USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 707 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 64 ASN : amide:sc= -2.01! C(o=-7.2!,f=-15!) USER MOD Set 1.2: A 87 GLN :FLIP amide:sc= -5.15! C(o=-11!,f=-7.2!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -6.79! C(o=-7.3!,f=-11!) USER MOD Set 2.2: A 51 TYR OH : rot -22:sc= -0.562! USER MOD Set 3.1: A 48 CYS SG : rot -173:sc= -3.29 USER MOD Set 3.2: A 86 CYS SG : rot 180:sc= 0.325 USER MOD Set 4.1: A 45 CYS SG : rot -35:sc= 1.32 USER MOD Set 4.2: A 47 THR OG1 : rot 81:sc= 0.916 USER MOD Set 5.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 30 ASN : amide:sc= -3.02! C(o=-3!,f=-4.6!) USER MOD Single : A 1 SER N :NH3+ -149:sc= 0.673 (180deg=0.276) USER MOD Single : A 1 SER OG : rot 110:sc= -2.03! USER MOD Single : A 2 LYS NZ :NH3+ 138:sc= -0.0398 (180deg=-1.62!) USER MOD Single : A 5 TYR OH : rot 135:sc= -0.671 USER MOD Single : A 7 SER OG : rot -30:sc= -0.764 USER MOD Single : A 8 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-8.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 24 MET CE :methyl 155:sc= 0 (180deg=-0.279) USER MOD Single : A 25 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.4) USER MOD Single : A 53 ASN : amide:sc= -12.1! C(o=-12!,f=-22!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.669 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -147:sc= -0.294 (180deg=-2.77!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 46:sc= -1.39! USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.347 (180deg=-1.34!) USER MOD Single : A 81 ASN : amide:sc= 0.603 K(o=0.6,f=-2.4!) USER MOD Single : A 82 SER OG : rot 24:sc= -0.0899 USER MOD Single : A 85 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 90 MET CE :methyl -162:sc= -1.51 (180deg=-2.17) USER MOD Single : A 91 THR OG1 : rot -160:sc= -0.482 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.039 F(o=-1.3!,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.949 -8.670 3.544 1.00 0.00 N ATOM 2 CA SER A 1 9.876 -9.477 2.896 1.00 0.00 C ATOM 3 C SER A 1 9.766 -9.071 1.422 1.00 0.00 C ATOM 4 O SER A 1 10.232 -8.023 1.032 1.00 0.00 O ATOM 5 CB SER A 1 8.542 -9.217 3.616 1.00 0.00 C ATOM 6 OG SER A 1 8.807 -8.683 4.901 1.00 0.00 O ATOM 0 H1 SER A 1 11.394 -9.228 4.301 1.00 0.00 H new ATOM 0 H2 SER A 1 11.666 -8.414 2.836 1.00 0.00 H new ATOM 0 H3 SER A 1 10.537 -7.805 3.948 1.00 0.00 H new ATOM 0 HA SER A 1 10.115 -10.539 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.932 -8.523 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.975 -10.144 3.703 1.00 0.00 H new ATOM 0 HG SER A 1 8.538 -7.741 4.926 1.00 0.00 H new ATOM 14 N LYS A 2 9.151 -9.882 0.608 1.00 0.00 N ATOM 15 CA LYS A 2 9.017 -9.527 -0.822 1.00 0.00 C ATOM 16 C LYS A 2 7.757 -8.689 -0.994 1.00 0.00 C ATOM 17 O LYS A 2 6.675 -9.139 -0.716 1.00 0.00 O ATOM 18 CB LYS A 2 8.884 -10.829 -1.634 1.00 0.00 C ATOM 19 CG LYS A 2 10.264 -11.294 -2.138 1.00 0.00 C ATOM 20 CD LYS A 2 10.638 -10.556 -3.438 1.00 0.00 C ATOM 21 CE LYS A 2 10.060 -11.297 -4.650 1.00 0.00 C ATOM 22 NZ LYS A 2 10.010 -10.371 -5.814 1.00 0.00 N ATOM 0 H LYS A 2 8.737 -10.775 0.876 1.00 0.00 H new ATOM 0 HA LYS A 2 9.884 -8.963 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.435 -11.606 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.216 -10.670 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.019 -11.105 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.250 -12.370 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.255 -9.536 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.722 -10.487 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.675 -12.165 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.061 -11.667 -4.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.320 -10.873 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.036 -10.031 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.639 -9.561 -5.640 1.00 0.00 H new ATOM 36 N VAL A 3 7.881 -7.481 -1.455 1.00 0.00 N ATOM 37 CA VAL A 3 6.679 -6.612 -1.645 1.00 0.00 C ATOM 38 C VAL A 3 6.526 -6.342 -3.133 1.00 0.00 C ATOM 39 O VAL A 3 7.409 -5.815 -3.755 1.00 0.00 O ATOM 40 CB VAL A 3 6.912 -5.304 -0.885 1.00 0.00 C ATOM 41 CG1 VAL A 3 5.812 -4.275 -1.182 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.931 -5.598 0.611 1.00 0.00 C ATOM 0 H VAL A 3 8.769 -7.049 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 3 5.774 -7.089 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 3 7.864 -4.884 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.011 -3.359 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.798 -4.055 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.845 -4.679 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.097 -4.672 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.976 -6.032 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.734 -6.301 0.834 1.00 0.00 H new ATOM 52 N VAL A 4 5.407 -6.691 -3.715 1.00 0.00 N ATOM 53 CA VAL A 4 5.203 -6.450 -5.183 1.00 0.00 C ATOM 54 C VAL A 4 4.182 -5.324 -5.399 1.00 0.00 C ATOM 55 O VAL A 4 3.095 -5.344 -4.892 1.00 0.00 O ATOM 56 CB VAL A 4 4.708 -7.755 -5.817 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.027 -7.484 -7.171 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.888 -8.714 -6.031 1.00 0.00 C ATOM 0 H VAL A 4 4.621 -7.134 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 4 6.140 -6.144 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 4 3.982 -8.205 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.684 -8.425 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.175 -6.821 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.739 -7.014 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.528 -9.639 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.620 -8.249 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.355 -8.936 -5.072 1.00 0.00 H new ATOM 68 N TYR A 5 4.538 -4.379 -6.215 1.00 0.00 N ATOM 69 CA TYR A 5 3.621 -3.259 -6.564 1.00 0.00 C ATOM 70 C TYR A 5 3.165 -3.453 -8.001 1.00 0.00 C ATOM 71 O TYR A 5 3.963 -3.396 -8.917 1.00 0.00 O ATOM 72 CB TYR A 5 4.354 -1.920 -6.446 1.00 0.00 C ATOM 73 CG TYR A 5 4.811 -1.696 -5.021 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.032 -2.225 -4.594 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.024 -0.947 -4.139 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.470 -2.004 -3.287 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.462 -0.729 -2.828 1.00 0.00 C ATOM 78 CZ TYR A 5 5.686 -1.253 -2.398 1.00 0.00 C ATOM 79 OH TYR A 5 6.118 -1.026 -1.108 1.00 0.00 O ATOM 0 H TYR A 5 5.451 -4.333 -6.668 1.00 0.00 H new ATOM 0 HA TYR A 5 2.769 -3.253 -5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.213 -1.907 -7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.696 -1.109 -6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.637 -2.805 -5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.081 -0.538 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.415 -2.412 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.853 -0.154 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 5 5.986 -0.082 -0.880 1.00 0.00 H new ATOM 89 N VAL A 6 1.891 -3.638 -8.226 1.00 0.00 N ATOM 90 CA VAL A 6 1.391 -3.784 -9.630 1.00 0.00 C ATOM 91 C VAL A 6 0.842 -2.422 -10.027 1.00 0.00 C ATOM 92 O VAL A 6 -0.148 -1.958 -9.507 1.00 0.00 O ATOM 93 CB VAL A 6 0.302 -4.856 -9.716 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.041 -5.138 -11.181 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.811 -6.141 -9.050 1.00 0.00 C ATOM 0 H VAL A 6 1.175 -3.695 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 6 2.190 -4.100 -10.301 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.594 -4.504 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.817 -5.902 -11.233 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.400 -4.224 -11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.850 -5.489 -11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.041 -6.910 -9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.708 -6.487 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.047 -5.940 -8.005 1.00 0.00 H new ATOM 105 N SER A 7 1.517 -1.764 -10.912 1.00 0.00 N ATOM 106 CA SER A 7 1.096 -0.405 -11.311 1.00 0.00 C ATOM 107 C SER A 7 -0.155 -0.443 -12.180 1.00 0.00 C ATOM 108 O SER A 7 -0.703 -1.485 -12.478 1.00 0.00 O ATOM 109 CB SER A 7 2.228 0.268 -12.077 1.00 0.00 C ATOM 110 OG SER A 7 2.278 -0.261 -13.400 1.00 0.00 O ATOM 0 H SER A 7 2.352 -2.113 -11.382 1.00 0.00 H new ATOM 0 HA SER A 7 0.863 0.160 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.071 1.346 -12.109 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.178 0.099 -11.569 1.00 0.00 H new ATOM 0 HG SER A 7 1.963 -1.189 -13.393 1.00 0.00 H new ATOM 116 N HIS A 8 -0.587 0.711 -12.579 1.00 0.00 N ATOM 117 CA HIS A 8 -1.795 0.818 -13.440 1.00 0.00 C ATOM 118 C HIS A 8 -1.381 0.466 -14.861 1.00 0.00 C ATOM 119 O HIS A 8 -2.053 -0.275 -15.553 1.00 0.00 O ATOM 120 CB HIS A 8 -2.378 2.259 -13.367 1.00 0.00 C ATOM 121 CG HIS A 8 -1.382 3.205 -12.742 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.767 2.940 -11.527 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.892 4.420 -13.156 1.00 0.00 C ATOM 124 CE1 HIS A 8 0.050 3.975 -11.252 1.00 0.00 C ATOM 125 NE2 HIS A 8 0.008 4.901 -12.212 1.00 0.00 N ATOM 0 H HIS A 8 -0.150 1.602 -12.343 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.574 0.135 -13.102 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.636 2.604 -14.368 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.299 2.255 -12.784 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.164 4.923 -14.072 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.663 4.047 -10.365 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.528 5.778 -12.246 1.00 0.00 H new ATOM 134 N ASP A 9 -0.276 0.991 -15.308 1.00 0.00 N ATOM 135 CA ASP A 9 0.188 0.690 -16.682 1.00 0.00 C ATOM 136 C ASP A 9 0.521 -0.807 -16.793 1.00 0.00 C ATOM 137 O ASP A 9 0.824 -1.298 -17.868 1.00 0.00 O ATOM 138 CB ASP A 9 1.431 1.533 -17.001 1.00 0.00 C ATOM 139 CG ASP A 9 2.277 1.701 -15.737 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.746 2.189 -14.753 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.441 1.342 -15.778 1.00 0.00 O ATOM 0 H ASP A 9 0.326 1.618 -14.775 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.598 0.934 -17.396 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.019 1.051 -17.782 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.132 2.509 -17.383 1.00 0.00 H new ATOM 146 N GLY A 10 0.453 -1.541 -15.710 1.00 0.00 N ATOM 147 CA GLY A 