.00 0.00 O ATOM 0 H TYR A 93 -11.297 2.302 10.059 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.903 2.413 7.566 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.449 4.085 9.352 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.789 4.645 9.301 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.960 5.937 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.015 4.644 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.561 7.532 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.613 6.223 5.786 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.929 7.795 4.405 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.900 2.743 6.141 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.722 2.845 5.299 1.00 0.00 C ATOM 1528 C ASN A 94 -9.717 4.176 4.555 1.00 0.00 C ATOM 1529 O ASN A 94 -10.721 4.568 3.960 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.648 1.668 4.315 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.853 1.550 3.393 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -11.975 1.908 3.754 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.629 1.032 2.194 1.00 0.00 N ATOM 0 H ASN A 94 -11.760 2.518 5.641 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.839 2.803 5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.749 1.772 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.545 0.742 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.400 0.919 1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.686 0.747 1.930 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.582 4.894 4.586 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.448 6.217 3.965 1.00 0.00 C ATOM 1542 C PRO A 95 -8.365 6.160 2.439 1.00 0.00 C ATOM 1543 O PRO A 95 -7.768 7.033 1.810 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.132 6.769 4.537 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.703 5.805 5.593 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.341 4.489 5.254 1.00 0.00 C ATOM 0 HA PRO A 95 -9.320 6.834 4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.375 6.856 3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.276 7.766 4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.617 5.715 5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.017 6.146 6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.708 3.888 4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.537 3.893 6.145 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.984 5.150 1.847 1.00 0.00 N ATOM 1555 CA ALA A 96 -9.001 5.006 0.398 1.00 0.00 C ATOM 1556 C ALA A 96 -9.731 6.180 -0.274 1.00 0.00 C ATOM 1557 O ALA A 96 -9.208 6.762 -1.226 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.617 3.671 0.000 1.00 0.00 C ATOM 0 H ALA A 96 -9.483 4.415 2.349 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.970 5.022 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.621 3.582 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.031 2.858 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.640 3.617 0.372 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.944 6.559 0.201 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.646 7.742 -0.317 1.00 0.00 C ATOM 1566 C PRO A 97 -10.819 9.020 -0.167 1.00 0.00 C ATOM 1567 O PRO A 97 -10.808 9.876 -1.055 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.905 7.825 0.547 1.00 0.00 C ATOM 1569 CG PRO A 97 -13.117 6.441 1.047 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.747 5.864 1.230 1.00 0.00 C ATOM 0 HA PRO A 97 -11.851 7.653 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.774 8.527 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.760 8.171 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.670 6.444 1.987 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.698 5.853 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.363 6.050 2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.742 4.784 1.082 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.123 9.140 0.960 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.266 10.294 1.213 1.00 0.00 C ATOM 1580 C ASP A 98 -8.091 10.310 0.254 1.00 0.00 C ATOM 1581 O ASP A 98 -7.708 11.364 -0.248 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.758 10.299 2.656 