USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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 Single : A 5 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= -0.0258 USER MOD Single : A 13 SER OG : rot 180:sc= 0.132 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.123 (180deg=-0.59) USER MOD Single : A 20 THR OG1 : rot -40:sc= 0.0247 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0118 (180deg=-0.156) USER MOD Single : A 43 HIS : no HD1:sc= -0.77 K(o=-0.77,f=-5.8!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -124:sc= -0.0166 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 130:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 0:sc= -0.943 USER MOD Single : A 72 ASN : amide:sc= -1.13 K(o=-1.1,f=-2) USER MOD Single : A 76 SER OG : rot 71:sc= 0.0292 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc=-0.00147 X(o=-0.0015,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 0.0309 (180deg=-0.336) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 0:sc= -0.692 USER MOD Single : A 125 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.329) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 3.650 0.364 -2.148 1.00 0.00 N ATOM 19 CA LEU A 2 5.087 0.294 -1.903 1.00 0.00 C ATOM 20 C LEU A 2 5.660 1.681 -1.628 1.00 0.00 C ATOM 21 O LEU A 2 4.934 2.676 -1.629 1.00 0.00 O ATOM 22 CB LEU A 2 5.798 -0.336 -3.102 1.00 0.00 C ATOM 23 CG LEU A 2 6.257 -1.783 -2.925 1.00 0.00 C ATOM 24 CD1 LEU A 2 6.549 -2.420 -4.275 1.00 0.00 C ATOM 25 CD2 LEU A 2 7.484 -1.848 -2.027 1.00 0.00 C ATOM 0 HA LEU A 2 5.252 -0.328 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.129 -0.291 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.669 0.273 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 2 5.452 -2.343 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.874 -3.450 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.646 -2.408 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.336 -1.859 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.796 -2.886 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.294 -1.273 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.242 -1.432 -1.049 1.00 0.00 H new ATOM 37 N LEU A 3 6.966 1.739 -1.394 1.00 0.00 N ATOM 38 CA LEU A 3 7.639 3.004 -1.120 1.00 0.00 C ATOM 39 C LEU A 3 9.040 3.018 -1.722 1.00 0.00 C ATOM 40 O LEU A 3 9.907 3.775 -1.284 1.00 0.00 O ATOM 41 CB LEU A 3 7.717 3.246 0.389 1.00 0.00 C ATOM 42 CG LEU A 3 6.486 3.888 1.030 1.00 0.00 C ATOM 43 CD1 LEU A 3 5.475 2.823 1.427 1.00 0.00 C ATOM 44 CD2 LEU A 3 6.887 4.722 2.238 1.00 0.00 C ATOM 0 H LEU A 3 7.580 0.925 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 3 7.058 3.803 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.902 2.291 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.580 3.881 0.591 1.00 0.00 H new ATOM 0 HG LEU A 3 6.020 4.547 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.606 3.298 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.164 2.268 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.930 2.138 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.998 5.171 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.377 4.084 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.574 5.509 1.925 1.00 0.00 H new ATOM 56 N ILE A 4 9.254 2.177 -2.728 1.00 0.00 N ATOM 57 CA ILE A 4 10.550 2.096 -3.392 1.00 0.00 C ATOM 58 C ILE A 4 10.548 2.882 -4.698 1.00 0.00 C ATOM 59 O ILE A 4 9.519 3.414 -5.116 1.00 0.00 O ATOM 60 CB ILE A 4 10.940 0.635 -3.686 1.00 0.00 C ATOM 61 CG1 ILE A 4 9.911 -0.015 -4.613 1.00 0.00 C ATOM 62 CG2 ILE A 4 11.064 -0.151 -2.389 1.00 0.00 C ATOM 63 CD1 ILE A 4 10.527 -0.899 -5.674 1.00 0.00 C ATOM 0 H ILE A 4 8.548 1.543 -3.101 1.00 0.00 H new ATOM 0 HA ILE A 4 11.282 2.530 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 4 11.908 0.627 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.218 -0.608 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.326 0.766 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.340 -1.181 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.831 0.302 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.110 -0.137 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.739 -1.326 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.198 -0.307 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.089 -1.702 -5.197 1.00 0.00 H new ATOM 75 N THR A 5 11.710 2.952 -5.342 1.00 0.00 N ATOM 76 CA THR A 5 11.843 3.673 -6.601 1.00 0.00 C ATOM 77 C THR A 5 12.202 2.727 -7.741 1.00 0.00 C ATOM 78 O THR A 5 12.954 1.767 -7.570 1.00 0.00 O ATOM 79 CB THR A 5 12.916 4.775 -6.507 1.00 0.00 C ATOM 80 OG1 THR A 5 12.676 5.778 -7.500 1.00 0.00 O ATOM 81 CG2 THR A 5 14.308 4.192 -6.695 1.00 0.00 C ATOM 0 H THR A 5 12.572 2.518 -5.012 1.00 0.00 H new ATOM 0 HA THR A 5 10.876 4.133 -6.805 1.00 0.00 H new ATOM 0 HB THR A 5 12.858 5.224 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.361 6.476 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.049 4.989 -6.625 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.499 3.449 -5.920 1.00 0.00 H new ATOM 0 HG23 THR A 5 14.375 3.720 -7.675 1.00 0.00 H new ATOM 89 N PRO A 6 11.653 3.000 -8.934 1.00 0.00 N ATOM 90 CA PRO A 6 11.903 2.185 -10.126 1.00 0.00 C ATOM 91 C PRO A 6 13.331 2.331 -10.640 1.00 0.00 C ATOM 92 O PRO A 6 13.764 1.585 -11.519 1.00 0.00 O ATOM 93 CB PRO A 6 10.907 2.738 -11.149 1.00 0.00 C ATOM 94 CG PRO A 6 10.654 4.139 -10.711 1.00 0.00 C ATOM 95 CD PRO A 6 10.747 4.128 -9.211 1.00 0.00 C ATOM 0 HA PRO A 6 11.782 1.121 -9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.317 2.707 -12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.986 2.154 -11.161 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.387 4.821 -11.142 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.671 4.479 -11.038 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.145 5.067 -8.826 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.771 3.982 -8.749 1.00 0.00 H new ATOM 103 N ASP A 7 14.058 3.296 -10.087 1.00 0.00 N ATOM 104 CA ASP A 7 15.439 3.538 -10.489 1.00 0.00 C ATOM 105 C ASP A 7 16.380 2.534 -9.831 1.00 0.00 C ATOM 106 O ASP A 7 17.419 2.186 -10.391 1.00 0.00 O ATOM 107 CB ASP A 7 15.856 4.963 -10.121 1.00 0.00 C ATOM 108 CG ASP A 7 16.833 5.555 -11.118 1.00 0.00 C ATOM 109 OD1 ASP A 7 16.884 6.798 -11.233 1.00 0.00 O ATOM 110 OD2 ASP A 7 17.548 4.776 -11.782 1.00 0.00 O ATOM 0 H ASP A 7 13.714 3.923 -9.360 1.00 0.00 H new ATOM 0 HA ASP A 7 15.504 3.415 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.970 5.595 -10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 7 16.309 4.962 -9.130 1.00 0.00 H new ATOM 115 N GLU A 8 16.009 2.074 -8.641 1.00 0.00 N ATOM 116 CA GLU A 8 16.822 1.111 -7.907 1.00 0.00 C ATOM 117 C GLU A 8 16.699 -0.282 -8.518 1.00 0.00 C ATOM 118 O GLU A 8 17.659 -1.054 -8.531 1.00 0.00 O ATOM 119 CB GLU A 8 16.405 1.073 -6.436 1.00 0.00 C ATOM 120 CG GLU A 8 17.424 1.697 -5.498 1.00 0.00 C ATOM 121 CD GLU A 8 18.722 0.914 -5.443 1.00 0.00 C ATOM 122 OE1 GLU A 8 18.752 -0.221 -5.962 1.00 0.00 O ATOM 123 OE2 GLU A 8 19.708 1.437 -4.882 1.00 0.00 O ATOM 0 H GLU A 8 15.151 2.352 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 8 17.863 1.428 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.454 1.593 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.239 0.037 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.633 2.717 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.999 1.760 -4.496 1.00 0.00 H new ATOM 130 N LEU A 9 15.512 -0.598 -9.023 1.00 0.00 N ATOM 131 CA LEU A 9 15.261 -1.898 -9.635 1.00 0.00 C ATOM 132 C LEU A 9 16.269 -2.180 -10.745 1.00 0.00 C ATOM 133 O LEU A 9 16.853 -3.262 -10.808 1.00 0.00 O ATOM 134 CB LEU A 9 13.839 -1.954 -10.195 1.00 0.00 C ATOM 135 CG LEU A 9 13.597 -2.970 -11.312 1.00 0.00 C ATOM 136 CD1 LEU A 9 13.972 -4.370 -10.851 1.00 0.00 C ATOM 137 CD2 LEU A 9 12.146 -2.927 -11.768 1.00 0.00 C ATOM 0 H LEU A 9 14.707 0.029 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 9 15.372 -2.662 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.156 -2.176 -9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.578 -0.964 -10.569 1.00 0.00 H new ATOM 0 HG LEU A 9 14.230 -2.707 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.793 -5.079 -11.659 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.026 -4.392 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 9 13.366 -4.643 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.993 -3.657 -12.563 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.493 -3.164 -10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.911 -1.930 -12.140 1.00 0.00 H new ATOM 149 N LYS A 10 16.469 -1.199 -11.618 1.00 0.00 N ATOM 150 CA LYS A 10 17.409 -1.339 -12.724 1.00 0.00 C ATOM 151 C LYS A 10 18.848 -1.348 -12.218 1.00 0.00 C ATOM 152 O LYS A 10 19.693 -2.077 -12.737 1.00 0.00 O ATOM 153 CB LYS A 10 17.218 -0.201 -13.730 1.00 0.00 C ATOM 154 CG LYS A 10 17.321 1.182 -13.109 1.00 0.00 C ATOM 155 CD LYS A 10 17.182 2.275 -14.156 1.00 0.00 C ATOM 156 CE LYS A 10 15.727 2.494 -14.542 1.00 0.00 C ATOM 157 NZ LYS A 10 15.540 2.504 -16.019 1.00 0.00 N ATOM 0 H LYS A 10 15.993 -0.298 -11.581 1.00 0.00 H new ATOM 0 HA LYS A 10 17.210 -2.290 -13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 10 17.966 -0.294 -14.517 1.00 0.00 H new ATOM 0 HB3 LYS A 10 16.242 -0.306 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.545 1.301 -12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.280 1.283 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.602 3.205 -13.771 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.758 2.008 -15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.113 1.707 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.379 3.439 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.535 2.656 -16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.106 3.271 -16.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 15.848 1.593 -16.414 1.00 0.00 H new ATOM 171 N SER A 11 19.118 -0.536 -11.202 1.00 0.00 N ATOM 172 CA SER A 11 20.456 -0.450 -10.627 1.00 0.00 C ATOM 173 C SER A 11 20.885 -1.794 -10.047 1.00 0.00 C ATOM 174 O SER A 11 22.077 -2.092 -9.959 1.00 0.00 O ATOM 175 CB SER A 11 20.498 0.625 -9.539 1.00 0.00 C ATOM 176 OG SER A 11 21.544 1.551 -9.776 1.00 0.00 O ATOM 0 H SER A 11 18.429 0.072 -10.760 1.00 0.00 H new ATOM 0 HA SER A 11 21.150 -0.179 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.544 1.151 -9.506 1.00 0.00 H new ATOM 0 HB3 SER A 11 20.637 0.156 -8.565 1.00 0.00 H new ATOM 0 HG SER A 11 21.548 2.228 -9.068 1.00 0.00 H new ATOM 182 N TYR A 12 19.907 -2.601 -9.653 1.00 0.00 N ATOM 183 CA TYR A 12 20.182 -3.912 -9.079 1.00 0.00 C ATOM 184 C TYR A 12 19.980 -5.014 -10.115 1.00 0.00 C ATOM 185 O TYR A 12 20.565 -6.092 -10.013 1.00 0.00 O ATOM 186 CB TYR A 12 19.280 -4.163 -7.869 1.00 0.00 C ATOM 187 CG TYR A 12 19.646 -5.404 -7.087 1.00 0.00 C ATOM 188 CD1 TYR A 12 20.821 -5.462 -6.347 1.00 0.00 C ATOM 189 CD2 TYR A 12 18.818 -6.520 -7.090 1.00 0.00 C ATOM 190 CE1 TYR A 12 21.159 -6.594 -5.632 1.00 0.00 C ATOM 191 CE2 TYR A 12 19.148 -7.656 -6.376 1.00 0.00 C ATOM 192 CZ TYR A 12 20.320 -7.688 -5.649 1.00 0.00 C ATOM 193 OH TYR A 12 20.653 -8.818 -4.938 1.00 0.00 O ATOM 0 H TYR A 12 18.916 -2.370 -9.721 1.00 0.00 H new ATOM 0 HA TYR A 12 21.223 -3.927 -8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 12 19.327 -3.299 -7.206 1.00 0.00 H new ATOM 0 HB3 TYR A 12 18.248 -4.249 -8.208 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.481 -4.607 -6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 12 17.901 -6.499 -7.660 1.00 0.00 H new ATOM 0 HE1 TYR A 12 22.076 -6.622 -5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 12 18.492 -8.514 -6.387 1.00 0.00 H new ATOM 0 HH TYR A 12 21.182 -8.566 -4.152 1.00 0.00 H new ATOM 203 N SER A 13 19.147 -4.734 -11.112 1.00 0.00 N ATOM 204 CA SER A 13 18.864 -5.701 -12.166 1.00 0.00 C ATOM 205 C SER A 13 19.930 -5.645 -13.255 1.00 0.00 C ATOM 206 O SER A 13 20.627 -4.641 -13.407 1.00 0.00 O ATOM 207 CB SER A 13 17.485 -5.436 -12.773 1.00 0.00 C ATOM 208 OG SER A 13 17.364 -6.042 -14.048 1.00 0.00 O ATOM 0 H SER A 13 18.656 -3.845 -11.212 1.00 0.00 H new ATOM 0 HA SER A 13 18.873 -6.697 -11.723 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.712 -5.822 -12.109 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.323 -4.362 -12.861 1.00 0.00 H new ATOM 0 HG SER A 13 16.473 -5.859 -14.414 1.00 0.00 H new ATOM 214 N VAL A 14 20.052 -6.731 -14.011 1.00 0.00 N ATOM 215 CA VAL A 14 21.033 -6.807 -15.088 1.00 0.00 C ATOM 216 C VAL A 14 20.372 -7.192 -16.407 1.00 0.00 C ATOM 217 O VAL A 14 21.019 -7.733 -17.303 1.00 0.00 O ATOM 218 CB VAL A 14 22.142 -7.826 -14.766 1.00 0.00 C ATOM 219 CG1 VAL A 14 22.811 -7.487 -13.443 1.00 0.00 C ATOM 220 CG2 VAL A 14 21.577 -9.238 -14.741 1.00 0.00 C ATOM 0 H VAL A 14 19.484 -7.571 -13.898 1.00 0.00 H new ATOM 0 HA VAL A 14 21.477 -5.816 -15.183 1.00 0.00 H new ATOM 0 HB VAL A 14 22.897 -7.775 -15.551 