10 0.745 -3.013 -15.765 1.00 0.00 C ATOM 148 C GLY A 10 2.199 -3.303 -15.357 1.00 0.00 C ATOM 149 O GLY A 10 2.563 -4.436 -15.116 1.00 0.00 O ATOM 0 H GLY A 10 0.207 -1.186 -14.786 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.064 -3.547 -15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.566 -3.385 -16.774 1.00 0.00 H new ATOM 153 N THR A 11 3.034 -2.304 -15.298 1.00 0.00 N ATOM 154 CA THR A 11 4.456 -2.549 -14.924 1.00 0.00 C ATOM 155 C THR A 11 4.532 -3.037 -13.457 1.00 0.00 C ATOM 156 O THR A 11 3.936 -2.467 -12.565 1.00 0.00 O ATOM 157 CB THR A 11 5.284 -1.263 -15.149 1.00 0.00 C ATOM 158 OG1 THR A 11 6.531 -1.614 -15.733 1.00 0.00 O ATOM 159 CG2 THR A 11 5.547 -0.502 -13.847 1.00 0.00 C ATOM 0 H THR A 11 2.795 -1.331 -15.492 1.00 0.00 H new ATOM 0 HA THR A 11 4.879 -3.330 -15.556 1.00 0.00 H new ATOM 0 HB THR A 11 4.708 -0.611 -15.805 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.062 -0.804 -15.881 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.132 0.393 -14.060 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.597 -0.215 -13.395 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.099 -1.141 -13.157 1.00 0.00 H new ATOM 167 N ARG A 12 5.260 -4.099 -13.231 1.00 0.00 N ATOM 168 CA ARG A 12 5.390 -4.667 -11.844 1.00 0.00 C ATOM 169 C ARG A 12 6.790 -4.385 -11.271 1.00 0.00 C ATOM 170 O ARG A 12 7.784 -4.528 -11.951 1.00 0.00 O ATOM 171 CB ARG A 12 5.190 -6.192 -11.885 1.00 0.00 C ATOM 172 CG ARG A 12 4.010 -6.550 -12.799 1.00 0.00 C ATOM 173 CD ARG A 12 3.796 -8.084 -12.835 1.00 0.00 C ATOM 174 NE ARG A 12 2.553 -8.396 -12.055 1.00 0.00 N ATOM 175 CZ ARG A 12 1.585 -9.121 -12.557 1.00 0.00 C ATOM 176 NH1 ARG A 12 1.758 -9.798 -13.667 1.00 0.00 N ATOM 177 NH2 ARG A 12 0.451 -9.207 -11.919 1.00 0.00 N ATOM 0 H ARG A 12 5.777 -4.606 -13.950 1.00 0.00 H new ATOM 0 HA ARG A 12 4.633 -4.197 -11.215 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.098 -6.675 -12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.007 -6.569 -10.879 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.104 -6.059 -12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.198 -6.180 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.698 -8.431 -13.864 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.655 -8.599 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 12 2.459 -8.033 -11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.655 -9.764 -14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.995 -10.359 -14.047 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.324 -8.712 -11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.309 -9.769 -12.303 1.00 0.00 H new ATOM 191 N ARG A 13 6.877 -4.021 -10.006 1.00 0.00 N ATOM 192 CA ARG A 13 8.210 -3.770 -9.371 1.00 0.00 C ATOM 193 C ARG A 13 8.178 -4.397 -7.977 1.00 0.00 C ATOM 194 O ARG A 13 7.199 -4.282 -7.271 1.00 0.00 O ATOM 195 CB ARG A 13 8.486 -2.267 -9.233 1.00 0.00 C ATOM 196 CG ARG A 13 9.987 -2.060 -8.980 1.00 0.00 C ATOM 197 CD ARG A 13 10.289 -0.590 -8.652 1.00 0.00 C ATOM 198 NE ARG A 13 10.553 0.160 -9.916 1.00 0.00 N ATOM 199 CZ ARG A 13 9.590 0.804 -10.531 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.375 0.825 -10.033 1.00 0.00 N ATOM 201 NH2 ARG A 13 9.850 1.444 -11.637 1.00 0.00 N ATOM 0 H ARG A 13 6.076 -3.888 -9.388 1.00 0.00 H new ATOM 0 HA ARG A 13 8.995 -4.202 -9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.180 -1.743 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.904 -1.850 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.312 -2.695 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.554 -2.365 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.447 -0.145 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.153 -0.524 -7.991 1.00 0.00 H new ATOM 0 HE ARG A 13 11.495 0.172 -10.307 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.173 0.338 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.633 1.329 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.796 1.441 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.107 1.947 -12.122 1.00 0.00 H new ATOM 215 N GLU A 14 9.216 -5.095 -7.607 1.00 0.00 N ATOM 216 CA GLU A 14 9.238 -5.787 -6.274 1.00 0.00 C ATOM 217 C GLU A 14 10.336 -5.208 -5.356 1.00 0.00 C ATOM 218 O GLU A 14 11.448 -4.964 -5.779 1.00 0.00 O ATOM 219 CB GLU A 14 9.504 -7.284 -6.513 1.00 0.00 C ATOM 220 CG GLU A 14 8.930 -7.699 -7.882 1.00 0.00 C ATOM 221 CD GLU A 14 9.919 -7.339 -8.999 1.00 0.00 C ATOM 222 OE1 GLU A 14 11.084 -7.674 -8.863 1.00 0.00 O ATOM 223 OE2 GLU A 14 9.492 -6.735 -9.965 1.00 0.00 O ATOM 0 H GLU A 14 10.058 -5.220 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 14 8.278 -5.636 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.575 -7.483 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.046 -7.876 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.732 -8.771 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.978 -7.197 -8.053 1.00 0.00 H new ATOM 230 N LEU A 15 10.019 -4.986 -4.092 1.00 0.00 N ATOM 231 CA LEU A 15 11.022 -4.422 -3.124 1.00 0.00 C ATOM 232 C LEU A 15 11.230 -5.333 -1.933 1.00 0.00 C ATOM 233 O LEU A 15 10.462 -6.228 -1.660 1.00 0.00 O ATOM 234 CB LEU A 15 10.481 -3.142 -2.470 1.00 0.00 C ATOM 235 CG LEU A 15 10.118 -2.126 -3.520 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.527 -0.860 -2.840 1.00 0.00 C ATOM 237 CD2 LEU A 15 11.365 -1.774 -4.364 1.00 0.00 C ATOM 0 H LEU A 15 9.100 -5.174 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 15 11.930 -4.274 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.605 -3.378 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.230 -2.726 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 15 9.363 -2.542 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.265 -0.126 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.634 -1.133 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.266 -0.432 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.096 -1.038 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.138 -1.361 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.742 -2.674 -4.850 1.00 0.00 H new ATOM 249 N ASP A 16 12.222 -5.002 -1.173 1.00 0.00 N ATOM 250 CA ASP A 16 12.481 -5.705 0.088 1.00 0.00 C ATOM 251 C ASP A 16 12.085 -4.695 1.166 1.00 0.00 C ATOM 252 O ASP A 16 12.792 -3.739 1.410 1.00 0.00 O ATOM 253 CB ASP A 16 13.969 -6.059 0.207 1.00 0.00 C ATOM 254 CG ASP A 16 14.160 -7.102 1.311 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.267 -7.913 1.500 1.00 0.00 O ATOM 256 OD2 ASP A 16 15.197 -7.073 1.950 1.00 0.00 O ATOM 0 H ASP A 16 12.880 -4.251 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 16 11.930 -6.642 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.338 -6.447 -0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.549 -5.164 0.433 1.00 0.00 H new ATOM 261 N VAL A 17 10.987 -4.913 1.840 1.00 0.00 N ATOM 262 CA VAL A 17 10.554 -3.986 2.944 1.00 0.00 C ATOM 263 C VAL A 17 10.788 -4.727 4.258 1.00 0.00 C ATOM 264 O VAL A 17 10.286 -5.813 4.469 1.00 0.00 O ATOM 265 CB VAL A 17 9.065 -3.630 2.718 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.608 -2.495 3.649 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.916 -3.179 1.264 1.00 0.00 C ATOM 0 H VAL A 17 10.360 -5.701 1.676 1.00 0.00 H new ATOM 0 HA VAL A 17 11.113 -3.051 2.964 1.00 0.00 H new ATOM 0 HB VAL A 17 8.448 -4.502 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.558 -2.272 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.735 -2.803 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.207 -1.605 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.876 -2.919 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.547 -2.308 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.219 -3.988 0.599 1.00 0.00 H new ATOM 277 N ALA A 18 11.597 -4.169 5.124 1.00 0.00 N ATOM 278 CA ALA A 18 11.925 -4.865 6.398 1.00 0.00 C ATOM 279 C ALA A 18 10.704 -4.938 7.318 1.00 0.00 C ATOM 280 O ALA A 18 9.724 -4.239 7.147 1.00 0.00 O ATOM 281 CB ALA A 18 13.084 -4.129 7.102 1.00 0.00 C ATOM 0 H ALA A 18 12.043 -3.260 5.000 1.00 0.00 H new ATOM 0 HA ALA A 18 12.229 -5.886 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.325 -4.638 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.960 -4.126 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.787 -3.102 7.315 1.00 0.00 H new ATOM 287 N ASP A 19 10.776 -5.797 8.294 1.00 0.00 N ATOM 288 CA ASP A 19 9.657 -5.961 9.247 1.00 0.00 C ATOM 289 C ASP A 19 9.386 -4.645 9.953 1.00 0.00 C ATOM 290 O ASP A 19 10.283 -3.930 10.360 1.00 0.00 O ATOM 291 CB ASP A 19 10.012 -7.030 10.280 1.00 0.00 C ATOM 292 CG ASP A 19 11.416 -6.775 10.828 1.00 0.00 C ATOM 293 OD1 ASP A 19 11.563 -5.858 11.615 1.00 0.00 O ATOM 294 OD2 ASP A 19 12.319 -7.503 10.445 1.00 0.00 O ATOM 0 H ASP A 19 11.579 -6.401 8.471 1.00 0.00 H new ATOM 0 HA ASP A 19 8.765 -6.267 8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.287 -7.018 11.093 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.964 -8.019 9.825 1.00 0.00 H new ATOM 299 N GLY A 20 8.141 -4.344 10.122 1.00 0.00 N ATOM 300 CA GLY A 20 7.762 -3.089 10.821 1.00 0.00 C ATOM 301 C GLY A 20 7.896 -1.882 9.898 1.00 0.00 C ATOM 302 O GLY A 20 7.594 -0.773 10.296 1.00 0.00 O ATOM 0 H GLY A 20 7.358 -4.915 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.735 -3.165 11.179 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.395 -2.952 11.697 1.00 0.00 H new ATOM 306 N VAL A 21 8.340 -2.051 8.674 1.00 0.00 N ATOM 307 CA VAL A 21 8.473 -0.870 7.769 1.00 0.00 C ATOM 308 C VAL A 21 7.171 -0.702 6.999 1.00 0.00 C ATOM 309 O VAL A 21 6.495 -1.666 6.693 1.00 0.00 O ATOM 310 CB VAL A 21 9.593 -1.117 6.759 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.747 0.088 5.837 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.918 -1.390 7.457 1.00 0.00 C ATOM 0 H VAL A 21 8.613 -2.946 8.268 1.00 0.00 H new ATOM 0 HA VAL A 21 8.696 0.018 8.361 1.00 0.00 H new ATOM 0 HB VAL A 21 9.322 -1.995 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.548 -0.101 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.814 0.257 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.989 0.970 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.694 -1.562 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.189 -0.532 8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.821 -2.273 8.089 1.00 0.00 H new ATOM 322 N SER A 22 6.810 0.505 6.653 1.00 0.00 N ATOM 323 CA SER A 22 5.550 0.708 5.888 1.00 0.00 C ATOM 324 C SER A 22 5.877 0.693 4.390 1.00 0.00 C ATOM 325 O SER A 22 6.890 1.212 3.968 1.00 0.00 O ATOM 326 CB SER A 22 4.931 2.055 6.258 1.00 0.00 C ATOM 327 OG