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.747 10.923 3.615 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -9.839 12.167 3.651 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.444 10.173 4.326 1.00 0.00 O ATOM 0 H ASP A 98 -10.136 8.452 1.713 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.865 11.190 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.550 9.276 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.816 10.845 2.704 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.533 9.133 0.000 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.440 8.978 -0.952 1.00 0.00 C ATOM 1592 C LEU A 99 -6.839 9.555 -2.309 1.00 0.00 C ATOM 1593 O LEU A 99 -6.103 10.350 -2.895 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.067 7.486 -1.066 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.910 7.117 -2.013 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.380 7.026 -3.457 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.769 8.114 -1.889 1.00 0.00 C ATOM 0 H LEU A 99 -7.823 8.263 0.446 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.566 9.527 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.815 7.124 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.954 6.940 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.546 6.134 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.538 6.764 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.152 6.261 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.787 7.988 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.964 7.832 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.127 9.111 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.396 8.115 -0.865 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.015 9.168 -2.785 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.503 9.617 -4.080 1.00 0.00 C ATOM 1611 C ALA A 100 -8.733 11.124 -4.092 1.00 0.00 C ATOM 1612 O ALA A 100 -8.364 11.811 -5.048 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.788 8.882 -4.436 1.00 0.00 C ATOM 0 H ALA A 100 -8.650 8.542 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.743 9.390 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.146 9.224 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.594 7.810 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.545 9.084 -3.678 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.318 11.639 -3.017 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.678 13.051 -2.953 1.00 0.00 C ATOM 1621 C ASP A 101 -8.439 13.929 -2.831 1.00 0.00 C ATOM 1622 O ASP A 101 -8.305 14.934 -3.533 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.621 13.322 -1.782 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.302 14.669 -1.903 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -10.725 15.679 -1.460 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -12.425 14.723 -2.455 1.00 0.00 O ATOM 0 H ASP A 101 -9.552 11.103 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.191 13.299 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.376 12.537 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.060 13.282 -0.848 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.530 13.534 -1.949 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.296 14.280 -1.732 1.00 0.00 C ATOM 1633 C ALA A 102 -5.444 14.287 -2.993 1.00 0.00 C ATOM 1634 O ALA A 102 -4.821 15.292 -3.325 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.509 13.699 -0.568 1.00 0.00 C ATOM 0 H ALA A 102 -7.624 12.699 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.563 15.308 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.593 14.272 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.112 13.747 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.257 12.660 -0.781 1.00 0.00 H new ATOM 1641 N MET A 103 -5.432 13.160 -3.694 1.00 0.00 N ATOM 1642 CA MET A 103 -4.700 13.042 -4.949 1.00 0.00 C ATOM 1643 C MET A 103 -5.196 14.075 -5.953 1.00 0.00 C ATOM 1644 O MET A 103 -4.409 14.726 -6.639 1.00 0.00 O ATOM 1645 CB MET A 103 -4.865 11.637 -5.528 1.00 0.00 C ATOM 1646 CG MET A 103 -4.099 11.423 -6.822 1.00 0.00 C ATOM 1647 SD MET A 103 -4.404 9.808 -7.564 1.00 0.00 S ATOM 1648 CE MET A 103 -3.842 8.726 -6.254 1.00 0.00 C ATOM 0 H MET A 