USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 GLN :FLIP amide:sc= 1.1 F(o=-0.046,f=1.1) USER MOD Set 1.2: A 57 SER OG : rot -105:sc= 0.00671 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 138:sc= -0.267 USER MOD Single : A 20 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.53) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.46! C(o=-4.9!,f=-3.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -20:sc= 0.481 USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= 0.565 (180deg=0.0773) USER MOD Single : A 44 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= -0.0246 (180deg=-0.262) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -15.9! C(o=-16!,f=-29!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.237 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 77 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.939 0.932 -18.427 1.00 0.00 N ATOM 2 CA MET A 1 3.112 1.851 -18.364 1.00 0.00 C ATOM 3 C MET A 1 3.564 2.229 -19.777 1.00 0.00 C ATOM 4 O MET A 1 4.276 1.491 -20.429 1.00 0.00 O ATOM 5 CB MET A 1 4.202 1.053 -17.647 1.00 0.00 C ATOM 6 CG MET A 1 4.940 1.964 -16.663 1.00 0.00 C ATOM 7 SD MET A 1 5.870 0.952 -15.486 1.00 0.00 S ATOM 8 CE MET A 1 6.448 2.306 -14.432 1.00 0.00 C ATOM 0 H1 MET A 1 1.641 0.682 -17.462 1.00 0.00 H new ATOM 0 H2 MET A 1 1.154 1.404 -18.920 1.00 0.00 H new ATOM 0 H3 MET A 1 2.202 0.068 -18.942 1.00 0.00 H new ATOM 0 HA MET A 1 2.881 2.782 -17.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.760 0.210 -17.116 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.903 0.641 -18.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.616 2.628 -17.202 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.228 2.596 -16.132 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.055 1.903 -13.622 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.047 2.998 -15.024 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.590 2.834 -14.015 1.00 0.00 H new ATOM 20 N GLY A 2 3.153 3.373 -20.255 1.00 0.00 N ATOM 21 CA GLY A 2 3.557 3.801 -21.625 1.00 0.00 C ATOM 22 C GLY A 2 3.782 5.317 -21.644 1.00 0.00 C ATOM 23 O GLY A 2 3.727 5.961 -20.615 1.00 0.00 O ATOM 0 H GLY A 2 2.554 4.030 -19.755 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.469 3.284 -21.925 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.785 3.529 -22.345 1.00 0.00 H new ATOM 27 N PRO A 3 4.028 5.839 -22.819 1.00 0.00 N ATOM 28 CA PRO A 3 4.263 7.297 -22.965 1.00 0.00 C ATOM 29 C PRO A 3 2.950 8.069 -22.799 1.00 0.00 C ATOM 30 O PRO A 3 2.426 8.633 -23.740 1.00 0.00 O ATOM 31 CB PRO A 3 4.799 7.433 -24.387 1.00 0.00 C ATOM 32 CG PRO A 3 4.271 6.240 -25.118 1.00 0.00 C ATOM 33 CD PRO A 3 4.111 5.135 -24.105 1.00 0.00 C ATOM 0 HA PRO A 3 4.947 7.698 -22.218 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.460 8.360 -24.849 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.889 7.451 -24.397 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.316 6.470 -25.592 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.956 5.940 -25.911 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.214 4.546 -24.296 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.956 4.446 -24.129 1.00 0.00 H new ATOM 41 N LEU A 4 2.415 8.097 -21.608 1.00 0.00 N ATOM 42 CA LEU A 4 1.137 8.833 -21.378 1.00 0.00 C ATOM 43 C LEU A 4 1.384 10.055 -20.489 1.00 0.00 C ATOM 44 O LEU A 4 1.105 11.176 -20.870 1.00 0.00 O ATOM 45 CB LEU A 4 0.225 7.829 -20.670 1.00 0.00 C ATOM 46 CG LEU A 4 -1.183 7.912 -21.261 1.00 0.00 C ATOM 47 CD1 LEU A 4 -1.962 6.644 -20.906 1.00 0.00 C ATOM 48 CD2 LEU A 4 -1.907 9.130 -20.682 1.00 0.00 C ATOM 0 H LEU A 4 2.807 7.642 -20.784 1.00 0.00 H new ATOM 0 HA LEU A 4 0.697 9.199 -22.306 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.620 6.820 -20.785 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.195 8.040 -19.601 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.116 8.007 -22.345 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.965 6.704 -21.327 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.448 5.774 -21.315 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.029 6.549 -19.822 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.911 9.190 -21.102 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.973 9.033 -19.598 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.354 10.035 -20.932 1.00 0.00 H new ATOM 60 N GLY A 5 1.905 9.847 -19.309 1.00 0.00 N ATOM 61 CA GLY A 5 2.170 10.993 -18.395 1.00 0.00 C ATOM 62 C GLY A 5 1.851 10.585 -16.956 1.00 0.00 C ATOM 63 O GLY A 5 0.984 11.151 -16.320 1.00 0.00 O ATOM 0 H GLY A 5 2.158 8.931 -18.939 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.213 11.301 -18.474 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.562 11.850 -18.684 1.00 0.00 H new ATOM 67 N SER A 6 2.545 9.606 -16.439 1.00 0.00 N ATOM 68 CA SER A 6 2.281 9.160 -15.039 1.00 0.00 C ATOM 69 C SER A 6 2.744 10.233 -14.047 1.00 0.00 C ATOM 70 O SER A 6 3.654 10.987 -14.334 1.00 0.00 O ATOM 71 CB SER A 6 3.098 7.880 -14.866 1.00 0.00 C ATOM 72 OG SER A 6 2.231 6.755 -14.936 1.00 0.00 O ATOM 0 H SER A 6 3.283 9.096 -16.925 1.00 0.00 H new ATOM 0 HA SER A 6 1.220 8.991 -14.853 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.861 7.814 -15.642 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.618 7.894 -13.908 1.00 0.00 H new ATOM 0 HG SER A 6 2.753 5.933 -14.827 1.00 0.00 H new ATOM 78 N PRO A 7 2.101 10.268 -12.906 1.00 0.00 N ATOM 79 CA PRO A 7 2.457 11.264 -11.866 1.00 0.00 C ATOM 80 C PRO A 7 3.783 10.889 -11.198 1.00 0.00 C ATOM 81 O PRO A 7 4.154 9.733 -11.141 1.00 0.00 O ATOM 82 CB PRO A 7 1.304 11.176 -10.872 1.00 0.00 C ATOM 83 CG PRO A 7 0.742 9.801 -11.051 1.00 0.00 C ATOM 84 CD PRO A 7 0.995 9.399 -12.481 1.00 0.00 C ATOM 0 HA PRO A 7 2.591 12.269 -12.265 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.651 11.330 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.552 11.939 -11.072 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.216 9.099 -10.365 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.326 9.790 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.264 8.345 -12.558 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.110 9.548 -13.100 1.00 0.00 H new ATOM 92 N GLU A 8 4.497 11.858 -10.692 1.00 0.00 N ATOM 93 CA GLU A 8 5.799 11.561 -10.025 1.00 0.00 C ATOM 94 C GLU A 8 5.591 11.395 -8.517 1.00 0.00 C ATOM 95 O GLU A 8 6.312 10.672 -7.858 1.00 0.00 O ATOM 96 CB GLU A 8 6.682 12.778 -10.316 1.00 0.00 C ATOM 97 CG GLU A 8 7.997 12.318 -10.950 1.00 0.00 C ATOM 98 CD GLU A 8 7.722 11.743 -12.341 1.00 0.00 C ATOM 99 OE1 GLU A 8 7.167 12.461 -13.157 1.00 0.00 O ATOM 100 OE2 GLU A 8 8.069 10.596 -12.565 1.00 0.00 O ATOM 0 H GLU A 8 4.235 12.844 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 8 6.249 10.637 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.164 13.464 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.882 13.324 -9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.690 13.156 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.472 11.565 -10.321 1.00 0.00 H new ATOM 107 N PHE A 9 4.610 12.059 -7.968 1.00 0.00 N ATOM 108 CA PHE A 9 4.351 11.942 -6.502 1.00 0.00 C ATOM 109 C PHE A 9 3.265 10.895 -6.245 1.00 0.00 C ATOM 110 O PHE A 9 2.092 11.145 -6.439 1.00 0.00 O ATOM 111 CB PHE A 9 3.871 13.330 -6.068 1.00 0.00 C ATOM 112 CG PHE A 9 4.899 14.368 -6.451 1.00 0.00 C ATOM 113 CD1 PHE A 9 6.212 14.262 -5.978 1.00 0.00 C ATOM 114 CD2 PHE A 9 4.538 15.436 -7.279 1.00 0.00 C ATOM 115 CE1 PHE A 9 7.165 15.224 -6.335 1.00 0.00 C ATOM 116 CE2 PHE A 9 5.490 16.399 -7.637 1.00 0.00 C ATOM 117 CZ PHE A 9 6.803 16.294 -7.163 1.00 0.00 C ATOM 0 H PHE A 9 3.975 12.679 -8.471 1.00 0.00 H new ATOM 0 HA PHE A 9 5.237 11.629 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.916 13.559 -6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.706 13.348 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.490 13.438 -5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.524 15.518 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.179 15.141 -5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.211 17.222 -8.278 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.537 17.038 -7.436 1.00 0.00 H new ATOM 127 N ALA A 10 3.647 9.723 -5.813 1.00 0.00 N ATOM 128 CA ALA A 10 2.634 8.659 -5.549 1.00 0.00 C ATOM 129 C ALA A 10 2.655 8.246 -4.075 1.00 0.00 C ATOM 130 O ALA A 10 1.665 7.790 -3.538 1.00 0.00 O ATOM 131 CB ALA A 10 3.054 7.482 -6.431 1.00 0.00 C ATOM 0 H ALA A 10 4.615 9.456 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 10 1.622 9.001 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.356 6.657 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.049 7.791 -7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.057 7.159 -6.153 1.00 0.00 H new ATOM 137 N LYS A 11 3.779 8.389 -3.418 1.00 0.00 N ATOM 138 CA LYS A 11 3.864 7.989 -1.980 1.00 0.00 C ATOM 139 C LYS A 11 3.385 6.542 -1.819 1.00 0.00 C ATOM 140 O LYS A 11 2.223 6.292 -1.566 1.00 0.00 O ATOM 141 CB LYS A 11 2.934 8.950 -1.233 1.00 0.00 C ATOM 142 CG LYS A 11 3.385 10.392 -1.472 1.00 0.00 C ATOM 143 CD LYS A 11 2.552 11.337 -0.603 1.00 0.00 C ATOM 144 CE LYS A 11 1.119 11.390 -1.136 1.00 0.00 C ATOM 145 NZ LYS A 11 0.637 12.761 -0.809 1.00 0.00 N ATOM 0 H LYS A 11 4.640 8.765 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 