SER A 22 5.942 3.052 6.264 1.00 0.00 O ATOM 0 H SER A 22 7.332 1.355 6.867 1.00 0.00 H new ATOM 0 HA SER A 22 4.843 -0.086 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.150 2.317 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.459 1.994 7.239 1.00 0.00 H new ATOM 0 HG SER A 22 5.547 3.917 6.499 1.00 0.00 H new ATOM 333 N LEU A 23 5.027 0.113 3.591 1.00 0.00 N ATOM 334 CA LEU A 23 5.292 0.077 2.128 1.00 0.00 C ATOM 335 C LEU A 23 5.561 1.498 1.636 1.00 0.00 C ATOM 336 O LEU A 23 6.173 1.707 0.601 1.00 0.00 O ATOM 337 CB LEU A 23 4.065 -0.479 1.402 1.00 0.00 C ATOM 338 CG LEU A 23 3.624 -1.808 2.035 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.593 -2.475 1.122 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.828 -2.745 2.202 1.00 0.00 C ATOM 0 H LEU A 23 4.161 -0.337 3.888 1.00 0.00 H new ATOM 0 HA LEU A 23 6.155 -0.558 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.249 0.242 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.296 -0.630 0.348 1.00 0.00 H new ATOM 0 HG LEU A 23 3.191 -1.610 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.274 -3.419 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.731 -1.818 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.039 -2.663 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.500 -3.682 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.271 -2.946 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.569 -2.273 2.847 1.00 0.00 H new ATOM 352 N MET A 24 5.108 2.474 2.368 1.00 0.00 N ATOM 353 CA MET A 24 5.332 3.886 1.954 1.00 0.00 C ATOM 354 C MET A 24 6.779 4.269 2.276 1.00 0.00 C ATOM 355 O MET A 24 7.372 5.103 1.620 1.00 0.00 O ATOM 356 CB MET A 24 4.353 4.779 2.729 1.00 0.00 C ATOM 357 CG MET A 24 4.848 6.235 2.791 1.00 0.00 C ATOM 358 SD MET A 24 5.941 6.439 4.223 1.00 0.00 S ATOM 359 CE MET A 24 6.856 7.886 3.632 1.00 0.00 C ATOM 0 H MET A 24 4.590 2.355 3.239 1.00 0.00 H new ATOM 0 HA MET A 24 5.163 4.012 0.885 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.373 4.746 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.228 4.392 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.380 6.489 1.874 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.000 6.916 2.867 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.249 8.441 4.484 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.681 7.561 2.999 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.189 8.528 3.057 1.00 0.00 H new ATOM 369 N GLN A 25 7.349 3.668 3.280 1.00 0.00 N ATOM 370 CA GLN A 25 8.752 4.001 3.633 1.00 0.00 C ATOM 371 C GLN A 25 9.698 3.412 2.583 1.00 0.00 C ATOM 372 O GLN A 25 10.524 4.109 2.025 1.00 0.00 O ATOM 373 CB GLN A 25 9.064 3.433 5.030 1.00 0.00 C ATOM 374 CG GLN A 25 10.582 3.306 5.252 1.00 0.00 C ATOM 375 CD GLN A 25 11.287 4.587 4.795 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.844 5.678 5.089 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.375 4.498 4.079 1.00 0.00 N ATOM 0 H GLN A 25 6.905 2.963 3.869 1.00 0.00 H new ATOM 0 HA GLN A 25 8.890 5.082 3.651 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.635 4.082 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.594 2.456 5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.790 3.123 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.969 2.451 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.749 3.582 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.851 5.345 3.768 1.00 0.00 H new ATOM 386 N ALA A 26 9.603 2.138 2.298 1.00 0.00 N ATOM 387 CA ALA A 26 10.525 1.539 1.284 1.00 0.00 C ATOM 388 C ALA A 26 10.249 2.076 -0.132 1.00 0.00 C ATOM 389 O ALA A 26 11.147 2.140 -0.948 1.00 0.00 O ATOM 390 CB ALA A 26 10.349 0.022 1.292 1.00 0.00 C ATOM 0 H ALA A 26 8.935 1.492 2.718 1.00 0.00 H new ATOM 0 HA ALA A 26 11.546 1.813 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.017 -0.426 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.587 -0.367 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.317 -0.226 1.044 1.00 0.00 H new ATOM 396 N ALA A 27 9.043 2.463 -0.447 1.00 0.00 N ATOM 397 CA ALA A 27 8.777 2.979 -1.813 1.00 0.00 C ATOM 398 C ALA A 27 9.505 4.313 -2.039 1.00 0.00 C ATOM 399 O ALA A 27 10.160 4.510 -3.042 1.00 0.00 O ATOM 400 CB ALA A 27 7.274 3.181 -1.994 1.00 0.00 C ATOM 0 H ALA A 27 8.238 2.443 0.179 1.00 0.00 H new ATOM 0 HA ALA A 27 9.144 2.254 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.076 3.560 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.760 2.230 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.912 3.898 -1.257 1.00 0.00 H new ATOM 406 N VAL A 28 9.390 5.236 -1.118 1.00 0.00 N ATOM 407 CA VAL A 28 10.065 6.561 -1.290 1.00 0.00 C ATOM 408 C VAL A 28 11.572 6.363 -1.492 1.00 0.00 C ATOM 409 O VAL A 28 12.258 7.228 -1.993 1.00 0.00 O ATOM 410 CB VAL A 28 9.833 7.421 -0.039 1.00 0.00 C ATOM 411 CG1 VAL A 28 10.731 8.664 -0.077 1.00 0.00 C ATOM 412 CG2 VAL A 28 8.370 7.860 0.014 1.00 0.00 C ATOM 0 H VAL A 28 8.858 5.131 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 28 9.647 7.059 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 28 10.075 6.831 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.557 9.266 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.776 8.357 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.498 9.254 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.205 8.470 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.132 8.443 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.727 6.980 0.054 1.00 0.00 H new ATOM 422 N SER A 29 12.095 5.252 -1.061 1.00 0.00 N ATOM 423 CA SER A 29 13.565 5.005 -1.190 1.00 0.00 C ATOM 424 C SER A 29 13.862 4.294 -2.508 1.00 0.00 C ATOM 425 O SER A 29 14.974 4.317 -2.993 1.00 0.00 O ATOM 426 CB SER A 29 13.992 4.114 -0.022 1.00 0.00 C ATOM 427 OG SER A 29 14.594 2.916 -0.507 1.00 0.00 O ATOM 0 H SER A 29 11.568 4.497 -0.622 1.00 0.00 H new ATOM 0 HA SER A 29 14.109 5.949 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.695 4.650 0.615 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.126 3.870 0.594 1.00 0.00 H new ATOM 0 HG SER A 29 14.864 2.356 0.250 1.00 0.00 H new ATOM 433 N ASN A 30 12.872 3.674 -3.084 1.00 0.00 N ATOM 434 CA ASN A 30 13.077 2.970 -4.369 1.00 0.00 C ATOM 435 C ASN A 30 12.501 3.824 -5.499 1.00 0.00 C ATOM 436 O ASN A 30 12.415 3.387 -6.631 1.00 0.00 O ATOM 437 CB ASN A 30 12.357 1.625 -4.323 1.00 0.00 C ATOM 438 CG ASN A 30 13.220 0.613 -3.563 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.858 -0.230 -4.158 1.00 0.00 O ATOM 440 ND2 ASN A 30 13.266 0.669 -2.264 1.00 0.00 N ATOM 0 H ASN A 30 11.923 3.627 -2.713 1.00 0.00 H new ATOM 0 HA ASN A 30 14.141 2.805 -4.541 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.389 1.734 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.164 1.268 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.839 0.004 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.729 1.378 -1.765 1.00 0.00 H new ATOM 447 N GLY A 31 12.174 5.060 -5.225 1.00 0.00 N ATOM 448 CA GLY A 31 11.685 5.947 -6.333 1.00 0.00 C ATOM 449 C GLY A 31 10.296 5.520 -6.821 1.00 0.00 C ATOM 450 O GLY A 31 10.005 5.615 -8.004 1.00 0.00 O ATOM 0 H GLY A 31 12.221 5.491 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.648 6.979 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.390 5.915 -7.164 1.00 0.00 H new ATOM 454 N ILE A 32 9.450 5.021 -5.963 1.00 0.00 N ATOM 455 CA ILE A 32 8.093 4.550 -6.416 1.00 0.00 C ATOM 456 C ILE A 32 6.980 5.390 -5.808 1.00 0.00 C ATOM 457 O ILE A 32 5.939 5.575 -6.403 1.00 0.00 O ATOM 458 CB ILE A 32 7.905 3.098 -5.973 1.00 0.00 C ATOM 459 CG1 ILE A 32 9.108 2.260 -6.409 1.00 0.00 C ATOM 460 CG2 ILE A 32 6.639 2.516 -6.601 1.00 0.00 C ATOM 461 CD1 ILE A 32 9.109 0.967 -5.620 1.00 0.00 C ATOM 0 H ILE A 32 9.632 4.915 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 32 8.042 4.642 -7.501 1.00 0.00 H new ATOM 0 HB ILE A 32 7.816 3.075 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.056 2.051 -7.477 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.034 2.809 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.515 1.482 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.775 3.100 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.723 2.550 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.962 0.358 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.179 1.190 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.186 0.421 -5.816 1.00 0.00 H new ATOM 616 N CYS A 45 -4.093 10.961 5.471 1.00 0.00 N ATOM 617 CA CYS A 45 -4.620 11.432 4.151 1.00 0.00 C ATOM 618 C CYS A 45 -5.188 10.234 3.386 1.00 0.00 C ATOM 619 O CYS A 45 -5.355 9.162 3.935 1.00 0.00 O ATOM 620 CB CYS A 45 -3.496 12.099 3.340 1.00 0.00 C ATOM 621 SG CYS A 45 -2.486 10.853 2.488 1.00 0.00 S ATOM 0 HA CYS A 45 -5.408 12.167 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.926 12.785 2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.866 12.692 4.003 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.390 9.790 3.231 1.00 0.00 H new ATOM 626 N ALA A 46 -5.492 10.410 2.126 1.00 0.00 N ATOM 627 CA ALA A 46 -6.057 9.287 1.314 1.00 0.00 C ATOM 628 C ALA A 46 -5.387 9.278 -0.054 1.00 0.00 C ATOM 629 O ALA A 46 -5.985 8.913 -1.046 1.00 0.00 O ATOM 630 CB ALA A 46 -7.572 9.494 1.162 1.00 0.00 C ATOM 0 H ALA A 46 -5.373 11.288 1.620 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.874 8.332 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.993 8.680 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.038 9.506 2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.761 10.443 0.659 1.00 0.00 H new ATOM 636 N THR A 47 -4.145 9.682 -0.118 1.00 0.00 N ATOM 637 CA THR A 47 -3.427 9.706 -1.426 1.00 0.00 C ATOM 638 C THR A 47 -2.768 8.341 -1.672 1.00 0.00 C ATOM 639 O THR A 47 -2.479 7.966 -2.786 1.00 0.00 O ATOM 640 CB THR A 47 -2.359 10.814 -1.391 1.00 0.00 C ATOM 641 OG1 THR A 47 -2.834 11.889 -0.591 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.077 11.325 -2.808 1.00 0.00 C ATOM 0 H THR A 47 -3.596 9.997 0.682 1.00 0.00 H new ATOM 0 HA THR A 47 -4.129 9.909 -2.235 1.00 0.00 H new ATOM 0 HB THR A 47 -1.438 10.410 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.688 11.682 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.320 12.108 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.717 10.503 -3.426 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.994 11.728 -3.239 1.00 0.00 H new ATOM 650 N CYS A 48 -2.532 7.599 -0.617 1.00 0.00 N ATOM 651 CA CYS A 48 -1.896 6.256 -0.767 1.00 0.00 C ATOM 652 C CYS A 48 -2.971 5.195 -1.037 1.00 0.00 C ATOM 653 O CYS A 48 -2.902 4.086 -0.549 1.00 0.00 O ATOM 