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.592 -8.218 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 14 23.252 -6.492 -13.503 1.00 0.00 H new ATOM 0 HG13 VAL A 14 22.069 -7.508 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 14 22.374 -9.945 -14.512 1.00 0.00 H new ATOM 0 HG22 VAL A 14 20.801 -9.306 -13.978 1.00 0.00 H new ATOM 0 HG23 VAL A 14 21.150 -9.476 -15.715 1.00 0.00 H new ATOM 230 N PHE A 15 19.079 -6.907 -16.519 1.00 0.00 N ATOM 231 CA PHE A 15 18.329 -7.224 -17.729 1.00 0.00 C ATOM 232 C PHE A 15 17.916 -5.950 -18.462 1.00 0.00 C ATOM 233 O PHE A 15 17.377 -5.023 -17.860 1.00 0.00 O ATOM 234 CB PHE A 15 17.089 -8.051 -17.385 1.00 0.00 C ATOM 235 CG PHE A 15 17.167 -9.474 -17.859 1.00 0.00 C ATOM 236 CD1 PHE A 15 17.424 -9.761 -19.190 1.00 0.00 C ATOM 237 CD2 PHE A 15 16.982 -10.524 -16.974 1.00 0.00 C ATOM 238 CE1 PHE A 15 17.497 -11.070 -19.630 1.00 0.00 C ATOM 239 CE2 PHE A 15 17.055 -11.835 -17.408 1.00 0.00 C ATOM 240 CZ PHE A 15 17.311 -12.108 -18.738 1.00 0.00 C ATOM 0 H PHE A 15 18.529 -6.457 -15.787 1.00 0.00 H new ATOM 0 HA PHE A 15 18.976 -7.807 -18.384 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.946 -8.044 -16.305 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.212 -7.577 -17.826 1.00 0.00 H new ATOM 0 HD1 PHE A 15 17.569 -8.953 -19.892 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.779 -10.316 -15.934 1.00 0.00 H new ATOM 0 HE1 PHE A 15 17.699 -11.280 -20.670 1.00 0.00 H new ATOM 0 HE2 PHE A 15 16.912 -12.645 -16.708 1.00 0.00 H new ATOM 0 HZ PHE A 15 17.366 -13.131 -19.080 1.00 0.00 H new ATOM 250 N GLU A 16 18.176 -5.914 -19.765 1.00 0.00 N ATOM 251 CA GLU A 16 17.833 -4.754 -20.580 1.00 0.00 C ATOM 252 C GLU A 16 16.320 -4.616 -20.720 1.00 0.00 C ATOM 253 O GLU A 16 15.816 -3.565 -21.117 1.00 0.00 O ATOM 254 CB GLU A 16 18.476 -4.867 -21.964 1.00 0.00 C ATOM 255 CG GLU A 16 18.633 -3.532 -22.673 1.00 0.00 C ATOM 256 CD GLU A 16 20.061 -3.266 -23.106 1.00 0.00 C ATOM 257 OE1 GLU A 16 20.935 -3.141 -22.222 1.00 0.00 O ATOM 258 OE2 GLU A 16 20.306 -3.182 -24.328 1.00 0.00 O ATOM 0 H GLU A 16 18.623 -6.674 -20.279 1.00 0.00 H new ATOM 0 HA GLU A 16 18.217 -3.865 -20.080 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.456 -5.333 -21.863 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.871 -5.529 -22.584 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.982 -3.510 -23.547 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.303 -2.732 -22.010 1.00 0.00 H new ATOM 265 N SER A 17 15.601 -5.685 -20.393 1.00 0.00 N ATOM 266 CA SER A 17 14.146 -5.685 -20.486 1.00 0.00 C ATOM 267 C SER A 17 13.536 -4.724 -19.471 1.00 0.00 C ATOM 268 O SER A 17 12.631 -3.953 -19.793 1.00 0.00 O ATOM 269 CB SER A 17 13.600 -7.097 -20.261 1.00 0.00 C ATOM 270 OG SER A 17 14.308 -8.048 -21.037 1.00 0.00 O ATOM 0 H SER A 17 16.002 -6.562 -20.061 1.00 0.00 H new ATOM 0 HA SER A 17 13.871 -5.351 -21.486 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.676 -7.356 -19.205 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.542 -7.127 -20.521 1.00 0.00 H new ATOM 0 HG SER A 17 13.941 -8.942 -20.874 1.00 0.00 H new ATOM 276 N VAL A 18 14.038 -4.775 -18.241 1.00 0.00 N ATOM 277 CA VAL A 18 13.545 -3.909 -17.177 1.00 0.00 C ATOM 278 C VAL A 18 14.098 -2.495 -17.318 1.00 0.00 C ATOM 279 O VAL A 18 13.441 -1.519 -16.955 1.00 0.00 O ATOM 280 CB VAL A 18 13.918 -4.458 -15.787 1.00 0.00 C ATOM 281 CG1 VAL A 18 13.451 -3.508 -14.695 1.00 0.00 C ATOM 282 CG2 VAL A 18 13.326 -5.845 -15.587 1.00 0.00 C ATOM 0 H VAL A 18 14.786 -5.407 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 18 12.459 -3.882 -17.269 1.00 0.00 H new ATOM 0 HB VAL A 18 15.003 -4.538 -15.726 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.723 -3.912 -13.720 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.926 -2.536 -14.830 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.368 -3.393 -14.751 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.599 -6.218 -14.600 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.240 -5.792 -15.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.714 -6.520 -16.350 1.00 0.00 H new ATOM 292 N LYS A 19 15.313 -2.392 -17.848 1.00 0.00 N ATOM 293 CA LYS A 19 15.956 -1.097 -18.039 1.00 0.00 C ATOM 294 C LYS A 19 15.234 -0.283 -19.108 1.00 0.00 C ATOM 295 O LYS A 19 15.064 0.929 -18.971 1.00 0.00 O ATOM 296 CB LYS A 19 17.423 -1.288 -18.432 1.00 0.00 C ATOM 297 CG LYS A 19 18.380 -1.239 -17.253 1.00 0.00 C ATOM 298 CD LYS A 19 18.690 -2.630 -16.728 1.00 0.00 C ATOM 299 CE LYS A 19 19.923 -2.628 -15.838 1.00 0.00 C ATOM 300 NZ LYS A 19 21.148 -2.235 -16.588 1.00 0.00 N ATOM 0 H LYS A 19 15.871 -3.189 -18.153 1.00 0.00 H new ATOM 0 HA LYS A 19 15.906 -0.551 -17.097 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.533 -2.247 -18.939 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.702 -0.515 -19.148 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.305 -0.748 -17.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.945 -0.637 -16.455 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.835 -3.007 -16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.846 -3.310 -17.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.770 -1.940 -15.007 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.063 -3.620 -15.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 21.989 -2.591 -16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.115 -2.641 -17.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.197 -1.198 -16.654 1.00 0.00 H new ATOM 314 N THR A 20 14.810 -0.957 -20.173 1.00 0.00 N ATOM 315 CA THR A 20 14.106 -0.296 -21.265 1.00 0.00 C ATOM 316 C THR A 20 12.788 0.303 -20.786 1.00 0.00 C ATOM 317 O THR A 20 12.193 1.139 -21.466 1.00 0.00 O ATOM 318 CB THR A 20 13.823 -1.272 -22.422 1.00 0.00 C ATOM 319 OG1 THR A 20 13.516 -0.541 -23.615 1.00 0.00 O ATOM 320 CG2 THR A 20 12.668 -2.200 -22.078 1.00 0.00 C ATOM 0 H THR A 20 14.942 -1.960 -20.302 1.00 0.00 H new ATOM 0 HA THR A 20 14.756 0.502 -21.624 1.00 0.00 H new ATOM 0 HB THR A 20 14.716 -1.876 -22.585 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.948 0.226 -23.392 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.487 -2.880 -22.911 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.917 -2.776 -21.187 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.771 -1.610 -21.890 1.00 0.00 H new ATOM 328 N ARG A 21 12.338 -0.130 -19.613 1.00 0.00 N ATOM 329 CA ARG A 21 11.090 0.364 -19.044 1.00 0.00 C ATOM 330 C ARG A 21 11.328 1.632 -18.230 1.00 0.00 C ATOM 331 O ARG A 21 12.170 1.674 -17.332 1.00 0.00 O ATOM 332 CB ARG A 21 10.447 -0.708 -18.163 1.00 0.00 C ATOM 333 CG ARG A 21 10.796 -2.128 -18.578 1.00 0.00 C ATOM 334 CD ARG A 21 9.949 -3.150 -17.836 1.00 0.00 C ATOM 335 NE ARG A 21 8.665 -3.376 -18.492 1.00 0.00 N ATOM 336 CZ ARG A 21 7.603 -3.884 -17.875 1.00 0.00 C ATOM 337 NH1 ARG A 21 7.674 -4.215 -16.593 1.00 0.00 N ATOM 338 NH2 ARG A 21 6.469 -4.061 -18.540 1.00 0.00 N ATOM 0 H ARG A 21 12.819 -0.822 -19.038 1.00 0.00 H new ATOM 0 HA ARG A 21 10.414 0.602 -19.866 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.760 -0.553 -17.130 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.364 -0.587 -18.190 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.647 -2.241 -19.652 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.851 -2.317 -18.381 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.493 -4.092 -17.770 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.779 -2.808 -16.815 1.00 0.00 H new ATOM 0 HE ARG A 21 8.578 -3.131 -19.478 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.545 -4.080 -16.079 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.858 -4.605 -16.121 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.411 -3.807 -19.526 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.655 -4.451 -18.065 1.00 0.00 H new ATOM 352 N PRO A 22 10.570 2.692 -18.548 1.00 0.00 N ATOM 353 CA PRO A 22 10.680 3.980 -17.858 1.00 0.00 C ATOM 354 C PRO A 22 10.162 3.917 -16.425 1.00 0.00 C ATOM 355 O PRO A 22 9.889 2.837 -15.901 1.00 0.00 O ATOM 356 CB PRO A 22 9.806 4.911 -18.702 1.00 0.00 C ATOM 357 CG PRO A 22 8.823 4.009 -19.365 1.00 0.00 C ATOM 358 CD PRO A 22 9.547 2.714 -19.607 1.00 0.00 C ATOM 0 HA PRO A 22 11.716 4.308 -17.771 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.305 5.655 -18.082 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.401 5.456 -19.435 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.948 3.855 -18.734 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.469 4.439 -20.302 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.875 1.859 -19.535 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.996 2.684 -20.600 1.00 0.00 H new ATOM 366 N ASP A 23 10.027 5.080 -15.798 1.00 0.00 N ATOM 367 CA ASP A 23 9.539 5.156 -14.426 1.00 0.00 C ATOM 368 C ASP A 23 8.029 4.943 -14.373 1.00 0.00 C ATOM 369 O ASP A 23 7.490 4.505 -13.357 1.00 0.00 O ATOM 370 CB ASP A 23 9.897 6.509 -13.809 1.00 0.00 C ATOM 371 CG ASP A 23 11.305 6.949 -14.157 1.00 0.00 C ATOM 372 OD1 ASP A 23 11.472 8.101 -14.611 1.00 0.00 O ATOM 373 OD2 ASP A 23 12.241 6.142 -13.974 1.00 0.00 O ATOM 0 H ASP A 23 10.249 5.983 -16.218 1.00 0.00 H new ATOM 0 HA ASP A 23 10.020 4.364 -13.852 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.188 7.262 -14.155 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.795 6.449 -12.725 1.00 0.00 H new ATOM 378 N GLU A 24 7.353 5.256 -15.474 1.00 0.00 N ATOM 379 CA GLU A 24 5.906 5.100 -15.552 1.00 0.00 C ATOM 380 C GLU A 24 5.522 3.626 -15.651 1.00 0.00 C ATOM 381 O GLU A 24 4.570 3.176 -15.012 1.00 0.00 O ATOM 382 CB GLU A 24 5.352 5.865 -16.755 1.00 0.00 C ATOM 383 CG GLU A 24 5.952 5.431 -18.082 1.00 0.00 C ATOM 384 CD GLU A 24 5.485 6.288 -19.242 1.00 0.00 C ATOM 385 OE1 GLU A 24 4.554 5.862 -19.956 1.00 0.00 O ATOM 386 OE2 GLU A 24 6.052 7.384 -19.436 1.00 0.00 O ATOM 0 H GLU A 24 7.785 5.619 -16.324 1.00 0.00 H new ATOM 0 HA GLU A 24 5.473 5.510 -14.640 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.271 5.731 -16.794 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.536 6.930 -16.614 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.039 5.476 -18.017 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.687 4.391 -18.274 1.00 0.00 H new ATOM 393 N LEU A 25 6.269 2.880 -16.458 1.00 0.00 N ATOM 394 CA LEU A 25 6.007 1.457 -16.643 1.00 0.00 C ATOM 395 C LEU A 25 6.504 0.652 -15.446 1.00 0.00 C ATOM 396 O LEU A 25 5.765 -0.150 -14.873 1.00 0.00 O ATOM 397 CB LEU A 25 6.680 0.957 -17.922 1.00 0.00 C ATOM 398 CG LEU A 25 5.928 1.228 -19.226 1.00 0.00 C ATOM 399 CD1 LEU A 25 6.729 0.729 -20.418 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.553 0.577 -19.194 1.00 0.00 C ATOM 0 H LEU A 25 7.060 3.237 -16.994 1.00 0.00 H new ATOM 0 HA LEU A 25 4.929 1.319 -16.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.666 1.415 -17.993 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.834 -0.118 -17.831 1.00 0.00 H new ATOM 0 HG LEU A 25 5.795 2.305 -19.329 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.178 0.931 -21.337 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.690 1.242 -20.451 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.894 -0.344 -20.322 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.032 0.780 -20.130 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.663 -0.500 -19.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.977 0.984 -18.363 1.00 0.00 H new ATOM 412 N LEU A 26 7.759 0.873 -15.071 1.00 0.00 N ATOM 413 CA LEU A 26 8.355 0.169 -13.940 1.00 0.00 C ATOM 414 C LEU A 26 7.448 0.241 -12.716 1.00 0.00 C ATOM 415 O LEU A 26 7.231 -0.759 -12.031 1.00 0.00 O ATOM 416 CB LEU A 26 9.725 0.763 -13.609 1.00 0.00 C ATOM 417 CG LEU A 26 10.884 0.315 -14.501 1.00 0.00 C ATOM 418 CD1 LEU A 26 12.176 0.998 -14.080 1.00 0.00 C ATOM 419 CD2 LEU A 26 11.038 -1.198 -14.454 1.00 0.00 C ATOM 0 H LEU A 26 8.384 1.534 -15.533 1.00 0.00 H new ATOM 0 HA LEU A 26 8.477 -0.878 -14.218 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.650 1.849 -13.663 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.968 0.511 -12.577 1.00 0.00 H new ATOM 0 HG LEU A 26 10.662 0.606 -15.528 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.990 0.667 -14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.061 2.079 -14.166 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.405 0.738 -13.046 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.867 -1.499 -15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.238 -1.512 -13.429 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.119 -1.668 -14.805 1.00 0.00 H new ATOM 431 N LYS A 27 6.919 1.430 -12.447 1.00 0.00 N ATOM 432 CA LYS A 27 6.032 1.632 -11.307 1.00 0.00 C ATOM 433 C LYS A 27 4.884 0.628 -11.326 1.00 0.00 C ATOM 434 O LYS A 27 4.598 -0.018 -10.318 1.00 0.00 O ATOM 435 CB LYS A 27 5.476 3.058 -11.314 1.00 0.00 C ATOM 436 CG LYS A 27 6.276 4.027 -10.460 1.00 0.00 C ATOM 437 CD LYS A 27 6.151 5.453 -10.969 1.00 0.00 C ATOM 438 CE LYS A 27 5.137 6.247 -10.160 1.00 0.00 C ATOM 439 NZ LYS A 27 5.737 7.475 -9.570 1.00 0.00 N ATOM 0 H LYS A 27 7.089 2.268 -13.003 1.00 0.00 H new ATOM 0 HA LYS A 27 6.611 1.478 -10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.453 3.425 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.446 3.039 -10.