11 4.882 8.040 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.908 8.818 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.945 8.727 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.443 10.498 -1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.269 10.651 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.554 10.994 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.991 12.335 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.090 11.207 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.495 10.630 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.341 12.874 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.669 12.904 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.246 13.463 -1.275 1.00 0.00 H new ATOM 159 N TYR A 12 4.268 5.593 -1.978 1.00 0.00 N ATOM 160 CA TYR A 12 3.857 4.161 -1.850 1.00 0.00 C ATOM 161 C TYR A 12 3.308 3.891 -0.448 1.00 0.00 C ATOM 162 O TYR A 12 2.952 4.801 0.275 1.00 0.00 O ATOM 163 CB TYR A 12 5.126 3.338 -2.090 1.00 0.00 C ATOM 164 CG TYR A 12 5.779 3.739 -3.397 1.00 0.00 C ATOM 165 CD1 TYR A 12 4.998 4.167 -4.480 1.00 0.00 C ATOM 166 CD2 TYR A 12 7.173 3.680 -3.523 1.00 0.00 C ATOM 167 CE1 TYR A 12 5.610 4.535 -5.683 1.00 0.00 C ATOM 168 CE2 TYR A 12 7.784 4.048 -4.726 1.00 0.00 C ATOM 169 CZ TYR A 12 7.003 4.476 -5.807 1.00 0.00 C ATOM 170 OH TYR A 12 7.606 4.839 -6.994 1.00 0.00 O ATOM 0 H TYR A 12 5.254 5.745 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 12 3.072 3.904 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.825 3.487 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.880 2.276 -2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.923 4.213 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 12 7.776 3.350 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.007 4.865 -6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.859 4.002 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 12 8.578 4.741 -6.911 1.00 0.00 H new ATOM 180 N ALA A 13 3.237 2.646 -0.060 1.00 0.00 N ATOM 181 CA ALA A 13 2.709 2.320 1.295 1.00 0.00 C ATOM 182 C ALA A 13 3.190 0.936 1.737 1.00 0.00 C ATOM 183 O ALA A 13 3.310 0.027 0.940 1.00 0.00 O ATOM 184 CB ALA A 13 1.189 2.334 1.137 1.00 0.00 C ATOM 0 H ALA A 13 3.521 1.843 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 13 3.050 3.027 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.722 2.102 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.867 3.321 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.893 1.589 0.399 1.00 0.00 H new ATOM 190 N ARG A 14 3.462 0.772 3.004 1.00 0.00 N ATOM 191 CA ARG A 14 3.932 -0.553 3.508 1.00 0.00 C ATOM 192 C ARG A 14 2.885 -1.151 4.457 1.00 0.00 C ATOM 193 O ARG A 14 2.563 -0.575 5.478 1.00 0.00 O ATOM 194 CB ARG A 14 5.236 -0.249 4.256 1.00 0.00 C ATOM 195 CG ARG A 14 5.647 -1.456 5.109 1.00 0.00 C ATOM 196 CD ARG A 14 5.213 -1.230 6.561 1.00 0.00 C ATOM 197 NE ARG A 14 6.479 -1.012 7.314 1.00 0.00 N ATOM 198 CZ ARG A 14 6.657 0.093 7.985 1.00 0.00 C ATOM 199 NH1 ARG A 14 6.236 0.181 9.218 1.00 0.00 N ATOM 200 NH2 ARG A 14 7.256 1.109 7.427 1.00 0.00 N ATOM 0 H ARG A 14 3.379 1.500 3.714 1.00 0.00 H new ATOM 0 HA ARG A 14 4.085 -1.277 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.026 -0.011 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.105 0.627 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.187 -2.364 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.726 -1.599 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.551 -0.368 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.667 -2.090 6.948 1.00 0.00 H new ATOM 0 HE ARG A 14 7.207 -1.726 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.769 -0.613 9.655 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.374 1.044 9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.586 1.041 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.394 1.972 7.953 1.00 0.00 H new ATOM 214 N ALA A 15 2.357 -2.301 4.128 1.00 0.00 N ATOM 215 CA ALA A 15 1.335 -2.943 5.010 1.00 0.00 C ATOM 216 C ALA A 15 1.833 -2.989 6.458 1.00 0.00 C ATOM 217 O ALA A 15 2.866 -3.563 6.753 1.00 0.00 O ATOM 218 CB ALA A 15 1.165 -4.358 4.456 1.00 0.00 C ATOM 0 H ALA A 15 2.590 -2.825 3.285 1.00 0.00 H new ATOM 0 HA ALA A 15 0.395 -2.392 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.428 -4.896 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.826 -4.305 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.119 -4.883 4.499 1.00 0.00 H new ATOM 224 N LEU A 16 1.103 -2.382 7.356 1.00 0.00 N ATOM 225 CA LEU A 16 1.517 -2.370 8.790 1.00 0.00 C ATOM 226 C LEU A 16 1.174 -3.706 9.460 1.00 0.00 C ATOM 227 O LEU A 16 1.634 -3.998 10.546 1.00 0.00 O ATOM 228 CB LEU A 16 0.707 -1.231 9.415 1.00 0.00 C ATOM 229 CG LEU A 16 1.413 0.104 9.165 1.00 0.00 C ATOM 230 CD1 LEU A 16 0.561 1.242 9.727 1.00 0.00 C ATOM 231 CD2 LEU A 16 2.778 0.102 9.857 1.00 0.00 C ATOM 0 H LEU A 16 0.232 -1.891 7.156 1.00 0.00 H new ATOM 0 HA LEU A 16 2.591 -2.229 8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.296 -1.208 8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.594 -1.398 10.486 1.00 0.00 H new ATOM 0 HG LEU A 16 1.551 0.245 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.062 2.194 9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.411 1.247 9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.423 1.098 10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.278 1.054 9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.642 -0.040 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.387 -0.709 9.458 1.00 0.00 H new ATOM 243 N LYS A 17 0.376 -4.518 8.820 1.00 0.00 N ATOM 244 CA LYS A 17 0.008 -5.837 9.413 1.00 0.00 C ATOM 245 C LYS A 17 -0.613 -6.733 8.338 1.00 0.00 C ATOM 246 O LYS A 17 -1.060 -6.260 7.312 1.00 0.00 O ATOM 247 CB LYS A 17 -1.005 -5.523 10.516 1.00 0.00 C ATOM 248 CG LYS A 17 -2.204 -4.781 9.924 1.00 0.00 C ATOM 249 CD LYS A 17 -3.251 -4.548 11.015 1.00 0.00 C ATOM 250 CE LYS A 17 -4.282 -5.678 10.984 1.00 0.00 C ATOM 251 NZ LYS A 17 -5.567 -5.038 11.382 1.00 0.00 N ATOM 0 H LYS A 17 -0.039 -4.324 7.908 1.00 0.00 H new ATOM 0 HA LYS A 17 0.873 -6.368 9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.336 -6.446 10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.536 -4.916 11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.884 -3.828 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.637 -5.360 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.770 -4.507 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.744 -3.588 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.353 -6.121 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.010 -6.479 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.324 -5.751 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.472 -4.631 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.803 -4.284 10.706 1.00 0.00 H new ATOM 265 N ASP A 18 -0.634 -8.020 8.557 1.00 0.00 N ATOM 266 CA ASP A 18 -1.216 -8.941 7.535 1.00 0.00 C ATOM 267 C ASP A 18 -2.655 -8.545 7.200 1.00 0.00 C ATOM 268 O ASP A 18 -3.429 -8.174 8.061 1.00 0.00 O ATOM 269 CB ASP A 18 -1.181 -10.332 8.171 1.00 0.00 C ATOM 270 CG ASP A 18 -1.963 -10.318 9.487 1.00 0.00 C ATOM 271 OD1 ASP A 18 -1.379 -9.957 10.496 1.00 0.00 O ATOM 272 OD2 ASP A 18 -3.130 -10.671 9.464 1.00 0.00 O ATOM 0 H ASP A 18 -0.275 -8.474 9.397 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.656 -8.905 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.612 -11.065 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.149 -10.633 8.353 1.00 0.00 H new ATOM 277 N TYR A 19 -3.013 -8.623 5.948 1.00 0.00 N ATOM 278 CA TYR A 19 -4.395 -8.257 5.532 1.00 0.00 C ATOM 279 C TYR A 19 -5.035 -9.411 4.751 1.00 0.00 C ATOM 280 O TYR A 19 -4.378 -10.104 3.998 1.00 0.00 O ATOM 281 CB TYR A 19 -4.215 -7.037 4.630 1.00 0.00 C ATOM 282 CG TYR A 19 -5.523 -6.692 3.967 1.00 0.00 C ATOM 283 CD1 TYR A 19 -6.694 -6.624 4.725 1.00 0.00 C ATOM 284 CD2 TYR A 19 -5.556 -6.429 2.598 1.00 0.00 C ATOM 285 CE1 TYR A 19 -7.907 -6.293 4.109 1.00 0.00 C ATOM 286 CE2 TYR A 19 -6.765 -6.094 1.978 1.00 0.00 C ATOM 287 CZ TYR A 19 -7.943 -6.026 2.735 1.00 0.00 C ATOM 288 OH TYR A 19 -9.140 -5.693 2.128 1.00 0.00 O ATOM 0 H TYR A 19 -2.402 -8.927 5.190 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.046 -8.050 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.860 -6.190 5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.457 -7.242 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.664 -6.827 5.785 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.648 -6.484 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.814 -6.244 4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.791 -5.888 0.918 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.992 -4.963 1.492 1.00 0.00 H new ATOM 298 N ASN A 20 -6.317 -9.606 4.919 1.00 0.00 N ATOM 299 CA ASN A 20 -7.014 -10.703 4.185 1.00 0.00 C ATOM 300 C ASN A 20 -8.109 -10.121 3.285 1.00 0.00 C ATOM 301 O ASN A 20 -8.565 -9.012 3.485 1.00 0.00 O ATOM 302 CB ASN A 20 -7.627 -11.587 5.275 1.00 0.00 C ATOM 303 CG ASN A 20 -8.566 -10.752 6.151 1.00 0.00 C ATOM 304 OD1 ASN A 20 -8.143 -10.161 7.124 1.00 0.00 O ATOM 305 ND2 ASN A 20 -9.832 -10.680 5.843 1.00 0.00 N ATOM 0 H ASN A 20 -6.912 -9.051 5.534 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.337 -11.265 3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.176 -12.412 4.821 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.839 -12.026 5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.466 -10.127 6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.187 -11.176 5.026 1.00 0.00 H new ATOM 312 N VAL A 21 -8.531 -10.860 2.294 1.00 0.00 N ATOM 313 CA VAL A 21 -9.597 -10.353 1.375 1.00 0.00 C ATOM 314 C VAL A 21 -10.398 -11.523 0.799 1.00 0.00 C ATOM 315 O VAL A 21 -9.975 -12.661 0.851 1.00 0.00 O ATOM 316 CB VAL A 21 -8.859 -9.615 0.251 1.00 0.00 C ATOM 317 CG1 VAL A 21 -8.457 -8.216 0.728 1.00 0.00 C ATOM 318 CG2 VAL A 21 -7.604 -10.399 -0.158 1.00 0.00 C ATOM 0 H VAL A 21 -8.184 -11.795 2.079 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.300 -9.701 1.894 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.522 -9.528 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.933 -7.695 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.350 -7.655 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.801 -8.301 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.087 -9.867 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.941 -10.498 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.892 -11.390 -0.509 1.00 0.00 H new ATOM 328 N SER A 22 -11.553 -11.251 0.247 1.00 0.00 N ATOM 329 CA SER A 22 -12.376 -12.353 -0.333 1.00 0.00 C ATOM 330 C SER A 22 -12.920 -11.953 -1.707 1.00 0.00 C ATOM 331 O SER A 22 -14.053 -11.534 -1.839 1.00 0.00 O ATOM 332 CB SER A 22 -13.520 -12.561 0.659 1.00 0.00 C ATOM 333 OG SER A 22 -14.436 -13.508 0.127 1.00 0.00 O ATOM 0 H SER A 22 -11.959 -10.318 0.173 1.00 0.00 H new ATOM 0 HA SER A 22 -11.794 -13.263 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.129 -12.912 1.614 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.027 -11.615 0.851 1.00 0.00 H new ATOM 0 HG SER A 22 -15.170 -13.645 0.761 1.00 0.00 H new ATOM 339 N ASP A 23 -12.118 -12.089 -2.731 1.00 0.00 N ATOM 340 CA ASP A 23 -12.570 -11.729 -4.111 1.00 0.00 C ATOM 341 C ASP A 23 -11.416 -11.942 -5.098 1.00 0.00 C ATOM 342 O ASP A 23 -10.281 -12.131 -4.705 1.00 0.00 O ATOM 343 CB ASP A 23 -12.966 -10.247 -4.033 1.00 0.00 C ATOM 344 CG ASP A 23 -13.127 -9.668 -5.442 1.00 0.00 C ATOM 345 OD1 ASP A 23 -13.944 -10.187 -6.184 1.00 0.00 O ATOM 346 OD2 ASP A 23 -12.430 -8.716 -5.752 1.00 0.00 O ATOM 0 H ASP A 23 -11.161 -12.437 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.403 -12.341 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.899 -10.141 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.206 -9.688 -3.487 1.00 0.00 H new ATOM 351 N THR A 24 -11.697 -11.920 -6.374 1.00 0.00 N ATOM 352 CA THR A 24 -10.615 -12.128 -7.381 1.00 0.00 C ATOM 353 C THR A 24 -10.032 -10.785 -7.835 1.00 0.00 C ATOM 354 O THR A 24 -9.765 -10.580 -9.003 1.00 0.00 O ATOM 355 CB THR A 24 -11.297 -12.837 -8.552 1.00 0.00 C ATOM 356 OG1 THR A 24 -12.372 -12.038 -9.026 1.00 0.00 O ATOM 357 CG2 THR A 24 -11.831 -14.193 -8.088 1.00 0.00 C ATOM 0 H THR A 24 -12.628 -11.767 -6.762 1.00 0.00 H new ATOM 0 HA THR A 24 -9.786 -12.707 -6.975 1.00 0.00 H new ATOM 0 HB THR A 24 -10.576 -12.989 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.809 -12.490 -9.778 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.317 -14.698 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.005 -14.805 -7.725 1.00 0.00 H new ATOM 0 HG23 THR A 24 -12.552 -14.044 -7.284 1.00 0.00 H new ATOM 365 N SER A 25 -9.830 -9.871 -6.923 1.00 0.00 N ATOM 366 CA SER A 25 -9.262 -8.545 -7.310 1.00 0.00 C ATOM 367 C SER A 25 -8.725 -7.805 -6.079 1.00 0.00 C ATOM 368 O SER A 25 -8.621 -6.593 -6.073 1.00 0.00 O ATOM 369 CB SER A 25 -10.432 -7.780 -7.924 1.00 0.00 C ATOM 370 OG SER A 25 -9.941 -6.895 -8.923 1.00 0.00 O ATOM 0 H SER A 25 -10.033 -9.984 -5.930 1.00 0.00 H new ATOM 0 HA SER A 25 -8.426 -8.646 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.149 -8.476 -8.359 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.960 -7.219 -7.153 1.00 0.00 H new ATOM 0 HG SER A 25 -10.689 -6.403 -9.321 1.00 0.00 H new ATOM 376 N LEU A 26 -8.390 -8.518 -5.036 1.00 0.00 N ATOM 377 CA LEU A 26 -7.867 -7.851 -3.809 1.00 0.00 C ATOM 378 C LEU A 26 -6.359 -8.080 -3.679 1.00 0.00 C ATOM 379 O LEU A 26 -5.789 -8.920 -4.347 1.00 0.00 O ATOM 380 CB LEU A 26 -8.615 -8.522 -2.660 1.00 0.00 C ATOM 381 CG LEU A 26 -9.973 -7.842 -2.452 1.00 0.00 C ATOM 382 CD1 LEU A 26 -9.764 -6.406 -1.964 1.00 0.00 C ATOM 383 CD2 LEU A 26 -10.756 -7.827 -3.768 1.00 0.00 C ATOM 0 H LEU A 26 -8.456 -9.534 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.017 -6.772 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.758 -9.580 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.025 -8.461 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.538 -8.399 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.732 -5.927 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.219 -6.418 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.192 -5.849 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.720 -7.342 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.191 -7.278 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.915 -8.850 -4.108 1.00 0.00 H new ATOM 395 N LEU A 27 -5.708 -7.331 -2.827 1.00 0.00 N ATOM 396 CA LEU A 27 -4.239 -7.495 -2.657 1.00 0.00 C ATOM 397 C LEU A 27 -3.924 -7.872 -1.204 1.00 0.00 C ATOM 398 O LEU A 27 -3.618 -7.020 -0.395 1.00 0.00 O ATOM 399 CB LEU A 27 -3.657 -6.122 -3.033 1.00 0.00 C ATOM 400 CG LEU A 27 -2.236 -5.954 -2.475 1.00 0.00 C ATOM 401 CD1 LEU A 27 -1.286 -5.554 -3.606 1.00 0.00 C ATOM 402 CD2 LEU A 27 -2.238 -4.857 -1.406 1.00 0.00 C ATOM 0 H LEU A 27 -6.134 -6.612 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.816 -8.288 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.640 -6.015 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.300 -5.332 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.905 -6.895 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.278 -5.435 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.285 -6.329 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.617 -4.612 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.231 -4.735 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.569 -3.918 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.916 -5.136 -0.599 1.00 0.00 H new ATOM 414 N PRO A 28 -4.009 -9.149 -0.922 1.00 0.00 N ATOM 415 CA PRO A 28 -3.722 -9.642 0.446 1.00 0.00 C ATOM 416 C PRO A 28 -2.213 -9.623 0.694 1.00 0.00 C ATOM 417 O PRO A 28 -1.426 -9.698 -0.230 1.00 0.00 O ATOM 418 CB PRO A 28 -4.251 -11.073 0.432 1.00 0.00 C ATOM 419 CG PRO A 28 -4.219 -11.487 -1.006 1.00 0.00 C ATOM 420 CD PRO A 28 -4.378 -10.238 -1.836 1.00 0.00 C ATOM 0 HA PRO A 28 -4.177 -9.038 1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.632 -11.728 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.263 -11.123 0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.280 -11.987 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.020 -12.195 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.732 -10.258 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.401 -10.127 -2.196 1.00 0.00 H new ATOM 428 N PHE A 29 -1.799 -9.520 1.928 1.00 0.00 N ATOM 429 CA PHE A 29 -0.333 -9.493 2.213 1.00 0.00 C ATOM 430 C PHE A 29 -0.070 -9.692 3.704 1.00 0.00 C ATOM 431 O PHE A 29 -0.981 -9.733 4.508 1.00 0.00 O ATOM 432 CB PHE A 29 0.145 -8.106 1.768 1.00 0.00 C ATOM 433 CG PHE A 29 -0.753 -7.038 2.349 1.00 0.00 C ATOM 434 CD1 PHE A 29 -0.698 -6.737 3.715 1.00 0.00 C ATOM 435 CD2 PHE A 29 -1.643 -6.350 1.516 1.00 0.00 C ATOM 436 CE1 PHE A 29 -1.533 -5.746 4.248 1.00 0.00 C ATOM 437 CE2 PHE A 29 -2.478 -5.362 2.047 1.00 0.00 C ATOM 438 CZ PHE A 29 -2.424 -5.058 3.416 1.00 0.00 C ATOM 0 H PHE A 29 -2.405 -9.454 2.746 1.00 0.00 H new ATOM 0 HA PHE A 29 0.192 -10.292 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.173 -7.945 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.142 -8.043 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.012 -7.269 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.685 -6.582 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.489 -5.513 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.165 -4.833 1.403 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.068 -4.295 3.827 1.00 0.00 H new ATOM 448 N LYS A 30 1.175 -9.814 4.076 1.00 0.00 N ATOM 449 CA LYS A 30 1.513 -10.006 5.513 1.00 0.00 C ATOM 450 C LYS A 30 2.106 -8.716 6.083 1.00 0.00 C ATOM 451 O LYS A 30 2.443 -7.805 5.355 1.00 0.00 O ATOM 452 CB LYS A 30 2.552 -11.127 5.528 1.00 0.00 C ATOM 453 CG LYS A 30 2.708 -11.661 6.954 1.00 0.00 C ATOM 454 CD LYS A 30 3.555 -12.935 6.934 1.00 0.00 C ATOM 455 CE LYS A 30 4.330 -13.052 8.248 1.00 0.00 C ATOM 456 NZ LYS A 30 5.611 -13.718 7.882 1.00 0.00 N ATOM 0 H LYS A 30 1.975 -9.789 3.443 1.00 0.00 H new ATOM 0 HA LYS A 30 0.641 -10.254 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.245 -11.931 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.509 -10.755 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.180 -10.908 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.729 -11.870 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.916 -13.807 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.247 -12.912 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.507 -12.072 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.776 -13.638 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.198 -13.833 8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.411 -14.652 7.