USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 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 1 SER N :NH3+ -136:sc= 0.316 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.14 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 93:sc= 0.863 USER MOD Single : A 8 CYS SG : rot -140:sc= -0.607 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.123 (180deg=-0.698) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.183 F(o=-1.2,f=-0.18) USER MOD Single : A 26 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.8!) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= -3.81! (180deg=-4.94!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.466 F(o=-1.8,f=-0.47) USER MOD Single : A 47 THR OG1 : rot 102:sc= 1.2 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 64:sc= -0.0302 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 155:sc=-0.00063 (180deg=-0.265) USER MOD Single : A 79 MET CE :methyl -172:sc= -1.19 (180deg=-1.53) USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 1 -3.904 3.892 -9.607 1.00 0.00 N ATOM 64 CA SER A 1 -4.616 4.336 -10.799 1.00 0.00 C ATOM 65 C SER A 1 -4.473 3.319 -11.928 1.00 0.00 C ATOM 66 O SER A 1 -5.464 2.853 -12.487 1.00 0.00 O ATOM 67 CB SER A 1 -4.090 5.699 -11.255 1.00 0.00 C ATOM 68 OG SER A 1 -2.743 5.884 -10.858 1.00 0.00 O ATOM 0 H1 SER A 1 -4.498 4.052 -8.768 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.687 2.878 -9.690 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.018 4.429 -9.511 1.00 0.00 H new ATOM 0 HA SER A 1 -5.673 4.428 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.167 5.778 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.709 6.491 -10.833 1.00 0.00 H new ATOM 0 HG SER A 1 -2.430 6.761 -11.163 1.00 0.00 H new ATOM 74 N ALA A 2 -3.230 2.981 -12.256 1.00 0.00 N ATOM 75 CA ALA A 2 -2.956 2.018 -13.316 1.00 0.00 C ATOM 76 C ALA A 2 -3.460 0.629 -12.940 1.00 0.00 C ATOM 77 O ALA A 2 -3.678 -0.218 -13.806 1.00 0.00 O ATOM 78 CB ALA A 2 -1.465 1.977 -13.618 1.00 0.00 C ATOM 0 H ALA A 2 -2.398 3.359 -11.804 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.489 2.339 -14.211 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.274 1.254 -14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.131 2.964 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.920 1.684 -12.721 1.00 0.00 H new ATOM 84 N ASP A 3 -3.643 0.402 -11.644 1.00 0.00 N ATOM 85 CA ASP A 3 -4.122 -0.885 -11.153 1.00 0.00 C ATOM 86 C ASP A 3 -5.626 -1.023 -11.370 1.00 0.00 C ATOM 87 O ASP A 3 -6.106 -2.064 -11.820 1.00 0.00 O ATOM 88 CB ASP A 3 -3.791 -1.044 -9.669 1.00 0.00 C ATOM 89 CG ASP A 3 -3.657 -2.497 -9.258 1.00 0.00 C ATOM 90 OD1 ASP A 3 -2.567 -3.072 -9.457 1.00 0.00 O ATOM 91 OD2 ASP A 3 -4.644 -3.061 -8.739 1.00 0.00 O ATOM 0 H ASP A 3 -3.467 1.093 -10.914 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.618 -1.671 -11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.861 -0.520 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.572 -0.571 -9.073 1.00 0.00 H new ATOM 96 N LEU A 4 -6.365 0.032 -11.045 1.00 0.00 N ATOM 97 CA LEU A 4 -7.815 0.029 -11.202 1.00 0.00 C ATOM 98 C LEU A 4 -8.202 0.045 -12.677 1.00 0.00 C ATOM 99 O LEU A 4 -9.127 -0.652 -13.095 1.00 0.00 O ATOM 100 CB LEU A 4 -8.428 1.235 -10.489 1.00 0.00 C ATOM 101 CG LEU A 4 -9.955 1.280 -10.438 1.00 0.00 C ATOM 102 CD1 LEU A 4 -10.439 1.352 -8.998 1.00 0.00 C ATOM 103 CD2 LEU A 4 -10.482 2.462 -11.239 1.00 0.00 C ATOM 0 H LEU A 4 -5.984 0.901 -10.671 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.203 -0.886 -10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.050 1.258 -9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.074 2.141 -10.981 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.341 0.364 -10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.528 1.383 -8.981 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.093 0.473 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.043 2.251 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.571 2.478 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.087 3.389 -10.823 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.166 2.367 -12.278 1.00 0.00 H new ATOM 115 N VAL A 5 -7.487 0.843 -13.463 1.00 0.00 N ATOM 116 CA VAL A 5 -7.754 0.948 -14.893 1.00 0.00 C ATOM 117 C VAL A 5 -7.410 -0.352 -15.612 1.00 0.00 C ATOM 118 O VAL A 5 -8.226 -0.896 -16.356 1.00 0.00 O ATOM 119 CB VAL A 5 -6.955 2.101 -15.530 1.00 0.00 C ATOM 120 CG1 VAL A 5 -7.171 2.132 -17.035 1.00 0.00 C ATOM 121 CG2 VAL A 5 -7.345 3.429 -14.900 1.00 0.00 C ATOM 0 H VAL A 5 -6.718 1.427 -13.134 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.819 1.150 -15.003 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.894 1.933 -15.343 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.599 2.953 -17.468 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.839 1.189 -17.470 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.230 2.276 -17.248 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.771 4.233 -15.361 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.409 3.607 -15.056 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.134 3.400 -13.831 1.00 0.00 H new ATOM 131 N SER A 6 -6.197 -0.845 -15.384 1.00 0.00 N ATOM 132 CA SER A 6 -5.744 -2.080 -16.013 1.00 0.00 C ATOM 133 C SER A 6 -6.620 -3.257 -15.594 1.00 0.00 C ATOM 134 O SER A 6 -6.922 -4.138 -16.399 1.00 0.00 O ATOM 135 CB SER A 6 -4.286 -2.359 -15.645 1.00 0.00 C ATOM 136 OG SER A 6 -3.816 -3.537 -16.278 1.00 0.00 O ATOM 0 H SER A 6 -5.511 -0.408 -14.769 1.00 0.00 H new ATOM 0 HA SER A 6 -5.822 -1.958 -17.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.665 -1.512 -15.939 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.194 -2.462 -14.564 1.00 0.00 H new ATOM 0 HG SER A 6 -2.881 -3.692 -16.028 1.00 0.00 H new ATOM 142 N SER A 7 -7.026 -3.263 -14.328 1.00 0.00 N ATOM 143 CA SER A 7 -7.864 -4.333 -13.800 1.00 0.00 C ATOM 144 C SER A 7 -9.286 -4.228 -14.344 1.00 0.00 C ATOM 145 O SER A 7 -9.829 -5.194 -14.881 1.00 0.00 O ATOM 146 CB SER A 7 -7.886 -4.284 -12.271 1.00 0.00 C ATOM 147 OG SER A 7 -6.649 -4.713 -11.729 1.00 0.00 O ATOM 0 H SER A 7 -6.788 -2.539 -13.650 1.00 0.00 H new ATOM 0 HA SER A 7 -7.440 -5.285 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.099 -3.268 -11.940 1.00 0.00 H new ATOM 0 HB3 SER A 7 -8.690 -4.917 -11.895 1.00 0.00 H new ATOM 0 HG SER A 7 -6.067 -3.937 -11.589 1.00 0.00 H new ATOM 153 N CYS A 8 -9.881 -3.049 -14.201 1.00 0.00 N ATOM 154 CA CYS A 8 -11.240 -2.817 -14.677 1.00 0.00 C ATOM 155 C CYS A 8 -11.335 -3.043 -16.182 1.00 0.00 C ATOM 156 O CYS A 8 -12.308 -3.616 -16.675 1.00 0.00 O ATOM 157 CB CYS A 8 -11.687 -1.395 -14.334 1.00 0.00 C ATOM 158 SG CYS A 8 -12.132 -1.159 -12.598 1.00 0.00 S ATOM 0 H CYS A 8 -9.444 -2.240 -13.760 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.899 -3.528 -14.179 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.885 -0.702 -14.590 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.544 -1.135 -14.956 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.180 -0.394 -12.519 1.00 0.00 H new ATOM 164 N LYS A 9 -10.320 -2.589 -16.909 1.00 0.00 N ATOM 165 CA LYS A 9 -10.288 -2.741 -18.359 1.00 0.00 C ATOM 166 C LYS A 9 -10.172 -4.211 -18.749 1.00 0.00 C ATOM 167 O LYS A 9 -10.984 -4.725 -19.519 1.00 0.00 O ATOM 168 CB LYS A 9 -9.118 -1.952 -18.949 1.00 0.00 C ATOM 169 CG LYS A 9 -8.823 -2.294 -20.400 1.00 0.00 C ATOM 170 CD LYS A 9 -7.505 -3.036 -20.541 1.00 0.00 C ATOM 171 CE LYS A 9 -7.662 -4.298 -21.375 1.00 0.00 C ATOM 172 NZ LYS A 9 -6.377 -5.038 -21.508 1.00 0.00 N ATOM 0 H LYS A 9 -9.508 -2.112 -16.517 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.222 -2.349 -18.761 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.334 -0.886 -18.872 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.226 -2.140 -18.352 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.631 -2.906 -20.802 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.791 -1.379 -20.991 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.766 -2.382 -21.004 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.125 -3.296 -19.553 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.409 -4.946 -20.916 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.034 -4.035 -22.