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.929 3.976 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.325 3.731 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.123 5.945 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.853 5.441 -12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.299 6.524 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.737 5.620 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.014 7.988 -9.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.521 7.210 -8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.096 8.086 -10.331 1.00 0.00 H new ATOM 453 N GLN A 28 4.232 0.503 -12.477 1.00 0.00 N ATOM 454 CA GLN A 28 3.116 -0.424 -12.625 1.00 0.00 C ATOM 455 C GLN A 28 3.524 -1.837 -12.222 1.00 0.00 C ATOM 456 O GLN A 28 2.785 -2.531 -11.524 1.00 0.00 O ATOM 457 CB GLN A 28 2.610 -0.419 -14.069 1.00 0.00 C ATOM 458 CG GLN A 28 1.435 0.519 -14.299 1.00 0.00 C ATOM 459 CD GLN A 28 0.467 -0.003 -15.342 1.00 0.00 C ATOM 460 OE1 GLN A 28 -0.700 -0.260 -15.049 1.00 0.00 O ATOM 461 NE2 GLN A 28 0.949 -0.162 -16.569 1.00 0.00 N ATOM 0 H GLN A 28 4.457 1.031 -13.320 1.00 0.00 H new ATOM 0 HA GLN A 28 2.314 -0.095 -11.965 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.428 -0.133 -14.731 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.316 -1.431 -14.346 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.904 0.668 -13.359 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.809 1.494 -14.612 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.924 0.064 -16.767 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.345 -0.510 -17.313 1.00 0.00 H new ATOM 470 N ASP A 29 4.704 -2.256 -12.666 1.00 0.00 N ATOM 471 CA ASP A 29 5.211 -3.586 -12.350 1.00 0.00 C ATOM 472 C ASP A 29 5.562 -3.697 -10.870 1.00 0.00 C ATOM 473 O ASP A 29 5.277 -4.709 -10.229 1.00 0.00 O ATOM 474 CB ASP A 29 6.440 -3.903 -13.204 1.00 0.00 C ATOM 475 CG ASP A 29 6.988 -5.291 -12.938 1.00 0.00 C ATOM 476 OD1 ASP A 29 7.869 -5.424 -12.064 1.00 0.00 O ATOM 477 OD2 ASP A 29 6.534 -6.245 -13.604 1.00 0.00 O ATOM 0 H ASP A 29 5.327 -1.694 -13.246 1.00 0.00 H new ATOM 0 HA ASP A 29 4.427 -4.309 -12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.178 -3.815 -14.258 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.217 -3.165 -13.005 1.00 0.00 H new ATOM 482 N ILE A 30 6.183 -2.651 -10.335 1.00 0.00 N ATOM 483 CA ILE A 30 6.573 -2.632 -8.930 1.00 0.00 C ATOM 484 C ILE A 30 5.362 -2.814 -8.021 1.00 0.00 C ATOM 485 O ILE A 30 5.446 -3.471 -6.982 1.00 0.00 O ATOM 486 CB ILE A 30 7.284 -1.316 -8.562 1.00 0.00 C ATOM 487 CG1 ILE A 30 8.569 -1.160 -9.377 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.588 -1.278 -7.072 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.922 0.280 -9.679 1.00 0.00 C ATOM 0 H ILE A 30 6.427 -1.806 -10.852 1.00 0.00 H new ATOM 0 HA ILE A 30 7.263 -3.463 -8.782 1.00 0.00 H new ATOM 0 HB ILE A 30 6.622 -0.483 -8.800 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.393 -1.621 -8.833 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.463 -1.704 -10.315 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.090 -0.342 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.657 -1.349 -6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.234 -2.116 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.844 0.315 -10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.116 0.740 -10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.061 0.824 -8.745 1.00 0.00 H new ATOM 501 N LEU A 31 4.237 -2.231 -8.419 1.00 0.00 N ATOM 502 CA LEU A 31 3.007 -2.331 -7.641 1.00 0.00 C ATOM 503 C LEU A 31 2.412 -3.731 -7.741 1.00 0.00 C ATOM 504 O LEU A 31 1.728 -4.192 -6.827 1.00 0.00 O ATOM 505 CB LEU A 31 1.990 -1.296 -8.124 1.00 0.00 C ATOM 506 CG LEU A 31 2.367 0.170 -7.904 1.00 0.00 C ATOM 507 CD1 LEU A 31 1.210 1.081 -8.285 1.00 0.00 C ATOM 508 CD2 LEU A 31 2.779 0.403 -6.458 1.00 0.00 C ATOM 0 H LEU A 31 4.151 -1.684 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 31 3.249 -2.133 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.822 -1.451 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.042 -1.486 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 31 3.216 0.408 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.496 2.120 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.962 0.934 -9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.342 0.843 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.044 1.451 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.950 0.148 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.639 -0.223 -6.219 1.00 0.00 H new ATOM 520 N GLU A 32 2.679 -4.404 -8.856 1.00 0.00 N ATOM 521 CA GLU A 32 2.170 -5.753 -9.074 1.00 0.00 C ATOM 522 C GLU A 32 3.014 -6.781 -8.325 1.00 0.00 C ATOM 523 O GLU A 32 2.541 -7.869 -7.998 1.00 0.00 O ATOM 524 CB GLU A 32 2.154 -6.081 -10.568 1.00 0.00 C ATOM 525 CG GLU A 32 0.773 -6.421 -11.102 1.00 0.00 C ATOM 526 CD GLU A 32 -0.188 -5.251 -11.020 1.00 0.00 C ATOM 527 OE1 GLU A 32 0.259 -4.101 -11.218 1.00 0.00 O ATOM 528 OE2 GLU A 32 -1.387 -5.484 -10.757 1.00 0.00 O ATOM 0 H GLU A 32 3.244 -4.037 -9.622 1.00 0.00 H new ATOM 0 HA GLU A 32 1.151 -5.796 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.549 -5.230 -11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.823 -6.921 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.858 -6.744 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.366 -7.261 -10.539 1.00 0.00 H new ATOM 535 N ALA A 33 4.267 -6.427 -8.058 1.00 0.00 N ATOM 536 CA ALA A 33 5.177 -7.316 -7.347 1.00 0.00 C ATOM 537 C ALA A 33 4.826 -7.391 -5.865 1.00 0.00 C ATOM 538 O ALA A 33 4.832 -8.469 -5.268 1.00 0.00 O ATOM 539 CB ALA A 33 6.615 -6.853 -7.528 1.00 0.00 C ATOM 0 H ALA A 33 4.675 -5.531 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 33 5.072 -8.316 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.284 -7.526 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.868 -6.858 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.724 -5.843 -7.134 1.00 0.00 H new ATOM 545 N THR A 34 4.519 -6.240 -5.275 1.00 0.00 N ATOM 546 CA THR A 34 4.167 -6.176 -3.862 1.00 0.00 C ATOM 547 C THR A 34 2.983 -7.083 -3.549 1.00 0.00 C ATOM 548 O THR A 34 2.787 -7.491 -2.405 1.00 0.00 O ATOM 549 CB THR A 34 3.825 -4.736 -3.434 1.00 0.00 C ATOM 550 OG1 THR A 34 3.771 -4.650 -2.006 1.00 0.00 O ATOM 551 CG2 THR A 34 2.492 -4.299 -4.024 1.00 0.00 C ATOM 0 H THR A 34 4.507 -5.339 -5.754 1.00 0.00 H new ATOM 0 HA THR A 34 5.038 -6.516 -3.303 1.00 0.00 H new ATOM 0 HB THR A 34 4.605 -4.073 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.555 -3.731 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.271 -3.279 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.545 -4.339 -5.112 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.704 -4.966 -3.675 1.00 0.00 H new ATOM 559 N ALA A 35 2.195 -7.395 -4.573 1.00 0.00 N ATOM 560 CA ALA A 35 1.031 -8.256 -4.407 1.00 0.00 C ATOM 561 C ALA A 35 1.448 -9.680 -4.054 1.00 0.00 C ATOM 562 O ALA A 35 0.713 -10.404 -3.382 1.00 0.00 O ATOM 563 CB ALA A 35 0.185 -8.249 -5.671 1.00 0.00 C ATOM 0 H ALA A 35 2.342 -7.064 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 35 0.435 -7.865 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.681 -8.896 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.151 -7.233 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.780 -8.613 -6.509 1.00 0.00 H new ATOM 569 N ASP A 36 2.630 -10.076 -4.513 1.00 0.00 N ATOM 570 CA ASP A 36 3.145 -11.414 -4.246 1.00 0.00 C ATOM 571 C ASP A 36 3.666 -11.520 -2.816 1.00 0.00 C ATOM 572 O ASP A 36 3.276 -12.417 -2.068 1.00 0.00 O ATOM 573 CB ASP A 36 4.258 -11.763 -5.235 1.00 0.00 C ATOM 574 CG ASP A 36 4.399 -13.258 -5.444 1.00 0.00 C ATOM 575 OD1 ASP A 36 5.471 -13.692 -5.915 1.00 0.00 O ATOM 576 OD2 ASP A 36 3.438 -13.993 -5.136 1.00 0.00 O ATOM 0 H ASP A 36 3.250 -9.489 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 36 2.326 -12.123 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.053 -11.283 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.203 -11.359 -4.871 1.00 0.00 H new ATOM 581 N ILE A 37 4.550 -10.600 -2.445 1.00 0.00 N ATOM 582 CA ILE A 37 5.125 -10.591 -1.105 1.00 0.00 C ATOM 583 C ILE A 37 4.036 -10.513 -0.040 1.00 0.00 C ATOM 584 O ILE A 37 3.986 -11.340 0.871 1.00 0.00 O ATOM 585 CB ILE A 37 6.096 -9.410 -0.918 1.00 0.00 C ATOM 586 CG1 ILE A 37 7.230 -9.486 -1.942 1.00 0.00 C ATOM 587 CG2 ILE A 37 6.653 -9.403 0.498 1.00 0.00 C ATOM 588 CD1 ILE A 37 8.239 -8.367 -1.811 1.00 0.00 C ATOM 0 H ILE A 37 4.884 -9.852 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 37 5.675 -11.525 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 37 5.550 -8.480 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.743 -10.441 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.805 -9.465 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.338 -8.563 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.834 -9.306 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.187 -10.335 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.014 -8.485 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.739 -7.408 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.692 -8.400 -0.820 1.00 0.00 H new ATOM 600 N ILE A 38 3.166 -9.517 -0.163 1.00 0.00 N ATOM 601 CA ILE A 38 2.076 -9.334 0.787 1.00 0.00 C ATOM 602 C ILE A 38 1.202 -10.580 0.867 1.00 0.00 C ATOM 603 O ILE A 38 0.683 -10.921 1.932 1.00 0.00 O ATOM 604 CB ILE A 38 1.197 -8.127 0.409 1.00 0.00 C ATOM 605 CG1 ILE A 38 2.024 -6.840 0.426 1.00 0.00 C ATOM 606 CG2 ILE A 38 0.014 -8.015 1.359 1.00 0.00 C ATOM 607 CD1 ILE A 38 1.286 -5.640 -0.124 1.00 0.00 C ATOM 0 H ILE A 38 3.195 -8.824 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 38 2.532 -9.150 1.760 1.00 0.00 H new ATOM 0 HB ILE A 38 0.815 -8.277 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.332 -6.629 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.933 -6.994 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.598 -7.157 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.586 -8.923 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.377 -7.884 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.933 -4.764 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.002 -5.831 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.391 -5.459 0.471 1.00 0.00 H new ATOM 619 N LEU A 39 1.043 -11.259 -0.263 1.00 0.00 N ATOM 620 CA LEU A 39 0.233 -12.471 -0.321 1.00 0.00 C ATOM 621 C LEU A 39 0.845 -13.577 0.532 1.00 0.00 C ATOM 622 O LEU A 39 0.152 -14.497 0.966 1.00 0.00 O ATOM 623 CB LEU A 39 0.093 -12.946 -1.769 1.00 0.00 C ATOM 624 CG LEU A 39 -1.257 -12.678 -2.435 1.00 0.00 C ATOM 625 CD1 LEU A 39 -1.109 -12.655 -3.949 1.00 0.00 C ATOM 626 CD2 LEU A 39 -2.277 -13.725 -2.013 1.00 0.00 C ATOM 0 H LEU A 39 1.464 -10.991 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.755 -12.237 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.871 -12.467 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.284 -14.019 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.614 -11.701 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.080 -12.463 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.411 -11.868 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.730 -13.618 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.232 -13.518 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.927 -14.714 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.404 -13.694 -0.931 1.00 0.00 H new ATOM 638 N LYS A 40 2.149 -13.480 0.771 1.00 0.00 N ATOM 639 CA LYS A 40 2.855 -14.470 1.575 1.00 0.00 C ATOM 640 C LYS A 40 2.681 -14.186 3.064 1.00 0.00 C ATOM 641 O LYS A 40 2.378 -15.086 3.846 1.00 0.00 O ATOM 642 CB LYS A 40 4.343 -14.479 1.217 1.00 0.00 C ATOM 643 CG LYS A 40 4.741 -15.623 0.302 1.00 0.00 C ATOM 644 CD LYS A 40 5.823 -15.203 -0.679 1.00 0.00 C ATOM 645 CE LYS A 40 6.417 -16.402 -1.403 1.00 0.00 C ATOM 646 NZ LYS A 40 5.363 -17.252 -2.023 1.00 0.00 N ATOM 0 H LYS A 40 2.738 -12.725 0.419 1.00 0.00 H new ATOM 0 HA LYS A 40 2.429 -15.449 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.598 -13.535 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.929 -14.538 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.097 -16.462 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.866 -15.972 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.405 -14.508 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.612 -14.671 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.105 -16.056 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.999 -16.999 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.805 -17.935 