USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 117 SER OG : rot 8:sc= 0.173 USER MOD Set 1.2: A 125 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -127:sc= -0.0671 (180deg=-0.364) USER MOD Set 2.2: A 142 LYS NZ :NH3+ -149:sc= 0.287 (180deg=0.0177) USER MOD Single : A 1 SER N :NH3+ -145:sc= -0.042 (180deg=-0.104) USER MOD Single : A 1 SER OG : rot 45:sc= 0.729 USER MOD Single : A 4 ASN : amide:sc= -0.331 K(o=-0.33,f=-5.2!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 15 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 20 HIS : no HD1:sc= -0.789 X(o=-0.79,f=-0.76) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -41:sc= -1.61! USER MOD Single : A 26 SER OG : rot 180:sc= -1.47 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= 1.13 (180deg=-0.414) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= -2.16 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc=-0.00343 X(o=-0.0034,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot -74:sc= -0.966 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -10:sc= 2.08 USER MOD Single : A 123 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.1!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 137 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.29) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc=-0.000755 X(o=-0.00076,f=-0.056) USER MOD Single : A 149 THR OG1 : rot -40:sc= 0.859 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.223 14.298 -3.794 1.00 0.00 N ATOM 2 CA SER A 1 -3.080 12.823 -3.692 1.00 0.00 C ATOM 3 C SER A 1 -1.664 12.381 -4.040 1.00 0.00 C ATOM 4 O SER A 1 -1.378 12.020 -5.182 1.00 0.00 O ATOM 5 CB SER A 1 -4.087 12.169 -4.640 1.00 0.00 C ATOM 6 OG SER A 1 -3.872 12.585 -5.978 1.00 0.00 O ATOM 0 H1 SER A 1 -3.878 14.635 -3.060 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.294 14.747 -3.662 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.597 14.546 -4.732 1.00 0.00 H new ATOM 0 HA SER A 1 -3.276 12.514 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.001 11.084 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.101 12.428 -4.334 1.00 0.00 H new ATOM 0 HG SER A 1 -2.914 12.555 -6.180 1.00 0.00 H new ATOM 14 N ILE A 2 -0.779 12.411 -3.049 1.00 0.00 N ATOM 15 CA ILE A 2 0.609 12.015 -3.251 1.00 0.00 C ATOM 16 C ILE A 2 0.750 10.498 -3.274 1.00 0.00 C ATOM 17 O ILE A 2 1.579 9.954 -4.004 1.00 0.00 O ATOM 18 CB ILE A 2 1.526 12.585 -2.154 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.261 14.079 -1.959 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.986 12.343 -2.502 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.799 14.619 -0.652 1.00 0.00 C ATOM 0 H ILE A 2 -0.999 12.706 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 2 0.913 12.423 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 2 1.306 12.071 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.711 14.631 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.187 14.259 -2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.620 12.752 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.166 11.272 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.220 12.831 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.576 15.684 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.331 14.092 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.878 14.471 -0.614 1.00 0.00 H new ATOM 33 N LYS A 3 -0.060 9.820 -2.468 1.00 0.00 N ATOM 34 CA LYS A 3 -0.018 8.364 -2.399 1.00 0.00 C ATOM 35 C LYS A 3 -1.244 7.814 -1.676 1.00 0.00 C ATOM 36 O LYS A 3 -1.699 8.381 -0.683 1.00 0.00 O ATOM 37 CB LYS A 3 1.258 7.903 -1.690 1.00 0.00 C ATOM 38 CG LYS A 3 1.942 6.728 -2.371 1.00 0.00 C ATOM 39 CD LYS A 3 1.761 5.439 -1.584 1.00 0.00 C ATOM 40 CE LYS A 3 3.097 4.859 -1.144 1.00 0.00 C ATOM 41 NZ LYS A 3 3.972 4.537 -2.304 1.00 0.00 N ATOM 0 H LYS A 3 -0.751 10.253 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.019 7.978 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.956 8.738 -1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.014 7.626 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.536 6.602 -3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.005 6.940 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.141 5.631 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.231 4.710 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.605 5.571 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.925 3.957 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.291 3.550 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.439 4.667 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.798 5.169 -2.302 1.00 0.00 H new ATOM 55 N ASN A 4 -1.770 6.703 -2.181 1.00 0.00 N ATOM 56 CA ASN A 4 -2.940 6.069 -1.586 1.00 0.00 C ATOM 57 C ASN A 4 -2.869 4.553 -1.734 1.00 0.00 C ATOM 58 O ASN A 4 -2.419 4.041 -2.759 1.00 0.00 O ATOM 59 CB ASN A 4 -4.220 6.596 -2.240 1.00 0.00 C ATOM 60 CG ASN A 4 -4.283 6.284 -3.723 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.256 6.087 -4.371 1.00 0.00 O ATOM 62 ND2 ASN A 4 -5.493 6.237 -4.266 1.00 0.00 N ATOM 0 H ASN A 4 -1.403 6.223 -3.003 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.955 6.314 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.086 6.158 -1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.281 7.675 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.599 6.031 -5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.317 6.407 -3.690 1.00 0.00 H new ATOM 69 N GLY A 5 -3.311 3.841 -0.704 1.00 0.00 N ATOM 70 CA GLY A 5 -3.283 2.389 -0.746 1.00 0.00 C ATOM 71 C GLY A 5 -4.172 1.758 0.308 1.00 0.00 C ATOM 72 O GLY A 5 -4.943 2.447 0.975 1.00 0.00 O ATOM 0 H GLY A 5 -3.687 4.240 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.600 2.052 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.258 2.045 -0.605 1.00 0.00 H new ATOM 76 N ILE A 6 -4.063 0.442 0.456 1.00 0.00 N ATOM 77 CA ILE A 6 -4.863 -0.286 1.432 1.00 0.00 C ATOM 78 C ILE A 6 -4.069 -0.542 2.709 1.00 0.00 C ATOM 79 O ILE A 6 -3.545 -1.636 2.916 1.00 0.00 O ATOM 80 CB ILE A 6 -5.352 -1.635 0.868 1.00 0.00 C ATOM 81 CG1 ILE A 6 -5.911 -1.454 -0.545 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.403 -2.241 1.785 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.107 -0.528 -0.607 1.00 0.00 C ATOM 0 H ILE A 6 -3.428 -0.142 -0.088 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.727 0.338 1.660 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.504 -2.318 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.125 -1.063 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.195 -2.428 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.739 -3.193 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.973 -2.404 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.251 -1.561 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.451 -0.446 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.910 -0.928 0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.823 0.458 -0.240 1.00 0.00 H new ATOM 95 N LEU A 7 -3.986 0.472 3.563 1.00 0.00 N ATOM 96 CA LEU A 7 -3.256 0.351 4.821 1.00 0.00 C ATOM 97 C LEU A 7 -4.169 -0.175 5.925 1.00 0.00 C ATOM 98 O LEU A 7 -5.305 0.275 6.073 1.00 0.00 O ATOM 99 CB LEU A 7 -2.664 1.705 5.223 1.00 0.00 C ATOM 100 CG LEU A 7 -1.153 1.836 5.016 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.403 0.885 5.937 1.00 0.00 C ATOM 102 CD2 LEU A 7 -0.788 1.571 3.562 1.00 0.00 C ATOM 0 H LEU A 7 -4.414 1.385 3.408 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.442 -0.360 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.163 2.487 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.889 1.886 6.274 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.860 2.856 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.670 0.992 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.639 1.121 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.701 -0.141 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.290 1.669 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.096 0.562 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.296 2.292 2.922 1.00 0.00 H new ATOM 114 N TYR A 8 -3.667 -1.137 6.692 1.00 0.00 N ATOM 115 CA TYR A 8 -4.438 -1.732 7.778 1.00 0.00 C ATOM 116 C TYR A 8 -4.563 -0.772 8.958 1.00 0.00 C ATOM 117 O TYR A 8 -3.844 0.224 9.042 1.00 0.00 O ATOM 118 CB TYR A 8 -3.785 -3.036 8.238 1.00 0.00 C ATOM 119 CG TYR A 8 -3.633 -4.060 7.136 1.00 0.00 C ATOM 120 CD1 TYR A 8 -4.714 -4.418 6.339 1.00 0.00 C ATOM 121 CD2 TYR A 8 -2.409 -4.670 6.892 1.00 0.00 C ATOM 122 CE1 TYR A 8 -4.581 -5.353 5.331 1.00 0.00 C ATOM 123 CE2 TYR A 8 -2.267 -5.606 5.885 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.354 -5.944 5.109 1.00 0.00 C ATOM 125 OH TYR A 8 -3.217 -6.876 4.105 1.00 0.00 O ATOM 0 H TYR A 8 -2.729 -1.522 6.582 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.439 -1.943 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.802 -2.813 8.653 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.381 -3.467 9.043 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.675 -3.957 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.555 -4.409 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.431 -5.620 4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.308 -6.070 5.707 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.291 -7.195 4.079 1.00 0.00 H new ATOM 135 N LEU A 9 -5.480 -1.084 9.867 1.00 0.00 N ATOM 136 CA LEU A 9 -5.707 -0.258 11.047 1.00 0.00 C ATOM 137 C LEU A 9 -6.420 -1.057 12.135 1.00 0.00 C ATOM 138 O LEU A 9 -7.569 -1.466 11.964 1.00 0.00 O ATOM 139 CB LEU A 9 -6.534 0.978 10.682 1.00 0.00 C ATOM 140 CG LEU A 9 -5.723 2.171 10.165 1.00 0.00 C ATOM 141 CD1 LEU A 9 -6.052 2.451 8.707 1.00 0.00 C ATOM 142 CD2 LEU A 9 -5.984 3.405 11.016 1.00 0.00 C ATOM 0 H LEU A 9 -6.080 -1.906 9.809 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.738 0.064 11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.263 0.697 9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.095 1.293 11.561 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.664 1.921 10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.466 3.302 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.812 1.574 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.114 2.678 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.399 4.241 10.633 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.044 3.656 10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.696 3.203 12.048 1.00 0.00 H new ATOM 154 N GLU A 10 -5.732 -1.279 13.249 1.00 0.00 N ATOM 155 CA GLU A 10 -6.300 -2.035 14.359 1.00 0.00 C ATOM 156 C GLU A 10 -7.351 -1.216 15.103 1.00 0.00 C ATOM 157 O GLU A 10 -7.036 -0.494 16.048 1.00 0.00 O ATOM 158 CB GLU A 10 -5.199 -2.474 15.327 1.00 0.00 C ATOM 159 CG GLU A 10 -4.260 -1.350 15.737 1.00 0.00 C ATOM 160 CD GLU A 10 -3.517 -1.652 17.022 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.109 -1.475 18.108 1.00 0.00 O ATOM 162 OE2 GLU A 10 -2.340 -2.066 16.944 1.00 0.00 O ATOM 0 H GLU A 10 -4.781 -0.947 13.408 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.784 -2.920 13.946 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.660 -2.894 16.221 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.617 -3.271 14.864 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.540 -1.173 14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.832 -0.430 15.860 1.00 0.00 H new ATOM 169 N ASP A 11 -8.603 -1.335 14.673 1.00 0.00 N ATOM 170 CA ASP A 11 -9.699 -0.609 15.303 1.00 0.00 C ATOM 171 C ASP A 11 -9.833 -1.006 16.773 1.00 0.00 C ATOM 172 O ASP A 11 -10.176 -2.147 17.082 1.00 0.00 O ATOM 173 CB ASP A 11 -11.012 -0.886 14.566 1.00 0.00 C ATOM 174 CG ASP A 11 -11.921 0.326 14.529 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.398 1.459 14.476 1.00 0.00 O ATOM 176 OD2 ASP A 11 -13.157 0.143 14.553 1.00 0.00 O ATOM 0 H ASP A 11 -8.883 -1.927 13.891 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.479 0.457 15.248 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.793 -1.204 13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.531 -1.712 15.053 1.00 0.00 H new ATOM 181 N PRO A 12 -9.561 -0.073 17.704 1.00 0.00 N ATOM 182 CA PRO A 12 -9.650 -0.342 19.146 1.00 0.00 C ATOM 183 C PRO A 12 -11.013 -0.889 19.566 1.00 0.00 C ATOM 184 O PRO A 12 -11.149 -1.474 20.641 1.00 0.00 O ATOM 185 CB PRO A 12 -9.410 1.029 19.783 1.00 0.00 C ATOM 186 CG PRO A 12 -8.640 1.793 18.762 1.00 0.00 C ATOM 187 CD PRO A 12 -9.138 1.313 17.428 1.00 0.00 C ATOM 0 HA PRO A 12 -8.935 -1.105 19.453 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.351 1.525 20.021 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.852 0.940 20.715 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.798 2.866 18.875 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.570 1.616 18.866 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.966 1.922 17.065 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.357 1.352 16.669 1.00 0.00 H new ATOM 195 N VAL A 13 -12.019 -0.694 18.720 1.00 0.00 N ATOM 196 CA VAL A 13 -13.367 -1.165 19.016 1.00 0.00 C ATOM 197 C VAL A 13 -13.438 -2.687 18.994 1.00 0.00 C ATOM 198 O VAL A 13 -14.088 -3.302 19.840 1.00 0.00 O ATOM 199 CB VAL A 13 -14.392 -0.602 18.014 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.809 -0.935 18.454 1.00 0.00 C ATOM 201 CG2 VAL A 13 -14.213 0.901 17.856 1.00 0.00 C ATOM 0 H VAL A 13 -11.927 -0.214 17.825 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.612 -0.808 20.016 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.220 -1.069 17.044 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.519 -0.529 17.733 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.928 -2.017 18.510 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.998 -0.498 19.435 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.946 1.282 17.144 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.357 1.388 18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.208 1.111 17.490 1.00 0.00 H new ATOM 211 N ASN A 14 -12.765 -3.288 18.021 1.00 0.00 N ATOM 212 CA ASN A 14 -12.752 -4.740 17.884 1.00 0.00 C ATOM 213 C ASN A 14 -11.355 -5.307 18.134 1.00 0.00 C ATOM 214 O ASN A 14 -11.190 -6.516 18.304 1.00 0.00 O ATOM 215 CB ASN A 14 -13.234 -5.146 16.490 1.00 0.00 C ATOM 216 CG ASN A 14 -14.742 -5.295 16.423 1.00 0.00 C ATOM 217 OD1 ASN A 14 -15.320 -6.174 17.064 1.00 0.00 O ATOM 218 ND2 ASN A 14 -15.389 -4.437 15.644 1.00 0.00 N ATOM 0 H ASN A 14 -12.221 -2.793 17.315 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.428 -5.152 18.633 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.912 -4.398 15.765 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.765 -6.088 16.206 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -16.404 -4.491 15.559 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.871 -3.724 15.130 1.00 0.00 H new ATOM 225 N HIS A 15 -10.352 -4.435 18.155 1.00 0.00 N ATOM 226 CA HIS A 15 -8.975 -4.858 18.383 1.00 0.00 C ATOM 227 C HIS A 15 -8.507 -5.805 17.279 1.00 0.00 C ATOM 228 O HIS A 15 -7.988 -6.886 17.553 1.00 0.00 O ATOM 229 CB HIS A 15 -8.848 -5.538 19.747 1.00 0.00 C ATOM 230 CG HIS A 15 -9.270 -4.670 20.890 1.00 0.00 C ATOM 231 ND1 HIS A 15 -10.538 -4.702 21.432 1.00 0.00 N ATOM 232 CD2 HIS A 15 -8.584 -3.740 21.598 1.00 0.00 C ATOM 233 CE1 HIS A 15 -10.615 -3.830 22.421 1.00 0.00 C ATOM 234 NE2 HIS A 15 -9.443 -3.234 22.543 1.00 0.00 N ATOM 0 H HIS A 15 -10.467 -3.431 18.017 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.340 -3.972 18.368 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.451 -6.446 19.749 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.812 -5.843 19.896 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.554 -3.451 21.447 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.488 -3.637 23.027 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.213 -2.514 23.228 1.00 0.00 H new ATOM 243 N GLU A 16 -8.697 -5.387 16.032 1.00 0.00 N ATOM 244 CA GLU A 16 -8.296 -6.198 14.887 1.00 0.00 C ATOM 245 C GLU A 16 -7.989 -5.316 13.679 1.00 0.00 C ATOM 246 O GLU A 16 -8.543 -4.227 13.535 1.00 0.00 O ATOM 247 CB GLU A 16 -9.396 -7.202 14.535 1.00 0.00 C ATOM 248 CG GLU A 16 -9.187 -8.573 15.158 1.00 0.00 C ATOM 249 CD GLU A 16 -10.493 -9.288 15.444 1.00 0.00 C ATOM 250 OE1 GLU A 16 -11.338 -9.371 14.528 1.00 0.00 O ATOM 251 OE2 GLU A 16 -10.671 -9.765 16.584 1.00 0.00 O ATOM 0 H GLU A 16 -9.125 -4.494 15.788 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.391 -6.743 15.157 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.357 -6.806 14.862 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.447 -7.308 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.582 -9.184 14.488 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.625 -8.465 16.086 1.00 0.00 H new ATOM 258 N TRP A 17 -7.102 -5.796 12.812 1.00 0.00 N ATOM 259 CA TRP A 17 -6.721 -5.052 11.618 1.00 0.00 C ATOM 260 C TRP A 17 -7.762 -5.219 10.517 1.00 0.00 C ATOM 261 O TRP A 17 -8.096 -6.338 10.128 1.00 0.00 O ATOM 262 CB TRP A 17 -5.353 -5.519 11.114 1.00 0.00 C ATOM 263 CG TRP A 17 -4.289 -5.476 12.165 1.00 0.00 C ATOM 264 CD1 TRP A 17 -3.839 -6.521 12.920 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.538 -4.329 12.581 1.00 0.00 C ATOM 266 NE1 TRP A 17 -2.856 -6.095 13.778 1.00 0.00 N ATOM 267 CE2 TRP A 17 -2.654 -4.753 13.591 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.529 -2.985 12.197 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.770 -3.881 14.220 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.651 -2.121 12.823 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.781 -2.572 13.825 1.00 0.00 C ATOM 0 H TRP A 17 -6.634 -6.697 12.915 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.663 -3.996 11.883 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.441 -6.538 10.737 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -5.050 -4.894 10.274 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -4.204 -7.535 12.852 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -2.357 -6.682 14.446 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.196 -2.629 11.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.099 -4.226 14.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.635 -1.080 12.535 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -1.106 -1.872 14.294 1.00 0.00 H new ATOM 282 N TYR A 18 -8.271 -4.098 10.015 1.00 0.00 N ATOM 283 CA TYR A 18 -9.274 -4.120 8.956 1.00 0.00 C ATOM 284 C TYR A 18 -8.767 -3.391 7.713 1.00 0.00 C ATOM 285 O TYR A 18 -8.084 -2.371 7.820 1.00 0.00 O ATOM 286 CB TYR A 18 -10.574 -3.479 9.441 1.00 0.00 C ATOM 287 CG TYR A 18 -11.229 -4.226 10.582 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.880 -3.962 11.901 1.00 0.00 C ATOM 289 CD2 TYR A 18 -12.193 -5.195 10.340 1.00 0.00 C ATOM 290 CE1 TYR A 18 -11.475 -4.642 12.946 1.00 0.00 C ATOM 291 CE2 TYR A 18 -12.794 -5.879 11.381 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.431 -5.599 12.680 1.00 0.00 C ATOM 293 OH TYR A 18 -13.026 -6.280 13.718 1.00 0.00 O ATOM 0 H TYR A 18 -8.005 -3.163 10.325 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.467 -5.160 8.694 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -10.369 -2.456 9.758 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -11.274 -3.420 8.607 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.131 -3.213 12.113 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.478 -5.418 9.323 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.193 -4.425 13.966 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.544 -6.629 11.177 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.678 -6.918 13.360 1.00 0.00 H new ATOM 303 N PRO A 19 -9.094 -3.904 6.515 1.00 0.00 N ATOM 304 CA PRO A 19 -8.664 -3.292 5.252 1.00 0.00 C ATOM 305 C PRO A 19 -9.342 -1.949 5.003 1.00 0.00 C ATOM 306 O PRO A 19 -10.496 -1.893 4.577 1.00 0.00 O ATOM 307 CB PRO A 19 -9.093 -4.312 4.196 1.00 0.00 C ATOM 308 CG PRO A 19 -10.216 -5.062 4.823 1.00 0.00 C ATOM 309 CD PRO A 19 -9.906 -5.115 6.294 1.00 0.00 C ATOM 0 HA PRO A 19 -7.595 -3.079 5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.411 -3.820 3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.271 -4.978 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.168 -4.563 4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.297 -6.065 4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.814 -5.106 6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.358 -6.020 6.557 1.00 0.00 H new ATOM 317 N HIS A 20 -8.617 -0.867 5.271 1.00 0.00 N ATOM 318 CA HIS A 20 -9.149 0.477 5.077 1.00 0.00 C ATOM 319 C HIS A 20 -8.316 1.249 4.057 1.00 0.00 C ATOM 320 O HIS A 20 -7.087 1.186 4.067 1.00 0.00 O ATOM 321 CB HIS A 20 -9.180 1.233 6.405 1.00 0.00 C ATOM 322 CG HIS A 20 -10.121 0.642 7.408 1.00 0.00 C ATOM 323 ND1 HIS A 20 -9.873 0.642 8.766 1.00 0.00 N ATOM 324 CD2 HIS A 20 -11.317 0.026 7.247 1.00 0.00 C ATOM 325 CE1 HIS A 20 -10.875 0.052 9.394 1.00 0.00 C ATOM 326 NE2 HIS A 20 -11.764 -0.330 8.496 1.00 0.00 N ATOM 0 H HIS A 20 -7.660 -0.895 5.623 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.166 0.387 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.175 1.250 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.465 2.268 6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.825 -0.152 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.953 -0.093 10.461 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.641 -0.811 8.697 1.00 0.00 H new ATOM 335 N TYR A 21 -8.996 1.979 3.179 1.00 0.00 N ATOM 336 CA TYR A 21 -8.323 2.765 2.151 1.00 0.00 C ATOM 337 C TYR A 21 -7.859 4.108 2.710 1.00 0.00 C ATOM 338 O TYR A 21 -8.568 4.747 3.486 1.00 0.00 O ATOM 339 CB TYR A 21 -9.257 2.991 0.961 1.00 0.00 C ATOM 340 CG TYR A 21 -8.562 2.923 -0.382 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.522 3.790 -0.692 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.950 1.993 -1.338 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.887 3.730 -1.918 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.318 1.927 -2.566 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.288 2.798 -2.850 1.00 0.00 C ATOM 346 OH TYR A 21 -6.657 2.736 -4.071 1.00 0.00 O ATOM 0 H TYR A 21 -10.014 2.043 3.159 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.447 2.208 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.051 2.245 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.733 3.966 1.065 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.205 4.522 0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.758 1.311 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.080 4.411 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.630 1.197 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.059 