654 CB CYS A 48 -1.131 5.908 0.507 1.00 0.00 C ATOM 655 SG CYS A 48 -2.201 6.174 1.939 1.00 0.00 S ATOM 0 H CYS A 48 -2.753 7.867 0.342 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.203 6.278 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.800 4.870 0.474 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.236 6.525 0.588 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.512 6.019 3.030 1.00 0.00 H new ATOM 660 N HIS A 49 -3.970 5.541 -1.806 1.00 0.00 N ATOM 661 CA HIS A 49 -5.071 4.575 -2.131 1.00 0.00 C ATOM 662 C HIS A 49 -4.533 3.447 -3.027 1.00 0.00 C ATOM 663 O HIS A 49 -4.152 3.679 -4.153 1.00 0.00 O ATOM 664 CB HIS A 49 -6.174 5.344 -2.881 1.00 0.00 C ATOM 665 CG HIS A 49 -7.027 4.422 -3.726 1.00 0.00 C ATOM 666 ND1 HIS A 49 -8.156 3.750 -3.254 1.00 0.00 N ATOM 667 CD2 HIS A 49 -6.923 4.083 -5.037 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.675 3.054 -4.294 1.00 0.00 C ATOM 669 NE2 HIS A 49 -7.957 3.228 -5.399 1.00 0.00 N ATOM 0 H HIS A 49 -4.074 6.463 -2.230 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.465 4.135 -1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.806 5.867 -2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.719 6.103 -3.517 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.147 4.429 -5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.559 2.437 -4.233 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.129 2.820 -6.318 1.00 0.00 H new ATOM 678 N VAL A 50 -4.548 2.221 -2.559 1.00 0.00 N ATOM 679 CA VAL A 50 -4.086 1.090 -3.420 1.00 0.00 C ATOM 680 C VAL A 50 -4.920 -0.141 -3.074 1.00 0.00 C ATOM 681 O VAL A 50 -5.716 -0.125 -2.159 1.00 0.00 O ATOM 682 CB VAL A 50 -2.583 0.796 -3.212 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.820 2.105 -2.998 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.372 -0.123 -1.996 1.00 0.00 C ATOM 0 H VAL A 50 -4.858 1.958 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.217 1.358 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.206 0.294 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.762 1.889 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.943 2.745 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.211 2.614 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.307 -0.317 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.763 0.362 -1.101 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.896 -1.065 -2.157 1.00 0.00 H new ATOM 694 N TYR A 51 -4.748 -1.201 -3.810 1.00 0.00 N ATOM 695 CA TYR A 51 -5.522 -2.443 -3.563 1.00 0.00 C ATOM 696 C TYR A 51 -4.551 -3.570 -3.147 1.00 0.00 C ATOM 697 O TYR A 51 -3.713 -4.012 -3.906 1.00 0.00 O ATOM 698 CB TYR A 51 -6.250 -2.788 -4.849 1.00 0.00 C ATOM 699 CG TYR A 51 -7.208 -1.661 -5.228 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.380 -1.410 -4.474 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.916 -0.848 -6.329 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.232 -0.361 -4.845 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.775 0.184 -6.688 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.923 0.430 -5.955 1.00 0.00 C ATOM 705 OH TYR A 51 -9.752 1.459 -6.336 1.00 0.00 O ATOM 0 H TYR A 51 -4.090 -1.258 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.246 -2.313 -2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.530 -2.949 -5.651 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.803 -3.719 -4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.616 -2.024 -3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.018 -1.023 -6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.127 -0.164 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.545 0.799 -7.546 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.651 1.305 -5.977 1.00 0.00 H new ATOM 715 N VAL A 52 -4.691 -4.026 -1.930 1.00 0.00 N ATOM 716 CA VAL A 52 -3.821 -5.128 -1.401 1.00 0.00 C ATOM 717 C VAL A 52 -4.482 -6.474 -1.715 1.00 0.00 C ATOM 718 O VAL A 52 -5.638 -6.683 -1.404 1.00 0.00 O ATOM 719 CB VAL A 52 -3.644 -5.010 0.119 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.487 -5.903 0.565 1.00 0.00 C ATOM 721 CG2 VAL A 52 -3.339 -3.559 0.518 1.00 0.00 C ATOM 0 H VAL A 52 -5.382 -3.678 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.842 -5.055 -1.874 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.570 -5.323 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.359 -5.821 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.705 -6.938 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.571 -5.587 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.217 -3.497 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.421 -3.233 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.163 -2.916 0.208 1.00 0.00 H new ATOM 731 N ASN A 53 -3.771 -7.396 -2.315 1.00 0.00 N ATOM 732 CA ASN A 53 -4.403 -8.711 -2.605 1.00 0.00 C ATOM 733 C ASN A 53 -5.070 -9.237 -1.330 1.00 0.00 C ATOM 734 O ASN A 53 -4.446 -9.361 -0.300 1.00 0.00 O ATOM 735 CB ASN A 53 -3.365 -9.714 -3.109 1.00 0.00 C ATOM 736 CG ASN A 53 -2.075 -9.593 -2.316 1.00 0.00 C ATOM 737 OD1 ASN A 53 -1.881 -8.646 -1.582 1.00 0.00 O ATOM 738 ND2 ASN A 53 -1.181 -10.533 -2.417 1.00 0.00 N ATOM 0 H ASN A 53 -2.800 -7.296 -2.610 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.152 -8.582 -3.386 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.758 -10.727 -3.022 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.166 -9.539 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.316 -10.474 -1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.345 -11.328 -3.034 1.00 0.00 H new ATOM 745 N GLU A 54 -6.343 -9.495 -1.399 1.00 0.00 N ATOM 746 CA GLU A 54 -7.101 -9.969 -0.199 1.00 0.00 C ATOM 747 C GLU A 54 -6.397 -11.144 0.499 1.00 0.00 C ATOM 748 O GLU A 54 -6.898 -11.668 1.469 1.00 0.00 O ATOM 749 CB GLU A 54 -8.499 -10.416 -0.634 1.00 0.00 C ATOM 750 CG GLU A 54 -8.380 -11.434 -1.770 1.00 0.00 C ATOM 751 CD GLU A 54 -9.751 -12.049 -2.056 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.665 -11.299 -2.354 1.00 0.00 O ATOM 753 OE2 GLU A 54 -9.866 -13.260 -1.962 1.00 0.00 O ATOM 0 H GLU A 54 -6.903 -9.398 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.158 -9.142 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.030 -10.857 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.082 -9.555 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.994 -10.949 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.670 -12.215 -1.499 1.00 0.00 H new ATOM 760 N ALA A 55 -5.261 -11.578 0.018 1.00 0.00 N ATOM 761 CA ALA A 55 -4.572 -12.732 0.674 1.00 0.00 C ATOM 762 C ALA A 55 -3.637 -12.261 1.798 1.00 0.00 C ATOM 763 O ALA A 55 -3.217 -13.052 2.617 1.00 0.00 O ATOM 764 CB ALA A 55 -3.752 -13.487 -0.367 1.00 0.00 C ATOM 0 H ALA A 55 -4.783 -11.188 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.334 -13.380 1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.248 -14.329 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.412 -13.855 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.009 -12.817 -0.801 1.00 0.00 H new ATOM 770 N PHE A 56 -3.288 -10.999 1.849 1.00 0.00 N ATOM 771 CA PHE A 56 -2.368 -10.488 2.913 1.00 0.00 C ATOM 772 C PHE A 56 -3.144 -9.486 3.775 1.00 0.00 C ATOM 773 O PHE A 56 -2.685 -9.028 4.800 1.00 0.00 O ATOM 774 CB PHE A 56 -1.223 -9.789 2.189 1.00 0.00 C ATOM 775 CG PHE A 56 -0.370 -10.842 1.526 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.767 -11.397 0.305 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.801 -11.276 2.137 1.00 0.00 C ATOM 778 CE1 PHE A 56 0.016 -12.389 -0.285 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.585 -12.263 1.552 1.00 0.00 C ATOM 780 CZ PHE A 56 1.193 -12.826 0.326 1.00 0.00 C ATOM 0 H PHE A 56 -3.607 -10.290 1.188 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.987 -11.282 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.612 -9.092 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.628 -9.206 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.673 -11.060 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.105 -10.841 3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.291 -12.824 -1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.491 -12.595 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.797 -13.590 -0.140 1.00 0.00 H new ATOM 790 N THR A 57 -4.326 -9.151 3.340 1.00 0.00 N ATOM 791 CA THR A 57 -5.178 -8.175 4.084 1.00 0.00 C ATOM 792 C THR A 57 -5.643 -8.782 5.406 1.00 0.00 C ATOM 793 O THR A 57 -5.717 -8.110 6.420 1.00 0.00 O ATOM 794 CB THR A 57 -6.418 -7.842 3.249 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.014 -9.047 2.798 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.025 -6.977 2.058 1.00 0.00 C ATOM 0 H THR A 57 -4.747 -9.517 2.486 1.00 0.00 H new ATOM 0 HA THR A 57 -4.592 -7.276 4.275 1.00 0.00 H new ATOM 0 HB THR A 57 -7.132 -7.291 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.947 -8.878 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.912 -6.744 1.469 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.573 -6.051 2.414 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.309 -7.516 1.438 1.00 0.00 H new ATOM 804 N ASP A 58 -5.967 -10.047 5.409 1.00 0.00 N ATOM 805 CA ASP A 58 -6.437 -10.696 6.671 1.00 0.00 C ATOM 806 C ASP A 58 -5.231 -11.210 7.436 1.00 0.00 C ATOM 807 O ASP A 58 -5.338 -11.725 8.532 1.00 0.00 O ATOM 808 CB ASP A 58 -7.366 -11.864 6.326 1.00 0.00 C ATOM 809 CG ASP A 58 -6.585 -12.925 5.556 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.927 -12.565 4.590 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.659 -14.082 5.935 1.00 0.00 O ATOM 0 H ASP A 58 -5.927 -10.660 4.595 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.980 -9.975 7.282 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.782 -12.293 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.206 -11.510 5.728 1.00 0.00 H new ATOM 816 N LYS A 59 -4.078 -11.061 6.859 1.00 0.00 N ATOM 817 CA LYS A 59 -2.833 -11.524 7.518 1.00 0.00 C ATOM 818 C LYS A 59 -2.174 -10.311 8.184 1.00 0.00 C ATOM 819 O LYS A 59 -1.801 -10.340 9.340 1.00 0.00 O ATOM 820 CB LYS A 59 -1.902 -12.118 6.454 1.00 0.00 C ATOM 821 CG LYS A 59 -2.709 -12.924 5.424 1.00 0.00 C ATOM 822 CD LYS A 59 -3.430 -14.097 6.100 1.00 0.00 C ATOM 823 CE LYS A 59 -2.424 -15.005 6.826 1.00 0.00 C ATOM 824 NZ LYS A 59 -2.966 -16.392 6.893 1.00 0.00 N ATOM 0 H LYS A 59 -3.943 -10.631 5.944 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.043 -12.287 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.356 -11.319 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.161 -12.761 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.437 -12.275 4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.044 -13.299 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.165 -13.718 6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.976 -14.674 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.469 -15.001 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.236 -14.627 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.286 -17.007 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.867 -16.388 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.124 -16.750 5.929 1.00 0.00 H new ATOM 838 N VAL A 60 -2.043 -9.240 7.452 1.00 0.00 N ATOM 839 CA VAL A 60 -1.420 -8.014 8.027 1.00 0.00 C ATOM 840 C VAL A 60 -2.443 -7.418 9.021 1.00 0.00 C ATOM 841 O VAL A 60 -3.626 -7.672 8.924 1.00 0.00 O ATOM 842 CB VAL A 60 -1.034 -7.054 6.842 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.764 -5.695 6.903 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.515 -6.834 6.756 1.00 0.00 C ATOM 0 H VAL A 60 -2.340 -9.160 6.480 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.498 -8.206 8.575 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.366 -7.559 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.455 -5.078 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.841 -5.858 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.512 -5.188 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.742 -6.166 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.872 -6.391 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.010 -7.792 6.597 1.00 0.00 H new ATOM 854 N PRO A 61 -1.989 -6.688 10.012 1.00 0.00 N ATOM 855 CA PRO A 61 -2.882 -6.118 11.071 1.00 0.00 C ATOM 856 C PRO A 61 -4.055 -5.276 10.531 1.00 0.00 C ATOM 857 O PRO A 61 -3.877 -4.303 9.821 1.00 0.00 O ATOM 858 CB PRO A 61 -1.946 -5.276 11.970 1.00 0.00 C ATOM 859 CG PRO A 61 -0.611 -5.214 11.269 1.00 0.00 C ATOM 860 CD PRO A 61 -0.582 -6.329 10.213 1.00 0.00 C ATOM 0 HA PRO A 61 -3.381 -6.923 11.611 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.351 -4.275 12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.845 -5.730 12.956 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.471 -4.240 10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.202 -5.344 11.984 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.125 -5.984 9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.000 -7.184 10.556 1.00 0.00 H new ATOM 868 N ALA A 62 -5.257 -5.667 10.883 1.00 0.00 N ATOM 869 CA ALA A 62 -6.477 -4.952 10.446 1.00 0.00 C ATOM 870 C ALA A 62 -6.267 -3.451 10.534 1.00 0.00 C ATOM 871 O ALA A 62 -5.787 -2.915 11.510 1.00 0.00 O ATOM 872 CB ALA A 62 -7.651 -5.354 11.344 1.00 0.00 C ATOM 0 H ALA A 62 -5.438 -6.479 11.474 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.693 -5.220 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.551 -4.828 11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.814 -6.429 11.271 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.425 -5.091 12.377 1.00 0.00 H new ATOM 878 N ALA A 63 -6.621 -2.797 9.491 1.00 0.00 N ATOM 879 CA ALA A 63 -6.464 -1.317 9.410 1.00 0.00 C ATOM 880 C ALA A 63 -7.203 -0.619 10.561 1.00 0.00 C ATOM 881 O ALA A 63 -8.119 -1.154 11.159 1.00 0.00 O ATOM 882 CB ALA A 63 -7.028 -0.823 8.078 1.00 0.00 C ATOM 0 H ALA A 63 -7.026 -3.225 8.659 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.403 -1.078 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.915 0.259 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.487 -1.293 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.085 -1.082 8.012 1.00 0.00 H new ATOM 888 N ASN A 64 -6.788 0.583 10.880 1.00 0.00 N ATOM 889 CA ASN A 64 -7.432 1.351 11.991 1.00 0.00 C ATOM 890 C ASN A 64 -8.653 2.116 11.468 1.00 0.00 C ATOM 891 O ASN A 64 -8.722 2.494 10.315 1.00 0.00 O ATOM 892 CB ASN A 64 -6.420 2.336 12.602 1.00 0.00 C ATOM 893 CG ASN A 64 -5.376 2.726 11.554 1.00 0.00 C ATOM 894 OD1 ASN A 64 -5.634 2.662 10.370 1.00 0.00 O ATOM 895 ND2 ASN A 64 -4.198 3.130 11.947 1.00 0.00 N ATOM 0 H ASN A 64 -6.023 1.069 10.413 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.758 0.650 12.760 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.937 3.226 12.962 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.931 1.881 13.463 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.493 3.392 11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.983 3.183 12.943 1.00 0.00 H new ATOM 902 N GLU A 65 -9.612 2.337 12.322 1.00 0.00 N ATOM 903 CA GLU A 65 -10.853 3.070 11.922 1.00 0.00 C ATOM 904 C GLU A 65 -10.505 4.441 11.355 1.00 0.00 C ATOM 905 O GLU A 65 -11.310 5.057 10.681 1.00 0.00 O ATOM 906 CB GLU A 65 -11.755 3.243 13.146 1.00 0.00 C ATOM 907 CG GLU A 65 -11.064 4.150 14.165 1.00 0.00 C ATOM 908 CD GLU A 65 -11.799 4.063 15.506 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.506 3.152 16.261 1.00 0.00 O ATOM 910 OE2 GLU A 65 -12.643 4.910 15.749 1.00 0.00 O ATOM 0 H GLU A 65 -9.591 2.037 13.297 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.370 2.493 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.711 3.674 12.849 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.969 2.272 13.593 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.023 3.850 14.288 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.059 5.180 13.807 1.00 0.00 H new ATOM 917 N ARG A 66 -9.318 4.924 11.583 1.00 0.00 N ATOM 918 CA ARG A 66 -8.952 6.241 11.020 1.00 0.00 C ATOM 919 C ARG A 66 -8.723 6.054 9.522 1.00 0.00 C ATOM 920 O ARG A 66 -9.014 6.917 8.724 1.00 0.00 O ATOM 921 CB ARG A 66 -7.676 6.742 11.685 1.00 0.00 C ATOM 922 CG ARG A 66 -7.944 6.969 13.183 1.00 0.00 C ATOM 923 CD ARG A 66 -6.748 7.672 13.857 1.00 0.00 C ATOM 924 NE ARG A 66 -5.971 6.652 14.628 1.00 0.00 N ATOM 925 CZ ARG A 66 -5.283 6.997 15.678 1.00 0.00 C ATOM 926 NH1 ARG A 66 -5.188 8.252 16.017 1.00 0.00 N ATOM 927 NH2 ARG A 66 -4.678 6.079 16.382 1.00 0.00 N ATOM 0 H ARG A 66 -8.592 4.464 12.132 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.742 6.972 11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.873 6.017 11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.348 7.670 11.217 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.843 7.572 13.308 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.131 6.013 13.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.114 8.144 13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.098 8.463 14.521 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.980 5.677 14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.654 8.968 15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.648 8.518 16.840 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.746 5.099 16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.137 6.342 17.206 1.00 0.00 H new ATOM 941 N GLU A 67 -8.218 4.913 9.146 1.00 0.00 N ATOM 942 CA GLU A 67 -7.977 4.626 7.710 1.00 0.00 C ATOM 943 C GLU A 67 -9.325 4.579 6.977 1.00 0.00 C ATOM 944 O GLU A 67 -9.462 5.039 5.868 1.00 0.00 O ATOM 945 CB GLU A 67 -7.283 3.262 7.590 1.00 0.00 C ATOM 946 CG GLU A 67 -6.862 3.011 6.135 1.00 0.00 C ATOM 947 CD GLU A 67 -6.726 1.508 5.875 1.00 0.00 C ATOM 948 OE1 GLU A 67 -7.736 0.825 5.921 1.00 0.00 O ATOM 949 OE2 GLU A 67 -5.618 1.068 5.623 1.00 0.00 O ATOM 0 H GLU A 67 -7.960 4.159 9.783 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.349 5.401 7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.409 3.232 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.956 2.472 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.600 3.439 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.914 3.510 5.932 1.00 0.00 H new ATOM 956 N ILE A 68 -10.314 4.004 7.608 1.00 0.00 N ATOM 957 CA ILE A 68 -11.659 3.887 6.961 1.00 0.00 C ATOM 958 C ILE A 68 -12.219 5.276 6.619 1.00 0.00 C ATOM 959 O ILE A 68 -12.886 5.444 5.617 1.00 0.00 O ATOM 960 CB ILE A 68 -12.609 3.162 7.937 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.346 1.647 7.910 1.00 0.00 C ATOM 962 CG2 ILE A 68 -14.075 3.415 7.550 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.849 1.358 8.055 1.00 0.00 C ATOM 0 H ILE A 68 -10.251 3.608 8.546 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.569 3.322 6.033 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.424 3.551 8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.895 1.162 8.717 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.715 1.225 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.731 2.896 8.249 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -14.281 4.485 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.254 3.044 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.683 0.281 8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.307 1.825 7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.491 1.762 9.002 1.00 0.00 H new ATOM 975 N GLY A 69 -11.999 6.260 7.443 1.00 0.00 N ATOM 976 CA GLY A 69 -12.574 7.612 7.141 1.00 0.00 C ATOM 977 C GLY A 69 -11.820 8.313 6.008 1.00 0.00 C ATOM 978 O GLY A 69 -12.415 8.985 5.187 1.00 0.00 O ATOM 0 H GLY A 69 -11.454 6.196 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.624 7.507 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.538 8.230 8.038 1.00 0.00 H new ATOM 982 N MET A 70 -10.533 8.135 5.916 1.00 0.00 N ATOM 983 CA MET A 70 -9.774 8.763 4.786 1.00 0.00 C ATOM 984 C MET A 70 -9.912 7.861 3.562 1.00 0.00 C ATOM 985 O MET A 70 -9.941 8.312 2.433 1.00 0.00 O ATOM 986 CB MET A 70 -8.295 8.918 5.154 1.00 0.00 C ATOM 987 CG MET A 70 -7.754 7.590 5.680 1.00 0.00 C ATOM 988 SD MET A 70 -6.046 7.807 6.239 1.00 0.00 S ATOM 989 CE MET A 70 -6.415 8.179 7.969 1.00 0.00 C ATOM 0 H MET A 70 -9.971 7.586 6.567 1.00 0.00 H new ATOM 0 HA MET A 70 -10.176 9.754 4.576 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.724 9.234 4.281 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.178 9.695 5.910 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.374 7.234 6.503 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.797 6.833 4.897 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.676 8.880 8.356 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.408 8.622 8.042 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.384 7.260 8.554 1.00 0.00 H new ATOM 999 N LEU A 71 -9.996 6.581 3.800 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.127 5.608 2.677 1.00 0.00 C ATOM 1001 C LEU A 71 -11.521 5.765 2.058 1.00 0.00 C ATOM 1002 O LEU A 71 -11.692 5.697 0.868 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.916 4.192 3.258 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.955 3.059 2.189 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -11.386 