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.847 -17.764 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.700 -16.651 -2.553 1.00 0.00 H new ATOM 660 N VAL A 41 2.874 -12.928 3.448 1.00 0.00 N ATOM 661 CA VAL A 41 2.736 -12.525 4.843 1.00 0.00 C ATOM 662 C VAL A 41 1.270 -12.484 5.260 1.00 0.00 C ATOM 663 O VAL A 41 0.946 -12.609 6.440 1.00 0.00 O ATOM 664 CB VAL A 41 3.369 -11.143 5.093 1.00 0.00 C ATOM 665 CG1 VAL A 41 4.861 -11.179 4.804 1.00 0.00 C ATOM 666 CG2 VAL A 41 2.679 -10.082 4.250 1.00 0.00 C ATOM 0 H VAL A 41 3.126 -12.171 2.813 1.00 0.00 H new ATOM 0 HA VAL A 41 3.260 -13.270 5.442 1.00 0.00 H new ATOM 0 HB VAL A 41 3.234 -10.885 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.291 -10.194 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.340 -11.910 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.023 -11.459 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.138 -9.112 4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.781 -10.333 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.622 -10.040 4.512 1.00 0.00 H new ATOM 676 N GLY A 42 0.387 -12.309 4.282 1.00 0.00 N ATOM 677 CA GLY A 42 -1.035 -12.255 4.568 1.00 0.00 C ATOM 678 C GLY A 42 -1.450 -10.942 5.201 1.00 0.00 C ATOM 679 O GLY A 42 -2.317 -10.913 6.075 1.00 0.00 O ATOM 0 H GLY A 42 0.631 -12.204 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.594 -12.402 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.300 -13.076 5.235 1.00 0.00 H new ATOM 683 N HIS A 43 -0.829 -9.852 4.761 1.00 0.00 N ATOM 684 CA HIS A 43 -1.138 -8.529 5.292 1.00 0.00 C ATOM 685 C HIS A 43 -0.392 -7.446 4.519 1.00 0.00 C ATOM 686 O HIS A 43 0.764 -7.628 4.135 1.00 0.00 O ATOM 687 CB HIS A 43 -0.776 -8.455 6.775 1.00 0.00 C ATOM 688 CG HIS A 43 0.699 -8.415 7.031 1.00 0.00 C ATOM 689 ND1 HIS A 43 1.460 -7.276 6.872 1.00 0.00 N ATOM 690 CD2 HIS A 43 1.553 -9.383 7.438 1.00 0.00 C ATOM 691 CE1 HIS A 43 2.719 -7.546 7.168 1.00 0.00 C ATOM 692 NE2 HIS A 43 2.802 -8.818 7.516 1.00 0.00 N ATOM 0 H HIS A 43 -0.109 -9.859 4.038 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.209 -8.359 5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.236 -7.567 7.209 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.202 -9.317 7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.299 -10.409 7.660 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.541 -6.846 7.132 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.655 -9.301 7.797 1.00 0.00 H new ATOM 700 N ASP A 44 -1.060 -6.320 4.294 1.00 0.00 N ATOM 701 CA ASP A 44 -0.460 -5.207 3.567 1.00 0.00 C ATOM 702 C ASP A 44 -0.101 -4.069 4.516 1.00 0.00 C ATOM 703 O ASP A 44 -0.626 -3.983 5.626 1.00 0.00 O ATOM 704 CB ASP A 44 -1.416 -4.703 2.485 1.00 0.00 C ATOM 705 CG ASP A 44 -2.582 -3.923 3.060 1.00 0.00 C ATOM 706 OD1 ASP A 44 -2.462 -2.687 3.194 1.00 0.00 O ATOM 707 OD2 ASP A 44 -3.616 -4.549 3.375 1.00 0.00 O ATOM 0 H ASP A 44 -2.017 -6.154 4.605 1.00 0.00 H new ATOM 0 HA ASP A 44 0.455 -5.564 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.868 -4.070 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.796 -5.552 1.916 1.00 0.00 H new ATOM 712 N PHE A 45 0.799 -3.197 4.073 1.00 0.00 N ATOM 713 CA PHE A 45 1.231 -2.065 4.884 1.00 0.00 C ATOM 714 C PHE A 45 0.507 -0.789 4.465 1.00 0.00 C ATOM 715 O PHE A 45 1.106 0.114 3.881 1.00 0.00 O ATOM 716 CB PHE A 45 2.744 -1.870 4.762 1.00 0.00 C ATOM 717 CG PHE A 45 3.523 -3.151 4.860 1.00 0.00 C ATOM 718 CD1 PHE A 45 4.031 -3.577 6.077 1.00 0.00 C ATOM 719 CD2 PHE A 45 3.748 -3.928 3.736 1.00 0.00 C ATOM 720 CE1 PHE A 45 4.748 -4.755 6.171 1.00 0.00 C ATOM 721 CE2 PHE A 45 4.463 -5.107 3.824 1.00 0.00 C ATOM 722 CZ PHE A 45 4.965 -5.520 5.042 1.00 0.00 C ATOM 0 H PHE A 45 1.243 -3.253 3.157 1.00 0.00 H new ATOM 0 HA PHE A 45 0.982 -2.279 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.965 -1.392 3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.079 -1.189 5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.865 -2.981 6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.360 -3.609 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.138 -5.076 7.126 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.629 -5.705 2.940 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.527 -6.440 5.112 1.00 0.00 H new ATOM 732 N SER A 46 -0.785 -0.722 4.769 1.00 0.00 N ATOM 733 CA SER A 46 -1.593 0.441 4.421 1.00 0.00 C ATOM 734 C SER A 46 -1.314 1.601 5.372 1.00 0.00 C ATOM 735 O SER A 46 -0.985 2.706 4.941 1.00 0.00 O ATOM 736 CB SER A 46 -3.080 0.085 4.455 1.00 0.00 C ATOM 737 OG SER A 46 -3.881 1.248 4.577 1.00 0.00 O ATOM 0 H SER A 46 -1.295 -1.459 5.256 1.00 0.00 H new ATOM 0 HA SER A 46 -1.324 0.750 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.349 -0.452 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.277 -0.586 5.291 1.00 0.00 H new ATOM 0 HG SER A 46 -4.827 0.993 4.595 1.00 0.00 H new ATOM 743 N ASP A 47 -1.448 1.340 6.668 1.00 0.00 N ATOM 744 CA ASP A 47 -1.210 2.361 7.682 1.00 0.00 C ATOM 745 C ASP A 47 0.150 3.021 7.479 1.00 0.00 C ATOM 746 O ASP A 47 1.189 2.369 7.583 1.00 0.00 O ATOM 747 CB ASP A 47 -1.290 1.748 9.081 1.00 0.00 C ATOM 748 CG ASP A 47 -2.540 2.173 9.828 1.00 0.00 C ATOM 749 OD1 ASP A 47 -2.480 2.280 11.071 1.00 0.00 O ATOM 750 OD2 ASP A 47 -3.576 2.399 9.169 1.00 0.00 O ATOM 0 H ASP A 47 -1.720 0.430 7.041 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.982 3.124 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.270 0.661 9.000 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.410 2.041 9.654 1.00 0.00 H new ATOM 755 N ALA A 48 0.136 4.318 7.189 1.00 0.00 N ATOM 756 CA ALA A 48 1.368 5.066 6.973 1.00 0.00 C ATOM 757 C ALA A 48 2.280 4.986 8.192 1.00 0.00 C ATOM 758 O ALA A 48 3.490 5.183 8.087 1.00 0.00 O ATOM 759 CB ALA A 48 1.052 6.517 6.642 1.00 0.00 C ATOM 0 H ALA A 48 -0.715 4.872 7.098 1.00 0.00 H new ATOM 0 HA ALA A 48 1.893 4.618 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.981 7.065 6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.446 6.560 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.502 6.967 7.469 1.00 0.00 H new ATOM 765 N GLU A 49 1.691 4.696 9.348 1.00 0.00 N ATOM 766 CA GLU A 49 2.452 4.591 10.587 1.00 0.00 C ATOM 767 C GLU A 49 2.837 3.142 10.869 1.00 0.00 C ATOM 768 O GLU A 49 2.861 2.706 12.020 1.00 0.00 O ATOM 769 CB GLU A 49 1.642 5.151 11.758 1.00 0.00 C ATOM 770 CG GLU A 49 0.302 4.461 11.957 1.00 0.00 C ATOM 771 CD GLU A 49 -0.869 5.328 11.537 1.00 0.00 C ATOM 772 OE1 GLU A 49 -1.850 5.412 12.305 1.00 0.00 O ATOM 773 OE2 GLU A 49 -0.804 5.923 10.440 1.00 0.00 O ATOM 0 H GLU A 49 0.690 4.530 9.452 1.00 0.00 H new ATOM 0 HA GLU A 49 3.365 5.176 10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.228 5.058 12.672 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.472 6.215 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.286 3.534 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.190 4.189 13.007 1.00 0.00 H new ATOM 780 N TYR A 50 3.139 2.400 9.809 1.00 0.00 N ATOM 781 CA TYR A 50 3.520 0.999 9.940 1.00 0.00 C ATOM 782 C TYR A 50 3.967 0.428 8.598 1.00 0.00 C ATOM 783 O TYR A 50 3.491 -0.624 8.169 1.00 0.00 O ATOM 784 CB TYR A 50 2.352 0.180 10.492 1.00 0.00 C ATOM 785 CG TYR A 50 2.733 -1.230 10.885 1.00 0.00 C ATOM 786 CD1 TYR A 50 3.829 -1.471 11.704 1.00 0.00 C ATOM 787 CD2 TYR A 50 1.998 -2.320 10.436 1.00 0.00 C ATOM 788 CE1 TYR A 50 4.181 -2.758 12.065 1.00 0.00 C ATOM 789 CE2 TYR A 50 2.342 -3.609 10.792 1.00 0.00 C ATOM 790 CZ TYR A 50 3.435 -3.823 11.607 1.00 0.00 C ATOM 791 OH TYR A 50 3.781 -5.106 11.963 1.00 0.00 O ATOM 0 H TYR A 50 3.127 2.746 8.849 1.00 0.00 H new ATOM 0 HA TYR A 50 4.357 0.940 10.636 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.939 0.692 11.362 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.562 0.138 9.742 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.416 -0.639 12.065 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.143 -2.156 9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.036 -2.928 12.703 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.759 -4.445 10.435 1.00 0.00 H new ATOM 0 HH TYR A 50 3.152 -5.739 11.557 1.00 0.00 H new ATOM 801 N ILE A 51 4.884 1.129 7.939 1.00 0.00 N ATOM 802 CA ILE A 51 5.396 0.691 6.647 1.00 0.00 C ATOM 803 C ILE A 51 6.914 0.542 6.679 1.00 0.00 C ATOM 804 O ILE A 51 7.651 1.302 6.051 1.00 0.00 O ATOM 805 CB ILE A 51 5.013 1.676 5.527 1.00 0.00 C ATOM 806 CG1 ILE A 51 3.501 1.914 5.522 1.00 0.00 C ATOM 807 CG2 ILE A 51 5.476 1.150 4.177 1.00 0.00 C ATOM 808 CD1 ILE A 51 3.046 2.886 4.457 1.00 0.00 C ATOM 0 H ILE A 51 5.287 2.002 8.279 1.00 0.00 H new ATOM 0 HA ILE A 51 4.942 -0.278 6.440 1.00 0.00 H new ATOM 0 HB ILE A 51 5.511 2.627 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.992 0.962 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.197 2.290 6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.198 1.858 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.559 1.027 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.003 0.188 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.964 3.006 4.512 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.527 3.851 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.318 2.502 3.474 1.00 0.00 H new ATOM 820 N PRO A 52 7.393 -0.463 7.427 1.00 0.00 N ATOM 821 CA PRO A 52 8.827 -0.738 7.558 1.00 0.00 C ATOM 822 C PRO A 52 9.434 -1.279 6.268 1.00 0.00 C ATOM 823 O PRO A 52 8.856 -2.150 5.616 1.00 0.00 O ATOM 824 CB PRO A 52 8.886 -1.797 8.662 1.00 0.00 C ATOM 825 CG PRO A 52 7.557 -2.468 8.614 1.00 0.00 C ATOM 826 CD PRO A 52 6.572 -1.408 8.203 1.00 0.00 C ATOM 0 HA PRO A 52 9.396 0.164 7.783 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.694 -2.507 8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.066 -1.343 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.562 -3.293 7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.296 -2.887 9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.762 -1.823 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.115 -0.927 9.068 1.00 0.00 H new ATOM 834 N LEU A 53 10.600 -0.758 5.904 1.00 0.00 N ATOM 835 CA LEU A 53 11.286 -1.190 4.691 1.00 0.00 C ATOM 836 C LEU A 53 12.752 -1.500 4.975 1.00 0.00 C ATOM 837 O LEU A 53 13.652 -0.735 4.630 1.00 0.00 O ATOM 838 CB LEU A 53 11.181 -0.111 3.612 1.00 0.00 C ATOM 839 CG LEU A 53 10.228 -0.410 2.454 1.00 0.00 C ATOM 840 CD1 LEU A 53 8.905 -0.949 2.978 1.00 0.00 C ATOM 841 CD2 LEU A 53 10.002 0.838 1.613 1.00 0.00 C ATOM 0 H LEU A 53 11.091 -0.036 6.431 1.00 0.00 H new ATOM 0 HA LEU A 53 10.804 -2.101 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.865 0.818 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.176 0.062 3.202 1.00 0.00 H new ATOM 0 HG LEU A 53 10.683 -1.172 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.239 -1.156 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.082 -1.868 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.445 -0.209 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.321 0.606 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.569 1.622 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.954 1.181 1.208 1.00 0.00 H new ATOM 853 N PRO A 54 13.000 -2.651 5.618 1.00 0.00 N ATOM 854 CA PRO A 54 14.356 -3.091 5.960 1.00 0.00 C ATOM 855 C PRO A 54 15.163 -3.490 4.730 1.00 0.00 C ATOM 856 O PRO A 54 14.751 -3.241 3.598 1.00 0.00 O ATOM 857 CB PRO A 54 14.118 -4.305 6.861 1.00 0.00 C ATOM 858 CG PRO A 54 12.779 -4.819 6.459 1.00 0.00 C ATOM 859 CD PRO A 54 11.975 -3.612 6.060 1.00 0.00 C ATOM 0 HA PRO A 54 14.935 -2.298 6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.891 -5.061 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.135 -4.025 7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.864 -5.523 5.631 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.302 -5.351 7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.271 -3.844 5.261 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.393 -3.223 6.895 1.00 0.00 H new ATOM 867 N GLU A 55 16.316 -4.112 4.960 1.00 0.00 N ATOM 868 CA GLU A 55 17.181 -4.545 3.869 1.00 0.00 C ATOM 869 C GLU A 55 16.677 -5.851 3.262 1.00 0.00 C ATOM 870 O GLU A 55 16.908 -6.133 2.085 1.00 0.00 O ATOM 871 CB GLU A 55 18.617 -4.722 4.367 1.00 0.00 C ATOM 872 CG GLU A 55 19.563 -5.271 3.312 1.00 0.00 C ATOM 873 CD GLU A 55 20.868 -4.503 3.242 1.00 0.00 C ATOM 874 OE1 GLU A 55 21.856 -4.954 3.859 1.00 0.00 O ATOM 875 OE2 GLU A 55 20.903 -3.450 2.571 1.00 0.00 O ATOM 0 H GLU A 55 16.672 -4.327 5.891 1.00 0.00 H new ATOM 0 HA GLU A 55 17.164 -3.775 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.993 -3.760 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.615 -5.393 5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.773 -6.318 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.074 -5.238 2.338 1.00 0.00 H new ATOM 882 N THR A 56 15.987 -6.647 4.073 1.00 0.00 N ATOM 883 CA THR A 56 15.452 -7.924 3.617 1.00 0.00 C ATOM 884 C THR A 56 14.218 -7.723 2.745 1.00 0.00 C ATOM 885 