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.526 -5.892 -22.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.672 -4.429 -21.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.035 -5.311 -20.565 1.00 0.00 H new ATOM 186 N ASP A 10 -9.159 -4.883 -18.213 1.00 0.00 N ATOM 187 CA ASP A 10 -8.938 -6.295 -18.503 1.00 0.00 C ATOM 188 C ASP A 10 -10.215 -7.101 -18.283 1.00 0.00 C ATOM 189 O ASP A 10 -10.589 -7.930 -19.112 1.00 0.00 O ATOM 190 CB ASP A 10 -7.813 -6.848 -17.627 1.00 0.00 C ATOM 191 CG ASP A 10 -7.746 -8.362 -17.658 1.00 0.00 C ATOM 192 OD1 ASP A 10 -7.676 -8.929 -18.768 1.00 0.00 O ATOM 193 OD2 ASP A 10 -7.764 -8.980 -16.573 1.00 0.00 O ATOM 0 H ASP A 10 -8.477 -4.472 -17.575 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.649 -6.385 -19.550 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.860 -6.438 -17.963 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.959 -6.515 -16.600 1.00 0.00 H new ATOM 198 N LYS A 11 -10.879 -6.852 -17.159 1.00 0.00 N ATOM 199 CA LYS A 11 -12.113 -7.554 -16.828 1.00 0.00 C ATOM 200 C LYS A 11 -13.245 -7.132 -17.760 1.00 0.00 C ATOM 201 O LYS A 11 -13.911 -7.973 -18.365 1.00 0.00 O ATOM 202 CB LYS A 11 -12.506 -7.279 -15.375 1.00 0.00 C ATOM 203 CG LYS A 11 -11.410 -7.607 -14.376 1.00 0.00 C ATOM 204 CD LYS A 11 -11.698 -8.903 -13.637 1.00 0.00 C ATOM 205 CE LYS A 11 -10.715 -9.125 -12.497 1.00 0.00 C ATOM 206 NZ LYS A 11 -11.350 -8.905 -11.168 1.00 0.00 N ATOM 0 H LYS A 11 -10.583 -6.169 -16.462 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.940 -8.623 -16.955 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.776 -6.228 -15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.394 -7.862 -15.131 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.455 -7.688 -14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.314 -6.792 -13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.714 -8.881 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.644 -9.740 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.322 -10.140 -12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.867 -8.449 -12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.649 -9.066 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.703 -7.928 -11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.143 -9.567 -11.048 1.00 0.00 H new ATOM 220 N LEU A 12 -13.456 -5.825 -17.873 1.00 0.00 N ATOM 221 CA LEU A 12 -14.507 -5.292 -18.733 1.00 0.00 C ATOM 222 C LEU A 12 -14.385 -5.846 -20.149 1.00 0.00 C ATOM 223 O LEU A 12 -15.383 -6.197 -20.777 1.00 0.00 O ATOM 224 CB LEU A 12 -14.442 -3.764 -18.763 1.00 0.00 C ATOM 225 CG LEU A 12 -15.583 -3.058 -19.497 1.00 0.00 C ATOM 226 CD1 LEU A 12 -16.464 -2.304 -18.513 1.00 0.00 C ATOM 227 CD2 LEU A 12 -15.032 -2.113 -20.555 1.00 0.00 C ATOM 0 H LEU A 12 -12.914 -5.115 -17.380 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.469 -5.601 -18.324 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.418 -3.401 -17.735 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.501 -3.469 -19.227 1.00 0.00 H new ATOM 0 HG LEU A 12 -16.192 -3.813 -19.994 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -17.270 -1.808 -19.053 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -16.887 -3.004 -17.793 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.867 -1.559 -17.987 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.858 -1.619 -21.067 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.400 -1.363 -20.079 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.443 -2.679 -21.277 1.00 0.00 H new ATOM 239 N ALA A 13 -13.154 -5.922 -20.645 1.00 0.00 N ATOM 240 CA ALA A 13 -12.901 -6.437 -21.985 1.00 0.00 C ATOM 241 C ALA A 13 -13.184 -7.934 -22.060 1.00 0.00 C ATOM 242 O ALA A 13 -13.791 -8.413 -23.018 1.00 0.00 O ATOM 243 CB ALA A 13 -11.466 -6.147 -22.399 1.00 0.00 C ATOM 0 H ALA A 13 -12.317 -5.633 -20.139 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.576 -5.932 -22.676 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.291 -6.537 -23.402 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.296 -5.070 -22.394 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.781 -6.626 -21.699 1.00 0.00 H new ATOM 249 N TYR A 14 -12.740 -8.666 -21.045 1.00 0.00 N ATOM 250 CA TYR A 14 -12.943 -10.110 -20.998 1.00 0.00 C ATOM 251 C TYR A 14 -14.401 -10.446 -20.699 1.00 0.00 C ATOM 252 O TYR A 14 -14.838 -11.582 -20.882 1.00 0.00 O ATOM 253 CB TYR A 14 -12.036 -10.739 -19.939 1.00 0.00 C ATOM 254 CG TYR A 14 -12.108 -12.249 -19.900 1.00 0.00 C ATOM 255 CD1 TYR A 14 -12.018 -12.999 -21.066 1.00 0.00 C ATOM 256 CD2 TYR A 14 -12.264 -12.925 -18.696 1.00 0.00 C ATOM 257 CE1 TYR A 14 -12.084 -14.378 -21.035 1.00 0.00 C ATOM 258 CE2 TYR A 14 -12.330 -14.304 -18.656 1.00 0.00 C ATOM 259 CZ TYR A 14 -12.240 -15.026 -19.827 1.00 0.00 C ATOM 260 OH TYR A 14 -12.305 -16.400 -19.792 1.00 0.00 O ATOM 0 H TYR A 14 -12.237 -8.284 -20.244 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.688 -10.519 -21.976 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.006 -10.437 -20.129 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.308 -10.345 -18.960 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.894 -12.495 -22.013 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.335 -12.363 -17.777 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.014 -14.946 -21.951 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.452 -14.814 -17.712 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.415 -16.699 -18.865 1.00 0.00 H new ATOM 270 N PHE A 15 -15.149 -9.448 -20.239 1.00 0.00 N ATOM 271 CA PHE A 15 -16.558 -9.636 -19.914 1.00 0.00 C ATOM 272 C PHE A 15 -17.447 -9.181 -21.068 1.00 0.00 C ATOM 273 O PHE A 15 -17.265 -8.093 -21.614 1.00 0.00 O ATOM 274 CB PHE A 15 -16.917 -8.865 -18.643 1.00 0.00 C ATOM 275 CG PHE A 15 -16.606 -9.614 -17.379 1.00 0.00 C ATOM 276 CD1 PHE A 15 -17.146 -10.870 -17.152 1.00 0.00 C ATOM 277 CD2 PHE A 15 -15.775 -9.063 -16.417 1.00 0.00 C ATOM 278 CE1 PHE A 15 -16.862 -11.563 -15.990 1.00 0.00 C ATOM 279 CE2 PHE A 15 -15.487 -9.751 -15.254 1.00 0.00 C ATOM 280 CZ PHE A 15 -16.032 -11.002 -15.039 1.00 0.00 C ATOM 0 H PHE A 15 -14.803 -8.501 -20.083 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.728 -10.699 -19.745 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.377 -7.918 -18.637 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -17.980 -8.625 -18.661 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.796 -11.313 -17.892 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.347 -8.084 -16.578 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.288 -12.542 -15.826 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.836 -9.311 -14.513 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.810 -11.540 -14.129 1.00 0.00 H new ATOM 290 N ARG A 16 -18.409 -10.022 -21.433 1.00 0.00 N ATOM 291 CA ARG A 16 -19.326 -9.707 -22.522 1.00 0.00 C ATOM 292 C ARG A 16 -19.944 -8.325 -22.331 1.00 0.00 C ATOM 293 O ARG A 16 -19.795 -7.709 -21.275 1.00 0.00 O ATOM 294 CB ARG A 16 -20.430 -10.763 -22.608 1.00 0.00 C ATOM 295 CG ARG A 16 -19.908 -12.190 -22.631 1.00 0.00 C ATOM 296 CD ARG A 16 -20.506 -12.984 -23.781 1.00 0.00 C ATOM 297 NE ARG A 16 -19.822 -12.718 -25.044 1.00 0.00 N ATOM 298 CZ ARG A 16 -20.317 -13.049 -26.231 1.00 0.00 C ATOM 299 NH1 ARG A 16 -21.493 -13.654 -26.318 1.00 0.00 N ATOM 300 NH2 ARG A 16 -19.635 -12.773 -27.336 1.00 0.00 N ATOM 0 H ARG A 16 -18.574 -10.926 -20.991 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.758 -9.706 -23.453 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -21.101 -10.644 -21.