2.541 2.014 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.401 3.527 0.829 1.00 0.00 C ATOM 0 H LEU A 71 -9.979 6.164 4.731 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.388 5.783 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.955 4.160 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.685 3.999 4.006 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.316 2.253 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.397 1.750 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.749 2.147 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.031 3.357 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.448 2.705 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.998 4.362 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.365 3.846 0.948 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.523 6.023 2.841 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.874 6.216 2.254 1.00 0.00 C ATOM 1020 C GLU A 72 -13.875 7.552 1.507 1.00 0.00 C ATOM 1021 O GLU A 72 -14.872 7.983 0.961 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.912 6.241 3.385 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.274 6.709 2.851 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.393 6.219 3.774 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.197 6.251 4.977 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -18.426 5.819 3.262 1.00 0.00 O ATOM 0 H GLU A 72 -12.468 6.109 3.856 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.122 5.406 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.007 5.247 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.577 6.908 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.295 7.797 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.430 6.327 1.842 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.745 8.214 1.513 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.622 9.555 0.853 1.00 0.00 C ATOM 1035 C CYS A 73 -11.629 9.517 -0.323 1.00 0.00 C ATOM 1036 O CYS A 73 -11.126 10.546 -0.731 1.00 0.00 O ATOM 1037 CB CYS A 73 -12.135 10.558 1.925 1.00 0.00 C ATOM 1038 SG CYS A 73 -13.521 11.585 2.495 1.00 0.00 S ATOM 0 H CYS A 73 -11.888 7.879 1.953 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.588 9.853 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.701 10.020 2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -11.349 11.191 1.512 1.00 0.00 H new ATOM 0 HG CYS A 73 -13.099 12.421 3.396 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.330 8.370 -0.883 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.361 8.348 -2.025 1.00 0.00 C ATOM 1046 C VAL A 74 -11.049 8.787 -3.322 1.00 0.00 C ATOM 1047 O VAL A 74 -12.245 8.994 -3.368 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.779 6.945 -2.192 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -8.973 6.623 -0.940 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -10.900 5.915 -2.349 1.00 0.00 C ATOM 0 H VAL A 74 -11.706 7.463 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.553 9.046 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.151 6.909 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.544 5.625 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.172 7.353 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.626 6.660 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.467 4.921 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.536 5.931 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.496 6.158 -3.228 1.00 0.00 H new ATOM 1060 N THR A 75 -10.290 8.964 -4.379 1.00 0.00 N ATOM 1061 CA THR A 75 -10.882 9.432 -5.670 1.00 0.00 C ATOM 1062 C THR A 75 -11.152 8.264 -6.635 1.00 0.00 C ATOM 1063 O THR A 75 -11.874 8.427 -7.600 1.00 0.00 O ATOM 1064 CB THR A 75 -9.910 10.418 -6.335 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.375 11.287 -5.346 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.650 11.241 -7.395 1.00 0.00 C ATOM 0 H THR A 75 -9.283 8.803 -4.401 1.00 0.00 H new ATOM 0 HA THR A 75 -11.835 9.912 -5.450 1.00 0.00 H new ATOM 0 HB THR A 75 -9.102 9.864 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.101 10.764 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.956 11.939 -7.864 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.061 10.574 -8.153 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.461 11.797 -6.924 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.595 7.092 -6.409 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.851 5.950 -7.354 1.00 0.00 C ATOM 1076 C ALA A 76 -11.966 5.064 -6.794 1.00 0.00 C ATOM 1077 O ALA A 76 -12.478 5.299 -5.718 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.569 5.118 -7.507 1.00 0.00 C ATOM 0 H ALA A 76 -9.982 6.878 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.151 6.343 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.752 4.290 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.772 5.747 -7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.271 4.726 -6.534 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.355 4.053 -7.527 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.446 3.151 -7.062 1.00 0.00 C ATOM 1086 C GLU A 77 -12.987 2.347 -5.848 1.00 0.00 C ATOM 1087 O GLU A 77 -11.950 1.727 -5.849 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.807 2.212 -8.252 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.731 0.715 -7.883 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.191 -0.129 -9.069 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.389 -0.303 -9.221 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -13.336 -0.592 -9.812 1.00 0.00 O ATOM 0 H GLU A 77 -11.959 3.813 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.321 3.723 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.814 2.445 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.130 2.411 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.710 0.449 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.358 0.512 -7.014 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.752 2.345 -4.806 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.348 1.567 -3.616 1.00 0.00 C ATOM 1101 C LEU A 78 -13.520 0.084 -3.885 1.00 0.00 C ATOM 1102 O LEU A 78 -14.140 -0.330 -4.845 1.00 0.00 O ATOM 1103 CB LEU A 78 -14.215 1.979 -2.406 1.00 0.00 C ATOM 1104 CG LEU A 78 -13.350 2.021 -1.132 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -12.603 3.367 -1.041 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -14.247 1.820 0.097 1.00 0.00 C ATOM 0 H LEU A 78 -14.637 2.846 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.300 1.771 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.663 2.957 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.034 1.272 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.610 1.222 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.995 3.385 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.960 3.486 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.325 4.183 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.638 1.849 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.993 2.614 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.748 0.854 0.028 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.957 -0.712 -3.034 1.00 0.00 N ATOM 1119 CA LYS A 79 -13.040 -2.180 -3.182 1.00 0.00 C ATOM 1120 C LYS A 79 -13.366 -2.761 -1.808 1.00 0.00 C ATOM 1121 O LYS A 79 -13.052 -2.161 -0.799 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.664 -2.668 -3.643 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.519 -2.568 -5.172 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.284 -3.704 -5.865 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.837 -3.800 -7.332 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.364 -4.024 -7.392 1.00 0.00 N ATOM 0 H LYS A 79 -12.429 -0.398 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.802 -2.482 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.886 -2.075 -3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.518 -3.701 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.897 -1.605 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.465 -2.613 -5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.097 -4.648 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.357 -3.520 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.360 -4.617 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.098 -2.884 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.125 -4.527 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.872 -3.108 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.066 -4.593 -6.574 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.974 -3.910 -1.738 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.302 -4.529 -0.430 1.00 0.00 C ATOM 1142 C PRO A 80 -13.038 -4.622 0.417 1.00 0.00 C ATOM 1143 O PRO A 80 -13.074 -4.485 1.627 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.860 -5.926 -0.789 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.540 -6.134 -2.246 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.407 -4.743 -2.866 1.00 0.00 C ATOM 0 HA PRO A 80 -15.023 -3.957 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.402 -6.700 -0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.935 -5.975 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.616 -6.700 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.328 -6.704 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.679 -4.732 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.353 -4.396 -3.282 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.921 -4.860 -0.215 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.623 -4.975 0.510 1.00 0.00 C ATOM 1156 C ASN A 81 -9.711 -3.788 0.171 1.00 0.00 C ATOM 1157 O ASN A 81 -8.505 -3.925 0.137 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.927 -6.271 0.095 1.00 0.00 C ATOM 1159 CG ASN A 81 -9.648 -6.241 -1.408 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -10.563 -6.247 -2.208 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -8.413 -6.207 -1.826 1.00 0.00 N ATOM 0 H ASN A 81 -11.852 -4.982 -1.225 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.819 -4.978 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.994 -6.388 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.553 -7.128 0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.213 -6.185 -2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.647 -6.202 -1.153 1.00 0.00 H new ATOM 1168 N SER A 82 -10.253 -2.618 -0.054 1.00 0.00 N ATOM 1169 CA SER A 82 -9.392 -1.446 -0.359 1.00 0.00 C ATOM 1170 C SER A 82 -8.646 -1.036 0.915 1.00 0.00 C ATOM 1171 