O THR A 56 14.022 -8.430 1.756 1.00 0.00 O ATOM 886 CB THR A 56 15.085 -8.835 4.804 1.00 0.00 C ATOM 887 OG1 THR A 56 14.553 -10.075 4.324 1.00 0.00 O ATOM 888 CG2 THR A 56 14.068 -8.158 5.711 1.00 0.00 C ATOM 0 H THR A 56 15.786 -6.430 5.049 1.00 0.00 H new ATOM 0 HA THR A 56 16.235 -8.403 3.029 1.00 0.00 H new ATOM 0 HB THR A 56 15.990 -9.027 5.380 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.667 -10.224 4.716 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.824 -8.820 6.542 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.487 -7.229 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.163 -7.939 5.144 1.00 0.00 H new ATOM 896 N VAL A 57 13.387 -6.754 3.116 1.00 0.00 N ATOM 897 CA VAL A 57 12.172 -6.459 2.366 1.00 0.00 C ATOM 898 C VAL A 57 12.496 -5.773 1.044 1.00 0.00 C ATOM 899 O VAL A 57 12.098 -6.240 -0.023 1.00 0.00 O ATOM 900 CB VAL A 57 11.216 -5.564 3.176 1.00 0.00 C ATOM 901 CG1 VAL A 57 10.043 -5.119 2.316 1.00 0.00 C ATOM 902 CG2 VAL A 57 10.730 -6.292 4.420 1.00 0.00 C ATOM 0 H VAL A 57 13.533 -6.160 3.932 1.00 0.00 H new ATOM 0 HA VAL A 57 11.683 -7.413 2.167 1.00 0.00 H new ATOM 0 HB VAL A 57 11.761 -4.675 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.378 -4.488 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.413 -4.556 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.496 -5.994 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.055 -5.645 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.202 -7.200 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.584 -6.554 5.045 1.00 0.00 H new ATOM 912 N ARG A 58 13.221 -4.662 1.122 1.00 0.00 N ATOM 913 CA ARG A 58 13.598 -3.910 -0.069 1.00 0.00 C ATOM 914 C ARG A 58 14.240 -4.824 -1.108 1.00 0.00 C ATOM 915 O ARG A 58 14.063 -4.634 -2.312 1.00 0.00 O ATOM 916 CB ARG A 58 14.564 -2.781 0.299 1.00 0.00 C ATOM 917 CG ARG A 58 13.998 -1.392 0.054 1.00 0.00 C ATOM 918 CD ARG A 58 14.881 -0.315 0.664 1.00 0.00 C ATOM 919 NE ARG A 58 16.271 -0.436 0.230 1.00 0.00 N ATOM 920 CZ ARG A 58 16.709 -0.026 -0.955 1.00 0.00 C ATOM 921 NH1 ARG A 58 15.870 0.529 -1.820 1.00 0.00 N ATOM 922 NH2 ARG A 58 17.988 -0.170 -1.277 1.00 0.00 N ATOM 0 H ARG A 58 13.559 -4.263 1.998 1.00 0.00 H new ATOM 0 HA ARG A 58 12.693 -3.480 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.834 -2.874 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.482 -2.897 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.902 -1.221 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.996 -1.326 0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.499 0.667 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.834 -0.380 1.751 1.00 0.00 H new ATOM 0 HE ARG A 58 16.942 -0.858 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.886 0.642 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.209 0.843 -2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 58 18.636 -0.596 -0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.323 0.145 -2.187 1.00 0.00 H new ATOM 936 N LEU A 59 14.986 -5.816 -0.635 1.00 0.00 N ATOM 937 CA LEU A 59 15.656 -6.760 -1.524 1.00 0.00 C ATOM 938 C LEU A 59 14.653 -7.725 -2.148 1.00 0.00 C ATOM 939 O LEU A 59 14.723 -8.025 -3.339 1.00 0.00 O ATOM 940 CB LEU A 59 16.724 -7.542 -0.757 1.00 0.00 C ATOM 941 CG LEU A 59 17.535 -8.548 -1.575 1.00 0.00 C ATOM 942 CD1 LEU A 59 18.116 -7.885 -2.814 1.00 0.00 C ATOM 943 CD2 LEU A 59 18.641 -9.157 -0.726 1.00 0.00 C ATOM 0 H LEU A 59 15.142 -5.988 0.358 1.00 0.00 H new ATOM 0 HA LEU A 59 16.133 -6.193 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 59 17.415 -6.829 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 59 16.239 -8.075 0.060 1.00 0.00 H new ATOM 0 HG LEU A 59 16.868 -9.348 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 59 18.690 -8.617 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 17.307 -7.498 -3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.769 -7.065 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.208 -9.870 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.306 -8.368 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 59 18.202 -9.669 0.130 1.00 0.00 H new ATOM 955 N ALA A 60 13.718 -8.207 -1.335 1.00 0.00 N ATOM 956 CA ALA A 60 12.698 -9.135 -1.808 1.00 0.00 C ATOM 957 C ALA A 60 11.898 -8.531 -2.957 1.00 0.00 C ATOM 958 O ALA A 60 11.615 -9.202 -3.950 1.00 0.00 O ATOM 959 CB ALA A 60 11.773 -9.529 -0.666 1.00 0.00 C ATOM 0 H ALA A 60 13.646 -7.970 -0.346 1.00 0.00 H new ATOM 0 HA ALA A 60 13.198 -10.029 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.016 -10.222 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.353 -10.009 0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.287 -8.638 -0.268 1.00 0.00 H new ATOM 965 N LEU A 61 11.534 -7.261 -2.815 1.00 0.00 N ATOM 966 CA LEU A 61 10.765 -6.566 -3.841 1.00 0.00 C ATOM 967 C LEU A 61 11.640 -6.232 -5.045 1.00 0.00 C ATOM 968 O LEU A 61 11.210 -6.357 -6.192 1.00 0.00 O ATOM 969 CB LEU A 61 10.154 -5.286 -3.269 1.00 0.00 C ATOM 970 CG LEU A 61 8.853 -4.815 -3.920 1.00 0.00 C ATOM 971 CD1 LEU A 61 9.059 -4.566 -5.406 1.00 0.00 C ATOM 972 CD2 LEU A 61 7.745 -5.834 -3.697 1.00 0.00 C ATOM 0 H LEU A 61 11.759 -6.692 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 61 9.964 -7.228 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.970 -5.438 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.890 -4.486 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 61 8.555 -3.876 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.122 -4.232 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.821 -3.799 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.381 -5.489 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.827 -5.482 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.035 -6.789 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.579 -5.962 -2.627 1.00 0.00 H new ATOM 984 N LEU A 62 12.870 -5.808 -4.776 1.00 0.00 N ATOM 985 CA LEU A 62 13.808 -5.457 -5.837 1.00 0.00 C ATOM 986 C LEU A 62 14.021 -6.633 -6.785 1.00 0.00 C ATOM 987 O LEU A 62 14.069 -6.461 -8.003 1.00 0.00 O ATOM 988 CB LEU A 62 15.146 -5.021 -5.238 1.00 0.00 C ATOM 989 CG LEU A 62 15.244 -3.557 -4.808 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.320 -3.382 -3.747 1.00 0.00 C ATOM 991 CD2 LEU A 62 15.527 -2.666 -6.009 1.00 0.00 C ATOM 0 H LEU A 62 13.241 -5.699 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 62 13.384 -4.628 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.355 -5.648 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.930 -5.217 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 62 14.287 -3.260 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.375 -2.334 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.075 -3.990 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.283 -3.697 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.593 -1.628 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.470 -2.963 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.721 -2.768 -6.736 1.00 0.00 H new ATOM 1003 N LYS A 63 14.147 -7.828 -6.219 1.00 0.00 N ATOM 1004 CA LYS A 63 14.351 -9.034 -7.013 1.00 0.00 C ATOM 1005 C LYS A 63 13.068 -9.435 -7.733 1.00 0.00 C ATOM 1006 O LYS A 63 13.089 -9.775 -8.917 1.00 0.00 O ATOM 1007 CB LYS A 63 14.828 -10.182 -6.120 1.00 0.00 C ATOM 1008 CG LYS A 63 16.277 -10.054 -5.686 1.00 0.00 C ATOM 1009 CD LYS A 63 16.588 -10.959 -4.506 1.00 0.00 C ATOM 1010 CE LYS A 63 18.084 -11.192 -4.361 1.00 0.00 C ATOM 1011 NZ LYS A 63 18.384 -12.538 -3.799 1.00 0.00 N ATOM 0 H LYS A 63 14.111 -7.988 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 63 15.115 -8.822 -7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.195 -10.229 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.699 -11.124 -6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.931 -10.305 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 63 16.487 -9.019 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.198 -10.513 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.081 -11.915 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.563 -11.090 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.510 -10.425 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.414 -12.658 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.948 -12.627 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.000 -13.271 -4.429 1.00 0.00 H new ATOM 1025 N LEU A 64 11.952 -9.391 -7.014 1.00 0.00 N ATOM 1026 CA LEU A 64 10.659 -9.748 -7.585 1.00 0.00 C ATOM 1027 C LEU A 64 10.302 -8.823 -8.745 1.00 0.00 C ATOM 1028 O LEU A 64 9.748 -9.261 -9.753 1.00 0.00 O ATOM 1029 CB LEU A 64 9.570 -9.683 -6.513 1.00 0.00 C ATOM 1030 CG LEU A 64 9.086 -11.026 -5.965 1.00 0.00 C ATOM 1031 CD1 LEU A 64 8.327 -10.829 -4.662 1.00 0.00 C ATOM 1032 CD2 LEU A 64 8.215 -11.738 -6.990 1.00 0.00 C ATOM 0 H LEU A 64 11.917 -9.111 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 64 10.726 -10.768 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.943 -9.087 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.713 -9.152 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 64 9.957 -11.649 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.990 -11.796 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.982 -10.363 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.464 -10.187 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.880 -12.692 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.349 -11.119 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.792 -11.914 -7.898 1.00 0.00 H new ATOM 1044 N SER A 65 10.625 -7.543 -8.595 1.00 0.00 N ATOM 1045 CA SER A 65 10.337 -6.556 -9.629 1.00 0.00 C ATOM 1046 C SER A 65 10.979 -6.954 -10.954 1.00 0.00 C ATOM 1047 O SER A 65 10.369 -6.826 -12.015 1.00 0.00 O ATOM 1048 CB SER A 65 10.839 -5.176 -9.201 1.00 0.00 C ATOM 1049 OG SER A 65 9.793 -4.220 -9.231 1.00 0.00 O ATOM 0 H SER A 65 11.086 -7.165 -7.768 1.00 0.00 H new ATOM 0 HA SER A 65 9.256 -6.515 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.255 -5.233 -8.195 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.645 -4.858 -9.862 1.00 0.00 H new ATOM 0 HG SER A 65 9.771 -3.732 -8.381 1.00 0.00 H new ATOM 1055 N GLN A 66 12.215 -7.439 -10.884 1.00 0.00 N ATOM 1056 CA GLN A 66 12.941 -7.856 -12.077 1.00 0.00 C ATOM 1057 C GLN A 66 12.291 -9.083 -12.709 1.00 0.00 C ATOM 1058 O GLN A 66 12.214 -9.197 -13.933 1.00 0.00 O ATOM 1059 CB GLN A 66 14.400 -8.157 -11.733 1.00 0.00 C ATOM 1060 CG GLN A 66 15.186 -8.757 -12.888 1.00 0.00 C ATOM 1061 CD GLN A 66 15.653 -10.171 -12.604 1.00 0.00 C ATOM 1062 OE1 GLN A 66 15.149 -11.132 -13.187 1.00 0.00 O ATOM 1063 NE2 GLN A 66 16.621 -10.307 -11.706 1.00 0.00 N ATOM 0 H GLN A 66 12.734 -7.553 -10.013 1.00 0.00 H new ATOM 0 HA GLN A 66 12.907 -7.038 -12.797 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.887 -7.236 -11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.431 -8.844 -10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.565 -8.757 -13.784 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.051 -8.128 -13.099 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.010 -9.483 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.976 -11.235 -11.475 1.00 0.00 H new ATOM 1072 N PHE A 67 11.825 -9.999 -11.867 1.00 0.00 N ATOM 1073 CA PHE A 67 11.183 -11.219 -12.343 1.00 0.00 C ATOM 1074 C PHE A 67 9.965 -10.892 -13.202 1.00 0.00 C ATOM 1075 O PHE A 67 9.878 -11.307 -14.358 1.00 0.00 O ATOM 1076 CB PHE A 67 10.766 -12.096 -11.160 1.00 0.00 C ATOM 1077 CG PHE A 67 9.911 -13.266 -11.554 1.00 0.00 C ATOM 1078 CD1 PHE A 67 10.485 -14.490 -11.856 1.00 0.00 C ATOM 1079 CD2 PHE A 67 8.532 -13.141 -11.622 1.00 0.00 C ATOM 1080 CE1 PHE A 67 9.700 -15.569 -12.218 1.00 0.00 C ATOM 1081 CE2 PHE A 67 7.743 -14.216 -11.983 1.00 0.00 C ATOM 1082 CZ PHE A 67 8.327 -15.431 -12.283 1.00 0.00 C ATOM 0 H PHE A 67 11.880 -9.920 -10.852 1.00 0.00 H new ATOM 0 HA PHE A 67 11.902 -11.764 -12.955 1.00 0.00 H new ATOM 0 HB2 PHE A 67 11.661 -12.463 -10.657 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.223 -11.485 -10.439 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.558 -14.603 -11.808 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.070 -12.193 -11.390 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.160 -16.518 -12.450 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.670 -14.106 -12.031 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.712 -16.272 -12.568 1.00 0.00 H new ATOM 1092 N TYR A 68 9.027 -10.147 -12.629 1.00 0.00 N ATOM 1093 CA TYR A 68 7.812 -9.767 -13.340 1.00 0.00 C ATOM 1094 C TYR A 68 8.134 -8.855 -14.520 1.00 0.00 C ATOM 1095 O TYR A 68 7.662 -9.075 -15.635 1.00 0.00 O ATOM 1096 CB TYR A 68 6.838 -9.066 -12.391 1.00 0.00 C ATOM 1097 CG TYR A 68 6.000 -10.021 -11.571 1.00 0.00 C ATOM 1098 CD1 TYR A 68 5.119 -10.904 -12.183 1.00 0.00 C ATOM 1099 CD2 TYR A 68 6.087 -10.038 -10.184 1.00 0.00 C ATOM 1100 CE1 TYR A 68 4.351 -11.778 -11.437 1.00 0.00 C ATOM 1101 CE2 TYR A 68 5.324 -10.909 -9.431 1.00 0.00 C