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -21.020 -10.587 -23.507 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -18.822 -12.180 -22.721 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.145 -12.680 -21.687 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.448 -14.049 -23.555 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.563 -12.736 -23.882 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.915 -12.253 -25.012 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -22.021 -13.867 -25.472 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -21.870 -13.907 -27.231 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.730 -12.306 -27.274 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.016 -13.028 -28.247 1.00 0.00 H new ATOM 314 N ILE A 17 -20.635 -7.844 -23.358 1.00 0.00 N ATOM 315 CA ILE A 17 -21.275 -6.536 -23.303 1.00 0.00 C ATOM 316 C ILE A 17 -22.116 -6.388 -22.040 1.00 0.00 C ATOM 317 O ILE A 17 -22.351 -5.277 -21.563 1.00 0.00 O ATOM 318 CB ILE A 17 -22.169 -6.294 -24.533 1.00 0.00 C ATOM 319 CG1 ILE A 17 -21.417 -6.651 -25.816 1.00 0.00 C ATOM 320 CG2 ILE A 17 -22.637 -4.846 -24.572 1.00 0.00 C ATOM 321 CD1 ILE A 17 -21.928 -5.923 -27.040 1.00 0.00 C ATOM 0 H ILE A 17 -20.766 -8.341 -24.239 1.00 0.00 H new ATOM 0 HA ILE A 17 -20.476 -5.794 -23.294 1.00 0.00 H new ATOM 0 HB ILE A 17 -23.046 -6.937 -24.458 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -20.360 -6.423 -25.683 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.492 -7.725 -25.985 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.268 -4.691 -25.447 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.207 -4.623 -23.670 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.772 -4.185 -24.627 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -21.348 -6.226 -27.912 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.978 -6.170 -27.199 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.827 -4.848 -26.892 1.00 0.00 H new ATOM 333 N LYS A 18 -22.567 -7.516 -21.500 1.00 0.00 N ATOM 334 CA LYS A 18 -23.379 -7.514 -20.290 1.00 0.00 C ATOM 335 C LYS A 18 -22.756 -6.628 -19.217 1.00 0.00 C ATOM 336 O LYS A 18 -23.430 -5.783 -18.628 1.00 0.00 O ATOM 337 CB LYS A 18 -23.541 -8.940 -19.758 1.00 0.00 C ATOM 338 CG LYS A 18 -24.989 -9.359 -19.572 1.00 0.00 C ATOM 339 CD LYS A 18 -25.666 -8.556 -18.473 1.00 0.00 C ATOM 340 CE LYS A 18 -26.729 -7.626 -19.037 1.00 0.00 C ATOM 341 NZ LYS A 18 -27.789 -8.374 -19.768 1.00 0.00 N ATOM 0 H LYS A 18 -22.383 -8.444 -21.882 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.360 -7.112 -20.542 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.057 -9.633 -20.446 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -23.022 -9.024 -18.803 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.531 -9.224 -20.508 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -25.033 -10.420 -19.328 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -26.121 -9.235 -17.752 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -24.919 -7.973 -17.934 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -27.181 -7.056 -18.225 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -26.262 -6.907 -19.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -28.686 -7.851 -19.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -27.514 -8.480 -20.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.908 -9.314 -19.340 1.00 0.00 H new ATOM 355 N GLU A 19 -21.465 -6.825 -18.969 1.00 0.00 N ATOM 356 CA GLU A 19 -20.751 -6.042 -17.967 1.00 0.00 C ATOM 357 C GLU A 19 -20.826 -4.552 -18.287 1.00 0.00 C ATOM 358 O GLU A 19 -21.216 -3.743 -17.444 1.00 0.00 O ATOM 359 CB GLU A 19 -19.289 -6.485 -17.887 1.00 0.00 C ATOM 360 CG GLU A 19 -18.445 -5.635 -16.953 1.00 0.00 C ATOM 361 CD GLU A 19 -18.945 -5.668 -15.522 1.00 0.00 C ATOM 362 OE1 GLU A 19 -19.540 -6.692 -15.126 1.00 0.00 O ATOM 363 OE2 GLU A 19 -18.742 -4.671 -14.799 1.00 0.00 O ATOM 0 H GLU A 19 -20.892 -7.520 -19.448 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.228 -6.213 -17.002 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.250 -7.522 -17.555 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.854 -6.454 -18.886 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.413 -5.986 -16.982 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.442 -4.605 -17.309 1.00 0.00 H new ATOM 370 N LEU A 20 -20.448 -4.196 -19.509 1.00 0.00 N ATOM 371 CA LEU A 20 -20.471 -2.803 -19.942 1.00 0.00 C ATOM 372 C LEU A 20 -21.884 -2.233 -19.870 1.00 0.00 C ATOM 373 O LEU A 20 -22.075 -1.048 -19.595 1.00 0.00 O ATOM 374 CB LEU A 20 -19.932 -2.682 -21.369 1.00 0.00 C ATOM 375 CG LEU A 20 -18.440 -2.960 -21.548 1.00 0.00 C ATOM 376 CD1 LEU A 20 -18.167 -4.456 -21.514 1.00 0.00 C ATOM 377 CD2 LEU A 20 -17.938 -2.355 -22.851 1.00 0.00 C ATOM 0 H LEU A 20 -20.122 -4.852 -20.218 1.00 0.00 H new ATOM 0 HA LEU A 20 -19.833 -2.229 -19.270 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -20.488 -3.370 -22.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.139 -1.675 -21.730 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.902 -2.494 -20.722 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.099 -4.634 -21.643 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.490 -4.863 -20.556 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.716 -4.944 -22.319 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -16.874 -2.563 -22.962 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -18.482 -2.792 -23.688 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.098 -1.277 -22.837 1.00 0.00 H new ATOM 389 N LYS A 21 -22.873 -3.086 -20.116 1.00 0.00 N ATOM 390 CA LYS A 21 -24.270 -2.670 -20.076 1.00 0.00 C ATOM 391 C LYS A 21 -24.674 -2.255 -18.665 1.00 0.00 C ATOM 392 O LYS A 21 -25.282 -1.203 -18.467 1.00 0.00 O ATOM 393 CB LYS A 21 -25.175 -3.803 -20.564 1.00 0.00 C ATOM 394 CG LYS A 21 -26.581 -3.350 -20.917 1.00 0.00 C ATOM 395 CD LYS A 21 -27.578 -3.732 -19.836 1.00 0.00 C ATOM 396 CE LYS A 21 -28.944 -3.115 -20.094 1.00 0.00 C ATOM 397 NZ LYS A 21 -29.816 -4.014 -20.899 1.00 0.00 N ATOM 0 H LYS A 21 -22.733 -4.070 -20.345 1.00 0.00 H new ATOM 0 HA LYS A 21 -24.386 -1.810 -20.736 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.721 -4.267 -21.440 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.233 -4.569 -19.791 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.591 -2.269 -21.057 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.881 -3.797 -21.865 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -27.670 -4.817 -19.792 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -27.207 -3.404 -18.865 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -29.429 -2.895 -19.143 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.821 -2.166 -20.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -30.738 -3.557 -21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -29.366 -4.203 -21.