2.024 -4.611 1.00 0.00 H new ATOM 356 N PHE A 22 -6.664 4.530 2.306 1.00 0.00 N ATOM 357 CA PHE A 22 -6.107 5.798 2.764 1.00 0.00 C ATOM 358 C PHE A 22 -5.535 6.595 1.596 1.00 0.00 C ATOM 359 O PHE A 22 -4.683 6.102 0.855 1.00 0.00 O ATOM 360 CB PHE A 22 -5.016 5.554 3.811 1.00 0.00 C ATOM 361 CG PHE A 22 -5.328 6.144 5.157 1.00 0.00 C ATOM 362 CD1 PHE A 22 -6.145 5.472 6.051 1.00 0.00 C ATOM 363 CD2 PHE A 22 -4.801 7.371 5.528 1.00 0.00 C ATOM 364 CE1 PHE A 22 -6.430 6.013 7.292 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.083 7.917 6.766 1.00 0.00 C ATOM 366 CZ PHE A 22 -5.898 7.236 7.648 1.00 0.00 C ATOM 0 H PHE A 22 -6.064 4.013 1.663 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.913 6.376 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.864 4.480 3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.077 5.973 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.564 4.515 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.162 7.907 4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.068 5.479 7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.667 8.874 7.043 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.119 7.660 8.616 1.00 0.00 H new ATOM 376 N VAL A 23 -6.004 7.828 1.442 1.00 0.00 N ATOM 377 CA VAL A 23 -5.534 8.698 0.370 1.00 0.00 C ATOM 378 C VAL A 23 -4.733 9.866 0.932 1.00 0.00 C ATOM 379 O VAL A 23 -5.298 10.820 1.467 1.00 0.00 O ATOM 380 CB VAL A 23 -6.707 9.248 -0.465 1.00 0.00 C ATOM 381 CG1 VAL A 23 -6.190 9.987 -1.691 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.648 8.122 -0.869 1.00 0.00 C ATOM 0 H VAL A 23 -6.710 8.248 2.046 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.895 8.094 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.266 9.956 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.032 10.368 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.560 10.819 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.607 9.304 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.470 8.529 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.104 7.389 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.045 7.641 0.025 1.00 0.00 H new ATOM 392 N LEU A 24 -3.410 9.783 0.811 1.00 0.00 N ATOM 393 CA LEU A 24 -2.530 10.832 1.314 1.00 0.00 C ATOM 394 C LEU A 24 -2.417 11.977 0.314 1.00 0.00 C ATOM 395 O LEU A 24 -1.802 11.832 -0.744 1.00 0.00 O ATOM 396 CB LEU A 24 -1.143 10.260 1.611 1.00 0.00 C ATOM 397 CG LEU A 24 -0.165 11.235 2.270 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.266 11.151 3.785 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.257 10.953 1.812 1.00 0.00 C ATOM 0 H LEU A 24 -2.926 9.001 0.370 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.962 11.223 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.257 9.391 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.705 9.907 0.677 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.430 12.247 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.437 11.851 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.280 11.403 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.028 10.138 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.939 11.656 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.533 9.935 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.320 11.066 0.730 1.00 0.00 H new ATOM 411 N THR A 25 -3.011 13.116 0.659 1.00 0.00 N ATOM 412 CA THR A 25 -2.973 14.289 -0.206 1.00 0.00 C ATOM 413 C THR A 25 -1.897 15.266 0.254 1.00 0.00 C ATOM 414 O THR A 25 -1.505 15.270 1.421 1.00 0.00 O ATOM 415 CB THR A 25 -4.336 14.982 -0.230 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.634 15.549 1.032 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.473 14.053 -0.597 1.00 0.00 C ATOM 0 H THR A 25 -3.524 13.251 1.531 1.00 0.00 H new ATOM 0 HA THR A 25 -2.730 13.957 -1.215 1.00 0.00 H new ATOM 0 HB THR A 25 -4.255 15.751 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.364 14.929 1.741 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.411 14.608 -0.596 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.298 13.638 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.530 13.243 0.130 1.00 0.00 H new ATOM 425 N SER A 26 -1.423 16.090 -0.673 1.00 0.00 N ATOM 426 CA SER A 26 -0.385 17.068 -0.371 1.00 0.00 C ATOM 427 C SER A 26 -0.869 18.125 0.622 1.00 0.00 C ATOM 428 O SER A 26 -0.066 18.895 1.151 1.00 0.00 O ATOM 429 CB SER A 26 0.089 17.747 -1.658 1.00 0.00 C ATOM 430 OG SER A 26 1.190 17.055 -2.223 1.00 0.00 O ATOM 0 H SER A 26 -1.742 16.100 -1.642 1.00 0.00 H new ATOM 0 HA SER A 26 0.445 16.532 0.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.730 17.783 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.373 18.778 -1.446 1.00 0.00 H new ATOM 0 HG SER A 26 1.473 17.507 -3.045 1.00 0.00 H new ATOM 436 N SER A 27 -2.174 18.170 0.870 1.00 0.00 N ATOM 437 CA SER A 27 -2.732 19.149 1.797 1.00 0.00 C ATOM 438 C SER A 27 -3.478 18.483 2.955 1.00 0.00 C ATOM 439 O SER A 27 -4.053 19.169 3.799 1.00 0.00 O ATOM 440 CB SER A 27 -3.673 20.100 1.056 1.00 0.00 C ATOM 441 OG SER A 27 -2.972 21.229 0.564 1.00 0.00 O ATOM 0 H SER A 27 -2.860 17.546 0.446 1.00 0.00 H new ATOM 0 HA SER A 27 -1.897 19.710 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.149 19.574 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.468 20.425 1.726 1.00 0.00 H new ATOM 0 HG SER A 27 -3.595 21.821 0.093 1.00 0.00 H new ATOM 447 N LYS A 28 -3.471 17.149 2.997 1.00 0.00 N ATOM 448 CA LYS A 28 -4.156 16.423 4.066 1.00 0.00 C ATOM 449 C LYS A 28 -4.147 14.918 3.809 1.00 0.00 C ATOM 450 O LYS A 28 -3.474 14.435 2.899 1.00 0.00 O ATOM 451 CB LYS A 28 -5.600 16.918 4.207 1.00 0.00 C ATOM 452 CG LYS A 28 -5.830 17.779 5.437 1.00 0.00 C ATOM 453 CD LYS A 28 -6.936 18.796 5.207 1.00 0.00 C ATOM 454 CE LYS A 28 -8.244 18.352 5.842 1.00 0.00 C ATOM 455 NZ LYS A 28 -8.144 18.282 7.327 1.00 0.00 N ATOM 0 H LYS A 28 -3.004 16.556 2.311 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.618 16.614 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.868 17.490 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.268 16.058 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.089 17.144 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.907 18.297 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.638 19.759 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.081 18.941 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.037 19.046 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.524 17.374 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.046 18.581 7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.933 17.305 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.383 18.911 7.654 1.00 0.00 H new ATOM 469 N ILE A 29 -4.903 14.185 4.621 1.00 0.00 N ATOM 470 CA ILE A 29 -4.995 12.737 4.491 1.00 0.00 C ATOM 471 C ILE A 29 -6.439 12.270 4.637 1.00 0.00 C ATOM 472 O ILE A 29 -7.071 12.493 5.669 1.00 0.00 O ATOM 473 CB ILE A 29 -4.130 12.015 5.545 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.853 12.811 5.831 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.794 10.607 5.075 1.00 0.00 C ATOM 476 CD1 ILE A 29 -1.894 12.107 6.767 1.00 0.00 C ATOM 0 H ILE A 29 -5.463 14.574 5.380 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.625 12.485 3.497 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.699 11.943 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.344 13.015 4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.125 13.775 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.183 10.108 5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.715 10.044 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.242 10.659 4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.014 12.731 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.385 11.927 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.592 11.155 6.330 1.00 0.00 H new ATOM 488 N TYR A 30 -6.957 11.628 3.597 1.00 0.00 N ATOM 489 CA TYR A 30 -8.330 11.136 3.612 1.00 0.00 C ATOM 490 C TYR A 30 -8.369 9.630 3.847 1.00 0.00 C ATOM 491 O TYR A 30 -7.421 8.915 3.518 1.00 0.00 O ATOM 492 CB TYR A 30 -9.031 11.476 2.294 1.00 0.00 C ATOM 493 CG TYR A 30 -9.362 12.945 2.147 1.00 0.00 C ATOM 494 CD1 TYR A 30 -8.365 13.910 2.212 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.670 13.365 1.944 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.663 15.253 2.078 1.00 0.00 C ATOM 497 CE2 TYR A 30 -10.976 14.706 1.809 1.00 0.00 C ATOM 498 CZ TYR A 30 -9.969 15.645 1.876 1.00 0.00 C ATOM 499 OH TYR A 30 -10.269 16.981 1.743 1.00 0.00 O ATOM 0 H TYR A 30 -6.449 11.436 2.734 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.854 11.626 4.433 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.394 11.171 1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.951 10.896 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.341 13.606 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.461 12.632 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.877 15.991 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.998 15.017 1.652 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.233 17.088 1.605 1.00 0.00 H new ATOM 509 N TYR A 31 -9.470 9.153 4.419 1.00 0.00 N ATOM 510 CA TYR A 31 -9.633 7.732 4.699 1.00 0.00 C ATOM 511 C TYR A 31 -11.080 7.409 5.056 1.00 0.00 C ATOM 512 O TYR A 31 -11.784 8.234 5.637 1.00 0.00 O ATOM 513 CB TYR A 31 -8.704 7.303 5.838 1.00 0.00 C ATOM 514 CG TYR A 31 -9.047 7.931 7.171 1.00 0.00 C ATOM 515 CD1 TYR A 31 -10.094 7.444 7.939 1.00 0.00 C ATOM 516 CD2 TYR A 31 -8.322 9.012 7.657 1.00 0.00 C ATOM 517 CE1 TYR A 31 -10.412 8.014 9.157 1.00 0.00 C ATOM 518 CE2 TYR A 31 -8.633 9.588 8.875 1.00 0.00 C ATOM 519 CZ TYR A 31 -9.678 9.085 9.621 1.00 0.00 C ATOM 520 OH TYR A 31 -9.990 9.656 10.834 1.00 0.00 O ATOM 0 H TYR A 31 -10.263 9.731 4.698 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.369 7.178 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.742 6.218 5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.678 7.564 5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.671 6.605 7.579 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.503 9.408 7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.231 7.623 9.742 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.060 10.428 9.240 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.376 10.398 11.014 1.00 0.00 H new ATOM 530 N SER A 32 -11.517 6.204 4.706 1.00 0.00 N ATOM 531 CA SER A 32 -12.881 5.773 4.989 1.00 0.00 C ATOM 532 C SER A 32 -13.028 4.267 4.795 1.00 0.00 C ATOM 533 O SER A 32 -12.055 3.569 4.517 1.00 0.00 O ATOM 534 CB SER A 32 -13.871 6.515 4.090 1.00 0.00 C ATOM 535 OG SER A 32 -13.256 6.920 2.880 1.00 0.00 O ATOM 0 H SER A 32 -10.946 5.508 4.226 1.00 0.00 H new ATOM 0 HA SER A 32 -13.101 6.009 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.722 5.870 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.259 7.388 4.614 1.00 0.00 H new ATOM 0 HG SER A 32 -13.910 7.391 2.322 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.878 10.659 6.595 1.00 0.00 N ATOM 1397 CA GLY A 91 -11.845 10.856 7.593 1.00 0.00 C ATOM 1398 C GLY A 91 -10.668 11.652 7.061 1.00 0.00 C ATOM 1399 O GLY A 91 -9.806 11.108 6.370 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.270 11.373 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.494 9.886 7.945 