O SER A 82 -9.179 -1.105 2.001 1.00 0.00 O ATOM 1172 CB SER A 82 -10.275 -0.296 -0.851 1.00 0.00 C ATOM 1173 OG SER A 82 -9.869 0.061 -2.150 1.00 0.00 O ATOM 0 H SER A 82 -11.255 -2.428 -0.039 1.00 0.00 H new ATOM 0 HA SER A 82 -8.667 -1.695 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.322 -0.598 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.190 0.559 -0.180 1.00 0.00 H new ATOM 0 HG SER A 82 -9.418 -0.700 -2.572 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.425 -0.611 0.777 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.632 -0.200 1.981 1.00 0.00 C ATOM 1181 C ARG A 83 -5.558 0.799 1.562 1.00 0.00 C ATOM 1182 O ARG A 83 -5.268 0.959 0.395 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.932 -1.423 2.601 1.00 0.00 C ATOM 1184 CG ARG A 83 -6.942 -2.308 3.345 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.210 -3.468 4.058 1.00 0.00 C ATOM 1186 NE ARG A 83 -5.975 -3.116 5.488 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.637 -4.049 6.332 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -5.453 -5.271 5.912 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -5.465 -3.764 7.585 1.00 0.00 N ATOM 0 H ARG A 83 -6.935 -0.528 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.311 0.246 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.441 -2.002 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.154 -1.093 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.491 -1.712 4.074 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.674 -2.707 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.804 -4.380 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.260 -3.669 3.563 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.078 -2.151 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.574 -5.494 4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.188 -6.003 6.572 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.594 -2.807 7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.200 -4.497 8.243 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.950 1.461 2.511 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.876 2.436 2.170 1.00 0.00 C ATOM 1205 C LEU A 84 -2.537 1.694 2.137 1.00 0.00 C ATOM 1206 O LEU A 84 -2.456 0.538 2.510 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.861 3.554 3.224 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.871 4.639 2.813 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -6.251 4.007 2.649 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -4.919 5.742 3.881 1.00 0.00 C ATOM 0 H LEU A 84 -5.151 1.368 3.507 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.055 2.886 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.118 3.152 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.862 3.981 3.307 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.563 5.083 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.970 4.773 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.209 3.237 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.561 3.559 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.636 6.506 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.223 5.312 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.931 6.192 3.984 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.493 2.332 1.665 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.160 1.650 1.572 1.00 0.00 C ATOM 1224 C CYS A 85 0.815 2.166 2.643 1.00 0.00 C ATOM 1225 O CYS A 85 1.951 1.743 2.687 1.00 0.00 O ATOM 1226 CB CYS A 85 0.419 1.916 0.166 1.00 0.00 C ATOM 1227 SG CYS A 85 1.363 0.474 -0.392 1.00 0.00 S ATOM 0 H CYS A 85 -1.505 3.298 1.339 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.294 0.582 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.388 2.127 -0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.061 2.796 0.188 1.00 0.00 H new ATOM 0 HG CYS A 85 1.846 0.704 -1.577 1.00 0.00 H new ATOM 1233 N CYS A 86 0.400 3.077 3.498 1.00 0.00 N ATOM 1234 CA CYS A 86 1.343 3.605 4.545 1.00 0.00 C ATOM 1235 C CYS A 86 0.976 3.069 5.940 1.00 0.00 C ATOM 1236 O CYS A 86 1.829 2.930 6.789 1.00 0.00 O ATOM 1237 CB CYS A 86 1.319 5.141 4.545 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.282 5.749 5.129 1.00 0.00 S ATOM 0 H CYS A 86 -0.539 3.474 3.517 1.00 0.00 H new ATOM 0 HA CYS A 86 2.349 3.262 4.304 1.00 0.00 H new ATOM 0 HB2 CYS A 86 2.115 5.523 5.184 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.511 5.514 3.539 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.281 7.049 5.123 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.267 2.744 6.179 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.643 2.200 7.523 1.00 0.00 C ATOM 1245 C GLN A 87 -0.500 0.671 7.496 1.00 0.00 C ATOM 1246 O GLN A 87 -1.035 -0.038 8.322 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.087 2.603 7.863 1.00 0.00 C ATOM 1248 CG GLN A 87 -3.097 1.939 6.887 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.955 0.907 7.626 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -4.769 1.310 8.568 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -3.884 -0.275 7.351 1.00 0.00 N flip ATOM 0 H GLN A 87 -1.033 2.829 5.511 1.00 0.00 H new ATOM 0 HA GLN A 87 0.015 2.609 8.290 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.319 2.309 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.187 3.687 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.737 2.701 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.560 1.457 6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.250 -0.591 6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.458 -0.951 7.854 1.00 0.00 H new ATOM 1260 N ILE A 88 0.232 0.179 6.523 1.00 0.00 N ATOM 1261 CA ILE A 88 0.453 -1.304 6.382 1.00 0.00 C ATOM 1262 C ILE A 88 1.920 -1.648 6.694 1.00 0.00 C ATOM 1263 O ILE A 88 2.828 -1.087 6.132 1.00 0.00 O ATOM 1264 CB ILE A 88 0.089 -1.750 4.955 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.399 -1.427 4.672 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.350 -3.253 4.807 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.337 -2.491 5.268 1.00 0.00 C ATOM 0 H ILE A 88 0.692 0.746 5.811 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.186 -1.832 7.089 1.00 0.00 H new ATOM 0 HB ILE A 88 0.705 -1.213 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.645 -0.451 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.559 -1.363 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.092 -3.569 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.404 -3.459 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.260 -3.801 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.372 -2.228 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.109 -3.463 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.196 -2.536 6.348 1.00 0.00 H new ATOM 1279 N ILE A 89 2.140 -2.557 7.623 1.00 0.00 N ATOM 1280 CA ILE A 89 3.536 -2.950 8.033 1.00 0.00 C ATOM 1281 C ILE A 89 3.927 -4.288 7.390 1.00 0.00 C ATOM 1282 O ILE A 89 3.261 -5.290 7.564 1.00 0.00 O ATOM 1283 CB ILE A 89 3.567 -3.088 9.588 1.00 0.00 C ATOM 1284 CG1 ILE A 89 4.040 -1.774 10.232 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.502 -4.230 10.038 1.00 0.00 C ATOM 1286 CD1 ILE A 89 3.147 -0.614 9.769 1.00 0.00 C ATOM 0 H ILE A 89 1.400 -3.051 8.122 1.00 0.00 H new ATOM 0 HA ILE A 89 4.244 -2.190 7.702 1.00 0.00 H new ATOM 0 HB ILE A 89 2.552 -3.318 9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.007 -1.859 11.318 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.077 -1.578 9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.498 -4.296 11.126 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.154 -5.173 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.515 -4.029 9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.488 0.314 10.229 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.202 -0.523 8.684 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.116 -0.808 10.065 1.00 0.00 H new ATOM 1298 N MET A 90 5.000 -4.310 6.645 1.00 0.00 N ATOM 1299 CA MET A 90 5.407 -5.585 6.002 1.00 0.00 C ATOM 1300 C MET A 90 6.099 -6.501 7.015 1.00 0.00 C ATOM 1301 O MET A 90 6.576 -6.072 8.043 1.00 0.00 O ATOM 1302 CB MET A 90 6.336 -5.321 4.809 1.00 0.00 C ATOM 1303 CG MET A 90 6.222 -6.490 3.828 1.00 0.00 C ATOM 1304 SD MET A 90 4.564 -6.488 3.079 1.00 0.00 S ATOM 1305 CE MET A 90 3.915 -8.046 3.765 1.00 0.00 C ATOM 0 H MET A 90 5.603 -3.509 6.458 1.00 0.00 H new ATOM 0 HA MET A 90 4.508 -6.082 5.637 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.063 -4.387 4.317 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.366 -5.213 5.149 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.984 -6.405 3.053 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.398 -7.433 4.346 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.055 -8.371 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.690 -8.811 3.726 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.611 -7.889 4.800 1.00 0.00 H new ATOM 1315 N THR A 91 6.146 -7.767 6.701 1.00 0.00 N ATOM 1316 CA THR A 91 6.799 -8.772 7.590 1.00 0.00 C ATOM 1317 C THR A 91 7.281 -9.925 6.698 1.00 0.00 C ATOM 1318 O THR A 91 6.711 -10.174 5.653 1.00 0.00 O ATOM 1319 CB THR A 91 5.783 -9.301 8.610 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.517 -9.434 7.988 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.666 -8.338 9.785 1.00 0.00 C ATOM 0 H THR A 91 5.750 -8.156 5.845 1.00 0.00 H new ATOM 0 HA THR A 91 7.632 -8.324 8.132 1.00 0.00 H new ATOM 0 HB THR A 91 6.121 -10.271 8.976 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.817 -9.459 8.673 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.942 -8.725 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.637 -8.236 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.335 -7.364 9.425 1.00 0.00 H new ATOM 1329 N PRO A 92 8.323 -10.617 7.088 1.00 0.00 N ATOM 1330 CA PRO A 92 8.875 -11.741 6.276 1.00 0.00 C ATOM 1331 C PRO A 92 7.839 -12.846 6.014 1.00 0.00 C ATOM 1332 O PRO A 92 7.724 -13.351 4.913 1.00 0.00 O ATOM 1333 CB PRO A 92 10.057 -12.264 7.120 1.00 0.00 C ATOM 1334 CG PRO A 92 9.828 -11.736 8.499 1.00 0.00 C ATOM 1335 CD PRO A 92 9.088 -10.416 8.323 1.00 0.00 C ATOM 0 HA PRO A 92 9.176 -11.412 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.089 -13.354 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.009 -11.916 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.241 -12.437 9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.773 -11.588 9.022 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.435 -10.205 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.778 -9.577 