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -29.955 -4.910 -20.390 1.00 0.00 H new ATOM 411 N ASP A 22 -24.331 -3.086 -17.687 1.00 0.00 N ATOM 412 CA ASP A 22 -24.655 -2.804 -16.294 1.00 0.00 C ATOM 413 C ASP A 22 -23.979 -1.518 -15.828 1.00 0.00 C ATOM 414 O ASP A 22 -24.581 -0.712 -15.118 1.00 0.00 O ATOM 415 CB ASP A 22 -24.228 -3.971 -15.402 1.00 0.00 C ATOM 416 CG ASP A 22 -25.179 -5.148 -15.494 1.00 0.00 C ATOM 417 OD1 ASP A 22 -24.977 -6.006 -16.378 1.00 0.00 O ATOM 418 OD2 ASP A 22 -26.126 -5.211 -14.682 1.00 0.00 O ATOM 0 H ASP A 22 -23.828 -3.961 -17.834 1.00 0.00 H new ATOM 0 HA ASP A 22 -25.735 -2.674 -16.217 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -23.226 -4.294 -15.686 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.173 -3.632 -14.367 1.00 0.00 H new ATOM 423 N ILE A 23 -22.727 -1.334 -16.232 1.00 0.00 N ATOM 424 CA ILE A 23 -21.970 -0.147 -15.856 1.00 0.00 C ATOM 425 C ILE A 23 -22.577 1.109 -16.472 1.00 0.00 C ATOM 426 O ILE A 23 -22.952 2.044 -15.762 1.00 0.00 O ATOM 427 CB ILE A 23 -20.496 -0.257 -16.290 1.00 0.00 C ATOM 428 CG1 ILE A 23 -19.831 -1.455 -15.609 1.00 0.00 C ATOM 429 CG2 ILE A 23 -19.750 1.027 -15.962 1.00 0.00 C ATOM 430 CD1 ILE A 23 -18.410 -1.698 -16.068 1.00 0.00 C ATOM 0 H ILE A 23 -22.215 -1.992 -16.820 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.015 -0.075 -14.769 1.00 0.00 H new ATOM 0 HB ILE A 23 -20.460 -0.409 -17.369 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.834 -1.298 -14.530 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.425 -2.348 -15.802 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -18.710 0.934 -16.275 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.213 1.862 -16.488 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -19.791 1.207 -14.888 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -18.001 -2.562 -15.544 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.402 -1.887 -17.141 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -17.802 -0.820 -15.850 1.00 0.00 H new ATOM 442 N LEU A 24 -22.671 1.125 -17.797 1.00 0.00 N ATOM 443 CA LEU A 24 -23.235 2.266 -18.510 1.00 0.00 C ATOM 444 C LEU A 24 -24.673 2.525 -18.074 1.00 0.00 C ATOM 445 O LEU A 24 -25.162 3.651 -18.152 1.00 0.00 O ATOM 446 CB LEU A 24 -23.184 2.025 -20.020 1.00 0.00 C ATOM 447 CG LEU A 24 -24.524 2.078 -20.754 1.00 0.00 C ATOM 448 CD1 LEU A 24 -24.312 2.368 -22.232 1.00 0.00 C ATOM 449 CD2 LEU A 24 -25.286 0.774 -20.568 1.00 0.00 C ATOM 0 H LEU A 24 -22.364 0.361 -18.399 1.00 0.00 H new ATOM 0 HA LEU A 24 -22.638 3.145 -18.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.520 2.767 -20.464 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -22.734 1.048 -20.197 1.00 0.00 H new ATOM 0 HG LEU A 24 -25.118 2.886 -20.328 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -25.277 2.402 -22.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -23.808 3.328 -22.346 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -23.699 1.582 -22.673 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.237 0.830 -21.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -24.697 -0.052 -20.967 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.471 0.609 -19.507 1.00 0.00 H new ATOM 461 N ASN A 25 -25.344 1.475 -17.611 1.00 0.00 N ATOM 462 CA ASN A 25 -26.726 1.590 -17.160 1.00 0.00 C ATOM 463 C ASN A 25 -26.802 2.312 -15.818 1.00 0.00 C ATOM 464 O ASN A 25 -27.646 3.185 -15.619 1.00 0.00 O ATOM 465 CB ASN A 25 -27.363 0.204 -17.043 1.00 0.00 C ATOM 466 CG ASN A 25 -28.427 0.146 -15.965 1.00 0.00 C ATOM 467 OD1 ASN A 25 -28.031 -0.256 -14.763 1.00 0.00 O flip ATOM 468 ND2 ASN A 25 -29.592 0.459 -16.210 1.00 0.00 N flip ATOM 0 H ASN A 25 -24.953 0.536 -17.538 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.276 2.174 -17.898 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.805 -0.072 -18.001 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -26.589 -0.532 -16.825 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -29.852 0.762 -17.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.297 0.415 -15.475 1.00 0.00 H new ATOM 475 N GLN A 26 -25.914 1.941 -14.902 1.00 0.00 N ATOM 476 CA GLN A 26 -25.880 2.553 -13.579 1.00 0.00 C ATOM 477 C GLN A 26 -25.266 3.948 -13.639 1.00 0.00 C ATOM 478 O GLN A 26 -25.504 4.781 -12.764 1.00 0.00 O ATOM 479 CB GLN A 26 -25.089 1.676 -12.607 1.00 0.00 C ATOM 480 CG GLN A 26 -25.867 0.471 -12.103 1.00 0.00 C ATOM 481 CD GLN A 26 -24.964 -0.649 -11.626 1.00 0.00 C ATOM 482 OE1 GLN A 26 -25.120 -1.158 -10.515 1.00 0.00 O ATOM 483 NE2 GLN A 26 -24.011 -1.040 -12.464 1.00 0.00 N ATOM 0 H GLN A 26 -25.208 1.220 -15.051 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.906 2.643 -13.223 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -24.180 1.331 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -24.780 2.281 -11.755 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -26.519 0.780 -11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.510 0.099 -12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.917 -0.591 -13.375 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.373 -1.789 -12.197 1.00 0.00 H new ATOM 492 N LEU A 27 -24.474 4.195 -14.677 1.00 0.00 N ATOM 493 CA LEU A 27 -23.825 5.489 -14.852 1.00 0.00 C ATOM 494 C LEU A 27 -24.853 6.583 -15.120 1.00 0.00 C ATOM 495 O LEU A 27 -24.673 7.731 -14.716 1.00 0.00 O ATOM 496 CB LEU A 27 -22.820 5.426 -16.004 1.00 0.00 C ATOM 497 CG LEU A 27 -21.455 4.823 -15.672 1.00 0.00 C ATOM 498 CD1 LEU A 27 -20.676 4.530 -16.945 1.00 0.00 C ATOM 499 CD2 LEU A 27 -20.666 5.755 -14.764 1.00 0.00 C ATOM 0 H LEU A 27 -24.266 3.516 -15.410 1.00 0.00 H new ATOM 0 HA LEU A 27 -23.297 5.730 -13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -23.263 4.847 -16.815 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -22.666 6.437 -16.381 1.00 0.00 H new ATOM 0 HG LEU A 27 -21.614 3.883 -15.144 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -19.707 4.101 -16.688 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -21.234 3.823 -17.559 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -20.527 5.455 -17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -19.697 5.309 -14.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -20.517 6.711 -15.265 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -21.217 5.913 -13.837 1.00 0.00 H new ATOM 619 N LYS A 35 -19.061 -2.147 -28.626 1.00 0.00 N ATOM 620 CA LYS A 35 -18.152 -2.627 -27.593 1.00 0.00 C ATOM 621 C LYS A 35 -16.960 -1.688 -27.437 1.00 0.00 C ATOM 622 O LYS A 35 -16.414 -1.541 -26.344 1.00 0.00 O ATOM 623 CB LYS A 35 -17.662 -4.037 -27.931 1.00 0.00 C ATOM 624 CG LYS A 35 -16.758 -4.638 -26.868 1.00 0.00 C ATOM 625 CD LYS A 35 -17.423 -5.811 -26.169 1.00 0.00 C ATOM 626 CE LYS A 35 -17.996 -5.404 -24.820 1.00 0.00 C ATOM 627 NZ LYS A 35 -17.923 -6.513 -23.828 1.00 0.00 N ATOM 0 HA LYS A 35 -18.697 -2.654 -26.649 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.525 -4.688 -28.073 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.125 -4.008 -28.879 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.825 -4.967 -27.326 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.500 -3.874 -26.134 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.219 -6.207 -26.799 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.697 -6.612 -26.030 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.451 -4.540 -24.440 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.034 -5.096 -24.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.636 -6.363 -23.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.106 -7.419 -24.