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.634 12.940 7.383 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.560 13.813 6.934 1.00 0.00 C ATOM 1405 C VAL A 92 -8.501 13.982 8.019 1.00 0.00 C ATOM 1406 O VAL A 92 -8.777 13.801 9.204 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.095 15.201 6.536 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -10.653 15.174 5.123 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -11.148 15.682 7.525 1.00 0.00 C ATOM 0 H VAL A 92 -11.341 13.402 7.955 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.111 13.340 6.061 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.264 15.906 6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.026 16.164 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.866 14.886 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.468 14.452 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.510 16.664 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.980 14.978 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.709 15.749 8.520 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.287 14.333 7.605 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.186 14.528 8.541 1.00 0.00 C ATOM 1421 C LEU A 93 -5.187 15.550 8.006 1.00 0.00 C ATOM 1422 O LEU A 93 -4.735 15.453 6.865 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.478 13.200 8.813 1.00 0.00 C ATOM 1424 CG LEU A 93 -4.857 13.069 10.204 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -5.898 13.333 11.280 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.240 11.690 10.383 1.00 0.00 C ATOM 0 H LEU A 93 -7.041 14.488 6.627 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.601 14.909 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.193 12.389 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.694 13.065 8.068 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.068 13.814 10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.438 13.235 12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.294 14.342 11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.710 12.611 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.802 11.614 11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.011 10.928 10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.464 11.539 9.633 1.00 0.00 H new ATOM 1438 N ASP A 94 -4.846 16.528 8.838 1.00 0.00 N ATOM 1439 CA ASP A 94 -3.899 17.567 8.450 1.00 0.00 C ATOM 1440 C ASP A 94 -2.484 17.006 8.365 1.00 0.00 C ATOM 1441 O ASP A 94 -2.069 16.207 9.206 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.943 18.725 9.450 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.873 19.836 9.007 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -6.025 19.532 8.629 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -4.451 21.012 9.039 1.00 0.00 O ATOM 0 H ASP A 94 -5.211 16.623 9.786 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.184 17.936 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.266 18.350 10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.938 19.127 9.581 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.749 17.425 7.341 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.381 16.963 7.144 1.00 0.00 C ATOM 1452 C VAL A 95 0.604 17.704 8.051 1.00 0.00 C ATOM 1453 O VAL A 95 1.441 17.078 8.702 1.00 0.00 O ATOM 1454 CB VAL A 95 0.066 17.124 5.679 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.401 16.433 5.452 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -0.993 16.576 4.735 1.00 0.00 C ATOM 0 H VAL A 95 -2.078 18.084 6.635 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.375 15.905 7.405 1.00 0.00 H new ATOM 0 HB VAL A 95 0.191 18.186 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.702 16.556 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.155 16.875 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.304 15.371 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.660 16.698 3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.152 15.518 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.927 17.119 4.881 1.00 0.00 H new ATOM 1466 N PRO A 96 0.528 19.049 8.107 1.00 0.00 N ATOM 1467 CA PRO A 96 1.428 19.848 8.941 1.00 0.00 C ATOM 1468 C PRO A 96 1.016 19.849 10.409 1.00 0.00 C ATOM 1469 O PRO A 96 0.821 20.906 11.009 1.00 0.00 O ATOM 1470 CB PRO A 96 1.296 21.247 8.344 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.096 21.296 7.815 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.430 19.896 7.367 1.00 0.00 C ATOM 0 HA PRO A 96 2.446 19.459 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.462 22.017 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.027 21.412 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.792 21.634 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.172 21.998 6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.461 19.635 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.314 19.783 6.289 1.00 0.00 H new ATOM 1480 N ALA A 97 0.887 18.656 10.985 1.00 0.00 N ATOM 1481 CA ALA A 97 0.500 18.517 12.387 1.00 0.00 C ATOM 1482 C ALA A 97 0.319 17.050 12.762 1.00 0.00 C ATOM 1483 O ALA A 97 -0.598 16.697 13.502 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.782 19.292 12.663 1.00 0.00 C ATOM 0 H ALA A 97 1.045 17.771 10.502 1.00 0.00 H new ATOM 0 HA ALA A 97 1.301 18.929 13.000 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.057 19.179 13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.624 20.347 12.441 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.584 18.905 12.034 1.00 0.00 H new ATOM 1490 N CYS A 98 1.200 16.198 12.246 1.00 0.00 N ATOM 1491 CA CYS A 98 1.134 14.769 12.528 1.00 0.00 C ATOM 1492 C CYS A 98 2.496 14.110 12.328 1.00 0.00 C ATOM 1493 O CYS A 98 2.923 13.880 11.196 1.00 0.00 O ATOM 1494 CB CYS A 98 0.090 14.100 11.633 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.446 13.670 12.483 1.00 0.00 S ATOM 0 H CYS A 98 1.967 16.472 11.632 1.00 0.00 H new ATOM 0 HA CYS A 98 0.842 14.642 13.570 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.142 14.767 10.803 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.521 13.195 11.205 1.00 0.00 H new ATOM 0 HG CYS A 98 -2.266 13.112 11.642 1.00 0.00 H new ATOM 1501 N GLN A 99 3.169 13.805 13.431 1.00 0.00 N ATOM 1502 CA GLN A 99 4.479 13.168 13.374 1.00 0.00 C ATOM 1503 C GLN A 99 4.342 11.649 13.372 1.00 0.00 C ATOM 1504 O GLN A 99 3.623 11.080 14.191 1.00 0.00 O ATOM 1505 CB GLN A 99 5.341 13.615 14.558 1.00 0.00 C ATOM 1506 CG GLN A 99 4.828 13.128 15.904 1.00 0.00 C ATOM 1507 CD GLN A 99 5.621 13.689 17.069 1.00 0.00 C ATOM 1508 OE1 GLN A 99 5.928 14.880 17.110 1.00 0.00 O ATOM 1509 NE2 GLN A 99 5.957 12.829 18.024 1.00 0.00 N ATOM 0 H GLN A 99 2.829 13.988 14.375 1.00 0.00 H new ATOM 0 HA GLN A 99 4.965 13.473 12.447 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.358 13.251 14.413 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.390 14.704 14.570 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.781 13.410 16.013 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.870 12.039 15.932 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.681 11.850 17.949 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.491 13.148 18.833 1.00 0.00 H new ATOM 1518 N ILE A 100 5.036 10.998 12.444 1.00 0.00 N ATOM 1519 CA ILE A 100 4.990 9.545 12.333 1.00 0.00 C ATOM 1520 C ILE A 100 5.942 8.887 13.326 1.00 0.00 C ATOM 1521 O ILE A 100 6.863 9.526 13.835 1.00 0.00 O ATOM 1522 CB ILE A 100 5.347 9.076 10.910 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.676 9.975 9.868 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.931 7.625 10.712 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.164 9.927 9.912 1.00 0.00 C ATOM 0 H ILE A 100 5.637 11.454 11.758 1.00 0.00 H new ATOM 0 HA ILE A 100 3.967 9.245 12.560 1.00 0.00 H new ATOM 0 HB ILE A 100 6.427 9.146 10.780 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.003 11.003 10.022 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.012 9.679 8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.189 7.307 9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.451 6.996 11.435 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.855 7.532 10.857 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.757 10.588 9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.827 8.907 9.728 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.818 10.252 10.893 1.00 0.00 H new ATOM 1537 N ALA A 101 5.712 7.606 13.597 1.00 0.00 N ATOM 1538 CA ALA A 101 6.550 6.859 14.528 1.00 0.00 C ATOM 1539 C ALA A 101 6.507 5.366 14.223 1.00 0.00 C ATOM 1540 O ALA A 101 5.622 4.652 14.692 1.00 0.00 O ATOM 1541 CB ALA A 101 6.107 7.120 15.961 1.00 0.00 C ATOM 0 H ALA A 101 4.952 7.064 13.185 1.00 0.00 H new ATOM 0 HA ALA A 101 7.579 7.199 14.410 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.741 6.557 16.646 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.192 8.184 16.180 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.070 6.806 16.084 1.00 0.00 H new ATOM 1547 N ILE A 102 7.470 4.901 13.432 1.00 0.00 N ATOM 1548 CA ILE A 102 7.540 3.491 13.062 1.00 0.00 C ATOM 1549 C ILE A 102 7.648 2.604 14.298 1.00 0.00 C ATOM 1550 O ILE A 102 8.178 3.018 15.329 1.00 0.00 O ATOM 1551 CB ILE A 102 8.738 3.212 12.132 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.654 4.088 10.880 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.785 1.738 11.750 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.973 4.230 10.153 1.00 0.00 C ATOM 0 H ILE A 102 8.211 5.479 13.036 1.00 0.00 H new ATOM 0 HA ILE A 102 6.618 3.256 12.531 1.00 0.00 H new ATOM 0 HB ILE A 102 9.656 3.458 12.666 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.916 3.664 10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.295 5.078 11.162 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.637 1.559 11.094 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.887 1.132 12.650 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.865 1.467 11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.839 4.864 9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.708 4.682 10.818 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.323 3.247 9.840 1.00 0.00 H new ATOM 1566 N ARG A 103 7.142 1.382 14.183 1.00 0.00 N ATOM 1567 CA ARG A 103 7.180 0.430 15.284 1.00 0.00 C ATOM 1568 C ARG A 103 7.482 -0.979 14.768 1.00 0.00 C ATOM 1569 O ARG A 103 6.680 -1.561 14.038 1.00 0.00 O ATOM 1570 CB ARG A 103 5.846 0.436 16.036 1.00 0.00 C ATOM 1571 CG ARG A 103 5.853 1.312 17.278 1.00 0.00 C ATOM 1572 CD ARG A 103 4.563 1.163 18.070 1.00 0.00 C ATOM 1573 NE ARG A 103 4.793 1.240 19.510 1.00 0.00 N ATOM 1574 CZ ARG A 103 3.883 0.910 20.424 1.00 0.00 C ATOM 1575 NH1 ARG A 103 2.681 0.487 20.051 1.00 0.00 N ATOM 1576 NH2 ARG A 103 4.173 1.007 21.715 1.00 0.00 N ATOM 0 H ARG A 103 6.699 1.027 13.335 1.00 0.00 H new ATOM 0 HA ARG A 103 7.975 0.728 15.968 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.060 0.780 15.363 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.595 -0.585 16.323 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.701 1.045 17.908 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.986 2.355 16.989 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.863 1.944 17.773 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.097 0.208 17.828 1.00 0.00 H new ATOM 0 HE ARG A 103 5.704 1.565 19.834 