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.120 -13.135 7.187 1.00 0.00 H new ATOM 470 N ARG A 31 2.229 -8.633 7.380 1.00 0.00 N ATOM 471 CA ARG A 31 2.800 -7.400 8.013 1.00 0.00 C ATOM 472 C ARG A 31 4.108 -6.985 7.327 1.00 0.00 C ATOM 473 O ARG A 31 4.613 -7.671 6.461 1.00 0.00 O ATOM 474 CB ARG A 31 3.072 -7.793 9.466 1.00 0.00 C ATOM 475 CG ARG A 31 3.267 -6.534 10.314 1.00 0.00 C ATOM 476 CD ARG A 31 2.642 -6.745 11.695 1.00 0.00 C ATOM 477 NE ARG A 31 2.946 -5.496 12.448 1.00 0.00 N ATOM 478 CZ ARG A 31 3.818 -5.516 13.417 1.00 0.00 C ATOM 479 NH1 ARG A 31 4.987 -6.067 13.233 1.00 0.00 N ATOM 480 NH2 ARG A 31 3.523 -4.985 14.572 1.00 0.00 N ATOM 0 H ARG A 31 1.959 -9.367 8.035 1.00 0.00 H new ATOM 0 HA ARG A 31 2.120 -6.553 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.240 -8.380 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.960 -8.422 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.329 -6.312 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.807 -5.677 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.567 -6.910 11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.065 -7.618 12.191 1.00 0.00 H new ATOM 0 HE ARG A 31 2.472 -4.626 12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.219 -6.482 12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.669 -6.082 13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.610 -4.554 14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.206 -5.001 15.330 1.00 0.00 H new ATOM 494 N ASN A 32 4.652 -5.860 7.725 1.00 0.00 N ATOM 495 CA ASN A 32 5.934 -5.350 7.130 1.00 0.00 C ATOM 496 C ASN A 32 6.041 -5.683 5.637 1.00 0.00 C ATOM 497 O ASN A 32 6.984 -6.314 5.199 1.00 0.00 O ATOM 498 CB ASN A 32 7.053 -6.035 7.924 1.00 0.00 C ATOM 499 CG ASN A 32 6.974 -7.553 7.747 1.00 0.00 C ATOM 500 OD1 ASN A 32 6.307 -8.264 8.614 1.00 0.00 O flip ATOM 501 ND2 ASN A 32 7.528 -8.097 6.812 1.00 0.00 N flip ATOM 0 H ASN A 32 4.256 -5.261 8.450 1.00 0.00 H new ATOM 0 HA ASN A 32 5.992 -4.263 7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.024 -5.672 7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.968 -5.780 8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.049 -7.541 6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.472 -9.110 6.705 1.00 0.00 H new ATOM 508 N ASP A 33 5.090 -5.253 4.853 1.00 0.00 N ATOM 509 CA ASP A 33 5.145 -5.535 3.388 1.00 0.00 C ATOM 510 C ASP A 33 5.061 -4.224 2.606 1.00 0.00 C ATOM 511 O ASP A 33 4.210 -3.401 2.857 1.00 0.00 O ATOM 512 CB ASP A 33 3.925 -6.412 3.101 1.00 0.00 C ATOM 513 CG ASP A 33 4.373 -7.858 2.879 1.00 0.00 C ATOM 514 OD1 ASP A 33 5.300 -8.059 2.112 1.00 0.00 O ATOM 515 OD2 ASP A 33 3.783 -8.741 3.481 1.00 0.00 O ATOM 0 H ASP A 33 4.278 -4.719 5.162 1.00 0.00 H new ATOM 0 HA ASP A 33 6.072 -6.028 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.224 -6.362 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.399 -6.044 2.220 1.00 0.00 H new ATOM 520 N ILE A 34 5.942 -4.018 1.667 1.00 0.00 N ATOM 521 CA ILE A 34 5.909 -2.749 0.882 1.00 0.00 C ATOM 522 C ILE A 34 4.880 -2.845 -0.250 1.00 0.00 C ATOM 523 O ILE A 34 5.138 -3.424 -1.288 1.00 0.00 O ATOM 524 CB ILE A 34 7.320 -2.598 0.313 1.00 0.00 C ATOM 525 CG1 ILE A 34 8.341 -2.567 1.460 1.00 0.00 C ATOM 526 CG2 ILE A 34 7.418 -1.302 -0.500 1.00 0.00 C ATOM 527 CD1 ILE A 34 8.036 -1.400 2.404 1.00 0.00 C ATOM 0 H ILE A 34 6.682 -4.671 1.409 1.00 0.00 H new ATOM 0 HA ILE A 34 5.622 -1.895 1.495 1.00 0.00 H new ATOM 0 HB ILE A 34 7.535 -3.446 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.310 -3.508 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.349 -2.466 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.426 -1.200 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.701 -1.332 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.197 -0.451 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.766 -1.387 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.090 -0.462 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.035 -1.520 2.819 1.00 0.00 H new ATOM 539 N ILE A 35 3.721 -2.274 -0.059 1.00 0.00 N ATOM 540 CA ILE A 35 2.674 -2.318 -1.122 1.00 0.00 C ATOM 541 C ILE A 35 2.924 -1.197 -2.138 1.00 0.00 C ATOM 542 O ILE A 35 2.847 -0.028 -1.816 1.00 0.00 O ATOM 543 CB ILE A 35 1.352 -2.107 -0.373 1.00 0.00 C ATOM 544 CG1 ILE A 35 0.957 -3.411 0.321 1.00 0.00 C ATOM 545 CG2 ILE A 35 0.245 -1.699 -1.353 1.00 0.00 C ATOM 546 CD1 ILE A 35 -0.015 -3.111 1.462 1.00 0.00 C ATOM 0 H ILE A 35 3.453 -1.777 0.790 1.00 0.00 H new ATOM 0 HA ILE A 35 2.671 -3.253 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 35 1.481 -1.314 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.494 -4.090 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.844 -3.912 0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.688 -1.553 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.524 -0.770 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.111 -2.484 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.295 -4.042 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.464 -2.448 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.907 -2.629 1.063 1.00 0.00 H new ATOM 558 N THR A 36 3.231 -1.547 -3.359 1.00 0.00 N ATOM 559 CA THR A 36 3.494 -0.502 -4.390 1.00 0.00 C ATOM 560 C THR A 36 2.179 0.089 -4.902 1.00 0.00 C ATOM 561 O THR A 36 1.509 -0.492 -5.735 1.00 0.00 O ATOM 562 CB THR A 36 4.230 -1.230 -5.515 1.00 0.00 C ATOM 563 OG1 THR A 36 5.330 -1.947 -4.973 1.00 0.00 O ATOM 564 CG2 THR A 36 4.737 -0.213 -6.539 1.00 0.00 C ATOM 0 H THR A 36 3.311 -2.510 -3.686 1.00 0.00 H new ATOM 0 HA THR A 36 4.077 0.329 -3.992 1.00 0.00 H new ATOM 0 HB THR A 36 3.548 -1.925 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.802 -2.416 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.261 -0.734 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.892 0.336 -6.955 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.419 0.484 -6.052 1.00 0.00 H new ATOM 572 N ILE A 37 1.809 1.244 -4.417 1.00 0.00 N ATOM 573 CA ILE A 37 0.541 1.885 -4.879 1.00 0.00 C ATOM 574 C ILE A 37 0.577 2.054 -6.405 1.00 0.00 C ATOM 575 O ILE A 37 1.415 2.754 -6.941 1.00 0.00 O ATOM 576 CB ILE A 37 0.506 3.242 -4.157 1.00 0.00 C ATOM 577 CG1 ILE A 37 -0.275 3.100 -2.848 1.00 0.00 C ATOM 578 CG2 ILE A 37 -0.173 4.302 -5.026 1.00 0.00 C ATOM 579 CD1 ILE A 37 0.219 4.147 -1.849 1.00 0.00 C ATOM 0 H ILE A 37 2.331 1.774 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.348 1.295 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 37 1.531 3.553 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.342 3.230 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.142 2.099 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.186 5.254 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.378 4.415 -5.959 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.196 3.994 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.335 4.049 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.281 3.995 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.063 5.144 -2.260 1.00 0.00 H new ATOM 591 N THR A 38 -0.322 1.416 -7.104 1.00 0.00 N ATOM 592 CA THR A 38 -0.339 1.532 -8.591 1.00 0.00 C ATOM 593 C THR A 38 -1.346 2.599 -9.027 1.00 0.00 C ATOM 594 O THR A 38 -1.192 3.226 -10.056 1.00 0.00 O ATOM 595 CB THR A 38 -0.767 0.152 -9.094 1.00 0.00 C ATOM 596 OG1 THR A 38 -2.064 -0.149 -8.601 1.00 0.00 O ATOM 597 CG2 THR A 38 0.225 -0.905 -8.604 1.00 0.00 C ATOM 0 H THR A 38 -1.047 0.818 -6.709 1.00 0.00 H new ATOM 0 HA THR A 38 0.630 1.828 -8.992 1.00 0.00 H new ATOM 0 HB THR A 38 -0.783 0.153 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.259 0.417 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.082 -1.887 -8.964 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.220 -0.674 -8.984 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.245 -0.908 -7.514 1.00 0.00 H new ATOM 605 N PHE A 39 -2.377 2.807 -8.253 1.00 0.00 N ATOM 606 CA PHE A 39 -3.392 3.834 -8.625 1.00 0.00 C ATOM 607 C PHE A 39 -4.117 4.349 -7.378 1.00 0.00 C ATOM 608 O PHE A 39 -4.843 3.623 -6.723 1.00 0.00 O ATOM 609 CB PHE A 39 -4.369 3.110 -9.553 1.00 0.00 C ATOM 610 CG PHE A 39 -5.325 4.111 -10.153 1.00 0.00 C ATOM 611 CD1 PHE A 39 -4.849 5.101 -11.020 1.00 0.00 C ATOM 612 CD2 PHE A 39 -6.688 4.050 -9.842 1.00 0.00 C ATOM 613 CE1 PHE A 39 -5.736 6.032 -11.576 1.00 0.00 C ATOM 614 CE2 PHE A 39 -7.576 4.979 -10.398 1.00 0.00 C ATOM 615 CZ PHE A 39 -7.099 5.971 -11.265 1.00 0.00 C ATOM 0 H PHE A 39 -2.560 2.311 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.939 4.701 -9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.823 2.594 -10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.921 2.351 -8.998 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.797 5.147 -11.261 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.055 3.286 -9.173 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.368 6.796 -12.244 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.628 4.931 -10.159 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.783 6.689 -11.693 1.00 0.00 H new ATOM 625 