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.976 -6.533 -23.399 1.00 0.00 H new ATOM 641 N GLN A 36 -16.564 -1.054 -28.536 1.00 0.00 N ATOM 642 CA GLN A 36 -15.438 -0.128 -28.520 1.00 0.00 C ATOM 643 C GLN A 36 -15.801 1.158 -27.786 1.00 0.00 C ATOM 644 O GLN A 36 -15.091 1.588 -26.878 1.00 0.00 O ATOM 645 CB GLN A 36 -14.994 0.193 -29.948 1.00 0.00 C ATOM 646 CG GLN A 36 -13.543 -0.162 -30.228 1.00 0.00 C ATOM 647 CD GLN A 36 -12.615 0.241 -29.099 1.00 0.00 C ATOM 648 OE1 GLN A 36 -12.871 1.402 -28.508 1.00 0.00 O flip ATOM 649 NE2 GLN A 36 -11.678 -0.484 -28.761 1.00 0.00 N flip ATOM 0 H GLN A 36 -17.006 -1.165 -29.448 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.614 -0.606 -27.990 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -15.633 -0.346 -30.648 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.142 1.257 -30.135 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.461 -1.236 -30.394 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.224 0.328 -31.148 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.518 -1.369 -29.243 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.062 -0.200 -27.999 1.00 0.00 H new ATOM 658 N ASP A 37 -16.911 1.768 -28.187 1.00 0.00 N ATOM 659 CA ASP A 37 -17.370 3.006 -27.566 1.00 0.00 C ATOM 660 C ASP A 37 -17.587 2.816 -26.068 1.00 0.00 C ATOM 661 O ASP A 37 -17.135 3.625 -25.257 1.00 0.00 O ATOM 662 CB ASP A 37 -18.665 3.482 -28.225 1.00 0.00 C ATOM 663 CG ASP A 37 -18.488 4.788 -28.975 1.00 0.00 C ATOM 664 OD1 ASP A 37 -18.368 5.841 -28.314 1.00 0.00 O ATOM 665 OD2 ASP A 37 -18.467 4.757 -30.223 1.00 0.00 O ATOM 0 H ASP A 37 -17.510 1.426 -28.939 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.599 3.763 -27.709 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.021 2.716 -28.914 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.433 3.606 -27.462 1.00 0.00 H new ATOM 670 N LEU A 38 -18.281 1.742 -25.708 1.00 0.00 N ATOM 671 CA LEU A 38 -18.559 1.445 -24.307 1.00 0.00 C ATOM 672 C LEU A 38 -17.265 1.305 -23.513 1.00 0.00 C ATOM 673 O LEU A 38 -17.069 1.980 -22.502 1.00 0.00 O ATOM 674 CB LEU A 38 -19.384 0.162 -24.191 1.00 0.00 C ATOM 675 CG LEU A 38 -20.733 0.164 -24.911 1.00 0.00 C ATOM 676 CD1 LEU A 38 -21.086 -1.237 -25.387 1.00 0.00 C ATOM 677 CD2 LEU A 38 -21.823 0.709 -23.999 1.00 0.00 C ATOM 0 H LEU A 38 -18.662 1.062 -26.367 1.00 0.00 H new ATOM 0 HA LEU A 38 -19.130 2.275 -23.892 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -18.789 -0.665 -24.579 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.559 -0.039 -23.134 1.00 0.00 H new ATOM 0 HG LEU A 38 -20.657 0.814 -25.783 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.049 -1.216 -25.897 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.319 -1.592 -26.075 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.144 -1.909 -24.530 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -22.776 0.703 -24.528 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.898 0.085 -23.109 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -21.576 1.730 -23.707 1.00 0.00 H new ATOM 689 N ILE A 39 -16.384 0.426 -23.978 1.00 0.00 N ATOM 690 CA ILE A 39 -15.106 0.200 -23.313 1.00 0.00 C ATOM 691 C ILE A 39 -14.371 1.514 -23.075 1.00 0.00 C ATOM 692 O ILE A 39 -13.912 1.788 -21.965 1.00 0.00 O ATOM 693 CB ILE A 39 -14.203 -0.739 -24.133 1.00 0.00 C ATOM 694 CG1 ILE A 39 -14.376 -2.186 -23.666 1.00 0.00 C ATOM 695 CG2 ILE A 39 -12.748 -0.310 -24.017 1.00 0.00 C ATOM 696 CD1 ILE A 39 -14.390 -3.189 -24.798 1.00 0.00 C ATOM 0 H ILE A 39 -16.531 -0.142 -24.813 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.328 -0.269 -22.354 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.497 -0.678 -25.181 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.567 -2.437 -22.979 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.307 -2.270 -23.106 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.122 -0.984 -24.602 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.637 0.707 -24.394 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.440 -0.345 -22.972 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.516 -4.193 -24.393 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.215 -2.964 -25.473 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.449 -3.134 -25.345 1.00 0.00 H new ATOM 708 N ASP A 40 -14.264 2.325 -24.122 1.00 0.00 N ATOM 709 CA ASP A 40 -13.587 3.613 -24.026 1.00 0.00 C ATOM 710 C ASP A 40 -14.256 4.502 -22.983 1.00 0.00 C ATOM 711 O ASP A 40 -13.595 5.299 -22.316 1.00 0.00 O ATOM 712 CB ASP A 40 -13.585 4.314 -25.385 1.00 0.00 C ATOM 713 CG ASP A 40 -12.241 4.935 -25.714 1.00 0.00 C ATOM 714 OD1 ASP A 40 -11.572 5.429 -24.782 1.00 0.00 O ATOM 715 OD2 ASP A 40 -11.858 4.926 -26.902 1.00 0.00 O ATOM 0 H ASP A 40 -14.638 2.113 -25.047 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.557 3.432 -23.717 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.850 3.596 -26.161 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.352 5.089 -25.392 1.00 0.00 H new ATOM 720 N ARG A 41 -15.571 4.361 -22.848 1.00 0.00 N ATOM 721 CA ARG A 41 -16.330 5.154 -21.887 1.00 0.00 C ATOM 722 C ARG A 41 -15.967 4.766 -20.456 1.00 0.00 C ATOM 723 O ARG A 41 -15.719 5.628 -19.613 1.00 0.00 O ATOM 724 CB ARG A 41 -17.831 4.967 -22.113 1.00 0.00 C ATOM 725 CG ARG A 41 -18.513 6.185 -22.714 1.00 0.00 C ATOM 726 CD ARG A 41 -19.032 7.123 -21.636 1.00 0.00 C ATOM 727 NE ARG A 41 -18.048 8.139 -21.274 1.00 0.00 N ATOM 728 CZ ARG A 41 -17.775 9.199 -22.028 1.00 0.00 C ATOM 729 NH1 ARG A 41 -18.410 9.379 -23.178 1.00 0.00 N ATOM 730 NH2 ARG A 41 -16.866 10.080 -21.631 1.00 0.00 N ATOM 0 H ARG A 41 -16.133 3.706 -23.391 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.075 6.203 -22.036 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.987 4.112 -22.771 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.306 4.728 -21.162 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.810 6.718 -23.354 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.340 5.864 -23.347 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.943 7.609 -21.986 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.299 6.546 -20.751 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.543 8.029 -20.395 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.110 8.703 -23.486 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.199 10.193 -23.755 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.376 9.944 -20.747 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.657 10.893 -22.210 1.00 0.00 H new ATOM 744 N VAL A 42 -15.939 3.464 -20.190 1.00 0.00 N ATOM 745 CA VAL A 42 -15.606 2.963 -18.862 1.00 0.00 C ATOM 746 C VAL A 42 -14.226 3.438 -18.425 1.00 0.00 C ATOM 747 O VAL A 42 -14.078 4.077 -17.382 1.00 0.00 O ATOM 748 CB VAL A 42 -15.645 1.424 -18.818 1.00 0.00 C ATOM 749 CG1 VAL A 42 -15.085 0.913 -17.499 1.00 0.00 C ATOM 750 CG2 VAL A 42 -17.064 0.920 -19.034 1.00 0.00 C ATOM 0 H VAL A 42 -16.143 2.737 -20.876 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.356 3.358 -18.177 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.020 1.039 -19.624 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.121 -0.176 -17.486 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.052 1.244 -17.390 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.680 1.305 -16.675 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.072 -0.169 -19.000 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.713 1.313 -18.251 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.425 1.255 -20.006 1.00 0.00 H new ATOM 760 N LEU A 43 -13.216 3.124 -19.228 1.00 0.00 N ATOM 761 CA LEU A 43 -11.845 3.519 -18.925 1.00 0.00 C ATOM 762 C LEU A 43 -11.738 5.032 -18.763 1.00 0.00 C ATOM 763 O LEU A 43 -11.022 5.524 -17.891 1.00 0.00 O ATOM 764 CB LEU A 43 -10.900 3.045 -20.030 1.00 0.00 C ATOM 765 CG LEU A 43 -11.083 1.600 -20.496 1.00 0.00 C ATOM 766 CD1 LEU A 43 -9.862 1.130 -21.271 1.00 0.00 C ATOM 767 CD2 LEU A 43 -11.347 0.686 -19.308 1.00 0.00 C ATOM 0 H LEU A 43 -13.321 2.597 -20.095 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.557 3.050 -17.984 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.022 3.702 -20.891 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.875 3.166 -19.680 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.947 1.559 -21.160 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.011 0.100 -21.594 