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.451 0.414 19.060 1.00 0.00 H new ATOM 0 HH12 ARG A 103 1.988 0.235 20.755 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.094 1.335 22.008 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.475 0.754 22.415 1.00 0.00 H new ATOM 1590 N PRO A 104 8.647 -1.550 15.134 1.00 0.00 N ATOM 1591 CA PRO A 104 9.043 -2.893 14.696 1.00 0.00 C ATOM 1592 C PRO A 104 8.270 -4.006 15.410 1.00 0.00 C ATOM 1593 O PRO A 104 8.628 -5.179 15.311 1.00 0.00 O ATOM 1594 CB PRO A 104 10.537 -2.976 15.058 1.00 0.00 C ATOM 1595 CG PRO A 104 10.930 -1.606 15.509 1.00 0.00 C ATOM 1596 CD PRO A 104 9.674 -0.943 15.989 1.00 0.00 C ATOM 0 HA PRO A 104 8.835 -3.036 13.636 1.00 0.00 H new ATOM 0 HB2 PRO A 104 10.707 -3.710 15.846 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.130 -3.288 14.198 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.671 -1.657 16.306 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.379 -1.042 14.692 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.490 -1.139 17.045 1.00 0.00 H new ATOM 0 HD3 PRO A 104 9.715 0.139 15.868 1.00 0.00 H new ATOM 1604 N GLU A 105 7.211 -3.636 16.127 1.00 0.00 N ATOM 1605 CA GLU A 105 6.398 -4.607 16.851 1.00 0.00 C ATOM 1606 C GLU A 105 4.989 -4.065 17.068 1.00 0.00 C ATOM 1607 O GLU A 105 4.574 -3.817 18.200 1.00 0.00 O ATOM 1608 CB GLU A 105 7.045 -4.947 18.195 1.00 0.00 C ATOM 1609 CG GLU A 105 7.494 -3.724 18.980 1.00 0.00 C ATOM 1610 CD GLU A 105 8.956 -3.790 19.380 1.00 0.00 C ATOM 1611 OE1 GLU A 105 9.320 -4.703 20.150 1.00 0.00 O ATOM 1612 OE2 GLU A 105 9.735 -2.929 18.922 1.00 0.00 O ATOM 0 H GLU A 105 6.897 -2.670 16.221 1.00 0.00 H new ATOM 0 HA GLU A 105 6.334 -5.517 16.254 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.336 -5.515 18.797 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.905 -5.593 18.022 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.326 -2.830 18.380 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.880 -3.627 19.876 1.00 0.00 H new ATOM 1619 N GLY A 106 4.261 -3.878 15.972 1.00 0.00 N ATOM 1620 CA GLY A 106 2.907 -3.360 16.052 1.00 0.00 C ATOM 1621 C GLY A 106 2.057 -4.084 17.078 1.00 0.00 C ATOM 1622 O GLY A 106 2.014 -3.694 18.244 1.00 0.00 O ATOM 0 H GLY A 106 4.586 -4.077 15.026 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.943 -2.300 16.301 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.434 -3.441 15.073 1.00 0.00 H new ATOM 1626 N LYS A 107 1.376 -5.139 16.642 1.00 0.00 N ATOM 1627 CA LYS A 107 0.521 -5.913 17.534 1.00 0.00 C ATOM 1628 C LYS A 107 0.015 -7.180 16.849 1.00 0.00 C ATOM 1629 O LYS A 107 0.202 -7.366 15.648 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.668 -5.063 17.992 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.574 -4.613 19.441 1.00 0.00 C ATOM 1632 CD LYS A 107 -1.409 -3.365 19.689 1.00 0.00 C ATOM 1633 CE LYS A 107 -0.535 -2.129 19.840 1.00 0.00 C ATOM 1634 NZ LYS A 107 -0.371 -1.736 21.267 1.00 0.00 N ATOM 0 H LYS A 107 1.399 -5.476 15.680 1.00 0.00 H new ATOM 0 HA LYS A 107 1.114 -6.204 18.401 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.743 -4.184 17.352 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.586 -5.635 17.857 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.913 -5.416 20.096 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.467 -4.413 19.695 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.104 -3.221 18.862 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.008 -3.500 20.589 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.444 -2.321 19.401 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.977 -1.302 19.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.231 -0.890 21.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.303 -1.528 21.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.074 -2.515 21.793 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.630 -8.043 17.627 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.174 -9.293 17.104 1.00 0.00 C ATOM 1650 C ASN A 108 -0.072 -10.176 16.525 1.00 0.00 C ATOM 1651 O ASN A 108 0.424 -11.083 17.193 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.233 -9.005 16.040 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.563 -8.593 16.643 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -4.334 -9.432 17.108 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -3.839 -7.294 16.637 1.00 0.00 N ATOM 0 H ASN A 108 -0.789 -7.900 18.624 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.637 -9.830 17.931 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.876 -8.214 15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.376 -9.893 15.424 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.719 -6.958 17.028 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.171 -6.633 16.241 1.00 0.00 H new ATOM 1662 N ASN A 109 0.304 -9.911 15.278 1.00 0.00 N ATOM 1663 CA ASN A 109 1.341 -10.687 14.611 1.00 0.00 C ATOM 1664 C ASN A 109 2.011 -9.873 13.507 1.00 0.00 C ATOM 1665 O ASN A 109 2.440 -10.421 12.494 1.00 0.00 O ATOM 1666 CB ASN A 109 0.745 -11.970 14.028 1.00 0.00 C ATOM 1667 CG ASN A 109 1.400 -13.218 14.587 1.00 0.00 C ATOM 1668 OD1 ASN A 109 2.418 -13.682 14.073 1.00 0.00 O ATOM 1669 ND2 ASN A 109 0.815 -13.771 15.644 1.00 0.00 N ATOM 0 H ASN A 109 -0.095 -9.164 14.709 1.00 0.00 H new ATOM 0 HA ASN A 109 2.099 -10.947 15.350 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.324 -11.999 14.238 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.856 -11.959 12.944 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.209 -14.614 16.062 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.028 -13.352 16.038 1.00 0.00 H new ATOM 1676 N ARG A 110 2.097 -8.563 13.713 1.00 0.00 N ATOM 1677 CA ARG A 110 2.716 -7.676 12.735 1.00 0.00 C ATOM 1678 C ARG A 110 3.877 -6.909 13.358 1.00 0.00 C ATOM 1679 O ARG A 110 3.675 -6.030 14.194 1.00 0.00 O ATOM 1680 CB ARG A 110 1.681 -6.697 12.177 1.00 0.00 C ATOM 1681 CG ARG A 110 0.527 -7.376 11.457 1.00 0.00 C ATOM 1682 CD ARG A 110 0.182 -6.666 10.158 1.00 0.00 C ATOM 1683 NE ARG A 110 -1.111 -7.092 9.626 1.00 0.00 N ATOM 1684 CZ ARG A 110 -1.300 -8.229 8.958 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -0.284 -9.054 8.737 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -2.508 -8.540 8.510 1.00 0.00 N ATOM 0 H ARG A 110 1.746 -8.093 14.547 1.00 0.00 H new ATOM 0 HA ARG A 110 3.103 -8.286 11.919 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.284 -6.095 12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.175 -6.012 11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.788 -8.413 11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.348 -7.393 12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.167 -5.589 10.327 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.960 -6.863 9.420 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.916 -6.483 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.648 -8.819 9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.435 -9.923 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.292 -7.909 8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.654 -9.410 7.998 1.00 0.00 H new ATOM 1700 N LEU A 111 5.094 -7.248 12.942 1.00 0.00 N ATOM 1701 CA LEU A 111 6.289 -6.592 13.462 1.00 0.00 C ATOM 1702 C LEU A 111 6.749 -5.471 12.534 1.00 0.00 C ATOM 1703 O LEU A 111 7.921 -5.090 12.540 1.00 0.00 O ATOM 1704 CB LEU A 111 7.415 -7.609 13.647 1.00 0.00 C ATOM 1705 CG LEU A 111 7.790 -8.393 12.389 1.00 0.00 C ATOM 1706 CD1 LEU A 111 9.286 -8.659 12.352 1.00 0.00 C ATOM 1707 CD2 LEU A 111 7.012 -9.700 12.327 1.00 0.00 C ATOM 0 H LEU A 111 5.278 -7.972 12.247 1.00 0.00 H new ATOM 0 HA LEU A 111 6.038 -6.156 14.429 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.301 -7.086 14.009 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.122 -8.316 14.424 1.00 0.00 H new ATOM 0 HG LEU A 111 7.528 -7.794 11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 111 9.534 -9.218 11.450 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.824 -7.711 12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.574 -9.239 13.229 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.290 -10.247 11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.245 -10.304 13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.943 -9.487 12.307 1.00 0.00 H new ATOM 1719 N PHE A 112 5.825 -4.945 11.738 1.00 0.00 N ATOM 1720 CA PHE A 112 6.143 -3.867 10.807 1.00 0.00 C ATOM 1721 C PHE A 112 4.977 -2.889 10.693 1.00 0.00 C ATOM 1722 O PHE A 112 4.323 -2.803 9.654 1.00 0.00 O ATOM 1723 CB PHE A 112 6.487 -4.439 9.430 1.00 0.00 C ATOM 1724 CG PHE A 112 7.963 -4.504 9.158 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.767 -5.403 9.838 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.545 -3.667 8.220 1.00 0.00 C ATOM 1727 CE1 PHE A 112 10.125 -5.467 9.590 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.903 -3.726 7.967 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.693 -4.627 8.652 1.00 0.00 C ATOM 0 H PHE A 112 4.851 -5.246 11.718 1.00 0.00 H new ATOM 0 HA PHE A 112 7.009 -3.328 11.192 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.066 -5.441 9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.011 -3.828 8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.327 -6.063 10.572 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.931 -2.961 7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.741 -6.172 10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 112 10.345 -3.068 7.234 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.754 -4.675 8.455 1.00 0.00 H new ATOM 1739 N VAL A 113 4.725 -2.155 11.769 1.00 0.00 N ATOM 1740 CA VAL A 113 3.640 -1.184 11.795 1.00 0.00 C ATOM 1741 C VAL A 113 4.128 0.169 12.301 1.00 0.00 C ATOM 1742 O VAL A 113 4.940 0.240 13.224 1.00 0.00 O ATOM 1743 CB VAL A 113 2.477 -1.665 12.686 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.301 -0.702 12.605 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.051 -3.074 12.295 1.00 0.00 C ATOM 0 H VAL A 113 5.258 -2.214 12.636 1.00 0.00 H new ATOM 0 HA VAL A 113 3.283 -1.079 10.771 1.00 0.00 H new ATOM 0 HB VAL A 113 2.824 -1.688 13.719 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.492 -1.061 13.241 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.616 0.286 12.941 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.952 -0.640 11.574 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.229 -3.396 12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.725 -3.080 11.255 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.893 -3.755 12.415 1.00 0.00 H new ATOM 1755 N PHE A 114 3.629 1.239 11.693 1.00 0.00 N ATOM 1756 CA PHE A 114 4.014 2.591 12.084 1.00 0.00 C ATOM 1757 C PHE A 114 2.805 3.366 12.595 1.00 0.00 C ATOM 1758 O PHE A 114 1.742 3.359 11.973 1.00 0.00 O ATOM 1759 CB PHE A 114 4.648 3.328 10.904 1.00 0.00 C ATOM 1760 CG PHE A 114 3.732 3.468 9.721 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.491 2.391 8.884 1.00 0.00 C ATOM 1762 CD2 PHE A 114 3.116 4.677 9.446 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.650 2.517 7.795 1.00 0.00 C ATOM 1764 CE2 PHE A 114 2.274 4.810 8.359 1.00 0.00 C ATOM 1765 CZ PHE A 114 2.041 3.728 7.531 1.00 0.00 C ATOM 0 H PHE A 114 2.957 1.197 10.927 1.00 0.00 H new ATOM 0 HA PHE A 114 4.747 2.518 12.888 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.960 