103 -5.923 12.311 -3.413 1.00 0.00 H new ATOM 0 HA MET A 103 -3.644 13.223 -4.749 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.530 10.907 -4.791 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.924 11.447 -5.706 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.375 12.201 -7.534 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.032 11.532 -6.628 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.747 7.710 -6.637 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.873 9.068 -5.890 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.563 8.740 -5.436 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.511 14.221 -6.021 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.141 15.155 -6.942 1.00 0.00 C ATOM 1660 C LYS A 104 -6.871 16.597 -6.521 1.00 0.00 C ATOM 1661 O LYS A 104 -6.563 17.451 -7.353 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.648 14.894 -6.994 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.378 15.682 -8.066 1.00 0.00 C ATOM 1664 CD LYS A 104 -8.924 15.279 -9.460 1.00 0.00 C ATOM 1665 CE LYS A 104 -9.827 15.869 -10.530 1.00 0.00 C ATOM 1666 NZ LYS A 104 -11.232 15.405 -10.382 1.00 0.00 N ATOM 0 H LYS A 104 -7.168 13.698 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.716 15.005 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.816 13.830 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.081 15.135 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.452 15.520 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.202 16.748 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.899 15.614 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.921 14.192 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.795 16.957 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.454 15.590 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.732 15.519 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.239 14.402 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.708 15.969 -9.649 1.00 0.00 H new ATOM 1680 N GLY A 105 -6.972 16.849 -5.223 1.00 0.00 N ATOM 1681 CA GLY A 105 -6.818 18.195 -4.705 1.00 0.00 C ATOM 1682 C GLY A 105 -5.383 18.684 -4.734 1.00 0.00 C ATOM 1683 O GLY A 105 -5.125 19.849 -5.043 1.00 0.00 O ATOM 0 H GLY A 105 -7.159 16.140 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.439 18.875 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.186 18.227 -3.679 1.00 0.00 H new ATOM 1687 N TYR A 106 -4.450 17.793 -4.423 1.00 0.00 N ATOM 1688 CA TYR A 106 -3.036 18.142 -4.346 1.00 0.00 C ATOM 1689 C TYR A 106 -2.522 18.726 -5.659 1.00 0.00 C ATOM 1690 O TYR A 106 -1.763 19.698 -5.664 1.00 0.00 O ATOM 1691 CB TYR A 106 -2.202 16.913 -3.968 1.00 0.00 C ATOM 1692 CG TYR A 106 -0.717 17.189 -3.911 1.00 0.00 C ATOM 1693 CD1 TYR A 106 -0.141 17.746 -2.780 1.00 0.00 C ATOM 1694 CD2 TYR A 106 0.106 16.904 -4.995 1.00 0.00 C ATOM 1695 CE1 TYR A 106 1.212 18.016 -2.729 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.460 17.169 -4.950 1.00 0.00 C ATOM 1697 CZ TYR A 106 2.008 17.725 -3.815 1.00 0.00 C ATOM 1698 OH TYR A 106 3.357 17.996 -3.771 1.00 0.00 O ATOM 0 H TYR A 106 -4.650 16.814 -4.218 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.933 18.905 -3.574 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.533 16.543 -2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.389 16.120 -4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.761 17.972 -1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.321 16.468 -5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.645 18.454 -1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.086 16.942 -5.800 1.00 0.00 H new ATOM 0 HH TYR A 106 3.675 17.926 -2.847 1.00 0.00 H new ATOM 1708 N ARG A 107 -2.953 18.143 -6.772 1.00 0.00 N ATOM 1709 CA ARG A 107 -2.429 18.519 -8.083 1.00 0.00 C ATOM 1710 C ARG A 107 -2.848 19.935 -8.474 1.00 0.00 C ATOM 1711 O ARG A 107 -2.286 20.514 -9.402 1.00 0.00 O ATOM 1712 CB ARG A 107 -2.887 17.529 -9.157 1.00 0.00 C ATOM 1713 CG ARG A 107 -2.553 16.083 -8.840 1.00 0.00 C ATOM 1714 CD ARG A 107 -2.817 15.173 -10.030 1.00 0.00 C ATOM 1715 NE ARG A 107 -2.848 13.766 -9.639 1.00 0.00 N ATOM 1716 CZ ARG A 107 -1.811 12.932 -9.730 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -0.662 