N LYS A 40 -3.926 5.600 -7.051 1.00 0.00 N ATOM 626 CA LYS A 40 -4.602 6.178 -5.855 1.00 0.00 C ATOM 627 C LYS A 40 -5.927 6.819 -6.267 1.00 0.00 C ATOM 628 O LYS A 40 -5.955 7.854 -6.902 1.00 0.00 O ATOM 629 CB LYS A 40 -3.638 7.237 -5.327 1.00 0.00 C ATOM 630 CG LYS A 40 -2.576 6.564 -4.463 1.00 0.00 C ATOM 631 CD LYS A 40 -2.023 7.573 -3.455 1.00 0.00 C ATOM 632 CE LYS A 40 -1.347 6.829 -2.301 1.00 0.00 C ATOM 633 NZ LYS A 40 -1.536 7.708 -1.114 1.00 0.00 N ATOM 0 H LYS A 40 -3.328 6.248 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.829 5.424 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.168 7.764 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.180 7.981 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.006 5.710 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.771 6.182 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.307 8.235 -3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.829 8.200 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.800 5.850 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.289 6.662 -2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.701 7.643 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.659 8.692 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.380 7.404 -0.588 1.00 0.00 H new ATOM 647 N ASP A 41 -7.022 6.209 -5.909 1.00 0.00 N ATOM 648 CA ASP A 41 -8.355 6.777 -6.280 1.00 0.00 C ATOM 649 C ASP A 41 -9.481 5.906 -5.718 1.00 0.00 C ATOM 650 O ASP A 41 -10.533 5.780 -6.313 1.00 0.00 O ATOM 651 CB ASP A 41 -8.387 6.765 -7.812 1.00 0.00 C ATOM 652 CG ASP A 41 -8.258 8.197 -8.341 1.00 0.00 C ATOM 653 OD1 ASP A 41 -9.044 9.032 -7.926 1.00 0.00 O ATOM 654 OD2 ASP A 41 -7.376 8.431 -9.150 1.00 0.00 O ATOM 0 H ASP A 41 -7.055 5.341 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.496 7.780 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.574 6.150 -8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.318 6.320 -8.163 1.00 0.00 H new ATOM 659 N GLN A 42 -9.270 5.308 -4.577 1.00 0.00 N ATOM 660 CA GLN A 42 -10.332 4.449 -3.978 1.00 0.00 C ATOM 661 C GLN A 42 -10.884 5.112 -2.714 1.00 0.00 C ATOM 662 O GLN A 42 -10.902 4.528 -1.648 1.00 0.00 O ATOM 663 CB GLN A 42 -9.631 3.130 -3.640 1.00 0.00 C ATOM 664 CG GLN A 42 -10.413 1.960 -4.247 1.00 0.00 C ATOM 665 CD GLN A 42 -9.597 1.327 -5.376 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.051 0.155 -5.194 1.00 0.00 O flip ATOM 667 NE2 GLN A 42 -9.455 1.904 -6.436 1.00 0.00 N flip ATOM 0 H GLN A 42 -8.409 5.377 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.176 4.295 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.612 3.139 -4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.560 3.011 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.628 1.217 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.372 2.310 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.881 2.820 -6.579 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.910 1.473 -7.182 1.00 0.00 H new ATOM 676 N GLU A 43 -11.336 6.335 -2.829 1.00 0.00 N ATOM 677 CA GLU A 43 -11.889 7.054 -1.642 1.00 0.00 C ATOM 678 C GLU A 43 -10.854 7.096 -0.512 1.00 0.00 C ATOM 679 O GLU A 43 -11.197 7.093 0.652 1.00 0.00 O ATOM 680 CB GLU A 43 -13.120 6.246 -1.217 1.00 0.00 C ATOM 681 CG GLU A 43 -14.295 7.196 -0.969 1.00 0.00 C ATOM 682 CD GLU A 43 -15.595 6.531 -1.425 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.858 5.424 -0.984 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.306 7.140 -2.208 1.00 0.00 O ATOM 0 H GLU A 43 -11.346 6.869 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.144 8.088 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.379 5.524 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.901 5.678 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.355 7.448 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.142 8.129 -1.511 1.00 0.00 H new ATOM 691 N ASN A 44 -9.589 7.140 -0.854 1.00 0.00 N ATOM 692 CA ASN A 44 -8.509 7.188 0.186 1.00 0.00 C ATOM 693 C ASN A 44 -8.441 5.869 0.966 1.00 0.00 C ATOM 694 O ASN A 44 -7.425 5.203 0.975 1.00 0.00 O ATOM 695 CB ASN A 44 -8.881 8.347 1.117 1.00 0.00 C ATOM 696 CG ASN A 44 -7.606 9.033 1.612 1.00 0.00 C ATOM 697 OD1 ASN A 44 -7.523 10.244 1.631 1.00 0.00 O ATOM 698 ND2 ASN A 44 -6.603 8.304 2.017 1.00 0.00 N ATOM 0 H ASN A 44 -9.254 7.145 -1.817 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.528 7.333 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.511 9.063 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.459 7.976 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.749 8.751 2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.673 7.287 2.001 1.00 0.00 H new ATOM 705 N LYS A 45 -9.509 5.494 1.626 1.00 0.00 N ATOM 706 CA LYS A 45 -9.512 4.221 2.418 1.00 0.00 C ATOM 707 C LYS A 45 -8.868 3.074 1.625 1.00 0.00 C ATOM 708 O LYS A 45 -7.805 2.595 1.967 1.00 0.00 O ATOM 709 CB LYS A 45 -10.991 3.924 2.681 1.00 0.00 C ATOM 710 CG LYS A 45 -11.193 3.583 4.162 1.00 0.00 C ATOM 711 CD LYS A 45 -11.851 4.768 4.875 1.00 0.00 C ATOM 712 CE LYS A 45 -12.667 4.258 6.065 1.00 0.00 C ATOM 713 NZ LYS A 45 -13.930 3.739 5.470 1.00 0.00 N ATOM 0 H LYS A 45 -10.384 6.017 1.651 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.937 4.318 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.599 4.787 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.322 3.093 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.817 2.694 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.234 3.352 4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.090 5.469 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.496 5.310 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.133 3.475 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.866 5.057 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.738 4.272 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.898 3.849 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.037 2.732 5.707 1.00 0.00 H new ATOM 727 N TRP A 46 -9.504 2.631 0.576 1.00 0.00 N ATOM 728 CA TRP A 46 -8.923 1.516 -0.229 1.00 0.00 C ATOM 729 C TRP A 46 -7.803 2.044 -1.131 1.00 0.00 C ATOM 730 O TRP A 46 -7.706 3.228 -1.387 1.00 0.00 O ATOM 731 CB TRP A 46 -10.085 0.979 -1.064 1.00 0.00 C ATOM 732 CG TRP A 46 -10.969 0.137 -0.201 1.00 0.00 C ATOM 733 CD1 TRP A 46 -12.054 0.586 0.471 1.00 0.00 C ATOM 734 CD2 TRP A 46 -10.864 -1.286 0.094 1.00 0.00 C ATOM 735 NE1 TRP A 46 -12.621 -0.471 1.161 1.00 0.00 N ATOM 736 CE2 TRP A 46 -11.924 -1.646 0.961 1.00 0.00 C ATOM 737 CE3 TRP A 46 -9.961 -2.290 -0.301 1.00 0.00 C ATOM 738 CZ2 TRP A 46 -12.082 -2.955 1.418 1.00 0.00 C ATOM 739 CZ3 TRP A 46 -10.118 -3.608 0.157 1.00 0.00 C ATOM 740 CH2 TRP A 46 -11.176 -3.940 1.015 1.00 0.00 C ATOM 0 H TRP A 46 -10.398 2.990 0.241 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.484 0.739 0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.654 1.806 -1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -9.706 0.390 -1.899 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -12.418 1.603 0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -13.453 -0.392 1.746 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.142 -2.045 -0.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -12.899 -3.205 2.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.419 -4.371 -0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -11.291 -4.956 1.364 1.00 0.00 H new ATOM 751 N PHE A 47 -6.953 1.174 -1.610 1.00 0.00 N ATOM 752 CA PHE A 47 -5.835 1.626 -2.491 1.00 0.00 C ATOM 753 C PHE A 47 -5.514 0.565 -3.542 1.00 0.00 C ATOM 754 O PHE A 47 -5.360 -0.599 -3.227 1.00 0.00 O ATOM 755 CB PHE A 47 -4.635 1.786 -1.559 1.00 0.00 C ATOM 756 CG PHE A 47 -4.465 3.231 -1.169 1.00 0.00 C ATOM 757 CD1 PHE A 47 -4.439 4.228 -2.151 1.00 0.00 C ATOM 758 CD2 PHE A 47 -4.327 3.571 0.180 1.00 0.00 C ATOM 759 CE1 PHE A 47 -4.275 5.567 -1.781 1.00 0.00 C ATOM 760 CE2 PHE A 47 -4.164 4.907 0.553 1.00 0.00 C ATOM 761 CZ PHE A 47 -4.137 5.909 -0.429 1.00 0.00 C ATOM 0 H PHE A 47 -6.984 0.171 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.089 2.545 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.775 1.176 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.732 1.427 -2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.545 3.964 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.346 2.799 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.255 6.338 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.059 5.169 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.010 6.943 -0.143 1.00 0.00 H new ATOM 771 N MET A 48 -5.378 0.958 -4.780 1.00 0.00 N ATOM 772 CA MET A 48 -5.027 -0.030 -5.839 1.00 0.00 C ATOM 773 C MET A 48 -3.513 -0.251 -5.816 1.00 0.00 C ATOM 774 O MET A 48 -2.757 0.546 -6.334 1.00 0.00 O ATOM 775 CB MET A 48 -5.462 0.616 -7.156 1.00 0.00 C ATOM 776 CG MET A 48 -6.215 -0.407 -8.011 1.00 0.00 C ATOM 777 SD MET A 48 -7.681 0.368 -8.739 1.00 0.00 S ATOM 778 CE MET A 48 -7.825 -0.723 -10.175 1.00 0.00 C ATOM 0 H MET A 48 -5.495 1.919 -5.103 1.00 0.00 H new ATOM 0 HA MET A 48 -5.510 -0.997 -5.700 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.100 1.477 -6.956 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.590 0.984 -7.697 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.564 -0.787 -8.798 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.508 -1.261 -7.400 1.00 0.00 H new ATOM 0 HE1 MET A 48 -8.682 -0.421 -10.777 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.918 -0.656 -10.776 1.00 0.00 H new ATOM 0 HE3 MET A 48 -7.962 -1.751 -9.839 1.00 0.00 H new ATOM 788 N GLY A 49 -3.062 -1.309 -5.195 1.00 0.00 N ATOM 789 CA GLY A 49 -1.592 -1.551 -5.117 1.00 0.00 C ATOM 790 C GLY A 49 -1.232 -2.882 -5.772 1.00 0.00 C ATOM 791 O GLY A 49 -2.085 -3.623 -6.218 1.00 0.00 O ATOM 0 H GLY A 49 -3.645 -2.012 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.058 -0.740 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.273 -1.554 -4.075 1.00 0.00 H new ATOM 795 N GLN A 50 0.036 -3.183 -5.830 1.00 0.00 N ATOM 796 CA GLN A 50 0.483 -4.455 -6.452 1.00 0.00 C ATOM 797 C GLN A 50 1.709 -4.994 -5.706 1.00 0.00 C ATOM 798 O GLN A 50 2.512 -4.241 -5.185 1.00 0.00 O ATOM 799 CB GLN A 50 0.842 -4.069 -7.888 1.00 0.00 C ATOM 800 CG GLN A 50 1.427 -5.278 -8.620 1.00 0.00 C ATOM 801 CD GLN A 50 2.747 -4.887 -9.288 1.00 0.00 C ATOM 802 OE1 GLN A 50 2.808 -4.720 -10.489 1.00 0.00 O ATOM 803 NE2 GLN A 50 3.814 -4.732 -8.552 1.00 0.00 N ATOM 0 H GLN A 50 0.787 -2.594 -5.469 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.275 -5.238 -6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.045 -3.711 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.562 -3.251 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.592 -6.096 -7.918 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.722 -5.638 -9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.762 -4.872 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.699 -4.470 -8.986 1.00 0.00 H new ATOM 812 N LEU A 51 1.859 -6.291 -5.651 1.00 0.00 N ATOM 813 CA LEU A 51 3.030 -6.884 -4.942 1.00 0.00 C ATOM 814 C LEU A 51 3.626 -8.026 -5.772 1.00 0.00 C ATOM 815 O LEU A 51 3.459 -8.084 -6.975 1.00 0.00 O ATOM 816 CB LEU A 51 2.469 -7.413 -3.621 1.00 0.00 C ATOM 817 CG LEU A 51 3.423 -7.058 -2.481 1.00 0.00 C ATOM 818 CD1 LEU A 51 3.470 -5.539 -2.306 1.00 0.00 C ATOM 819 CD2 LEU A 51 2.928 -7.704 -1.184 1.00 0.00 C ATOM 0 H LEU A 51 1.219 -6.967 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 51 3.828 -6.159 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.485 -6.982 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.338 -8.494 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 51 4.421 -7.427 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.151 -5.287 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.821 -5.077 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.472 -5.169 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.607 -7.452 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.929 -7.334 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.894 -8.787 -1.306 1.00 0.00 H new ATOM 831 N ASN A 52 4.321 -8.934 -5.138 1.00 0.00 N ATOM 832 CA ASN A 52 4.930 -10.073 -5.889 1.00 0.00 C ATOM 833 C ASN A 52 3.841 -10.891 -6.589 1.00 0.00 C ATOM 834 O ASN A 52 3.234 -11.765 -6.001 1.00 0.00 O ATOM 835 CB ASN A 52 5.636 -10.918 -4.827 1.00 0.00 C ATOM 836 CG ASN A 52 7.107 -10.507 -4.743 1.00 0.00 C ATOM 837 OD1 ASN A 52 7.989 -11.333 -4.874 1.00 0.00 O ATOM 838 ND2 ASN A 52 7.412 -9.257 -4.529 1.00 0.00 N ATOM 0 H ASN A 52 4.494 -8.937 -4.133 1.00 0.00 H new ATOM 0 HA ASN A 52 5.618 -9.734 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.154 -10.782 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.557 -11.976 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.390 -8.973 -4.472 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.672 -8.563 -4.419 1.00 0.00 H new ATOM 845 N GLY A 53 3.592 -10.614 -7.841 1.00 0.00 N ATOM 846 CA GLY A 53 2.545 -11.374 -8.583 1.00 0.00 C ATOM 847 C GLY A 53 1.164 -11.081 -7.986 1.00 0.00 C ATOM 848 O GLY A 53 0.211 -11.791 -8.236 1.00 0.00 O ATOM 0 H GLY A 53 4.069 -9.893 -8.382 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.561 -11.097 -9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.754 -12.443 -8.531 1.00 0.00 H new ATOM 852 N LYS A 54 1.047 -10.040 -7.203 1.00 0.00 N ATOM 853 CA LYS A 54 -0.275 -9.708 -6.596 1.00 0.00 C ATOM 854 C LYS A 54 -0.733 -8.324 -7.056 1.00 0.00 C ATOM 855 O LYS A 54 0.067 -7.451 -7.322 1.00 0.00 O ATOM 856 CB LYS A 54 -0.033 -9.718 -5.085 1.00 0.00 C ATOM 857 CG LYS A 54 -0.636 -10.987 -4.473 1.00 0.00 C ATOM 858 CD LYS A 54 -0.039 -12.221 -5.154 1.00 0.00 C ATOM 859 CE LYS A 54 -0.083 -13.412 -4.190 1.00 0.00 C ATOM 860 NZ LYS A 54 -1.101 -14.336 -4.764 1.00 0.00 N ATOM 0 H LYS A 54 1.808 -9.407 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.052 -10.414 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.036 -9.676 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.481 -8.835 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.435 -11.017 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.719 -10.981 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.597 -12.454 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.990 -12.021 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.891 -13.895 -4.115 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.360 -13.096 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.188 -15.177 -4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.020 -13.851 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.808 -14.626 -5.719 1.00 0.00 H new ATOM 874 N GLU A 55 -2.016 -8.119 -7.149 1.00 0.00 N ATOM 875 CA GLU A 55 -2.533 -6.794 -7.589 1.00 0.00 C ATOM 876 C GLU A 55 -4.018 -6.679 -7.239 1.00 0.00 C ATOM 877 O GLU A 55 -4.844 -7.395 -7.771 1.00 0.00 O ATOM 878 CB GLU A 55 -2.329 -6.775 -9.104 1.00 0.00 C ATOM 879 CG GLU A 55 -2.950 -5.507 -9.688 1.00 0.00 C ATOM 880 CD GLU A 55 -2.187 -5.095 -10.948 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.962 -5.950 -11.787 1.00 0.00 O ATOM 882 OE2 GLU A 55 -1.840 -3.929 -11.051 1.00 0.00 O ATOM 0 H GLU A 55 -2.732 -8.814 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.024 -5.961 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.265 -6.813 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.786 -7.656 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.999 -5.681 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.919 -4.703 -8.953 1.00 0.00 H new ATOM 889 N GLY A 56 -4.364 -5.789 -6.347 1.00 0.00 N ATOM 890 CA GLY A 56 -5.798 -5.645 -5.973 1.00 0.00 C ATOM 891 C GLY A 56 -6.014 -4.379 -5.140 1.00 0.00 C ATOM 892 O GLY A 56 -5.684 -3.286 -5.558 1.00 0.00 O ATOM 0 H GLY A 56 -3.720 -5.161 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.412 -5.604 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.121 -6.519 -5.407 1.00 0.00 H new ATOM 896 N SER A 57 -6.589 -4.518 -3.973 1.00 0.00 N ATOM 897 CA SER A 57 -6.857 -3.318 -3.127 1.00 0.00 C ATOM 898 C SER A 57 -6.580 -3.593 -1.645 1.00 0.00 C ATOM 899 O SER A 57 -6.484 -4.725 -1.213 1.00 0.00 O ATOM 900 CB SER A 57 -8.344 -3.044 -3.324 1.00 0.00 C ATOM 901 OG SER A 57 -8.637 -3.018 -4.715 1.00 0.00 O ATOM 0 H SER A 57 -6.883 -5.408 -3.571 1.00 0.00 H new ATOM 0 HA SER A 57 -6.217 -2.482 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.936 -3.815 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.614 -2.092 -2.866 1.00 0.00 H new ATOM 0 HG SER A 57 -8.774 -2.091 -5.003 1.00 0.00 H new ATOM 907 N PHE A 58 -6.478 -2.549 -0.866 1.00 0.00 N ATOM 908 CA PHE A 58 -6.238 -2.708 0.599 1.00 0.00 C ATOM 909 C PHE A 58 -6.545 -1.381 1.319 1.00 0.00 C ATOM 910 O PHE A 58 -6.122 -0.331 0.880 1.00 0.00 O ATOM 911 CB PHE A 58 -4.766 -3.098 0.737 1.00 0.00 C ATOM 912 CG PHE A 58 -3.896 -2.055 0.107 1.00 0.00 C ATOM 913 CD1 PHE A 58 -3.712 -2.051 -1.276 1.00 0.00 C ATOM 914 CD2 PHE A 58 -3.265 -1.101 0.908 1.00 0.00 C ATOM 915 CE1 PHE A 58 -2.895 -1.088 -1.861 1.00 0.00 C ATOM 916 CE2 PHE A 58 -2.446 -0.139 0.321 1.00 0.00 C ATOM 917 CZ PHE A 58 -2.262 -0.134 -1.063 1.00 0.00 C ATOM 0 H PHE A 58 -6.551 -1.583 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.879 -3.466 1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.509 -3.210 1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.592 -4.063 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.202 -2.792 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.411 -1.109 1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.751 -1.079 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.955 0.601 0.935 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.627 0.612 -1.518 1.00 0.00 H new ATOM 927 N PRO A 59 -7.304 -1.472 2.390 1.00 0.00 N ATOM 928 CA PRO A 59 -7.706 -0.257 3.159 1.00 0.00 C ATOM 929 C PRO A 59 -6.529 0.382 3.908 1.00 0.00 C ATOM 930 O PRO A 59 -5.615 -0.284 4.356 1.00 0.00 O ATOM 931 CB PRO A 59 -8.740 -0.789 4.149 1.00 0.00 C ATOM 932 CG PRO A 59 -8.416 -2.239 4.302 1.00 0.00 C ATOM 933 CD PRO A 59 -7.856 -2.698 2.983 1.00 0.00 C ATOM 0 HA PRO A 59 -8.084 0.528 2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.677 -0.267 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.754 -0.648 3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.693 -2.392 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.307 -2.809 4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.087 -3.458 3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -8.629 -3.135 2.351 1.00 0.00 H new ATOM 941 N VAL A 60 -6.570 1.681 4.065 1.00 0.00 N ATOM 942 CA VAL A 60 -5.480 2.397 4.799 