4.320 11.231 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.548 2.796 10.595 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.966 1.442 9.085 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.296 5.526 10.089 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.469 1.669 7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.798 5.758 8.156 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.384 3.829 6.680 1.00 0.00 H new ATOM 1775 N SER A 115 2.971 4.029 13.735 1.00 0.00 N ATOM 1776 CA SER A 115 1.890 4.806 14.330 1.00 0.00 C ATOM 1777 C SER A 115 2.180 6.300 14.250 1.00 0.00 C ATOM 1778 O SER A 115 3.302 6.740 14.503 1.00 0.00 O ATOM 1779 CB SER A 115 1.682 4.394 15.789 1.00 0.00 C ATOM 1780 OG SER A 115 0.774 3.312 15.891 1.00 0.00 O ATOM 0 H SER A 115 3.843 4.044 14.265 1.00 0.00 H new ATOM 0 HA SER A 115 0.980 4.602 13.766 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.638 4.113 16.230 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.306 5.243 16.359 1.00 0.00 H new ATOM 0 HG SER A 115 -0.137 3.632 15.722 1.00 0.00 H new ATOM 1786 N ILE A 116 1.159 7.075 13.901 1.00 0.00 N ATOM 1787 CA ILE A 116 1.300 8.521 13.791 1.00 0.00 C ATOM 1788 C ILE A 116 0.760 9.215 15.036 1.00 0.00 C ATOM 1789 O ILE A 116 -0.039 8.642 15.779 1.00 0.00 O ATOM 1790 CB ILE A 116 0.564 9.070 12.554 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.861 8.205 11.326 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.961 10.516 12.298 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.231 7.206 11.014 1.00 0.00 C ATOM 0 H ILE A 116 0.225 6.725 13.689 1.00 0.00 H new ATOM 0 HA ILE A 116 2.365 8.728 13.689 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.508 9.036 12.746 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.008 8.853 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.797 7.670 11.486 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.432 10.889 11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.700 11.124 13.164 1.00 0.00 H new ATOM 0 HG23 ILE A 116 2.036 10.573 12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.046 6.628 10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.363 6.534 11.862 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -1.164 7.735 10.822 1.00 0.00 H new ATOM 1805 N SER A 117 1.200 10.448 15.263 1.00 0.00 N ATOM 1806 CA SER A 117 0.757 11.211 16.423 1.00 0.00 C ATOM 1807 C SER A 117 0.707 12.703 16.108 1.00 0.00 C ATOM 1808 O SER A 117 1.347 13.172 15.168 1.00 0.00 O ATOM 1809 CB SER A 117 1.687 10.961 17.610 1.00 0.00 C ATOM 1810 OG SER A 117 1.448 9.688 18.188 1.00 0.00 O ATOM 0 H SER A 117 1.861 10.939 14.661 1.00 0.00 H new ATOM 0 HA SER A 117 -0.248 10.879 16.681 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.725 11.026 17.283 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.540 11.738 18.361 1.00 0.00 H new ATOM 0 HG SER A 117 0.827 9.183 17.622 1.00 0.00 H new ATOM 1816 N MET A 118 -0.057 13.443 16.906 1.00 0.00 N ATOM 1817 CA MET A 118 -0.191 14.882 16.718 1.00 0.00 C ATOM 1818 C MET A 118 0.438 15.644 17.882 1.00 0.00 C ATOM 1819 O MET A 118 0.555 15.114 18.988 1.00 0.00 O ATOM 1820 CB MET A 118 -1.668 15.264 16.584 1.00 0.00 C ATOM 1821 CG MET A 118 -2.347 14.646 15.372 1.00 0.00 C ATOM 1822 SD MET A 118 -4.130 14.480 15.587 1.00 0.00 S ATOM 1823 CE MET A 118 -4.716 15.905 14.673 1.00 0.00 C ATOM 0 H MET A 118 -0.593 13.069 17.689 1.00 0.00 H new ATOM 0 HA MET A 118 0.334 15.154 15.802 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.198 14.955 17.485 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.750 16.349 16.523 1.00 0.00 H new ATOM 0 HG2 MET A 118 -2.146 15.261 14.495 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.915 13.664 15.179 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.805 15.941 14.713 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.307 16.814 15.114 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.394 15.829 13.635 1.00 0.00 H new ATOM 1833 N PRO A 119 0.852 16.901 17.650 1.00 0.00 N ATOM 1834 CA PRO A 119 1.470 17.733 18.689 1.00 0.00 C ATOM 1835 C PRO A 119 0.494 18.075 19.811 1.00 0.00 C ATOM 1836 O PRO A 119 0.012 19.205 19.904 1.00 0.00 O ATOM 1837 CB PRO A 119 1.890 18.998 17.936 1.00 0.00 C ATOM 1838 CG PRO A 119 1.006 19.043 16.738 1.00 0.00 C ATOM 1839 CD PRO A 119 0.749 17.611 16.362 1.00 0.00 C ATOM 0 HA PRO A 119 2.299 17.223 19.179 1.00 0.00 H new ATOM 0 HB2 PRO A 119 1.763 19.886 18.554 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.941 18.957 17.650 1.00 0.00 H new ATOM 0 HG2 PRO A 119 0.074 19.562 16.960 1.00 0.00 H new ATOM 0 HG3 PRO A 119 1.484 19.582 15.920 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -0.234 17.484 15.910 1.00 0.00 H new ATOM 0 HD3 PRO A 119 1.481 17.246 15.641 1.00 0.00 H new ATOM 1847 N SER A 120 0.209 17.094 20.659 1.00 0.00 N ATOM 1848 CA SER A 120 -0.708 17.287 21.775 1.00 0.00 C ATOM 1849 C SER A 120 -2.085 17.719 21.282 1.00 0.00 C ATOM 1850 O SER A 120 -2.269 18.853 20.836 1.00 0.00 O ATOM 1851 CB SER A 120 -0.150 18.328 22.748 1.00 0.00 C ATOM 1852 OG SER A 120 -0.431 19.645 22.306 1.00 0.00 O ATOM 0 H SER A 120 0.601 16.155 20.594 1.00 0.00 H new ATOM 0 HA SER A 120 -0.812 16.334 22.294 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.582 18.174 23.737 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.928 18.197 22.847 1.00 0.00 H new ATOM 0 HG SER A 120 -0.782 19.615 21.391 1.00 0.00 H new ATOM 1858 N VAL A 121 -3.049 16.809 21.362 1.00 0.00 N ATOM 1859 CA VAL A 121 -4.410 17.097 20.923 1.00 0.00 C ATOM 1860 C VAL A 121 -5.434 16.483 21.871 1.00 0.00 C ATOM 1861 O VAL A 121 -6.168 17.197 22.556 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.664 16.569 19.499 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -6.011 17.050 18.983 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -3.543 16.996 18.563 1.00 0.00 C ATOM 0 H VAL A 121 -2.914 15.866 21.726 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.521 18.181 20.925 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.682 15.480 19.533 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.173 16.667 17.975 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.802 16.689 19.640 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.025 18.140 18.963 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.740 16.614 17.561 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.490 18.084 18.532 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.595 16.596 18.924 1.00 0.00 H new ATOM 1874 N ALA A 122 -5.481 15.154 21.906 1.00 0.00 N ATOM 1875 CA ALA A 122 -6.415 14.444 22.770 1.00 0.00 C ATOM 1876 C ALA A 122 -6.095 12.955 22.820 1.00 0.00 C ATOM 1877 O ALA A 122 -6.989 12.113 22.728 1.00 0.00 O ATOM 1878 CB ALA A 122 -7.843 14.667 22.294 1.00 0.00 C ATOM 0 H ALA A 122 -4.882 14.548 21.345 1.00 0.00 H new ATOM 0 HA ALA A 122 -6.314 14.841 23.780 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.532 14.132 22.947 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.073 15.732 22.319 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.949 14.297 21.274 1.00 0.00 H new ATOM 1884 N GLN A 123 -4.813 12.635 22.968 1.00 0.00 N ATOM 1885 CA GLN A 123 -4.375 11.245 23.030 1.00 0.00 C ATOM 1886 C GLN A 123 -4.719 10.506 21.741 1.00 0.00 C ATOM 1887 O GLN A 123 -5.088 9.332 21.766 1.00 0.00 O ATOM 1888 CB GLN A 123 -5.017 10.538 24.224 1.00 0.00 C ATOM 1889 CG GLN A 123 -4.685 11.179 25.562 1.00 0.00 C ATOM 1890 CD GLN A 123 -4.177 10.178 26.581 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -3.694 9.104 26.224 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -4.284 10.527 27.858 1.00 0.00 N ATOM 0 H GLN A 123 -4.060 13.319 23.047 1.00 0.00 H new ATOM 0 HA GLN A 123 -3.292 11.238 23.152 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.099 10.531 24.093 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -4.691 9.498 24.238 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -3.932 11.953 25.412 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.575 11.671 25.955 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -4.691 11.428 28.108 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -3.959 9.894 28.589 1.00 0.00 H new ATOM 1901 N TRP A 124 -4.595 11.202 20.614 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.892 10.611 19.314 1.00 0.00 C ATOM 1903 C TRP A 124 -3.646 9.967 18.712 1.00 0.00 C ATOM 1904 O TRP A 124 -2.674 10.652 18.395 1.00 0.00 O ATOM 1905 CB TRP A 124 -5.441 11.673 18.361 1.00 0.00 C ATOM 1906 CG TRP A 124 -6.776 12.214 18.777 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -7.117 13.527 18.931 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -7.948 11.455 19.094 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -8.428 13.632 19.322 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.960 12.374 19.430 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -8.242 10.089 19.125 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -10.243 11.970 19.793 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -9.514 9.688 19.485 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -10.502 10.626 19.814 1.00 0.00 C ATOM 0 H TRP A 124 -4.291 12.175 20.576 1.00 0.00 H new ATOM 0 HA TRP A 124 -5.646 9.837 19.458 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -4.728 12.495 18.296 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -5.526 11.245 17.362 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -6.451 14.362 18.769 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.925 14.504 19.503 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -7.487 9.359 18.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -11.005 12.691 20.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -9.751 8.635 19.513 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -11.488 10.281 20.090 1.00 0.00 H new ATOM 1925 N SER A 125 -3.683 8.648 18.557 1.00 0.00 N ATOM 1926 CA SER A 125 -2.558 7.913 17.992 1.00 0.00 C ATOM 1927 C SER A 125 -3.019 6.997 16.862 1.00 0.00 C ATOM 1928 O SER A 125 -3.820 6.087 17.075 1.00 0.00 O ATOM 1929 CB SER A 125 -1.860 7.091 19.078 1.00 0.00 C ATOM 1930 OG SER A 125 -0.463 7.025 18.852 1.00 0.00 O ATOM 0 H SER A 125 -4.480 8.066 18.815 1.00 0.00 H new ATOM 0 HA SER A 125 -1.852 8.637 17.584 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.052 7.536 20.054 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.276 6.084 19.099 1.00 0.00 H new ATOM 0 HG SER A 125 -0.042 6.496 19.561 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.509 7.245 15.660 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.870 6.443 14.497 1.00 0.00 C ATOM 1938 C LEU A 126 -2.008 5.186 14.413 1.00 0.00 C ATOM 1939 O LEU A 126 -0.864 5.175 14.865 1.00 0.00 O ATOM 1940 CB LEU A 126 -2.723 7.270 13.217 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.036 7.787 12.627 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -4.983 6.632 12.342 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.684 8.790 13.570 1.00 0.00 C ATOM 0 H LEU A 126 -1.845 7.995 15.466 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.911 6.137 14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.075 8.122 13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.219 6.662 12.466 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.817 8.291 11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.912 7.018 