ATOM 1102 CZ TYR A 68 4.457 -11.776 -10.062 1.00 0.00 C ATOM 1103 OH TYR A 68 3.693 -12.644 -9.316 1.00 0.00 O ATOM 0 H TYR A 68 9.084 -9.794 -11.674 1.00 0.00 H new ATOM 0 HA TYR A 68 7.346 -10.675 -13.722 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.401 -8.420 -11.718 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.177 -8.423 -12.972 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.033 -10.907 -13.260 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.763 -9.358 -9.686 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.672 -12.459 -11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.406 -10.911 -8.354 1.00 0.00 H new ATOM 0 HH TYR A 68 3.135 -13.185 -9.913 1.00 0.00 H new ATOM 1113 N ALA A 69 8.942 -7.831 -14.265 1.00 0.00 N ATOM 1114 CA ALA A 69 9.331 -6.887 -15.305 1.00 0.00 C ATOM 1115 C ALA A 69 10.003 -7.602 -16.472 1.00 0.00 C ATOM 1116 O ALA A 69 9.894 -7.174 -17.622 1.00 0.00 O ATOM 1117 CB ALA A 69 10.255 -5.823 -14.733 1.00 0.00 C ATOM 0 H ALA A 69 9.340 -7.634 -13.347 1.00 0.00 H new ATOM 0 HA ALA A 69 8.428 -6.405 -15.680 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.538 -5.125 -15.521 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.741 -5.284 -13.938 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.150 -6.297 -14.330 1.00 0.00 H new ATOM 1123 N LEU A 70 10.698 -8.693 -16.170 1.00 0.00 N ATOM 1124 CA LEU A 70 11.389 -9.468 -17.195 1.00 0.00 C ATOM 1125 C LEU A 70 10.392 -10.174 -18.108 1.00 0.00 C ATOM 1126 O LEU A 70 10.516 -10.127 -19.333 1.00 0.00 O ATOM 1127 CB LEU A 70 12.319 -10.495 -16.546 1.00 0.00 C ATOM 1128 CG LEU A 70 12.826 -11.612 -17.458 1.00 0.00 C ATOM 1129 CD1 LEU A 70 13.457 -11.031 -18.714 1.00 0.00 C ATOM 1130 CD2 LEU A 70 13.821 -12.494 -16.718 1.00 0.00 C ATOM 0 H LEU A 70 10.798 -9.061 -15.224 1.00 0.00 H new ATOM 0 HA LEU A 70 11.982 -8.780 -17.798 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.181 -9.968 -16.137 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.795 -10.949 -15.705 1.00 0.00 H new ATOM 0 HG LEU A 70 11.976 -12.227 -17.754 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.812 -11.841 -19.351 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.716 -10.442 -19.255 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.296 -10.392 -18.438 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.171 -13.284 -17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.669 -11.892 -16.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.336 -12.939 -15.849 1.00 0.00 H new ATOM 1142 N ILE A 71 9.404 -10.826 -17.505 1.00 0.00 N ATOM 1143 CA ILE A 71 8.384 -11.539 -18.265 1.00 0.00 C ATOM 1144 C ILE A 71 7.150 -10.669 -18.479 1.00 0.00 C ATOM 1145 O ILE A 71 6.049 -11.177 -18.687 1.00 0.00 O ATOM 1146 CB ILE A 71 7.964 -12.842 -17.559 1.00 0.00 C ATOM 1147 CG1 ILE A 71 7.323 -12.530 -16.204 1.00 0.00 C ATOM 1148 CG2 ILE A 71 9.164 -13.760 -17.384 1.00 0.00 C ATOM 1149 CD1 ILE A 71 6.870 -13.761 -15.452 1.00 0.00 C ATOM 0 H ILE A 71 9.288 -10.876 -16.493 1.00 0.00 H new ATOM 0 HA ILE A 71 8.824 -11.785 -19.231 1.00 0.00 H new ATOM 0 HB ILE A 71 7.228 -13.353 -18.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.038 -11.982 -15.590 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.467 -11.873 -16.359 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.851 -14.676 -16.884 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.581 -14.004 -18.361 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.921 -13.258 -16.782 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.426 -13.464 -14.502 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.131 -14.299 -16.046 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.726 -14.409 -15.265 1.00 0.00 H new ATOM 1161 N ASN A 72 7.343 -9.355 -18.428 1.00 0.00 N ATOM 1162 CA ASN A 72 6.245 -8.414 -18.618 1.00 0.00 C ATOM 1163 C ASN A 72 6.345 -7.729 -19.978 1.00 0.00 C ATOM 1164 O ASN A 72 5.339 -7.313 -20.550 1.00 0.00 O ATOM 1165 CB ASN A 72 6.247 -7.365 -17.504 1.00 0.00 C ATOM 1166 CG ASN A 72 5.301 -7.720 -16.374 1.00 0.00 C ATOM 1167 OD1 ASN A 72 5.101 -8.894 -16.062 1.00 0.00 O ATOM 1168 ND2 ASN A 72 4.713 -6.703 -15.754 1.00 0.00 N ATOM 0 H ASN A 72 8.249 -8.918 -18.257 1.00 0.00 H new ATOM 0 HA ASN A 72 5.310 -8.972 -18.580 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.257 -7.261 -17.109 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.966 -6.397 -17.919 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.066 -6.879 -14.986 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.909 -5.746 -16.046 1.00 0.00 H new ATOM 1175 N GLY A 73 7.567 -7.615 -20.489 1.00 0.00 N ATOM 1176 CA GLY A 73 7.776 -6.980 -21.777 1.00 0.00 C ATOM 1177 C GLY A 73 8.270 -7.953 -22.829 1.00 0.00 C ATOM 1178 O GLY A 73 8.154 -7.694 -24.027 1.00 0.00 O ATOM 0 H GLY A 73 8.416 -7.951 -20.034 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.842 -6.530 -22.113 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.498 -6.171 -21.667 1.00 0.00 H new ATOM 1182 N ASP A 74 8.822 -9.076 -22.382 1.00 0.00 N ATOM 1183 CA ASP A 74 9.336 -10.091 -23.295 1.00 0.00 C ATOM 1184 C ASP A 74 8.283 -10.474 -24.330 1.00 0.00 C ATOM 1185 O ASP A 74 7.141 -10.778 -23.984 1.00 0.00 O ATOM 1186 CB ASP A 74 9.777 -11.331 -22.515 1.00 0.00 C ATOM 1187 CG ASP A 74 10.965 -12.024 -23.154 1.00 0.00 C ATOM 1188 OD1 ASP A 74 11.480 -12.992 -22.556 1.00 0.00 O ATOM 1189 OD2 ASP A 74 11.379 -11.598 -24.253 1.00 0.00 O ATOM 0 H ASP A 74 8.925 -9.306 -21.394 1.00 0.00 H new ATOM 0 HA ASP A 74 10.197 -9.673 -23.817 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.033 -11.043 -21.495 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.944 -12.031 -22.449 1.00 0.00 H new ATOM 1194 N GLU A 75 8.675 -10.456 -25.600 1.00 0.00 N ATOM 1195 CA GLU A 75 7.763 -10.800 -26.685 1.00 0.00 C ATOM 1196 C GLU A 75 7.923 -12.264 -27.086 1.00 0.00 C ATOM 1197 O GLU A 75 7.641 -12.641 -28.224 1.00 0.00 O ATOM 1198 CB GLU A 75 8.012 -9.898 -27.895 1.00 0.00 C ATOM 1199 CG GLU A 75 7.299 -8.559 -27.813 1.00 0.00 C ATOM 1200 CD GLU A 75 7.263 -7.834 -29.144 1.00 0.00 C ATOM 1201 OE1 GLU A 75 6.412 -6.934 -29.306 1.00 0.00 O ATOM 1202 OE2 GLU A 75 8.084 -8.167 -30.024 1.00 0.00 O ATOM 0 H GLU A 75 9.617 -10.207 -25.903 1.00 0.00 H new ATOM 0 HA GLU A 75 6.743 -10.647 -26.331 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.084 -9.724 -27.993 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.689 -10.417 -28.797 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.279 -8.716 -27.461 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.798 -7.931 -27.075 1.00 0.00 H new ATOM 1209 N SER A 76 8.378 -13.084 -26.144 1.00 0.00 N ATOM 1210 CA SER A 76 8.580 -14.505 -26.400 1.00 0.00 C ATOM 1211 C SER A 76 8.078 -15.344 -25.229 1.00 0.00 C ATOM 1212 O SER A 76 8.598 -16.427 -24.959 1.00 0.00 O ATOM 1213 CB SER A 76 10.062 -14.794 -26.651 1.00 0.00 C ATOM 1214 OG SER A 76 10.808 -13.593 -26.738 1.00 0.00 O ATOM 0 H SER A 76 8.614 -12.789 -25.197 1.00 0.00 H new ATOM 0 HA SER A 76 8.009 -14.774 -27.289 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.456 -15.413 -25.845 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.174 -15.363 -27.574 1.00 0.00 H new ATOM 0 HG SER A 76 10.868 -13.180 -25.851 1.00 0.00 H new ATOM 1220 N ILE A 77 7.062 -14.837 -24.539 1.00 0.00 N ATOM 1221 CA ILE A 77 6.488 -15.539 -23.398 1.00 0.00 C ATOM 1222 C ILE A 77 4.968 -15.605 -23.501 1.00 0.00 C ATOM 1223 O ILE A 77 4.328 -14.670 -23.985 1.00 0.00 O ATOM 1224 CB ILE A 77 6.873 -14.864 -22.069 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.395 -14.782 -21.934 1.00 0.00 C ATOM 1226 CG2 ILE A 77 6.272 -15.623 -20.895 1.00 0.00 C ATOM 1227 CD1 ILE A 77 8.854 -13.972 -20.742 1.00 0.00 C ATOM 0 H ILE A 77 6.619 -13.943 -24.750 1.00 0.00 H new ATOM 0 HA ILE A 77 6.895 -16.550 -23.413 1.00 0.00 H new ATOM 0 HB ILE A 77 6.472 -13.850 -22.065 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.799 -15.791 -21.854 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.809 -14.343 -22.842 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.553 -15.133 -19.963 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.186 -15.633 -20.986 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.646 -16.647 -20.894 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.943 -13.957 -20.710 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.480 -12.952 -20.829 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.470 -14.422 -19.827 1.00 0.00 H new ATOM 1443 N TYR A 91 3.969 -18.485 -18.229 1.00 0.00 N ATOM 1444 CA TYR A 91 5.149 -17.647 -18.399 1.00 0.00 C ATOM 1445 C TYR A 91 6.295 -18.439 -19.021 1.00 0.00 C ATOM 1446 O TYR A 91 7.416 -18.440 -18.510 1.00 0.00 O ATOM 1447 CB TYR A 91 5.587 -17.067 -17.053 1.00 0.00 C ATOM 1448 CG TYR A 91 4.459 -16.433 -16.271 1.00 0.00 C ATOM 1449 CD1 TYR A 91 3.775 -15.332 -16.771 1.00 0.00 C ATOM 1450 CD2 TYR A 91 4.078 -16.933 -15.032 1.00 0.00 C ATOM 1451 CE1 TYR A 91 2.744 -14.748 -16.060 1.00 0.00 C ATOM 1452 CE2 TYR A 91 3.048 -16.357 -14.315 1.00 0.00 C ATOM 1453 CZ TYR A 91 2.384 -15.264 -14.833 1.00 0.00 C ATOM 1454 OH TYR A 91 1.358 -14.687 -14.121 1.00 0.00 O ATOM 0 HA TYR A 91 4.889 -16.830 -19.072 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.033 -17.860 -16.453 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.364 -16.321 -17.224 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.054 -14.926 -17.732 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.597 -17.787 -14.622 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.223 -13.892 -16.463 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.764 -16.760 -13.354 1.00 0.00 H new ATOM 0 HH TYR A 91 1.231 -15.172 -13.279 1.00 0.00 H new ATOM 1464 N THR A 92 6.007 -19.112 -20.131 1.00 0.00 N ATOM 1465 CA THR A 92 7.011 -19.909 -20.824 1.00 0.00 C ATOM 1466 C THR A 92 8.110 -19.025 -21.403 1.00 0.00 C ATOM 1467 O THR A 92 7.865 -17.878 -21.780 1.00 0.00 O ATOM 1468 CB THR A 92 6.383 -20.738 -21.960 1.00 0.00 C ATOM 1469 OG1 THR A 92 4.957 -20.752 -21.827 1.00 0.00 O ATOM 1470 CG2 THR A 92 6.913 -22.164 -21.946 1.00 0.00 C ATOM 0 H THR A 92 5.086 -19.121 -20.569 1.00 0.00 H new ATOM 0 HA THR A 92 7.443 -20.585 -20.086 1.00 0.00 H new ATOM 0 HB THR A 92 6.654 -20.276 -22.909 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.566 -21.280 -22.554 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.455 -22.730 -22.757 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.995 -22.151 -22.078 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.669 -22.633 -20.993 1.00 0.00 H new ATOM 1478 N LEU A 93 9.322 -19.565 -21.472 1.00 0.00 N ATOM 1479 CA LEU A 93 10.460 -18.825 -22.006 1.00 0.00 C ATOM 1480 C LEU A 93 10.939 -19.437 -23.318 1.00 0.00 C ATOM 1481 O LEU A 93 10.374 -20.418 -23.801 1.00 0.00 O ATOM 1482 CB LEU A 93 11.604 -18.807 -20.991 1.00 0.00 C ATOM 1483 CG LEU A 93 11.198 -18.637 -19.526 1.00 0.00 C ATOM 1484 CD1 LEU A 93 12.430 -18.501 -18.644 1.00 0.00 C ATOM 1485 CD2 LEU A 93 10.287 -17.429 -19.362 1.00 0.00 C ATOM 0 H LEU A 93 9.542 -20.512 -21.165 1.00 0.00 H new ATOM 0 HA LEU A 93 10.138 -17.802 -22.199 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.163 -19.738 -21.087 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.285 -17.998 -21.255 1.00 0.00 H new ATOM 0 HG LEU A 93 10.649 -19.526 -19.215 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.122 -18.381 -17.605 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.046 -19.395 -18.739 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.006 -17.629 -18.955 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.008 -17.323 -18.314 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.811 -16.531 -19.690 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.389 -17.566 -19.964 1.00 0.00 H new ATOM 1497 N GLY A 94 11.988 -18.852 -23.890 1.00 0.00 N ATOM 1498 CA GLY A 94 12.527 -19.355 -25.140 1.00 0.00 C ATOM 1499 C GLY A 94 12.822 -20.841 -25.089 1.00 0.00 C ATOM 1500 O GLY A 94 12.581 -21.562 -26.056 1.00 0.00 O ATOM 0 H GLY A 94 12.473 -18.039 -23.510 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.818 -19.156 -25.944 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.442 -18.814 -25.381 1.00 0.00 H new ATOM 1504 N ASP A 95 13.347 -21.299 -23.958 1.00 0.00 N ATOM 1505 CA ASP A 95 13.676 -22.709 -23.784 1.00 0.00 C ATOM 1506 C ASP A 95 12.543 -23.449 -23.079 1.00 0.00 C ATOM 1507 O ASP A 95 12.770 -24.449 -22.400 1.00 0.00 O ATOM 1508 CB ASP A 95 14.973 -22.858 -22.986 1.00 0.00 C ATOM 1509 CG ASP A 95 16.197 -22.473 -23.794 1.00 0.00 C ATOM 1510 OD1 ASP A 95 16.085 -22.384 -25.035 1.00 0.00 O ATOM 1511 OD2 ASP A 95 17.266 -22.259 -23.186 1.00 0.00 O ATOM 0 H ASP A 95 13.554 -20.715 -23.148 1.00 0.00 H new ATOM 0 HA ASP A 95 13.814 -23.149 -24.772 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.920 -22.235 -22.093 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.073 -23.890 -22.650 1.00 0.00 H new ATOM 1516 N GLY A 96 11.323 -22.948 -23.244 1.00 0.00 N ATOM 