1.00 0.00 C ATOM 943 C VAL A 60 -5.475 1.998 6.282 1.00 0.00 C ATOM 944 O VAL A 60 -4.595 2.378 7.029 1.00 0.00 O ATOM 945 CB VAL A 60 -5.815 3.886 4.665 1.00 0.00 C ATOM 946 CG1 VAL A 60 -4.680 4.723 5.265 1.00 0.00 C ATOM 947 CG2 VAL A 60 -5.991 4.248 3.187 1.00 0.00 C ATOM 0 H VAL A 60 -7.316 2.281 3.714 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.497 2.154 4.395 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.742 4.094 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.919 5.782 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.561 4.472 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.752 4.511 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.229 5.308 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.067 4.037 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.802 3.657 2.762 1.00 0.00 H new ATOM 957 N ASP A 61 -6.460 1.255 6.718 1.00 0.00 N ATOM 958 CA ASP A 61 -6.524 0.854 8.153 1.00 0.00 C ATOM 959 C ASP A 61 -5.339 -0.035 8.540 1.00 0.00 C ATOM 960 O ASP A 61 -5.074 -0.236 9.710 1.00 0.00 O ATOM 961 CB ASP A 61 -7.836 0.080 8.289 1.00 0.00 C ATOM 962 CG ASP A 61 -8.316 0.139 9.740 1.00 0.00 C ATOM 963 OD1 ASP A 61 -8.993 1.095 10.080 1.00 0.00 O ATOM 964 OD2 ASP A 61 -7.999 -0.773 10.485 1.00 0.00 O ATOM 0 H ASP A 61 -7.225 0.908 6.139 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.480 1.722 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.591 0.505 7.628 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.692 -0.957 7.984 1.00 0.00 H new ATOM 969 N HIS A 62 -4.622 -0.576 7.588 1.00 0.00 N ATOM 970 CA HIS A 62 -3.466 -1.452 7.966 1.00 0.00 C ATOM 971 C HIS A 62 -2.253 -1.237 7.059 1.00 0.00 C ATOM 972 O HIS A 62 -1.424 -2.114 6.912 1.00 0.00 O ATOM 973 CB HIS A 62 -3.978 -2.892 7.857 1.00 0.00 C ATOM 974 CG HIS A 62 -4.520 -3.177 6.484 1.00 0.00 C ATOM 975 ND1 HIS A 62 -4.392 -2.297 5.423 1.00 0.00 N ATOM 976 CD2 HIS A 62 -5.191 -4.265 5.987 1.00 0.00 C ATOM 977 CE1 HIS A 62 -4.973 -2.869 4.355 1.00 0.00 C ATOM 978 NE2 HIS A 62 -5.476 -4.066 4.644 1.00 0.00 N ATOM 0 H HIS A 62 -4.779 -0.455 6.587 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.123 -1.216 8.973 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.168 -3.586 8.082 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.758 -3.060 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.457 -5.144 6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.025 -2.411 3.378 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -5.966 -4.701 4.014 1.00 0.00 H new ATOM 986 N VAL A 63 -2.121 -0.080 6.471 1.00 0.00 N ATOM 987 CA VAL A 63 -0.935 0.173 5.602 1.00 0.00 C ATOM 988 C VAL A 63 -0.408 1.591 5.827 1.00 0.00 C ATOM 989 O VAL A 63 -1.161 2.537 5.946 1.00 0.00 O ATOM 990 CB VAL A 63 -1.420 0.003 4.158 1.00 0.00 C ATOM 991 CG1 VAL A 63 -1.855 -1.445 3.922 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.598 0.939 3.891 1.00 0.00 C ATOM 0 H VAL A 63 -2.777 0.697 6.553 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.120 -0.514 5.828 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.603 0.249 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.199 -1.559 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.011 -2.112 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.666 -1.697 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.937 0.813 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.414 0.701 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.285 1.971 4.045 1.00 0.00 H new ATOM 1002 N GLU A 64 0.884 1.742 5.877 1.00 0.00 N ATOM 1003 CA GLU A 64 1.471 3.094 6.081 1.00 0.00 C ATOM 1004 C GLU A 64 1.780 3.707 4.717 1.00 0.00 C ATOM 1005 O GLU A 64 1.666 3.050 3.703 1.00 0.00 O ATOM 1006 CB GLU A 64 2.755 2.859 6.877 1.00 0.00 C ATOM 1007 CG GLU A 64 3.382 4.204 7.244 1.00 0.00 C ATOM 1008 CD GLU A 64 4.469 3.990 8.298 1.00 0.00 C ATOM 1009 OE1 GLU A 64 5.405 3.259 8.017 1.00 0.00 O ATOM 1010 OE2 GLU A 64 4.347 4.561 9.370 1.00 0.00 O ATOM 0 H GLU A 64 1.561 0.985 5.785 1.00 0.00 H new ATOM 0 HA GLU A 64 0.803 3.776 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.536 2.289 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.457 2.267 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.808 4.673 6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.618 4.881 7.626 1.00 0.00 H new ATOM 1017 N ILE A 65 2.148 4.958 4.670 1.00 0.00 N ATOM 1018 CA ILE A 65 2.438 5.589 3.347 1.00 0.00 C ATOM 1019 C ILE A 65 3.901 6.027 3.266 1.00 0.00 C ATOM 1020 O ILE A 65 4.390 6.761 4.103 1.00 0.00 O ATOM 1021 CB ILE A 65 1.503 6.801 3.260 1.00 0.00 C ATOM 1022 CG1 ILE A 65 0.092 6.423 3.742 1.00 0.00 C ATOM 1023 CG2 ILE A 65 1.431 7.281 1.809 1.00 0.00 C ATOM 1024 CD1 ILE A 65 -0.372 5.126 3.067 1.00 0.00 C ATOM 0 H ILE A 65 2.260 5.567 5.480 1.00 0.00 H new ATOM 0 HA ILE A 65 2.276 4.894 2.523 1.00 0.00 H new ATOM 0 HB ILE A 65 1.893 7.596 3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.092 6.298 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.605 7.229 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.767 8.143 1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.427 7.564 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.047 6.479 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.372 4.871 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.391 5.265 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.317 4.319 3.317 1.00 0.00 H new ATOM 1036 N LEU A 66 4.599 5.584 2.254 1.00 0.00 N ATOM 1037 CA LEU A 66 6.030 5.972 2.099 1.00 0.00 C ATOM 1038 C LEU A 66 6.150 7.149 1.128 1.00 0.00 C ATOM 1039 O LEU A 66 6.052 6.988 -0.075 1.00 0.00 O ATOM 1040 CB LEU A 66 6.719 4.730 1.529 1.00 0.00 C ATOM 1041 CG LEU A 66 6.580 3.569 2.514 1.00 0.00 C ATOM 1042 CD1 LEU A 66 6.831 2.248 1.785 1.00 0.00 C ATOM 1043 CD2 LEU A 66 7.603 3.730 3.641 1.00 0.00 C ATOM 0 H LEU A 66 4.237 4.968 1.526 1.00 0.00 H new ATOM 0 HA LEU A 66 6.480 6.288 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.274 4.462 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.773 4.939 1.344 1.00 0.00 H new ATOM 0 HG LEU A 66 5.574 3.568 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.732 1.420 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.103 2.132 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.837 2.249 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.504 2.902 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.609 3.732 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.426 4.671 4.162 1.00 0.00 H new ATOM 1055 N LEU A 67 6.354 8.331 1.646 1.00 0.00 N ATOM 1056 CA LEU A 67 6.477 9.529 0.766 1.00 0.00 C ATOM 1057 C LEU A 67 7.941 9.760 0.380 1.00 0.00 C ATOM 1058 O LEU A 67 8.238 10.400 -0.610 1.00 0.00 O ATOM 1059 CB LEU A 67 5.955 10.691 1.612 1.00 0.00 C ATOM 1060 CG LEU A 67 5.855 11.950 0.749 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.659 12.789 1.204 1.00 0.00 C ATOM 1062 CD2 LEU A 67 7.137 12.773 0.896 1.00 0.00 C ATOM 0 H LEU A 67 6.441 8.519 2.645 1.00 0.00 H new ATOM 0 HA LEU A 67 5.921 9.417 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.977 10.443 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.622 10.868 2.456 1.00 0.00 H new ATOM 0 HG LEU A 67 5.723 11.663 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.589 13.686 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.744 12.205 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.791 13.075 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.066 13.670 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.269 13.058 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.991 12.178 0.572 1.00 0.00 H new ATOM 1074 N SER A 68 8.859 9.246 1.157 1.00 0.00 N ATOM 1075 CA SER A 68 10.307 9.435 0.838 1.00 0.00 C ATOM 1076 C SER A 68 10.622 8.917 -0.571 1.00 0.00 C ATOM 1077 O SER A 68 11.606 9.296 -1.174 1.00 0.00 O ATOM 1078 CB SER A 68 11.056 8.615 1.888 1.00 0.00 C ATOM 1079 OG SER A 68 12.411 9.041 1.937 1.00 0.00 O ATOM 0 H SER A 68 8.669 8.703 1.999 1.00 0.00 H new ATOM 0 HA SER A 68 10.594 10.486 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.588 8.739 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.005 7.554 1.642 1.00 0.00 H new ATOM 0 HG SER A 68 12.894 8.518 2.611 1.00 0.00 H new ATOM 1085 N ASP A 69 9.792 8.055 -1.099 1.00 0.00 N ATOM 1086 CA ASP A 69 10.037 7.510 -2.470 1.00 0.00 C ATOM 1087 C ASP A 69 11.369 6.753 -2.515 1.00 0.00 C ATOM 1088 O ASP A 69 11.978 6.616 -3.557 1.00 0.00 O ATOM 1089 CB ASP A 69 10.081 8.730 -3.394 1.00 0.00 C ATOM 1090 CG ASP A 69 9.620 8.328 -4.796 1.00 0.00 C ATOM 1091 OD1 ASP A 69 8.660 7.582 -4.890 1.00 0.00 O ATOM 1092 OD2 ASP A 69 10.236 8.772 -5.750 1.00 0.00 O ATOM 0 H ASP A 69 8.952 7.703 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 69 9.262 6.805 -2.770 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.440 9.519 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.093 9.132 -3.434 1.00 0.00 H new ATOM 1097 N VAL A 70 11.821 6.255 -1.394 1.00 0.00 N ATOM 1098 CA VAL A 70 13.109 5.499 -1.378 1.00 0.00 C ATOM 1099 C VAL A 70 12.829 3.992 -1.440 1.00 0.00 C ATOM 1100 O VAL A 70 11.791 3.544 -0.999 1.00 0.00 O ATOM 1101 CB VAL A 70 13.781 5.873 -0.054 1.00 0.00 C ATOM 1102 CG1 VAL A 70 14.029 7.382 -0.014 1.00 0.00 C ATOM 1103 CG2 VAL A 70 12.878 5.471 1.119 1.00 0.00 C ATOM 0 H VAL A 70 11.355 6.339 