11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.520 5.949 11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.197 6.100 13.269 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.617 9.148 13.135 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.890 8.310 14.526 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.009 9.632 13.725 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.566 4.130 13.827 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.850 2.868 13.683 1.00 0.00 C ATOM 1957 C ASP A 127 -2.094 2.260 12.303 1.00 0.00 C ATOM 1958 O ASP A 127 -3.226 1.932 11.950 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.282 1.886 14.773 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.105 1.345 15.564 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -0.258 0.648 14.967 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -1.032 1.619 16.780 1.00 0.00 O ATOM 0 H ASP A 127 -3.512 4.124 13.445 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.784 3.067 13.788 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.975 2.383 15.452 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -2.822 1.056 14.317 1.00 0.00 H new ATOM 1967 N VAL A 128 -1.022 2.112 11.531 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.119 1.541 10.192 1.00 0.00 C ATOM 1969 C VAL A 128 0.112 0.707 9.858 1.00 0.00 C ATOM 1970 O VAL A 128 1.192 0.927 10.405 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.281 2.638 9.120 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -2.727 3.107 9.050 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -0.346 3.805 9.399 1.00 0.00 C ATOM 0 H VAL A 128 -0.078 2.379 11.809 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.003 0.903 10.188 1.00 0.00 H new ATOM 0 HB VAL A 128 -1.013 2.215 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.822 3.881 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.371 2.265 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.026 3.511 10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -0.476 4.567 8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.577 4.231 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.686 3.454 9.391 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.059 -0.255 8.956 1.00 0.00 N ATOM 1984 CA ALA A 129 1.038 -1.126 8.550 1.00 0.00 C ATOM 1985 C ALA A 129 0.882 -1.567 7.099 1.00 0.00 C ATOM 1986 O ALA A 129 -0.127 -2.167 6.727 1.00 0.00 O ATOM 1987 CB ALA A 129 1.118 -2.336 9.469 1.00 0.00 C ATOM 0 H ALA A 129 -0.946 -0.451 8.493 1.00 0.00 H new ATOM 0 HA ALA A 129 1.967 -0.562 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.941 -2.978 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.287 -2.004 10.493 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.183 -2.894 9.418 1.00 0.00 H new ATOM 1993 N ALA A 130 1.888 -1.270 6.283 1.00 0.00 N ATOM 1994 CA ALA A 130 1.865 -1.639 4.873 1.00 0.00 C ATOM 1995 C ALA A 130 2.481 -3.017 4.659 1.00 0.00 C ATOM 1996 O ALA A 130 3.573 -3.301 5.151 1.00 0.00 O ATOM 1997 CB ALA A 130 2.596 -0.596 4.042 1.00 0.00 C ATOM 0 H ALA A 130 2.730 -0.774 6.575 1.00 0.00 H new ATOM 0 HA ALA A 130 0.825 -1.680 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.571 -0.885 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.110 0.372 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.632 -0.527 4.374 1.00 0.00 H new ATOM 2003 N ASP A 131 1.776 -3.870 3.921 1.00 0.00 N ATOM 2004 CA ASP A 131 2.256 -5.220 3.642 1.00 0.00 C ATOM 2005 C ASP A 131 3.643 -5.185 3.012 1.00 0.00 C ATOM 2006 O ASP A 131 4.480 -6.049 3.276 1.00 0.00 O ATOM 2007 CB ASP A 131 1.280 -5.950 2.718 1.00 0.00 C ATOM 2008 CG ASP A 131 1.224 -7.439 2.994 1.00 0.00 C ATOM 2009 OD1 ASP A 131 0.455 -7.849 3.887 1.00 0.00 O ATOM 2010 OD2 ASP A 131 1.951 -8.196 2.316 1.00 0.00 O ATOM 0 H ASP A 131 0.871 -3.650 3.506 1.00 0.00 H new ATOM 0 HA ASP A 131 2.321 -5.758 4.588 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.284 -5.524 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.575 -5.787 1.681 1.00 0.00 H new ATOM 2015 N SER A 132 3.880 -4.178 2.179 1.00 0.00 N ATOM 2016 CA SER A 132 5.166 -4.023 1.510 1.00 0.00 C ATOM 2017 C SER A 132 6.106 -3.159 2.338 1.00 0.00 C ATOM 2018 O SER A 132 5.893 -1.955 2.483 1.00 0.00 O ATOM 2019 CB SER A 132 4.970 -3.402 0.125 1.00 0.00 C ATOM 2020 OG SER A 132 4.855 -4.403 -0.872 1.00 0.00 O ATOM 0 H SER A 132 3.197 -3.456 1.951 1.00 0.00 H new ATOM 0 HA SER A 132 5.613 -5.011 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.075 -2.780 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 132 5.811 -2.749 -0.106 1.00 0.00 H new ATOM 0 HG SER A 132 4.729 -3.980 -1.747 1.00 0.00 H new ATOM 2026 N GLN A 133 7.155 -3.778 2.875 1.00 0.00 N ATOM 2027 CA GLN A 133 8.132 -3.059 3.685 1.00 0.00 C ATOM 2028 C GLN A 133 8.584 -1.787 2.974 1.00 0.00 C ATOM 2029 O GLN A 133 8.950 -0.800 3.613 1.00 0.00 O ATOM 2030 CB GLN A 133 9.340 -3.951 3.978 1.00 0.00 C ATOM 2031 CG GLN A 133 10.000 -4.512 2.728 1.00 0.00 C ATOM 2032 CD GLN A 133 10.365 -5.976 2.867 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.540 -6.341 2.839 1.00 0.00 O ATOM 2034 NE2 GLN A 133 9.356 -6.826 3.020 1.00 0.00 N ATOM 0 H GLN A 133 7.349 -4.773 2.764 1.00 0.00 H new ATOM 0 HA GLN A 133 7.659 -2.784 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 133 10.076 -3.378 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.025 -4.778 4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.327 -4.389 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.899 -3.937 2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 133 8.396 -6.481 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 133 9.541 -7.824 3.120 1.00 0.00 H new ATOM 2043 N GLU A 134 8.542 -1.818 1.645 1.00 0.00 N ATOM 2044 CA GLU A 134 8.936 -0.666 0.845 1.00 0.00 C ATOM 2045 C GLU A 134 7.858 0.407 0.894 1.00 0.00 C ATOM 2046 O GLU A 134 8.152 1.597 0.992 1.00 0.00 O ATOM 2047 CB GLU A 134 9.196 -1.085 -0.604 1.00 0.00 C ATOM 2048 CG GLU A 134 9.705 0.049 -1.481 1.00 0.00 C ATOM 2049 CD GLU A 134 8.843 0.269 -2.709 1.00 0.00 C ATOM 2050 OE1 GLU A 134 7.718 0.791 -2.561 1.00 0.00 O ATOM 2051 OE2 GLU A 134 9.292 -0.083 -3.821 1.00 0.00 O ATOM 0 H GLU A 134 8.240 -2.627 1.102 1.00 0.00 H new ATOM 0 HA GLU A 134 9.857 -0.257 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.924 -1.897 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.274 -1.478 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.739 0.968 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.727 -0.168 -1.793 1.00 0.00 H new ATOM 2058 N GLU A 135 6.604 -0.028 0.837 1.00 0.00 N ATOM 2059 CA GLU A 135 5.476 0.891 0.890 1.00 0.00 C ATOM 2060 C GLU A 135 5.382 1.530 2.269 1.00 0.00 C ATOM 2061 O GLU A 135 4.982 2.686 2.405 1.00 0.00 O ATOM 2062 CB GLU A 135 4.173 0.158 0.559 1.00 0.00 C ATOM 2063 CG GLU A 135 3.694 0.384 -0.865 1.00 0.00 C ATOM 2064 CD GLU A 135 2.207 0.134 -1.024 1.00 0.00 C ATOM 2065 OE1 GLU A 135 1.421 1.089 -0.845 1.00 0.00 O ATOM 2066 OE2 GLU A 135 1.827 -1.016 -1.331 1.00 0.00 O ATOM 0 H GLU A 135 6.344 -1.011 0.754 1.00 0.00 H new ATOM 0 HA GLU A 135 5.633 1.675 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.316 -0.911 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.396 0.484 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.921 1.408 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.244 -0.273 -1.538 1.00 0.00 H new ATOM 2073 N LEU A 136 5.763 0.769 3.290 1.00 0.00 N ATOM 2074 CA LEU A 136 5.732 1.260 4.662 1.00 0.00 C ATOM 2075 C LEU A 136 6.764 2.361 4.856 1.00 0.00 C ATOM 2076 O LEU A 136 6.463 3.421 5.404 1.00 0.00 O ATOM 2077 CB LEU A 136 5.990 0.117 5.646 1.00 0.00 C ATOM 2078 CG LEU A 136 5.999 0.524 7.120 1.00 0.00 C ATOM 2079 CD1 LEU A 136 5.235 -0.490 7.960 1.00 0.00 C ATOM 2080 CD2 LEU A 136 7.426 0.669 7.627 1.00 0.00 C ATOM 0 H LEU A 136 6.097 -0.190 3.193 1.00 0.00 H new ATOM 0 HA LEU A 136 4.741 1.671 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.227 -0.647 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.949 -0.341 5.405 1.00 0.00 H new ATOM 0 HG LEU A 136 5.502 1.490 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.253 -0.183 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.202 -0.544 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.702 -1.470 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.411 0.959 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.948 -0.282 7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.942 1.434 7.047 1.00 0.00 H new ATOM 2092 N GLN A 137 7.982 2.104 4.395 1.00 0.00 N ATOM 2093 CA GLN A 137 9.059 3.080 4.509 1.00 0.00 C ATOM 2094 C GLN A 137 8.781 4.279 3.616 1.00 0.00 C ATOM 2095 O GLN A 137 9.000 5.425 4.008 1.00 0.00 O ATOM 2096 CB GLN A 137 10.399 2.444 4.136 1.00 0.00 C ATOM 2097 CG GLN A 137 10.853 1.366 5.108 1.00 0.00 C ATOM 2098 CD GLN A 137 11.037 1.893 6.517 1.00 0.00 C ATOM 2099 OE1 GLN A 137 11.603 2.966 6.723 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.557 1.137 7.499 1.00 0.00 N ATOM 0 H GLN A 137 8.248 1.231 3.940 1.00 0.00 H new ATOM 0 HA GLN A 137 9.111 3.418 5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.322 2.012 3.138 1.00 0.00 H new ATOM 0 HB3 GLN A 137 11.160 3.223 4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 137 10.120 0.559 5.118 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.793 0.939 4.758 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.094 0.254 7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.651 1.440 8.468 1.00 0.00 H new ATOM 2109 N ASP A 138 8.282 4.006 2.416 1.00 0.00 N ATOM 2110 CA ASP A 138 7.954 5.062 1.469 1.00 0.00 C ATOM 2111 C ASP A 138 6.791 5.897 1.993 1.00 0.00 C ATOM 2112 O ASP A 138 6.693 7.092 1.716 1.00 0.00 O ATOM 2113 CB ASP A 138 7.603 4.468 0.104 1.00 0.00 C ATOM 2114 CG ASP A 138 7.852 5.440 -1.032 1.00 0.00 C ATOM 2115 OD1 ASP A 138 7.541 6.638 -0.867 1.00 0.00 O ATOM 2116 OD2 ASP A 138 8.358 5.003 -2.086 1.00 0.00 O ATOM 0 H ASP A 138 8.096 3.062 2.077 1.00 0.00 H new ATOM 0 HA ASP A 138 8.826 5.706 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.192 3.565 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.555 4.170 0.100 1.00 0.00 H new ATOM 2121 N TRP A 139 5.915 5.254 2.763 1.00 0.00 N ATOM 2122 CA TRP A 139 4.761 5.932 3.337 1.00 0.00 C ATOM 2123 C TRP A 139 5.205 6.974 4.353 1.00 0.00 C ATOM 2124 O TRP A 139 4.782 8.129 4.304 1.00 0.00 O ATOM 2125 CB TRP A 139 3.827 4.921 4.008 1.00 0.00 C ATOM 2126 CG TRP A 139 2.600 4.615 3.205 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.558 4.115 1.936 1.00 0.00 C ATOM 2128 CD2 TRP A 139 1.239 4.786 3.616 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.253 3.965 1.532 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.424 4.370 2.545 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.627 5.251 4.784 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -0.964 4.403 2.610 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -0.752 5.283 4.847 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.535 4.861 3.766 1.00 0.00 C ATOM 0 H TRP A 139 5.985 4.265 3.002 1.00 0.00 H new ATOM 0 HA TRP A 139 4.224 6.431 2.531 1.00 0.00 H new ATOM 0 HB2 TRP A 139 4.375 3.996 4.187 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.527 5.307 4.982 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.423 3.873 1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.951 3.610 0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 139 1.223 5.580 5.