13.337 -10.252 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -1.930 11.681 -9.310 1.00 0.00 N ATOM 0 H ARG A 107 -3.662 17.410 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.342 18.492 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.965 17.623 -9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.426 17.799 -10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -1.506 16.007 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -3.146 15.750 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -3.767 15.443 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.043 15.324 -10.782 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.724 13.395 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.564 14.295 -10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.125 12.691 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.814 11.357 -8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.138 11.042 -9.379 1.00 0.00 H new ATOM 1732 N LYS A 108 -3.818 20.498 -7.759 1.00 0.00 N ATOM 1733 CA LYS A 108 -4.311 21.833 -8.076 1.00 0.00 C ATOM 1734 C LYS A 108 -3.330 22.903 -7.610 1.00 0.00 C ATOM 1735 O LYS A 108 -3.396 24.050 -8.045 1.00 0.00 O ATOM 1736 CB LYS A 108 -5.673 22.082 -7.431 1.00 0.00 C ATOM 1737 CG LYS A 108 -6.726 21.044 -7.775 1.00 0.00 C ATOM 1738 CD LYS A 108 -8.096 21.405 -7.204 1.00 0.00 C ATOM 1739 CE LYS A 108 -8.101 21.477 -5.679 1.00 0.00 C ATOM 1740 NZ LYS A 108 -7.488 22.730 -5.157 1.00 0.00 N ATOM 0 H LYS A 108 -4.275 20.054 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.414 21.891 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.549 22.112 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.033 23.064 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -6.799 20.947 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.417 20.073 -7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.412 22.366 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.827 20.665 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.128 21.404 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.561 20.619 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.550 22.518 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.389 23.417 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.096 23.131 -4.415 1.00 0.00 H new ATOM 1754 N LYS A 109 -2.420 22.528 -6.717 1.00 0.00 N ATOM 1755 CA LYS A 109 -1.432 23.472 -6.210 1.00 0.00 C ATOM 1756 C LYS A 109 -0.213 23.506 -7.129 1.00 0.00 C ATOM 1757 O LYS A 109 0.743 24.248 -6.900 1.00 0.00 O ATOM 1758 CB LYS A 109 -1.029 23.113 -4.774 1.00 0.00 C ATOM 1759 CG LYS A 109 -0.175 24.175 -4.092 1.00 0.00 C ATOM 1760 CD LYS A 109 0.046 23.891 -2.609 1.00 0.00 C ATOM 1761 CE LYS A 109 1.056 22.776 -2.360 1.00 0.00 C ATOM 1762 NZ LYS A 109 0.559 21.441 -2.782 1.00 0.00 N ATOM 0 H LYS A 109 -2.346 21.586 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.876 24.467 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.931 22.950 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.481 22.171 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.791 24.236 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.654 25.148 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.390 24.801 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.905 23.621 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.978 23.001 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.304 22.747 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.846 20.727 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.479 21.462 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.961 21.198 -3.710 1.00 0.00 H new ATOM 1776 N ASN A 110 -0.251 22.697 -8.174 1.00 0.00 N ATOM 1777 CA ASN A 110 0.793 22.717 -9.182 1.00 0.00 C ATOM 1778 C ASN A 110 0.228 23.272 -10.482 1.00 0.00 C ATOM 1779 O ASN A 110 -0.551 22.608 -11.167 1.00 0.00 O ATOM 1780 CB ASN A 110 1.366 21.319 -9.415 1.00 0.00 C ATOM 1781 CG ASN A 110 2.594 21.351 -10.305 1.00 0.00 C ATOM 1782 OD1 ASN A 110 3.381 22.295 -10.261 1.00 0.00 O ATOM 1783 ND2 ASN A 110 2.762 20.327 -11.126 1.00 0.00 N ATOM 0 H ASN A 110 -0.993 22.019 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 110 1.603 23.355 -8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 110 1.624 20.868 -8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 110 0.604 20.686 -9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.567 20.302 -11.752 1.00 0.00 H new ATOM 0 HD22 ASN A 110 2.087 19.563 -11.133 1.00 0.00 H new ATOM 1790 N LEU A 111 0.595 24.501 -10.796 1.00 0.00 N ATOM 1791 CA LEU A 111 0.070 25.178 -11.974 1.00 0.00 C ATOM 1792 C LEU A 111 0.697 24.624 -13.247 1.00 0.00 C ATOM 1793 O LEU A 111 -0.005 24.293 -14.205 1.00 0.00 O ATOM 1794 CB LEU A 111 0.328 26.683 -11.878 1.00 0.00 C ATOM 1795 CG LEU A 111 -0.274 27.516 -13.009 1.00 0.00 C ATOM 1796 CD1 LEU A 111 -1.793 27.435 -12.979 1.00 0.00 C ATOM 1797 CD2 LEU A 111 0.188 28.961 -12.910 1.00 0.00 C ATOM 0 H LEU A 111 1.257 25.055 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.005 25.001 -12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.070 27.045 -10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.405 26.851 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 111 0.072 27.110 -13.960 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.205 28.034 -13.791 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.104 26.397 -13.099 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.159 27.816 -12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.250 29.540 -13.723 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.129 29.380 -11.955 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.275 29.001 -12.981 1.00 0.00 H new ATOM 1809 N GLU A 112 2.014 24.519 -13.248 1.00 0.00 N ATOM 1810 CA GLU A 112 2.738 24.055 -14.418 1.00 0.00 C ATOM 1811 C GLU A 112 3.161 22.604 -14.221 1.00 0.00 C ATOM 1812 O GLU A 112 3.776 22.265 -13.213 1.00 0.00 O ATOM 1813 CB GLU A 112 3.955 24.950 -14.664 1.00 0.00 C ATOM 1814 CG GLU A 112 3.595 26.424 -14.777 1.00 0.00 C ATOM 1815 CD GLU A 112 4.805 27.318 -14.960 1.00 0.00 C ATOM 1816 OE1 GLU A 112 5.592 27.466 -14.004 1.00 0.00 O ATOM 1817 OE2 GLU A 112 4.963 27.900 -16.055 1.00 0.00 O ATOM 0 H GLU A 112 2.605 24.749 -12.449 1.00 0.00 H new ATOM 0 HA GLU A 112 2.090 24.109 -15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 112 4.668 24.817 -13.850 1.00 0.00 H new ATOM 0 HB3 GLU A 112 4.454 24.632 -15.580 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.917 26.563 -15.619 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.056 26.730 -13.880 1.00 0.00 H new ATOM 1824 N HIS A 113 2.830 21.750 -15.186 1.00 0.00 N ATOM 1825 CA HIS A 113 3.108 20.317 -15.071 1.00 0.00 C ATOM 1826 C HIS A 113 4.607 20.070 -15.028 1.00 0.00 C ATOM 1827 O HIS A 113 5.074 19.084 -14.460 1.00 0.00 O ATOM 1828 CB HIS A 113 2.463 19.541 -16.223 1.00 0.00 C ATOM 1829 CG HIS A 113 0.964 19.564 -16.189 1.00 0.00 C ATOM 1830 ND1 HIS A 113 0.177 18.927 -17.120 1.00 0.00 N ATOM 1831 CD2 HIS A 113 0.106 20.162 -15.326 1.00 0.00 C ATOM 1832 CE1 HIS A 113 -1.094 19.132 -16.834 1.00 0.00 C ATOM 1833 NE2 HIS A 113 -1.166 19.880 -15.749 1.00 0.00 N ATOM 0 H HIS A 113 2.370 22.022 -16.055 1.00 0.00 H new ATOM 0 HA HIS A 113 2.672 19.958 -14.139 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.804 19.960 -17.170 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.804 18.506 -16.191 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.376 20.753 -14.463 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.935 18.751 -17.394 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.026 20.196 -15.300 1.00 0.00 H new ATOM 1842 N HIS A 114 5.356 20.971 -15.638 1.00 0.00 N ATOM 1843 CA HIS A 114 6.798 20.991 -15.484 1.00 0.00 C ATOM 1844 C HIS A 114 7.179 22.192 -14.646 1.00 0.00 C ATOM 1845 O HIS A 114 7.213 23.319 -15.136 1.00 0.00 O ATOM 1846 CB HIS A 114 7.514 21.025 -16.835 1.00 0.00 C ATOM 1847 CG HIS A 114 7.497 19.709 -17.550 1.00 0.00 C ATOM 1848 ND1 HIS A 114 8.588 18.869 -17.607 1.00 0.00 N ATOM 1849 CD2 HIS A 114 6.510 19.084 -18.229 1.00 0.00 C ATOM 1850 CE1 HIS A 114 8.271 17.788 -18.292 1.00 0.00 C ATOM 1851 NE2 HIS A 114 7.015 17.892 -18.681 1.00 0.00 N ATOM 0 H HIS A 114 4.987 21.701 -16.247 1.00 0.00 H new ATOM 0 HA HIS A 114 7.112 20.074 -14.986 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.046 21.780 -17.467 1.00 0.00 H new ATOM 0 HB3 HIS A 114 8.548 21.334 -16.682 1.00 0.00 