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 70 13.744 5.742 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 70 14.732 5.346 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.507 7.647 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.678 7.666 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.079 7.909 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 70 13.361 5.739 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.924 5.993 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.706 4.395 1.094 1.00 0.00 H new ATOM 1113 N PRO A 71 13.764 3.258 -1.991 1.00 0.00 N ATOM 1114 CA PRO A 71 13.601 1.786 -2.111 1.00 0.00 C ATOM 1115 C PRO A 71 13.740 1.115 -0.736 1.00 0.00 C ATOM 1116 O PRO A 71 14.814 1.094 -0.170 1.00 0.00 O ATOM 1117 CB PRO A 71 14.744 1.374 -3.034 1.00 0.00 C ATOM 1118 CG PRO A 71 15.777 2.442 -2.873 1.00 0.00 C ATOM 1119 CD PRO A 71 15.044 3.717 -2.546 1.00 0.00 C ATOM 0 HA PRO A 71 12.623 1.494 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.141 0.397 -2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.409 1.302 -4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.477 2.185 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.360 2.556 -3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.597 4.322 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.897 4.332 -3.434 1.00 0.00 H new ATOM 1127 N PRO A 72 12.648 0.583 -0.242 1.00 0.00 N ATOM 1128 CA PRO A 72 12.665 -0.091 1.075 1.00 0.00 C ATOM 1129 C PRO A 72 13.169 -1.532 0.928 1.00 0.00 C ATOM 1130 O PRO A 72 13.308 -2.028 -0.172 1.00 0.00 O ATOM 1131 CB PRO A 72 11.202 -0.077 1.501 1.00 0.00 C ATOM 1132 CG PRO A 72 10.412 0.000 0.228 1.00 0.00 C ATOM 1133 CD PRO A 72 11.311 0.560 -0.849 1.00 0.00 C ATOM 0 HA PRO A 72 13.322 0.394 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.949 -0.975 2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.990 0.775 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.049 -0.988 -0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 72 9.536 0.635 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.293 -0.062 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.995 1.559 -1.149 1.00 0.00 H new ATOM 1141 N PRO A 73 13.419 -2.163 2.048 1.00 0.00 N ATOM 1142 CA PRO A 73 13.904 -3.565 2.034 1.00 0.00 C ATOM 1143 C PRO A 73 12.760 -4.513 1.662 1.00 0.00 C ATOM 1144 O PRO A 73 11.971 -4.907 2.499 1.00 0.00 O ATOM 1145 CB PRO A 73 14.362 -3.801 3.470 1.00 0.00 C ATOM 1146 CG PRO A 73 13.581 -2.827 4.294 1.00 0.00 C ATOM 1147 CD PRO A 73 13.280 -1.640 3.414 1.00 0.00 C ATOM 0 HA PRO A 73 14.698 -3.741 1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.167 -4.827 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 73 15.434 -3.635 3.574 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.659 -3.282 4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.151 -2.521 5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.276 -1.255 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.974 -0.820 3.600 1.00 0.00 H new ATOM 1155 N GLN A 74 12.662 -4.878 0.411 1.00 0.00 N ATOM 1156 CA GLN A 74 11.566 -5.796 -0.020 1.00 0.00 C ATOM 1157 C GLN A 74 11.996 -7.259 0.151 1.00 0.00 C ATOM 1158 O GLN A 74 12.870 -7.728 -0.551 1.00 0.00 O ATOM 1159 CB GLN A 74 11.345 -5.474 -1.499 1.00 0.00 C ATOM 1160 CG GLN A 74 10.296 -4.367 -1.630 1.00 0.00 C ATOM 1161 CD GLN A 74 10.575 -3.548 -2.891 1.00 0.00 C ATOM 1162 OE1 GLN A 74 11.610 -2.924 -3.009 1.00 0.00 O ATOM 1163 NE2 GLN A 74 9.685 -3.521 -3.846 1.00 0.00 N ATOM 0 H GLN A 74 13.294 -4.580 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 74 10.660 -5.662 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 74 12.282 -5.158 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.016 -6.366 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.297 -4.801 -1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.320 -3.722 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.815 -4.045 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.859 -2.976 -4.690 1.00 0.00 H new ATOM 1172 N PRO A 75 11.365 -7.940 1.077 1.00 0.00 N ATOM 1173 CA PRO A 75 11.697 -9.365 1.324 1.00 0.00 C ATOM 1174 C PRO A 75 11.142 -10.242 0.199 1.00 0.00 C ATOM 1175 O PRO A 75 10.202 -9.877 -0.479 1.00 0.00 O ATOM 1176 CB PRO A 75 11.000 -9.673 2.647 1.00 0.00 C ATOM 1177 CG PRO A 75 9.877 -8.689 2.732 1.00 0.00 C ATOM 1178 CD PRO A 75 10.301 -7.460 1.971 1.00 0.00 C ATOM 0 HA PRO A 75 12.770 -9.556 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.629 -10.698 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.684 -9.564 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.965 -9.109 2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.660 -8.442 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.470 -7.033 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.665 -6.682 2.642 1.00 0.00 H new ATOM 1186 N VAL A 76 11.716 -11.398 -0.002 1.00 0.00 N ATOM 1187 CA VAL A 76 11.220 -12.301 -1.082 1.00 0.00 C ATOM 1188 C VAL A 76 11.398 -13.765 -0.669 1.00 0.00 C ATOM 1189 O VAL A 76 12.502 -14.268 -0.594 1.00 0.00 O ATOM 1190 CB VAL A 76 12.087 -11.975 -2.301 1.00 0.00 C ATOM 1191 CG1 VAL A 76 11.669 -12.859 -3.479 1.00 0.00 C ATOM 1192 CG2 VAL A 76 11.900 -10.504 -2.681 1.00 0.00 C ATOM 0 H VAL A 76 12.506 -11.756 0.534 1.00 0.00 H new ATOM 0 HA VAL A 76 10.159 -12.157 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 76 13.134 -12.161 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.287 -12.626 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.800 -13.908 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.622 -12.674 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.517 -10.271 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.853 -10.320 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.197 -9.872 -1.844 1.00 0.00 H new ATOM 1202 N HIS A 77 10.319 -14.450 -0.402 1.00 0.00 N ATOM 1203 CA HIS A 77 10.422 -15.882 0.006 1.00 0.00 C ATOM 1204 C HIS A 77 9.557 -16.754 -0.911 1.00 0.00 C ATOM 1205 O HIS A 77 8.439 -17.089 -0.573 1.00 0.00 O ATOM 1206 CB HIS A 77 9.899 -15.923 1.445 1.00 0.00 C ATOM 1207 CG HIS A 77 10.872 -16.674 2.314 1.00 0.00 C ATOM 1208 ND1 HIS A 77 11.128 -16.307 3.626 1.00 0.00 N ATOM 1209 CD2 HIS A 77 11.661 -17.772 2.071 1.00 0.00 C ATOM 1210 CE1 HIS A 77 12.035 -17.170 4.119 1.00 0.00 C ATOM 1211 NE2 HIS A 77 12.394 -18.083 3.213 1.00 0.00 N ATOM 0 H HIS A 77 9.370 -14.080 -0.449 1.00 0.00 H new ATOM 0 HA HIS A 77 11.441 -16.262 -0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 77 9.765 -14.909 1.823 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.922 -16.406 1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.706 -18.312 1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.425 -17.129 5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.062 -18.845 3.332 1.00 0.00 H new ATOM 1219 N PRO A 78 10.106 -17.095 -2.050 1.00 0.00 N ATOM 1220 CA PRO A 78 9.369 -17.936 -3.026 1.00 0.00 C ATOM 1221 C PRO A 78 9.291 -19.383 -2.531 1.00 0.00 C ATOM 1222 O PRO A 78 10.283 -19.971 -2.144 1.00 0.00 O ATOM 1223 CB PRO A 78 10.213 -17.839 -4.293 1.00 0.00 C ATOM 1224 CG PRO A 78 11.593 -17.511 -3.817 1.00 0.00 C ATOM 1225 CD PRO A 78 11.446 -16.734 -2.534 1.00 0.00 C ATOM 0 HA PRO A 78 8.340 -17.612 -3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.200 -18.777 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.833 -17.067 -4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.170 -18.421 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.129 -16.924 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.217 -17.005 -1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.533 -15.661 -2.705 1.00 0.00 H new ATOM 1233 N VAL A 79 8.120 -19.960 -2.543 1.00 0.00 N ATOM 1234 CA VAL A 79 7.974 -21.369 -2.074 1.00 0.00 C ATOM 1235 C VAL A 79 6.833 -22.061 -2.827 1.00 0.00 C ATOM 1236 O VAL A 79 5.944 -21.420 -3.349 1.00 0.00 O ATOM 1237 CB VAL A 79 7.653 -21.260 -0.580 1.00 0.00 C ATOM 1238 CG1 VAL A 79 6.352 -20.478 -0.385 1.00 0.00 C ATOM 1239 CG2 VAL A 79 7.497 -22.663 0.012 1.00 0.00 C ATOM 0 H VAL A 79 7.257 -19.517 -2.858 1.00 0.00 H new ATOM 0 HA VAL A 79 8.872 -21.960 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 79 8.466 -20.738 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.128 -20.403 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.463 -19.478 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.537 -20.995 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.269 -22.586 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.686 -23.184 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.425 -23.219 -0.120 1.00 0.00 H new ATOM 1249 N ALA A 80 6.854 -23.366 -2.883 1.00 0.00 N ATOM 1250 CA ALA A 80 5.773 -24.102 -3.601 1.00 0.00 C ATOM 1251 C ALA A 80 5.171 -25.176 -2.691 1.00 0.00 C ATOM 1252 O ALA A 80 5.749 -25.434 -1.648 1.00 0.00 O ATOM 1253 CB ALA A 80 6.462 -24.742 -4.808 1.00 0.00 C ATOM 1254 OXT ALA A 80 4.141 -25.722 -3.054 1.00 0.00 O ATOM 0 H ALA A 80 7.573 -23.954 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 80 4.955 -23.447 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.730 -25.304 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.900 -23.963 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.247 -25.416 -4.464 1.00 0.00 H new TER 1260 ALA A 80