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.570 4.079 1.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.234 5.639 5.745 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.611 4.898 3.846 1.00 0.00 H new ATOM 2145 N VAL A 140 6.064 6.556 5.274 1.00 0.00 N ATOM 2146 CA VAL A 140 6.572 7.447 6.307 1.00 0.00 C ATOM 2147 C VAL A 140 7.348 8.607 5.696 1.00 0.00 C ATOM 2148 O VAL A 140 7.267 9.742 6.168 1.00 0.00 O ATOM 2149 CB VAL A 140 7.483 6.696 7.298 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.897 7.607 8.444 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.787 5.449 7.823 1.00 0.00 C ATOM 0 H VAL A 140 6.424 5.603 5.326 1.00 0.00 H new ATOM 0 HA VAL A 140 5.708 7.836 6.845 1.00 0.00 H new ATOM 0 HB VAL A 140 8.385 6.387 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.540 7.057 9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.439 8.466 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.009 7.952 8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.445 4.932 8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.867 5.734 8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.549 4.787 6.990 1.00 0.00 H new ATOM 2161 N LYS A 141 8.098 8.315 4.642 1.00 0.00 N ATOM 2162 CA LYS A 141 8.891 9.332 3.963 1.00 0.00 C ATOM 2163 C LYS A 141 7.996 10.338 3.250 1.00 0.00 C ATOM 2164 O LYS A 141 8.277 11.535 3.242 1.00 0.00 O ATOM 2165 CB LYS A 141 9.850 8.682 2.964 1.00 0.00 C ATOM 2166 CG LYS A 141 11.215 8.361 3.552 1.00 0.00 C ATOM 2167 CD LYS A 141 12.323 8.552 2.529 1.00 0.00 C ATOM 2168 CE LYS A 141 13.469 7.581 2.762 1.00 0.00 C ATOM 2169 NZ LYS A 141 14.286 7.382 1.534 1.00 0.00 N ATOM 0 H LYS A 141 8.174 7.382 4.238 1.00 0.00 H new ATOM 0 HA LYS A 141 9.472 9.864 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.401 7.763 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.979 9.348 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.400 9.002 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.224 7.332 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.922 8.409 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 141 12.695 9.575 2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 141 14.105 7.956 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.071 6.622 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 15.057 6.713 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.685 7.001 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 14.687 8.293 1.233 1.00 0.00 H new ATOM 2183 N LYS A 142 6.915 9.848 2.655 1.00 0.00 N ATOM 2184 CA LYS A 142 5.984 10.716 1.946 1.00 0.00 C ATOM 2185 C LYS A 142 5.274 11.639 2.924 1.00 0.00 C ATOM 2186 O LYS A 142 5.287 12.857 2.758 1.00 0.00 O ATOM 2187 CB LYS A 142 4.969 9.887 1.156 1.00 0.00 C ATOM 2188 CG LYS A 142 5.152 9.980 -0.351 1.00 0.00 C ATOM 2189 CD LYS A 142 4.932 8.634 -1.023 1.00 0.00 C ATOM 2190 CE LYS A 142 4.979 8.754 -2.538 1.00 0.00 C ATOM 2191 NZ LYS A 142 5.653 7.586 -3.168 1.00 0.00 N ATOM 0 H LYS A 142 6.663 8.860 2.649 1.00 0.00 H new ATOM 0 HA LYS A 142 6.549 11.326 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.049 8.843 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.963 10.218 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 142 4.453 10.710 -0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 142 6.156 10.340 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 142 5.694 7.930 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 142 3.968 8.227 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 142 3.964 8.840 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 142 5.505 9.668 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 6.129 7.889 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 6.356 7.194 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 4.946 6.857 -3.394 1.00 0.00 H new ATOM 2205 N ILE A 143 4.678 11.060 3.961 1.00 0.00 N ATOM 2206 CA ILE A 143 3.994 11.853 4.971 1.00 0.00 C ATOM 2207 C ILE A 143 4.952 12.899 5.528 1.00 0.00 C ATOM 2208 O ILE A 143 4.554 14.015 5.864 1.00 0.00 O ATOM 2209 CB ILE A 143 3.464 10.978 6.124 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.528 9.896 5.582 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.744 11.834 7.158 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.130 8.868 6.619 1.00 0.00 C ATOM 0 H ILE A 143 4.655 10.053 4.122 1.00 0.00 H new ATOM 0 HA ILE A 143 3.140 12.335 4.496 1.00 0.00 H new ATOM 0 HB ILE A 143 4.312 10.494 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.629 10.369 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 143 3.015 9.390 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.377 11.199 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.435 12.572 7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.904 12.344 6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.466 8.132 6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.022 8.368 6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.615 9.362 7.442 1.00 0.00 H new ATOM 2224 N ARG A 144 6.226 12.525 5.602 1.00 0.00 N ATOM 2225 CA ARG A 144 7.260 13.421 6.094 1.00 0.00 C ATOM 2226 C ARG A 144 7.657 14.423 5.016 1.00 0.00 C ATOM 2227 O ARG A 144 8.080 15.538 5.322 1.00 0.00 O ATOM 2228 CB ARG A 144 8.484 12.623 6.549 1.00 0.00 C ATOM 2229 CG ARG A 144 8.431 12.208 8.011 1.00 0.00 C ATOM 2230 CD ARG A 144 9.145 10.885 8.246 1.00 0.00 C ATOM 2231 NE ARG A 144 10.184 10.997 9.266 1.00 0.00 N ATOM 2232 CZ ARG A 144 9.940 11.014 10.575 1.00 0.00 C ATOM 2233 NH1 ARG A 144 8.694 10.928 11.025 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.944 11.118 11.435 1.00 0.00 N ATOM 0 H ARG A 144 6.565 11.603 5.326 1.00 0.00 H new ATOM 0 HA ARG A 144 6.862 13.969 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.576 11.731 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.380 13.221 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.888 12.983 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.392 12.122 8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.419 10.130 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.590 10.542 7.312 1.00 0.00 H new ATOM 0 HE ARG A 144 11.154 11.066 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 144 7.919 10.848 10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 144 8.512 10.941 12.029 1.00 0.00 H new ATOM 0 HH21 ARG A 144 11.903 11.185 11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.757 11.131 12.438 1.00 0.00 H new ATOM 2248 N GLU A 145 7.518 14.026 3.748 1.00 0.00 N ATOM 2249 CA GLU A 145 7.864 14.908 2.641 1.00 0.00 C ATOM 2250 C GLU A 145 6.799 15.980 2.458 1.00 0.00 C ATOM 2251 O GLU A 145 7.111 17.142 2.197 1.00 0.00 O ATOM 2252 CB GLU A 145 8.030 14.107 1.348 1.00 0.00 C ATOM 2253 CG GLU A 145 8.494 14.946 0.168 1.00 0.00 C ATOM 2254 CD GLU A 145 8.546 14.157 -1.124 1.00 0.00 C ATOM 2255 OE1 GLU A 145 7.619 13.356 -1.369 1.00 0.00 O ATOM 2256 OE2 GLU A 145 9.514 14.339 -1.894 1.00 0.00 O ATOM 0 H GLU A 145 7.172 13.108 3.469 1.00 0.00 H new ATOM 0 HA GLU A 145 8.811 15.393 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.748 13.304 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.079 13.637 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 145 7.822 15.795 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.483 15.351 0.382 1.00 0.00 H new ATOM 2263 N VAL A 146 5.541 15.586 2.614 1.00 0.00 N ATOM 2264 CA VAL A 146 4.431 16.518 2.483 1.00 0.00 C ATOM 2265 C VAL A 146 4.309 17.369 3.741 1.00 0.00 C ATOM 2266 O VAL A 146 3.841 18.506 3.695 1.00 0.00 O ATOM 2267 CB VAL A 146 3.100 15.783 2.223 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.781 14.822 3.358 1.00 0.00 C ATOM 2269 CG2 VAL A 146 1.967 16.778 2.017 1.00 0.00 C ATOM 0 H VAL A 146 5.266 14.628 2.831 1.00 0.00 H new ATOM 0 HA VAL A 146 4.638 17.159 1.626 1.00 0.00 H new ATOM 0 HB VAL A 146 3.207 15.199 1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.838 14.316 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.578 14.084 3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.698 15.377 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.038 16.238 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 146 1.859 17.396 2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.192 17.413 1.160 1.00 0.00 H new ATOM 2279 N ALA A 147 4.747 16.809 4.865 1.00 0.00 N ATOM 2280 CA ALA A 147 4.703 17.511 6.138 1.00 0.00 C ATOM 2281 C ALA A 147 5.786 18.579 6.199 1.00 0.00 C ATOM 2282 O ALA A 147 5.566 19.674 6.717 1.00 0.00 O ATOM 2283 CB ALA A 147 4.867 16.527 7.282 1.00 0.00 C ATOM 0 H ALA A 147 5.137 15.868 4.917 1.00 0.00 H new ATOM 0 HA ALA A 147 3.734 18.001 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.833 17.063 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.061 15.794 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.825 16.016 7.188 1.00 0.00 H new ATOM 2289 N GLN A 148 6.957 18.253 5.662 1.00 0.00 N ATOM 2290 CA GLN A 148 8.075 19.188 5.648 1.00 0.00 C ATOM 2291 C GLN A 148 7.835 20.308 4.643 1.00 0.00 C ATOM 2292 O GLN A 148 8.486 21.351 4.694 1.00 0.00 O ATOM 2293 CB GLN A 148 9.374 18.453 5.316 1.00 0.00 C ATOM 2294 CG GLN A 148 9.955 17.699 6.498 1.00 0.00 C ATOM 2295 CD GLN A 148 11.406 17.310 6.288 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.257 18.161 6.029 1.00 0.00 O ATOM 2297 NE2 GLN A 148 11.693 16.019 6.397 1.00 0.00 N ATOM 0 H GLN A 148 7.156 17.350 5.232 1.00 0.00 H new ATOM 0 HA GLN A 148 8.161 19.631 6.640 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.189 17.752 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.109 19.173 4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.874 18.316 7.393 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.364 16.800 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.955 15.349 6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.652 15.697 6.265 1.00 0.00 H new ATOM 2306 N THR A 149 6.890 20.088 3.734 1.00 0.00 N ATOM 2307 CA THR A 149 6.558 21.084 2.723 1.00 0.00 C ATOM 2308 C THR A 149 5.152 21.636 2.947 1.00 0.00 C ATOM 2309 O THR A 149 4.552 22.218 2.043 1.00 0.00 O ATOM 2310 CB THR A 149 6.665 20.478 1.322 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.458 21.468 0.331 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.672 19.362 1.072 1.00 0.00 C ATOM 0 H THR A 149 6.342 19.230 3.677 1.00 0.00 H new ATOM 0 HA THR A 149 7.270 21.905 2.809 1.00 0.00 H new ATOM 0 HB THR A 149 7.672 20.064 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 149 5.733 22.065 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.803 18.978 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.839 18.559 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.658 19.745 1.186 1.00 0.00 H new ATOM 2320 N ALA A 150 4.633 21.449 4.159 1.00 0.00 N ATOM 2321 CA ALA A 150 3.299 21.930 4.499 1.00 0.00 C ATOM 2322 C ALA A 150 3.358 22.975 5.608 1.00 0.00 C ATOM 2323 O ALA A 150 3.721 22.609 6.746 1.00 0.00 O ATOM 2324 CB ALA A 150 2.409 20.768 4.913 1.00 0.00 C ATOM 2325 OXT ALA A 150 3.041 24.150 5.330 1.00 0.00 O ATOM 0 H ALA A 150 5.116 20.969 4.919 1.00 0.00 H new ATOM 0 HA ALA A 150 2.873 22.402 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.416 21.142 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.332 20.058 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.840 20.271 5.782 1.00 0.00 H new