1517 CA GLY A 96 10.173 -23.573 -22.616 1.00 0.00 C ATOM 1518 C GLY A 96 10.368 -23.781 -21.128 1.00 0.00 C ATOM 1519 O GLY A 96 9.791 -24.698 -20.542 1.00 0.00 O ATOM 0 H GLY A 96 11.110 -22.121 -23.801 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.291 -22.954 -22.781 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.981 -24.534 -23.092 1.00 0.00 H new ATOM 1523 N SER A 97 11.183 -22.930 -20.514 1.00 0.00 N ATOM 1524 CA SER A 97 11.456 -23.028 -19.085 1.00 0.00 C ATOM 1525 C SER A 97 10.331 -22.396 -18.271 1.00 0.00 C ATOM 1526 O SER A 97 9.601 -21.536 -18.765 1.00 0.00 O ATOM 1527 CB SER A 97 12.786 -22.350 -18.750 1.00 0.00 C ATOM 1528 OG SER A 97 13.120 -22.528 -17.385 1.00 0.00 O ATOM 0 H SER A 97 11.666 -22.164 -20.984 1.00 0.00 H new ATOM 0 HA SER A 97 11.519 -24.085 -18.825 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.576 -22.762 -19.378 1.00 0.00 H new ATOM 0 HB3 SER A 97 12.722 -21.286 -18.976 1.00 0.00 H new ATOM 0 HG SER A 97 13.975 -22.087 -17.197 1.00 0.00 H new ATOM 1534 N SER A 98 10.198 -22.828 -17.022 1.00 0.00 N ATOM 1535 CA SER A 98 9.160 -22.308 -16.140 1.00 0.00 C ATOM 1536 C SER A 98 9.739 -21.295 -15.156 1.00 0.00 C ATOM 1537 O SER A 98 9.960 -21.606 -13.985 1.00 0.00 O ATOM 1538 CB SER A 98 8.489 -23.451 -15.376 1.00 0.00 C ATOM 1539 OG SER A 98 8.182 -24.531 -16.240 1.00 0.00 O ATOM 0 H SER A 98 10.796 -23.537 -16.597 1.00 0.00 H new ATOM 0 HA SER A 98 8.414 -21.805 -16.756 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.147 -23.795 -14.578 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.576 -23.089 -14.902 1.00 0.00 H new ATOM 0 HG SER A 98 7.756 -25.249 -15.727 1.00 0.00 H new ATOM 1545 N LEU A 99 9.984 -20.083 -15.641 1.00 0.00 N ATOM 1546 CA LEU A 99 10.539 -19.023 -14.806 1.00 0.00 C ATOM 1547 C LEU A 99 9.723 -18.853 -13.529 1.00 0.00 C ATOM 1548 O LEU A 99 8.639 -18.270 -13.547 1.00 0.00 O ATOM 1549 CB LEU A 99 10.577 -17.704 -15.580 1.00 0.00 C ATOM 1550 CG LEU A 99 11.535 -16.639 -15.046 1.00 0.00 C ATOM 1551 CD1 LEU A 99 12.861 -16.693 -15.790 1.00 0.00 C ATOM 1552 CD2 LEU A 99 10.913 -15.255 -15.161 1.00 0.00 C ATOM 0 H LEU A 99 9.807 -19.810 -16.608 1.00 0.00 H new ATOM 0 HA LEU A 99 11.555 -19.305 -14.531 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.846 -17.920 -16.614 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.571 -17.285 -15.594 1.00 0.00 H new ATOM 0 HG LEU A 99 11.724 -16.844 -13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.530 -15.928 -15.397 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.314 -17.675 -15.656 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.690 -16.514 -16.852 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.609 -14.510 -14.776 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.694 -15.040 -16.207 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.990 -15.222 -14.582 1.00 0.00 H new ATOM 1564 N GLN A 100 10.253 -19.363 -12.422 1.00 0.00 N ATOM 1565 CA GLN A 100 9.574 -19.266 -11.135 1.00 0.00 C ATOM 1566 C GLN A 100 10.036 -18.032 -10.368 1.00 0.00 C ATOM 1567 O GLN A 100 11.156 -17.555 -10.553 1.00 0.00 O ATOM 1568 CB GLN A 100 9.830 -20.524 -10.303 1.00 0.00 C ATOM 1569 CG GLN A 100 11.296 -20.741 -9.963 1.00 0.00 C ATOM 1570 CD GLN A 100 11.501 -21.203 -8.534 1.00 0.00 C ATOM 1571 OE1 GLN A 100 12.274 -20.608 -7.782 1.00 0.00 O ATOM 1572 NE2 GLN A 100 10.809 -22.269 -8.151 1.00 0.00 N ATOM 0 H GLN A 100 11.150 -19.847 -12.390 1.00 0.00 H new ATOM 0 HA GLN A 100 8.504 -19.175 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.257 -20.461 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.460 -21.392 -10.849 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.717 -21.480 -10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.843 -19.812 -10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.180 -22.731 -8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.907 -22.626 -7.200 1.00 0.00 H new ATOM 1581 N LYS A 101 9.166 -17.518 -9.505 1.00 0.00 N ATOM 1582 CA LYS A 101 9.483 -16.339 -8.708 1.00 0.00 C ATOM 1583 C LYS A 101 10.810 -16.518 -7.977 1.00 0.00 C ATOM 1584 O LYS A 101 11.297 -17.633 -7.788 1.00 0.00 O ATOM 1585 CB LYS A 101 8.366 -16.065 -7.698 1.00 0.00 C ATOM 1586 CG LYS A 101 7.231 -15.226 -8.260 1.00 0.00 C ATOM 1587 CD LYS A 101 5.978 -16.058 -8.478 1.00 0.00 C ATOM 1588 CE LYS A 101 4.722 -15.203 -8.403 1.00 0.00 C ATOM 1589 NZ LYS A 101 3.790 -15.679 -7.344 1.00 0.00 N ATOM 0 H LYS A 101 8.235 -17.900 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 101 9.571 -15.488 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.965 -17.015 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.788 -15.557 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.010 -14.406 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.541 -14.779 -9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.029 -16.547 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.928 -16.847 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.999 -14.168 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.214 -15.218 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.262 -14.871 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.123 -16.365 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.333 -16.134 -6.583 1.00 0.00 H new ATOM 1603 N PRO A 102 11.411 -15.395 -7.556 1.00 0.00 N ATOM 1604 CA PRO A 102 12.689 -15.402 -6.838 1.00 0.00 C ATOM 1605 C PRO A 102 12.560 -15.977 -5.432 1.00 0.00 C ATOM 1606 O PRO A 102 11.470 -16.010 -4.861 1.00 0.00 O ATOM 1607 CB PRO A 102 13.069 -13.921 -6.777 1.00 0.00 C ATOM 1608 CG PRO A 102 11.773 -13.192 -6.869 1.00 0.00 C ATOM 1609 CD PRO A 102 10.888 -14.032 -7.748 1.00 0.00 C ATOM 0 HA PRO A 102 13.432 -16.027 -7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 102 13.591 -13.684 -5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.735 -13.649 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.329 -13.058 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.914 -12.198 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.841 -13.958 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.947 -13.722 -8.791 1.00 0.00 H new ATOM 1617 N ASP A 103 13.680 -16.429 -4.878 1.00 0.00 N ATOM 1618 CA ASP A 103 13.693 -17.002 -3.537 1.00 0.00 C ATOM 1619 C ASP A 103 13.757 -15.906 -2.478 1.00 0.00 C ATOM 1620 O ASP A 103 14.791 -15.701 -1.843 1.00 0.00 O ATOM 1621 CB ASP A 103 14.880 -17.953 -3.377 1.00 0.00 C ATOM 1622 CG ASP A 103 14.577 -19.348 -3.887 1.00 0.00 C ATOM 1623 OD1 ASP A 103 14.099 -20.182 -3.089 1.00 0.00 O ATOM 1624 OD2 ASP A 103 14.817 -19.606 -5.085 1.00 0.00 O ATOM 0 H ASP A 103 14.591 -16.410 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 103 12.768 -17.562 -3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 103 15.739 -17.551 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.160 -18.007 -2.325 1.00 0.00 H new ATOM 1629 N VAL A 104 12.644 -15.202 -2.294 1.00 0.00 N ATOM 1630 CA VAL A 104 12.573 -14.127 -1.312 1.00 0.00 C ATOM 1631 C VAL A 104 11.582 -14.459 -0.203 1.00 0.00 C ATOM 1632 O VAL A 104 11.038 -13.565 0.447 1.00 0.00 O ATOM 1633 CB VAL A 104 12.165 -12.794 -1.968 1.00 0.00 C ATOM 1634 CG1 VAL A 104 13.100 -12.458 -3.120 1.00 0.00 C ATOM 1635 CG2 VAL A 104 10.721 -12.855 -2.442 1.00 0.00 C ATOM 0 H VAL A 104 11.779 -15.357 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 104 13.570 -14.023 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 104 12.246 -12.002 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.797 -11.513 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.120 -12.371 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.054 -13.249 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.449 -11.905 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.611 -13.657 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 104 10.067 -13.046 -1.591 1.00 0.00 H new ATOM 1645 N TYR A 105 11.351 -15.750 0.010 1.00 0.00 N ATOM 1646 CA TYR A 105 10.423 -16.201 1.040 1.00 0.00 C ATOM 1647 C TYR A 105 10.997 -15.961 2.433 1.00 0.00 C ATOM 1648 O TYR A 105 10.343 -15.372 3.293 1.00 0.00 O ATOM 1649 CB TYR A 105 10.106 -17.686 0.855 1.00 0.00 C ATOM 1650 CG TYR A 105 9.241 -18.261 1.953 1.00 0.00 C ATOM 1651 CD1 TYR A 105 9.639 -19.390 2.659 1.00 0.00 C ATOM 1652 CD2 TYR A 105 8.024 -17.678 2.285 1.00 0.00 C ATOM 1653 CE1 TYR A 105 8.852 -19.920 3.663 1.00 0.00 C ATOM 1654 CE2 TYR A 105 7.231 -18.200 3.288 1.00 0.00 C ATOM 1655 CZ TYR A 105 7.649 -19.321 3.974 1.00 0.00 C ATOM 1656 OH TYR A 105 6.861 -19.845 4.973 1.00 0.00 O ATOM 0 H TYR A 105 11.794 -16.503 -0.517 1.00 0.00 H new ATOM 0 HA TYR A 105 9.503 -15.625 0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.604 -17.825 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 105 11.040 -18.246 0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.580 -19.861 2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.692 -16.801 1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.177 -20.798 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.289 -17.733 3.534 1.00 0.00 H new ATOM 0 HH TYR A 105 6.049 -19.305 5.066 1.00 0.00 H new ATOM 1666 N ALA A 106 12.225 -16.422 2.647 1.00 0.00 N ATOM 1667 CA ALA A 106 12.889 -16.257 3.934 1.00 0.00 C ATOM 1668 C ALA A 106 13.083 -14.781 4.266 1.00 0.00 C ATOM 1669 O ALA A 106 13.195 -14.406 5.434 1.00 0.00 O ATOM 1670 CB ALA A 106 14.228 -16.980 3.934 1.00 0.00 C ATOM 0 H ALA A 106 12.780 -16.913 1.946 1.00 0.00 H new ATOM 0 HA ALA A 106 12.252 -16.695 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.713 -16.848 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 106 14.068 -18.042 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.864 -16.568 3.150 1.00 0.00 H new ATOM 1676 N LEU A 107 13.123 -13.948 3.232 1.00 0.00 N ATOM 1677 CA LEU A 107 13.305 -12.512 3.414 1.00 0.00 C ATOM 1678 C LEU A 107 12.082 -11.888 4.078 1.00 0.00 C ATOM 1679 O LEU A 107 12.205 -10.979 4.899 1.00 0.00 O ATOM 1680 CB LEU A 107 13.568 -11.836 2.067 1.00 0.00 C ATOM 1681 CG LEU A 107 14.884 -12.201 1.379 1.00 0.00 C ATOM 1682 CD1 LEU A 107 14.938 -11.606 -0.020 1.00 0.00 C ATOM 1683 CD2 LEU A 107 16.069 -11.728 2.208 1.00 0.00 C ATOM 0 H LEU A 107 13.032 -14.242 2.259 1.00 0.00 H new ATOM 0 HA LEU A 107 14.166 -12.360 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.748 -12.083 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.545 -10.756 2.214 1.00 0.00 H new ATOM 0 HG LEU A 107 14.937 -13.286 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.882 -11.876 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.110 -11.994 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.861 -10.521 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 107 16.997 -11.997 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.021 -10.646 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.039 -12.203 3.189 1.00 0.00 H new ATOM 1695 N ILE A 108 10.902 -12.383 3.718 1.00 0.00 N ATOM 1696 CA ILE A 108 9.657 -11.877 4.282 1.00 0.00 C ATOM 1697 C ILE A 108 9.020 -12.901 5.215 1.00 0.00 C ATOM 1698 O ILE A 108 7.869 -12.751 5.625 1.00 0.00 O ATOM 1699 CB ILE A 108 8.649 -11.507 3.178 1.00 0.00 C ATOM 1700 CG1 ILE A 108 8.550 -12.635 2.149 1.00 0.00 C ATOM 1701 CG2 ILE A 108 9.054 -10.204 2.506 1.00 0.00 C ATOM 1702 CD1 ILE A 108 7.172 -12.777 1.540 1.00 0.00 C ATOM 0 H ILE A 108 10.783 -13.134 3.038 1.00 0.00 H new ATOM 0 HA ILE A 108 9.908 -10.980 4.849 1.00 0.00 H new ATOM 0 HB ILE A 108 7.668 -11.369 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 108 9.273 -12.455 1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.827 -13.576 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.332 -9.956 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.078 -9.405 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.043 -10.316 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.175 -13.595 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.447 -12.988 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.900 -11.850 1.035 1.00 0.00 H new ATOM 1714 N LYS A 109 9.776 -13.941 5.549 1.00 0.00 N ATOM 1715 CA LYS A 109 9.288 -14.989 6.437 1.00 0.00 C ATOM 1716 C LYS A 109 9.309 -14.525 7.890 1.00 0.00 C ATOM 1717 O LYS A 109 8.787 -15.203 8.775 1.00 0.00 O ATOM 1718 CB LYS A 109 10.137 -16.253 6.282 1.00 0.00 C ATOM 1719 CG LYS A 109 9.651 -17.419 7.126 1.00 0.00 C ATOM 1720 CD LYS A 109 10.295 -18.726 6.694 1.00 0.00 C ATOM 1721 CE LYS A 109 11.586 -18.989 7.454 1.00 0.00 C ATOM 1722 NZ LYS A 109 11.474 -20.177 8.344 1.00 0.00 N ATOM 0 H LYS A 109 10.730 -14.081 5.218 1.00 0.00 H new ATOM 0 HA LYS A 109 8.258 -15.214 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 109 10.142 -16.551 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 109 11.168 -16.024 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 109 9.878 -17.230 8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.567 -17.502 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 109 9.599 -19.548 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.501 -18.695 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.400 -19.142 6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.842 -18.112 8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.374 -20.322 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.714 -20.021 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.255 -21.019 7.774 1.00 0.00 H new ATOM 1736 N ASP A 110 9.913 -13.366 8.127 1.00 0.00 N ATOM 1737 CA ASP A 110 9.999 -12.811 9.473 1.00 0.00 C ATOM 1738 C ASP A 110 8.786 -11.937 9.779 1.00 0.00 C ATOM 1739 O ASP A 110 8.401 -11.775 10.937 1.00 0.00 O ATOM 1740 CB ASP A 110 11.283 -11.995 9.630 1.00 0.00 C ATOM 1741 CG ASP A 110 12.301 -12.683 10.518 1.00 0.00 C ATOM 1742 OD1 ASP A 110 13.444 -12.892 10.059 1.00 0.00 O ATOM 1743 OD2 ASP A 110 11.955 -13.011 11.672 1.00 0.00 O ATOM 0 H ASP A 110 10.350 -12.793 7.405 1.00 0.00 H new ATOM 0 HA ASP A 110 10.015 -13.640 10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.721 -11.820 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 110 11.041 -11.018 10.049 1.00 0.00 H new ATOM 1748 N TYR A 111 8.189 -11.376 8.733 1.00 0.00 N ATOM 1749 CA TYR A 111 7.022 -10.516 8.890 1.00 0.00 C ATOM 1750 C TYR A 111 5.761 -11.211 8.384 1.00 0.00 C ATOM 1751 O TYR A 111 4.962 -10.620 7.658 1.00 0.00 O ATOM 1752 CB TYR A 111 7.228 -9.199 8.139 1.00 0.00 C ATOM 1753 CG TYR A 111 8.590 -8.582 8.363 1.00 0.00 C ATOM 1754 CD1 TYR A 111 9.626 -8.793 7.461 1.00 0.00 C ATOM 1755 CD2 TYR A 111 8.841 -7.788 9.475 1.00 0.00 C ATOM 1756 CE1 TYR A 111 10.872 -8.231 7.661 1.00 0.00 C ATOM 1757 CE2 TYR A 111 10.084 -7.222 9.682 1.00 0.00 C ATOM 1758 CZ TYR A 111 11.096 -7.446 8.773 1.00 0.00 C ATOM 1759 OH TYR A 111 12.336 -6.885 8.976 1.00 0.00 O ATOM 0 H TYR A 111 8.494 -11.501 7.768 1.00 0.00 H new ATOM 0 HA TYR A 111 6.898 -10.305 9.952 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.088 -9.373 7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.461 -8.489 8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.454 -9.407 6.589 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.051 -7.610 10.190 1.00 0.00 H new ATOM 0 HE1 TYR A 111 11.667 -8.405 6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.262 -6.607 10.552 1.00 0.00 H new ATOM 0 HH TYR A 111 12.935 -7.143 8.245 1.00 0.00 H new ATOM 1769 N VAL A 112 5.591 -12.470 8.774 1.00 0.00 N ATOM 1770 CA VAL A 112 4.427 -13.247 8.363 1.00 0.00 C ATOM 1771 C VAL A 112 3.451 -13.428 9.520 1.00 0.00 C ATOM 1772 O VAL A 112 3.706 -14.198 10.447 1.00 0.00 O ATOM 1773 CB VAL A 112 4.837 -14.632 7.829 1.00 0.00 C ATOM 1774 CG1 VAL A 112 3.608 -15.443 7.449 1.00 0.00 C ATOM 1775 CG2 VAL A 112 5.780 -14.488 6.644 1.00 0.00 C ATOM 0 H VAL A 112 6.244 -12.974 9.374 1.00 0.00 H new ATOM 0 HA VAL A 112 3.939 -12.688 7.564 1.00 0.00 H new ATOM 0 HB VAL A 112 5.364 -15.166 8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.918 -16.418 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.974 -15.576 8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.050 -14.917 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.060 -15.476 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 112 5.282 -13.935 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.675 -13.949 6.955 1.00 0.00 H new ATOM 1910 N ILE A 122 -10.477 -19.290 0.169 1.00 0.00 N ATOM 1911 CA ILE A 122 -11.554 -20.131 0.676 1.00 0.00 C ATOM 1912 C ILE A 122 -12.262 -20.862 -0.460 1.00 0.00 C ATOM 1913 O ILE A 122 -12.425 -20.319 -1.553 1.00 0.00 O ATOM 1914 CB ILE A 122 -12.589 -19.307 1.465 1.00 0.00 C ATOM 1915 CG1 ILE A 122 -11.944 -18.695 2.710 1.00 0.00 C ATOM 1916 CG2 ILE A 122 -13.776 -20.177 1.850 1.00 0.00 C ATOM 1917 CD1 ILE A 122 -12.219 -17.217 2.869 1.00 0.00 C ATOM 0 HA ILE A 122 -11.096 -20.860 1.345 1.00 0.00 H new ATOM 0 HB ILE A 122 -12.948 -18.497 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -12.307 -19.221 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -10.866 -18.853 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -14.499 -19.581 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -14.247 -20.569 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -13.434 -21.005 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -11.731 -16.851 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -11.831 -16.680 2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -13.294 -17.053 2.946 1.00 0.00 H new ATOM 1929 N GLU A 123 -12.682 -22.094 -0.193 1.00 0.00 N ATOM 1930 CA GLU A 123 -13.374 -22.899 -1.194 1.00 0.00 C ATOM 1931 C GLU A 123 -12.468 -23.175 -2.391 1.00 0.00 C ATOM 1932 O GLU A 123 -12.937 -23.558 -3.462 1.00 0.00 O ATOM 1933 CB GLU A 123 -14.648 -22.190 -1.658 1.00 0.00 C ATOM 1934 CG GLU A 123 -15.926 -22.867 -1.189 1.00 0.00 C ATOM 1935 CD GLU A 123 -17.168 -22.269 -1.820 1.00 0.00 C ATOM 1936 OE1 GLU A 123 -17.744 -22.915 -2.721 1.00 0.00 O ATOM 1937 OE2 GLU A 123 -17.564 -21.157 -1.414 1.00 0.00 O ATOM 0 H GLU A 123 -12.556 -22.557 0.707 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.642 -23.851 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -14.636 -21.163 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -14.651 -22.141 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -15.878 -23.930 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -15.999 -22.786 -0.104 1.00 0.00 H new ATOM 1944 N ALA A 124 -11.168 -22.976 -2.200 1.00 0.00 N ATOM 1945 CA ALA A 124 -10.196 -23.205 -3.262 1.00 0.00 C ATOM 1946 C ALA A 124 -9.557 -24.583 -3.134 1.00 0.00 C ATOM 1947 O ALA A 124 -9.477 -25.335 -4.105 1.00 0.00 O ATOM 1948 CB ALA A 124 -9.129 -22.121 -3.243 1.00 0.00 C ATOM 0 H ALA A 124 -10.764 -22.657 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 124 -10.721 -23.165 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.410 -22.304 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.596 -21.148 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.615 -22.133 -2.282 1.00 0.00 H new ATOM 1954 N LYS A 125 -9.101 -24.908 -1.929 1.00 0.00 N ATOM 1955 CA LYS A 125 -8.468 -26.196 -1.672 1.00 0.00 C ATOM 1956 C LYS A 125 -9.502 -27.318 -1.660 1.00 0.00 C ATOM 1957 O LYS A 125 -9.260 -28.404 -2.186 1.00 0.00 O ATOM 1958 CB LYS A 125 -7.719 -26.163 -0.337 1.00 0.00 C ATOM 1959 CG LYS A 125 -6.597 -27.183 -0.244 1.00 0.00 C ATOM 1960 CD LYS A 125 -5.340 -26.575 0.356 1.00 0.00 C ATOM 1961 CE LYS A 125 -4.115 -27.425 0.061 1.00 0.00 C ATOM 1962 NZ LYS A 125 -4.155 -28.726 0.785 1.00 0.00 N ATOM 0 H LYS A 125 -9.158 -24.297 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.757 -26.390 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -7.306 -25.166 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -8.428 -26.340 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.921 -28.027 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.375 -27.573 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.193 -25.572 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -5.463 -26.473 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.050 -27.608 -1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.216 -26.878 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.280 -28.844 1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.973 -28.741 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -4.240 -29.503 0.099 1.00 0.00 H new ATOM 1976 N VAL A 126 -10.655 -27.047 -1.056 1.00 0.00 N ATOM 1977 CA VAL A 126 -11.726 -28.032 -0.978 1.00 0.00 C ATOM 1978 C VAL A 126 -12.272 -28.362 -2.362 1.00 0.00 C ATOM 1979 O VAL A 126 -12.692 -29.489 -2.623 1.00 0.00 O ATOM 1980 CB VAL A 126 -12.881 -27.536 -0.088 1.00 0.00 C ATOM 1981 CG1 VAL A 126 -13.966 -28.596 0.020 1.00 0.00 C ATOM 1982 CG2 VAL A 126 -12.363 -27.149 1.290 1.00 0.00 C ATOM 0 H VAL A 126 -10.871 -26.153 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 126 -11.297 -28.931 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 126 -13.317 -26.650 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -14.773 -28.227 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -14.356 -28.820 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -13.547 -29.502 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -13.192 -26.801 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -11.900 -28.016 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -11.625 -26.353 1.191 1.00 0.00 H new ATOM 1992 N ARG A 127 -12.263 -27.370 -3.248 1.00 0.00 N ATOM 1993 CA ARG A 127 -12.758 -27.555 -4.606 1.00 0.00 C ATOM 1994 C ARG A 127 -11.811 -28.436 -5.415 1.00 0.00 C ATOM 1995 O ARG A 127 -12.225 -29.099 -6.366 1.00 0.00 O ATOM 1996 CB ARG A 127 -12.928 -26.201 -5.298 1.00 0.00 C ATOM 1997 CG ARG A 127 -14.362 -25.699 -5.311 1.00 0.00 C ATOM 1998 CD ARG A 127 -14.612 -24.754 -6.477 1.00 0.00 C ATOM 1999 NE ARG A 127 -14.511 -23.353 -6.077 1.00 0.00 N ATOM 2000 CZ ARG A 127 -14.817 -22.337 -6.877 1.00 0.00 C ATOM 2001 NH1 ARG A 127 -15.241 -22.566 -8.112 1.00 0.00 N ATOM 2002 NH2 ARG A 127 -14.699 -21.090 -6.441 1.00 0.00 N ATOM 0 H ARG A 127 -11.918 -26.431 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 127 -13.727 -28.051 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -12.299 -25.465 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -12.570 -26.280 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -15.045 -26.546 -5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -14.578 -25.187 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -13.892 -24.958 -7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -15.603 -24.942 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 127 -14.188 -23.143 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -15.333 -23.524 -8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -15.475 -21.784 -8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -14.373 -20.910 -5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -14.934 -20.311 -7.055 1.00 0.00 H new ATOM 2016 N MET A 128 -10.539 -28.438 -5.031 1.00 0.00 N ATOM 2017 CA MET A 128 -9.534 -29.238 -5.720 1.00 0.00 C ATOM 2018 C MET A 128 -9.443 -30.636 -5.115 1.00 0.00 C ATOM 2019 O MET A 128 -9.634 -31.636 -5.807 1.00 0.00 O ATOM 2020 CB MET A 128 -8.169 -28.551 -5.652 1.00 0.00 C ATOM 2021 CG MET A 128 -8.160 -27.157 -6.259 1.00 0.00 C ATOM 2022 SD MET A 128 -8.029 -27.183 -8.057 1.00 0.00 S ATOM 2023 CE MET A 128 -8.939 -25.701 -8.484 1.00 0.00 C ATOM 0 H MET A 128 -10.180 -27.894 -4.246 1.00 0.00 H new ATOM 0 HA MET A 128 -9.834 -29.331 -6.764 1.00 0.00 H new ATOM 0 HB2 MET A 128 -7.855 -28.487 -4.610 1.00 0.00 H new ATOM 0 HB3 MET A 128 -7.434 -29.168 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 128 -9.073 -26.634 -5.973 1.00 0.00 H new ATOM 0 HG3 MET A 128 -7.325 -26.591 -5.846 1.00 0.00 H new ATOM 0 HE1 MET A 128 -8.947 -25.579 -9.567 1.00 0.00 H new ATOM 0 HE2 MET A 128 -9.963 -25.785 -8.120 1.00 0.00 H new ATOM 0 HE3 MET A 128 -8.461 -24.836 -8.025 1.00 0.00 H new ATOM 2033 N ARG A 129 -9.149 -30.697 -3.820 1.00 0.00 N ATOM 2034 CA ARG A 129 -9.031 -31.972 -3.122 1.00 0.00 C ATOM 2035 C ARG A 129 -10.266 -32.836 -3.358 1.00 0.00 C ATOM 2036 O ARG A 129 -10.180 -34.064 -3.391 1.00 0.00 O ATOM 2037 CB ARG A 129 -8.835 -31.741 -1.623 1.00 0.00 C ATOM 2038 CG ARG A 129 -7.482 -31.144 -1.270 1.00 0.00 C ATOM 2039 CD ARG A 129 -7.191 -31.265 0.217 1.00 0.00 C ATOM 2040 NE ARG A 129 -5.772 -31.488 0.480 1.00 0.00 N ATOM 2041 CZ ARG A 129 -5.275 -31.708 1.692 1.00 0.00 C ATOM 2042 NH1 ARG A 129 -6.078 -31.735 2.747 1.00 0.00 N ATOM 2043 NH2 ARG A 129 -3.972 -31.902 1.851 1.00 0.00 N ATOM 0 H ARG A 129 -8.988 -29.878 -3.233 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.161 -32.496 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -9.621 -31.078 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -8.952 -32.690 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.701 -31.650 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.459 -30.094 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.516 -30.357 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.771 -32.088 0.634 1.00 0.00 H new ATOM 0 HE ARG A 129 -5.127 -31.474 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.080 -31.587 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.693 -31.904 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.351 -31.882 1.042 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -3.591 -32.071 2.782 1.00 0.00 H new ATOM 2057 N SER A 130 -11.415 -32.187 -3.519 1.00 0.00 N ATOM 2058 CA SER A 130 -12.668 -32.896 -3.747 1.00 0.00 C ATOM 2059 C SER A 130 -13.343 -32.411 -5.026 1.00 0.00 C ATOM 2060 O SER A 130 -14.521 -32.053 -5.022 1.00 0.00 O ATOM 2061 CB SER A 130 -13.610 -32.705 -2.556 1.00 0.00 C ATOM 2062 OG SER A 130 -13.175 -33.456 -1.436 1.00 0.00 O ATOM 0 H SER A 130 -11.504 -31.171 -3.496 1.00 0.00 H new ATOM 0 HA SER A 130 -12.442 -33.957 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 130 -13.659 -31.648 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 130 -14.619 -33.011 -2.833 1.00 0.00 H new ATOM 0 HG SER A 130 -13.793 -33.316 -0.688 1.00 0.00 H new