H new ATOM 0 HD2 HIS A 114 5.508 19.455 -18.387 1.00 0.00 H new ATOM 0 HE1 HIS A 114 8.929 16.957 -18.500 1.00 0.00 H new ATOM 0 HE2 HIS A 114 6.503 17.200 -19.228 1.00 0.00 H new ATOM 1860 N HIS A 115 7.426 21.940 -13.370 1.00 0.00 N ATOM 1861 CA HIS A 115 7.729 22.996 -12.419 1.00 0.00 C ATOM 1862 C HIS A 115 9.009 23.709 -12.836 1.00 0.00 C ATOM 1863 O HIS A 115 9.134 24.926 -12.698 1.00 0.00 O ATOM 1864 CB HIS A 115 7.875 22.406 -11.013 1.00 0.00 C ATOM 1865 CG HIS A 115 7.685 23.400 -9.906 1.00 0.00 C ATOM 1866 ND1 HIS A 115 7.480 23.028 -8.596 1.00 0.00 N ATOM 1867 CD2 HIS A 115 7.649 24.754 -9.918 1.00 0.00 C ATOM 1868 CE1 HIS A 115 7.328 24.106 -7.852 1.00 0.00 C ATOM 1869 NE2 HIS A 115 7.426 25.168 -8.629 1.00 0.00 N ATOM 0 H HIS A 115 7.422 21.003 -12.967 1.00 0.00 H new ATOM 0 HA HIS A 115 6.913 23.719 -12.407 1.00 0.00 H new ATOM 0 HB2 HIS A 115 7.150 21.601 -10.892 1.00 0.00 H new ATOM 0 HB3 HIS A 115 8.865 21.960 -10.919 1.00 0.00 H new ATOM 0 HD2 HIS A 115 7.773 25.390 -10.782 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.153 24.118 -6.786 1.00 0.00 H new ATOM 0 HE2 HIS A 115 7.349 26.138 -8.322 1.00 0.00 H new ATOM 1878 N HIS A 116 9.955 22.939 -13.353 1.00 0.00 N ATOM 1879 CA HIS A 116 11.171 23.502 -13.904 1.00 0.00 C ATOM 1880 C HIS A 116 10.908 23.986 -15.324 1.00 0.00 C ATOM 1881 O HIS A 116 10.373 23.249 -16.153 1.00 0.00 O ATOM 1882 CB HIS A 116 12.303 22.469 -13.893 1.00 0.00 C ATOM 1883 CG HIS A 116 13.606 23.010 -14.397 1.00 0.00 C ATOM 1884 ND1 HIS A 116 14.460 23.748 -13.615 1.00 0.00 N ATOM 1885 CD2 HIS A 116 14.188 22.937 -15.617 1.00 0.00 C ATOM 1886 CE1 HIS A 116 15.507 24.112 -14.330 1.00 0.00 C ATOM 1887 NE2 HIS A 116 15.370 23.634 -15.550 1.00 0.00 N ATOM 0 H HIS A 116 9.900 21.922 -13.401 1.00 0.00 H new ATOM 0 HA HIS A 116 11.481 24.346 -13.287 1.00 0.00 H new ATOM 0 HB2 HIS A 116 12.440 22.101 -12.876 1.00 0.00 H new ATOM 0 HB3 HIS A 116 12.012 21.615 -14.504 1.00 0.00 H new ATOM 0 HD2 HIS A 116 13.796 22.425 -16.483 1.00 0.00 H new ATOM 0 HE1 HIS A 116 16.338 24.703 -13.975 1.00 0.00 H new ATOM 0 HE2 HIS A 116 16.031 23.760 -16.317 1.00 0.00 H new ATOM 1896 N HIS A 117 11.290 25.221 -15.601 1.00 0.00 N ATOM 1897 CA HIS A 117 11.033 25.825 -16.899 1.00 0.00 C ATOM 1898 C HIS A 117 12.081 25.396 -17.914 1.00 0.00 C ATOM 1899 O HIS A 117 13.209 25.052 -17.556 1.00 0.00 O ATOM 1900 CB HIS A 117 10.986 27.351 -16.786 1.00 0.00 C ATOM 1901 CG HIS A 117 9.730 27.865 -16.145 1.00 0.00 C ATOM 1902 ND1 HIS A 117 9.128 29.045 -16.514 1.00 0.00 N ATOM 1903 CD2 HIS A 117 8.960 27.350 -15.155 1.00 0.00 C ATOM 1904 CE1 HIS A 117 8.051 29.236 -15.780 1.00 0.00 C ATOM 1905 NE2 HIS A 117 7.921 28.221 -14.948 1.00 0.00 N ATOM 0 H HIS A 117 11.780 25.827 -14.943 1.00 0.00 H new ATOM 0 HA HIS A 117 10.061 25.476 -17.247 1.00 0.00 H new ATOM 0 HB2 HIS A 117 11.845 27.691 -16.208 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.080 27.784 -17.782 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.133 26.424 -14.627 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.385 30.083 -15.848 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.173 28.103 -14.265 1.00 0.00 H new ATOM 1914 N HIS A 118 11.701 25.409 -19.178 1.00 0.00 N ATOM 1915 CA HIS A 118 12.585 24.963 -20.242 1.00 0.00 C ATOM 1916 C HIS A 118 13.349 26.147 -20.808 1.00 0.00 C ATOM 1917 O HIS A 118 14.431 26.461 -20.278 1.00 0.00 O ATOM 1918 CB HIS A 118 11.793 24.274 -21.359 1.00 0.00 C ATOM 1919 CG HIS A 118 10.902 23.166 -20.887 1.00 0.00 C ATOM 1920 ND1 HIS A 118 11.291 21.847 -20.846 1.00 0.00 N ATOM 1921 CD2 HIS A 118 9.625 23.192 -20.443 1.00 0.00 C ATOM 1922 CE1 HIS A 118 10.288 21.110 -20.402 1.00 0.00 C ATOM 1923 NE2 HIS A 118 9.264 21.904 -20.149 1.00 0.00 N ATOM 1924 OXT HIS A 118 12.851 26.767 -21.769 1.00 0.00 O ATOM 0 H HIS A 118 10.784 25.724 -19.495 1.00 0.00 H new ATOM 0 HA HIS A 118 13.288 24.243 -19.824 1.00 0.00 H new ATOM 0 HB2 HIS A 118 11.186 25.020 -21.872 1.00 0.00 H new ATOM 0 HB3 HIS A 118 12.493 23.874 -22.092 1.00 0.00 H new ATOM 0 HD2 HIS A 118 9.003 24.069 -20.339 1.00 0.00 H new ATOM 0 HE1 HIS A 118 10.303 20.038 -20.269 1.00 0.00 H new ATOM 0 HE2 HIS A 118 8.355 21.607 -19.794 1.00 0.00 H new TER 1933 HIS A 118