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.718 1.767 -22.144 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.981 1.186 -20.631 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.475 -0.338 -19.658 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.503 0.731 -18.619 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.252 1.009 -18.794 1.00 0.00 H new ATOM 779 N ALA A 44 -12.456 5.765 -19.608 1.00 0.00 N ATOM 780 CA ALA A 44 -12.445 7.221 -19.556 1.00 0.00 C ATOM 781 C ALA A 44 -13.107 7.730 -18.280 1.00 0.00 C ATOM 782 O ALA A 44 -12.817 8.833 -17.815 1.00 0.00 O ATOM 783 CB ALA A 44 -13.141 7.798 -20.780 1.00 0.00 C ATOM 0 H ALA A 44 -13.053 5.374 -20.337 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.406 7.552 -19.552 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.125 8.887 -20.728 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.623 7.470 -21.681 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.174 7.451 -20.809 1.00 0.00 H new ATOM 789 N LEU A 45 -13.999 6.921 -17.719 1.00 0.00 N ATOM 790 CA LEU A 45 -14.703 7.290 -16.496 1.00 0.00 C ATOM 791 C LEU A 45 -13.820 7.073 -15.272 1.00 0.00 C ATOM 792 O LEU A 45 -13.755 7.921 -14.381 1.00 0.00 O ATOM 793 CB LEU A 45 -15.991 6.475 -16.360 1.00 0.00 C ATOM 794 CG LEU A 45 -16.164 5.707 -15.049 1.00 0.00 C ATOM 795 CD1 LEU A 45 -16.544 6.654 -13.922 1.00 0.00 C ATOM 796 CD2 LEU A 45 -17.212 4.614 -15.206 1.00 0.00 C ATOM 0 H LEU A 45 -14.252 6.006 -18.091 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.954 8.349 -16.557 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.839 7.150 -16.477 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -16.035 5.763 -17.184 1.00 0.00 H new ATOM 0 HG LEU A 45 -15.213 5.238 -14.796 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.663 6.090 -12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -15.760 7.400 -13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -17.482 7.152 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.322 4.078 -14.264 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.166 5.062 -15.482 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.899 3.919 -15.985 1.00 0.00 H new ATOM 808 N LEU A 46 -13.138 5.933 -15.235 1.00 0.00 N ATOM 809 CA LEU A 46 -12.255 5.605 -14.121 1.00 0.00 C ATOM 810 C LEU A 46 -10.905 6.299 -14.274 1.00 0.00 C ATOM 811 O LEU A 46 -10.089 6.304 -13.352 1.00 0.00 O ATOM 812 CB LEU A 46 -12.056 4.091 -14.031 1.00 0.00 C ATOM 813 CG LEU A 46 -13.289 3.234 -14.321 1.00 0.00 C ATOM 814 CD1 LEU A 46 -12.897 1.773 -14.478 1.00 0.00 C ATOM 815 CD2 LEU A 46 -14.323 3.395 -13.217 1.00 0.00 C ATOM 0 H LEU A 46 -13.180 5.220 -15.964 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.723 5.959 -13.202 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.268 3.806 -14.728 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.698 3.850 -13.030 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.732 3.573 -15.257 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.787 1.178 -14.684 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.193 1.672 -15.304 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.430 1.421 -13.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -15.193 2.778 -13.441 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.891 3.083 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.626 4.440 -13.152 1.00 0.00 H new ATOM 827 N THR A 47 -10.676 6.886 -15.445 1.00 0.00 N ATOM 828 CA THR A 47 -9.426 7.583 -15.718 1.00 0.00 C ATOM 829 C THR A 47 -9.637 9.093 -15.760 1.00 0.00 C ATOM 830 O THR A 47 -9.092 9.828 -14.936 1.00 0.00 O ATOM 831 CB THR A 47 -8.808 7.126 -17.053 1.00 0.00 C ATOM 832 OG1 THR A 47 -8.584 5.712 -17.030 1.00 0.00 O ATOM 833 CG2 THR A 47 -7.496 7.848 -17.317 1.00 0.00 C ATOM 0 H THR A 47 -11.340 6.892 -16.219 1.00 0.00 H new ATOM 0 HA THR A 47 -8.742 7.336 -14.906 1.00 0.00 H new ATOM 0 HB THR A 47 -9.506 7.370 -17.854 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.294 5.260 -17.532 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.078 7.509 -18.265 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.675 8.922 -17.363 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.793 7.631 -16.513 1.00 0.00 H new ATOM 841 N ASP A 48 -10.430 9.548 -16.723 1.00 0.00 N ATOM 842 CA ASP A 48 -10.714 10.971 -16.870 1.00 0.00 C ATOM 843 C ASP A 48 -11.715 11.437 -15.818 1.00 0.00 C ATOM 844 O ASP A 48 -11.941 12.635 -15.651 1.00 0.00 O ATOM 845 CB ASP A 48 -11.254 11.263 -18.271 1.00 0.00 C ATOM 846 CG ASP A 48 -10.278 12.058 -19.115 1.00 0.00 C ATOM 847 OD1 ASP A 48 -9.596 12.944 -18.557 1.00 0.00 O ATOM 848 OD2 ASP A 48 -10.194 11.795 -20.332 1.00 0.00 O ATOM 0 H ASP A 48 -10.888 8.953 -17.413 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.783 11.519 -16.727 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.481 10.322 -18.773 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.191 11.814 -18.188 1.00 0.00 H new ATOM 853 N GLU A 49 -12.312 10.482 -15.113 1.00 0.00 N ATOM 854 CA GLU A 49 -13.291 10.796 -14.078 1.00 0.00 C ATOM 855 C GLU A 49 -12.998 10.018 -12.798 1.00 0.00 C ATOM 856 O GLU A 49 -13.889 9.797 -11.978 1.00 0.00 O ATOM 857 CB GLU A 49 -14.705 10.478 -14.569 1.00 0.00 C ATOM 858 CG GLU A 49 -15.557 11.713 -14.811 1.00 0.00 C ATOM 859 CD GLU A 49 -17.024 11.380 -15.006 1.00 0.00 C ATOM 860 OE1 GLU A 49 -17.533 10.501 -14.279 1.00 0.00 O ATOM 861 OE2 GLU A 49 -17.661 11.998 -15.883 1.00 0.00 O ATOM 0 H GLU A 49 -12.136 9.485 -15.239 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.221 11.862 -13.859 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.639 9.905 -15.494 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.201 9.843 -13.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.452 12.394 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.187 12.238 -15.692 1.00 0.00 H new ATOM 1076 N LEU A 63 -21.704 5.013 -10.314 1.00 0.00 N ATOM 1077 CA LEU A 63 -21.140 5.691 -11.477 1.00 0.00 C ATOM 1078 C LEU A 63 -19.683 6.070 -11.232 1.00 0.00 C ATOM 1079 O LEU A 63 -19.157 6.992 -11.855 1.00 0.00 O ATOM 1080 CB LEU A 63 -21.956 6.942 -11.807 1.00 0.00 C ATOM 1081 CG LEU A 63 -22.250 7.881 -10.636 1.00 0.00 C ATOM 1082 CD1 LEU A 63 -21.085 8.831 -10.407 1.00 0.00 C ATOM 1083 CD2 LEU A 63 -23.534 8.658 -10.885 1.00 0.00 C ATOM 0 HA LEU A 63 -21.180 5.005 -12.323 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -21.425 7.506 -12.574 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -22.905 6.628 -12.242 1.00 0.00 H new ATOM 0 HG LEU A 63 -22.382 7.279 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -21.313 9.491 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -20.186 8.257 -10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -20.920 9.427 -11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -23.727 9.321 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -23.431 9.249 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -24.365 7.961 -10.997 1.00 0.00 H new ATOM 1095 N THR A 64 -19.034 5.350 -10.322 1.00 0.00 N ATOM 1096 CA THR A 64 -17.638 5.609 -9.996 1.00 0.00 C ATOM 1097 C THR A 64 -16.824 4.320 -9.999 1.00 0.00 C ATOM 1098 O THR A 64 -17.353 3.240 -10.263 1.00 0.00 O ATOM 1099 CB THR A 64 -17.499 6.288 -8.621 1.00 0.00 C ATOM 1100 OG1 THR A 64 -18.567 5.876 -7.761 1.00 0.00 O ATOM 1101 CG2 THR A 64 -17.508 7.802 -8.761 1.00 0.00 C ATOM 0 H THR A 64 -19.454 4.582 -9.798 1.00 0.00 H new ATOM 0 HA THR A 64 -17.253 6.280 -10.764 1.00 0.00 H new ATOM 0 HB THR A 64 -16.546 5.986 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.470 6.311 -6.888 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.409 8.259 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.676 8.114 -9.392 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.446 8.120 -9.215 1.00 0.00 H new ATOM 1109 N LYS A 65 -15.535 4.439 -9.702 1.00 0.00 N ATOM 1110 CA LYS A 65 -14.647 3.283 -9.667 1.00 0.00 C ATOM 1111 C LYS A 65 -15.236 2.170 -8.807 1.00 0.00 C ATOM 1112 O LYS A 65 -15.099 0.989 -9.125 1.00 0.00 O ATOM 1113 CB LYS A 65 -13.272 3.685 -9.128 1.00 0.00 C ATOM 1114 CG LYS A 65 -12.661 4.874 -9.849 1.00 0.00 C ATOM 1115 CD LYS A 65 -12.210 5.947 -8.871 1.00 0.00 C ATOM 1116 CE LYS A 65 -13.396 6.628 -8.206 1.00 0.00 C ATOM 1117 NZ LYS A 65 -12.994 7.368 -6.978 1.00 0.00 N ATOM 0 H LYS A 65 -15.081 5.325 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.536 2.911 -10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.361 3.920 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.596 2.834 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.810 4.542 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.390 5.295 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.571 5.501 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.610 6.690 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.860 7.318 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.147 5.881 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.830 7.818 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.574 6.705 -6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.296 8.098 -7.226 1.00 0.00 H new ATOM 1131 N GLU A 66 -15.892 2.555 -7.717 1.00 0.00 N ATOM 1132 CA GLU A 66 -16.503 1.588 -6.812 1.00 0.00 C ATOM 1133 C GLU A 66 -17.584 0.782 -7.525 1.00 0.00 C ATOM 1134 O GLU A 66 -17.682 -0.433 -7.355 1.00 0.00 O ATOM 1135 CB GLU A 66 -17.100 2.300 -5.596 1.00 0.00 C ATOM 1136 CG GLU A 66 -16.471 1.885 -4.277 1.00 0.00 C ATOM 1137 CD GLU A 66 -17.348 2.211 -3.084 1.00 0.00 C ATOM 1138 OE1 GLU A 66 -18.555 1.892 -3.129 1.00 0.00 O ATOM 1139 OE2 GLU A 66 -16.827 2.785 -2.105 1.00 0.00 O ATOM 0 H GLU A 66 -16.014 3.529 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.725 0.902 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.982 3.376 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.171 2.099 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.272 0.813 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.509 2.386 -4.164 1.00 0.00 H new ATOM 1146 N ALA A 67 -18.395 1.468 -8.324 1.00 0.00 N ATOM 1147 CA ALA A 67 -19.468 0.817 -9.065 1.00 0.00 C ATOM 1148 C ALA A 67 -18.911 -0.162 -10.092 1.00 0.00 C ATOM 1149 O ALA A 67 -19.290 -1.333 -10.117 1.00 0.00 O ATOM 1150 CB ALA A 67 -20.345 1.857 -9.746 1.00 0.00 C ATOM 0 H ALA A 67 -18.329 2.475 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.075 0.253 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -21.142 1.357 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -20.780 2.515 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -19.742 2.446 -10.437 1.00 0.00 H new ATOM 1156 N VAL A 68 -18.010 0.324 -10.939 1.00 0.00 N ATOM 1157 CA VAL A 68 -17.400 -0.509 -11.968 1.00 0.00 C ATOM 1158 C VAL A 68 -16.767 -1.756 -11.362 1.00 0.00 C ATOM 1159 O VAL A 68 -16.939 -2.863 -11.872 1.00 0.00 O ATOM 1160 CB VAL A 68 -16.327 0.267 -12.756 1.00 0.00 C ATOM 1161 CG1 VAL A 68 -15.718 -0.612 -13.837 1.00 0.00 C ATOM 1162 CG2 VAL A 68 -16.919 1.533 -13.357 1.00 0.00 C ATOM 0 H VAL A 68 -17.686 1.291 -10.933 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.198 -0.805 -12.649 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.533 0.556 -12.067 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -14.963 -0.047 -14.383 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.256 -1.486 -13.378 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.498 -0.934 -14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.147 2.069 -13.910 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.733 1.269 -14.033 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.302 2.170 -12.559 1.00 0.00 H new ATOM 1172 N ALA A 69 -16.034 -1.570 -10.270 1.00 0.00 N ATOM 1173 CA ALA A 69 -15.377 -2.680 -9.592 1.00 0.00 C ATOM 1174 C ALA A 69 -16.396 -3.594 -8.920 1.00 0.00 C ATOM 1175 O ALA A 69 -16.179 -4.799 -8.797 1.00 0.00 O ATOM 1176 CB ALA A 69 -14.378 -2.158 -8.569 1.00 0.00 C ATOM 0 H ALA A 69 -15.880 -0.660 -9.835 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.842 -3.264 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.895 -2.998 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.624 -1.553 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.899 -1.548 -7.830 1.00 0.00 H new ATOM 1182 N LYS A 70 -17.509 -3.012 -8.485 1.00 0.00 N ATOM 1183 CA LYS A 70 -18.563 -3.773 -7.826 1.00 0.00 C ATOM 1184 C LYS A 70 -19.144 -4.825 -8.765 1.00 0.00 C ATOM 1185 O LYS A 70 -19.256 -5.997 -8.406 1.00 0.00 O ATOM 1186 CB LYS A 70 -19.673 -2.835 -7.345 1.00 0.00 C ATOM 1187 CG LYS A 70 -20.896 -3.562 -6.813 1.00 0.00 C ATOM 1188 CD LYS A 70 -20.552 -4.423 -5.608 1.00 0.00 C ATOM 1189 CE LYS A 70 -20.188 -3.573 -4.401 1.00 0.00 C ATOM 1190 NZ LYS A 70 -20.558 -4.239 -3.122 1.00 0.00 N ATOM 0 H LYS A 70 -17.704 -2.015 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.126 -4.281 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -19.277 -2.188 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -19.975 -2.190 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.660 -2.836 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -21.320 -4.187 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -21.400 -5.062 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.719 -5.081 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.117 -3.371 -4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.694 -2.610 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.294 -3.628 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.584 -4.409 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.055 -5.146 -3.045 1.00 0.00 H new ATOM 1204 N ILE A 71 -19.511 -4.398 -9.969 1.00 0.00 N ATOM 1205 CA ILE A 71 -20.078 -5.304 -10.960 1.00 0.00 C ATOM 1206 C ILE A 71 -19.042 -6.319 -11.433 1.00 0.00 C ATOM 1207 O ILE A 71 -19.287 -7.526 -11.416 1.00 0.00 O ATOM 1208 CB ILE A 71 -20.621 -4.536 -12.180 1.00 0.00 C ATOM 1209 CG1 ILE A 71 -21.421 -3.314 -11.725 1.00 0.00 C ATOM 1210 CG2 ILE A 71 -21.482 -5.449 -13.040 1.00 0.00 C ATOM 1211 CD1 ILE A 71 -22.533 -3.646 -10.755 1.00 0.00 C ATOM 0 H ILE A 71 -19.426 -3.431 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 71 -20.902 -5.827 -10.474 1.00 0.00 H new ATOM 0 HB ILE A 71 -19.778 -4.193 -12.780 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -20.743 -2.600 -11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -21.848 -2.823 -12.600 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -21.858 -4.892 -13.898 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.884 -6.291 -13.388 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -22.321 -5.819 -12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -23.057 -2.732 -10.476 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -23.233 -4.336 -11.226 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -22.111 -4.109 -9.863 1.00 0.00 H new ATOM 1223 N VAL A 72 -17.883 -5.822 -11.852 1.00 0.00 N ATOM 1224 CA VAL A 72 -16.808 -6.685 -12.327 1.00 0.00 C ATOM 1225 C VAL A 72 -16.484 -7.771 -11.307 1.00 0.00 C ATOM 1226 O VAL A 72 -16.222 -8.918 -11.667 1.00 0.00 O ATOM 1227 CB VAL A 72 -15.530 -5.879 -12.625 1.00 0.00 C ATOM 1228 CG1 VAL A 72 -14.353 -6.811 -12.863 1.00 0.00 C ATOM 1229 CG2 VAL A 72 -15.746 -4.963 -13.821 1.00 0.00 C ATOM 0 H VAL A 72 -17.664 -4.826 -11.872 1.00 0.00 H new ATOM 0 HA VAL A 72 -17.159 -7.149 -13.249 1.00 0.00 H new ATOM 0 HB VAL A 72 -15.301 -5.260 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.459 -6.223 -13.072 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.187 -7.421 -11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.568 -7.459 -13.713 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -14.833 -4.401 -14.018 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -16.000 -5.561 -14.696 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -16.560 -4.270 -13.606 1.00 0.00 H new ATOM 1239 N ASP A 73 -16.504 -7.401 -10.031 1.00 0.00 N ATOM 1240 CA ASP A 73 -16.214 -8.343 -8.957 1.00 0.00 C ATOM 1241 C ASP A 73 -17.309 -9.400 -8.850 1.00 0.00 C ATOM 1242 O ASP A 73 -17.025 -10.590 -8.707 1.00 0.00 O ATOM 1243 CB ASP A 73 -16.071 -7.604 -7.625 1.00 0.00 C ATOM 1244 CG ASP A 73 -14.770 -6.831 -7.530 1.00 0.00 C ATOM 1245 OD1 ASP A 73 -14.218 -6.466 -8.588 1.00 0.00 O ATOM 1246 OD2 ASP A 73 -14.304 -6.591 -6.396 1.00 0.00 O ATOM 0 H ASP A 73 -16.718 -6.455 -9.716 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.273 -8.842 -9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.908 -6.917 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.125 -8.322 -6.807 1.00 0.00 H new ATOM 1251 N ASP A 74 -18.560 -8.958 -8.920 1.00 0.00 N ATOM 1252 CA ASP A 74 -19.698 -9.865 -8.832 1.00 0.00 C ATOM 1253 C ASP A 74 -19.671 -10.883 -9.968 1.00 0.00 C ATOM 1254 O ASP A 74 -19.764 -12.089 -9.739 1.00 0.00 O ATOM 1255 CB ASP A 74 -21.009 -9.078 -8.867 1.00 0.00 C ATOM 1256 CG ASP A 74 -21.682 -9.015 -7.510 1.00 0.00 C ATOM 1257 OD1 ASP A 74 -21.651 -10.031 -6.784 1.00 0.00 O ATOM 1258 OD2 ASP A 74 -22.238 -7.949 -7.173 1.00 0.00 O ATOM 0 H ASP A 74 -18.811 -7.976 -9.037 1.00 0.00 H new ATOM 0 HA ASP A 74 -19.631 -10.402 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.812 -8.065 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -21.687 -9.539 -9.585 1.00 0.00 H new ATOM 1263 N THR A 75 -19.543 -10.389 -11.196 1.00 0.00 N ATOM 1264 CA THR A 75 -19.506 -11.254 -12.368 1.00 0.00 C ATOM 1265 C THR A 75 -18.336 -12.228 -12.296 1.00 0.00 C ATOM 1266 O THR A 75 -18.478 -13.408 -12.616 1.00 0.00 O ATOM 1267 CB THR A 75 -19.397 -10.434 -13.668 1.00 0.00 C ATOM 1268 OG1 THR A 75 -19.565 -9.041 -13.384 1.00 0.00 O ATOM 1269 CG2 THR A 75 -20.443 -10.880 -14.678 1.00 0.00 C ATOM 0 H THR A 75 -19.463 -9.394 -11.404 1.00 0.00 H new ATOM 0 HA THR A 75 -20.441 -11.814 -12.377 1.00 0.00 H new ATOM 0 HB THR A 75 -18.408 -10.601 -14.095 1.00 0.00 H new ATOM 0 HG1 THR A 75 -18.835 -8.735 -12.807 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.347 -10.287 -15.588 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.295 -11.934 -14.914 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.439 -10.739 -14.257 1.00 0.00 H new ATOM 1277 N TYR A 76 -17.181 -11.727 -11.873 1.00 0.00 N ATOM 1278 CA TYR A 76 -15.985 -12.554 -11.760 1.00 0.00 C ATOM 1279 C TYR A 76 -16.148 -13.600 -10.662 1.00 0.00 C ATOM 1280 O TYR A 76 -15.823 -14.773 -10.853 1.00 0.00 O ATOM 1281 CB TYR A 76 -14.762 -11.682 -11.472 1.00 0.00 C ATOM 1282 CG TYR A 76 -13.454 -12.316 -11.888 1.00 0.00 C ATOM 1283 CD1 TYR A 76 -13.049 -12.311 -13.217 1.00 0.00 C ATOM 1284 CD2 TYR A 76 -12.624 -12.922 -10.953 1.00 0.00 C ATOM 1285 CE1 TYR A 76 -11.855 -12.890 -13.603 1.00 0.00 C ATOM 1286 CE2 TYR A 76 -11.428 -13.502 -11.329 1.00 0.00 C ATOM 1287 CZ TYR A 76 -11.048 -13.484 -12.655 1.00 0.00 C ATOM 1288 OH TYR A 76 -9.858 -14.062 -13.034 1.00 0.00 O ATOM 0 H TYR A 76 -17.047 -10.753 -11.603 1.00 0.00 H new ATOM 0 HA TYR A 76 -15.840 -13.070 -12.709 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.875 -10.730 -11.990 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -14.726 -11.462 -10.405 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.678 -11.846 -13.962 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.919 -12.940 -9.914 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.556 -12.877 -14.641 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.794 -13.967 -10.589 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.410 -14.435 -12.246 1.00 0.00 H new ATOM 1298 N ARG A 77 -16.653 -13.168 -9.512 1.00 0.00 N ATOM 1299 CA ARG A 77 -16.860 -14.066 -8.382 1.00 0.00 C ATOM 1300 C ARG A 77 -17.735 -15.250 -8.781 1.00 0.00 C ATOM 1301 O ARG A 77 -17.433 -16.398 -8.454 1.00 0.00 O ATOM 1302 CB ARG A 77 -17.502 -13.313 -7.216 1.00 0.00 C ATOM 1303 CG ARG A 77 -16.538 -13.014 -6.079 1.00 0.00 C ATOM 1304 CD ARG A 77 -15.966 -11.609 -6.190 1.00 0.00 C ATOM 1305 NE ARG A 77 -14.921 -11.523 -7.207 1.00 0.00 N ATOM 1306 CZ ARG A 77 -14.009 -10.557 -7.244 1.00 0.00 C ATOM 1307 NH1 ARG A 77 -14.014 -9.601 -6.325 1.00 0.00 N ATOM 1308 NH2 ARG A 77 -13.090 -10.547 -8.201 1.00 0.00 N ATOM 0 H ARG A 77 -16.927 -12.201 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.887 -14.445 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.917 -12.375 -7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.335 -13.900 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.053 -13.124 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.726 -13.741 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.766 -10.910 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.559 -11.306 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.890 -12.244 -7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -14.719 -9.606 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.313 -8.861 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -13.083 -11.281 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.390 -9.805 -8.229 1.00 0.00 H new ATOM 1322 N LYS A 78 -18.822 -14.963 -9.490 1.00 0.00 N ATOM 1323 CA LYS A 78 -19.742 -16.003 -9.936 1.00 0.00 C ATOM 1324 C LYS A 78 -19.200 -16.716 -11.170 1.00 0.00 C ATOM 1325 O LYS A 78 -19.567 -17.857 -11.450 1.00 0.00 O ATOM 1326 CB LYS A 78 -21.115 -15.400 -10.243 1.00 0.00 C ATOM 1327 CG LYS A 78 -21.130 -14.523 -11.482 1.00 0.00 C ATOM 1328 CD LYS A 78 -22.510 -13.940 -11.735 1.00 0.00 C ATOM 1329 CE LYS A 78 -22.875 -12.896 -10.690 1.00 0.00 C ATOM 1330 NZ LYS A 78 -23.113 -11.559 -11.300 1.00 0.00 N ATOM 0 H LYS A 78 -19.087 -14.018 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 78 -19.844 -16.733 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -21.837 -16.207 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -21.443 -14.811 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.408 -13.715 -11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -20.817 -15.108 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.539 -13.489 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -23.251 -14.739 -11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -23.769 -13.215 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.073 -12.822 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.742 -11.004 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.207 -11.061 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.557 -11.677 -12.233 1.00 0.00 H new ATOM 1344 N MET A 79 -18.325 -16.037 -11.904 1.00 0.00 N ATOM 1345 CA MET A 79 -17.731 -16.608 -13.107 1.00 0.00 C ATOM 1346 C MET A 79 -16.825 -17.786 -12.760 1.00 0.00 C ATOM 1347 O MET A 79 -17.051 -18.907 -13.214 1.00 0.00 O ATOM 1348 CB MET A 79 -16.935 -15.543 -13.864 1.00 0.00 C ATOM 1349 CG MET A 79 -16.111 -16.102 -15.012 1.00 0.00 C ATOM 1350 SD MET A 79 -16.084 -15.007 -16.445 1.00 0.00 S ATOM 1351 CE MET A 79 -14.714 -13.932 -16.023 1.00 0.00 C ATOM 0 H MET A 79 -18.012 -15.091 -11.687 1.00 0.00 H new ATOM 0 HA MET A 79 -18.538 -16.969 -13.744 1.00 0.00 H new ATOM 0 HB2 MET A 79 -17.625 -14.794 -14.254 1.00 0.00 H new ATOM 0 HB3 MET A 79 -16.271 -15.033 -13.166 1.00 0.00 H new ATOM 0 HG2 MET A 79 -15.090 -16.274 -14.671 1.00 0.00 H new ATOM 0 HG3 MET A 79 -16.516 -17.070 -15.307 1.00 0.00 H new ATOM 0 HE1 MET A 79 -14.660 -13.113 -16.740 1.00 0.00 H new ATOM 0 HE2 MET A 79 -14.863 -13.528 -15.022 1.00 0.00 H new ATOM 0 HE3 MET A 79 -13.784 -14.500 -16.050 1.00 0.00 H new