8.236 1.00 0.00 H new ATOM 1343 N GLU A 93 7.090 -13.227 7.010 1.00 0.00 N ATOM 1344 CA GLU A 93 6.077 -14.301 6.795 1.00 0.00 C ATOM 1345 C GLU A 93 5.084 -13.836 5.721 1.00 0.00 C ATOM 1346 O GLU A 93 4.542 -14.623 4.976 1.00 0.00 O ATOM 1347 CB GLU A 93 5.342 -14.598 8.110 1.00 0.00 C ATOM 1348 CG GLU A 93 5.211 -13.312 8.936 1.00 0.00 C ATOM 1349 CD GLU A 93 4.142 -13.502 10.009 1.00 0.00 C ATOM 1350 OE1 GLU A 93 4.121 -14.561 10.620 1.00 0.00 O ATOM 1351 OE2 GLU A 93 3.363 -12.585 10.216 1.00 0.00 O ATOM 0 H GLU A 93 7.133 -12.847 7.955 1.00 0.00 H new ATOM 0 HA GLU A 93 6.569 -15.215 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.354 -15.008 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.886 -15.352 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.166 -13.066 9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.946 -12.476 8.288 1.00 0.00 H new ATOM 1358 N LEU A 94 4.833 -12.558 5.672 1.00 0.00 N ATOM 1359 CA LEU A 94 3.861 -12.010 4.676 1.00 0.00 C ATOM 1360 C LEU A 94 4.592 -11.680 3.371 1.00 0.00 C ATOM 1361 O LEU A 94 4.078 -11.003 2.503 1.00 0.00 O ATOM 1362 CB LEU A 94 3.192 -10.759 5.292 1.00 0.00 C ATOM 1363 CG LEU A 94 2.370 -11.127 6.564 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.301 -10.061 6.825 1.00 0.00 C ATOM 1365 CD2 LEU A 94 1.666 -12.485 6.440 1.00 0.00 C ATOM 0 H LEU A 94 5.261 -11.862 6.282 1.00 0.00 H new ATOM 0 HA LEU A 94 3.088 -12.742 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.955 -10.025 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.537 -10.294 4.555 1.00 0.00 H new ATOM 0 HG LEU A 94 3.083 -11.180 7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.732 -10.327 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.781 -9.094 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.629 -10.003 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.109 -12.691 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.980 -12.463 5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.409 -13.267 6.285 1.00 0.00 H new ATOM 1377 N ASP A 95 5.791 -12.169 3.231 1.00 0.00 N ATOM 1378 CA ASP A 95 6.567 -11.919 1.982 1.00 0.00 C ATOM 1379 C ASP A 95 5.797 -12.457 0.763 1.00 0.00 C ATOM 1380 O ASP A 95 5.235 -13.534 0.788 1.00 0.00 O ATOM 1381 CB ASP A 95 7.913 -12.646 2.079 1.00 0.00 C ATOM 1382 CG ASP A 95 7.668 -14.142 2.278 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.661 -14.484 2.880 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.494 -14.922 1.830 1.00 0.00 O ATOM 0 H ASP A 95 6.271 -12.735 3.931 1.00 0.00 H new ATOM 0 HA ASP A 95 6.721 -10.846 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.495 -12.479 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.495 -12.248 2.910 1.00 0.00 H new ATOM 1389 N GLY A 96 5.804 -11.711 -0.307 1.00 0.00 N ATOM 1390 CA GLY A 96 5.115 -12.143 -1.576 1.00 0.00 C ATOM 1391 C GLY A 96 3.854 -11.308 -1.774 1.00 0.00 C ATOM 1392 O GLY A 96 3.126 -11.459 -2.733 1.00 0.00 O ATOM 0 H GLY A 96 6.264 -10.802 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.784 -12.019 -2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.860 -13.201 -1.523 1.00 0.00 H new ATOM 1396 N ILE A 97 3.581 -10.462 -0.833 1.00 0.00 N ATOM 1397 CA ILE A 97 2.348 -9.611 -0.876 1.00 0.00 C ATOM 1398 C ILE A 97 2.213 -8.884 -2.220 1.00 0.00 C ATOM 1399 O ILE A 97 3.139 -8.262 -2.700 1.00 0.00 O ATOM 1400 CB ILE A 97 2.454 -8.601 0.296 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.610 -7.318 0.059 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.934 -8.194 0.473 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.117 -7.627 -0.022 1.00 0.00 C ATOM 0 H ILE A 97 4.168 -10.313 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 97 1.457 -10.230 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 97 2.065 -9.093 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.791 -6.610 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.932 -6.837 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.020 -7.483 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.531 -9.079 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.297 -7.732 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.437 -6.703 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.068 -8.315 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.211 -8.084 0.912 1.00 0.00 H new ATOM 1415 N VAL A 98 1.050 -8.958 -2.823 1.00 0.00 N ATOM 1416 CA VAL A 98 0.822 -8.274 -4.135 1.00 0.00 C ATOM 1417 C VAL A 98 -0.022 -7.010 -3.920 1.00 0.00 C ATOM 1418 O VAL A 98 -1.172 -7.080 -3.536 1.00 0.00 O ATOM 1419 CB VAL A 98 0.075 -9.229 -5.072 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.171 -8.721 -6.512 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.701 -10.625 -4.984 1.00 0.00 C ATOM 0 H VAL A 98 0.244 -9.466 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 98 1.780 -7.996 -4.574 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.973 -9.277 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.362 -9.403 -7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.275 -7.729 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.218 -8.669 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.170 -11.305 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.749 -10.573 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.630 -10.992 -3.960 1.00 0.00 H new ATOM 1431 N VAL A 99 0.547 -5.855 -4.156 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.190 -4.568 -3.964 1.00 0.00 C ATOM 1433 C VAL A 99 -0.609 -4.017 -5.323 1.00 0.00 C ATOM 1434 O VAL A 99 0.201 -3.865 -6.214 1.00 0.00 O ATOM 1435 CB VAL A 99 0.746 -3.530 -3.313 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.082 -2.457 -2.602 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.686 -4.192 -2.305 1.00 0.00 C ATOM 0 H VAL A 99 1.508 -5.748 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.060 -4.751 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 99 1.345 -3.075 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.585 -1.727 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.727 -1.957 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.695 -2.922 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.334 -3.436 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.100 -4.672 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.295 -4.940 -2.812 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.858 -3.720 -5.483 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.354 -3.180 -6.787 1.00 0.00 C ATOM 1449 C ASP A 100 -2.567 -1.663 -6.665 1.00 0.00 C ATOM 1450 O ASP A 100 -3.351 -1.185 -5.876 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.661 -3.910 -7.150 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.385 -5.027 -8.172 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.322 -5.619 -8.095 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -4.244 -5.269 -8.997 1.00 0.00 O ATOM 0 H ASP A 100 -2.573 -3.826 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.627 -3.349 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.110 -4.333 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.379 -3.201 -7.562 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.852 -0.912 -7.471 1.00 0.00 N ATOM 1460 CA VAL A 101 -1.961 0.580 -7.453 1.00 0.00 C ATOM 1461 C VAL A 101 -2.696 1.038 -8.734 1.00 0.00 C ATOM 1462 O VAL A 101 -2.279 0.704 -9.828 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.550 1.172 -7.457 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.623 2.687 -7.263 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.268 0.549 -6.327 1.00 0.00 C ATOM 0 H VAL A 101 -1.187 -1.279 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.506 0.910 -6.569 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.072 0.956 -8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.384 3.103 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.202 3.130 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.104 2.909 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.273 0.971 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.211 0.761 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.327 -0.530 -6.472 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.779 1.781 -8.625 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.545 2.249 -9.828 1.00 0.00 C ATOM 1477 C PRO A 102 -3.945 3.486 -10.501 1.00 0.00 C ATOM 1478 O PRO A 102 -2.864 3.940 -10.184 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.914 2.600 -9.237 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.624 3.059 -7.858 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.406 2.257 -7.378 1.00 0.00 C ATOM 0 HA PRO A 102 -4.554 1.490 -10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.408 3.379 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.578 1.735 -9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.415 4.129 -7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.481 2.891 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.722 2.878 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.702 1.426 -6.738 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.689 4.044 -11.423 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.248 5.278 -12.136 1.00 0.00 C ATOM 1491 C ASP A 103 -4.807 6.485 -11.374 1.00 0.00 C ATOM 1492 O ASP A 103 -4.396 7.611 -11.574 1.00 0.00 O ATOM 1493 CB ASP A 103 -4.798 5.274 -13.564 1.00 0.00 C ATOM 1494 CG ASP A 103 -4.307 6.520 -14.297 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -3.109 6.750 -14.301 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -5.138 7.226 -14.845 1.00 0.00 O ATOM 0 H ASP A 103 -5.599 3.688 -11.715 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.160 5.323 -12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.471 4.377 -14.089 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.888 5.254 -13.546 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.758 6.238 -10.505 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.393 7.325 -9.711 1.00 0.00 C ATOM 1503 C ARG A 104 -6.180 6.994 -8.240 1.00 0.00 C ATOM 1504 O ARG A 104 -6.761 6.058 -7.727 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.910 7.349 -10.019 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.227 8.339 -11.156 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.211 9.792 -10.643 1.00 0.00 C ATOM 1508 NE ARG A 104 -6.843 10.349 -10.811 1.00 0.00 N ATOM 1509 CZ ARG A 104 -6.654 11.637 -10.835 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -7.674 12.458 -10.805 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -5.437 12.098 -10.909 1.00 0.00 N ATOM 0 H ARG A 104 -6.125 5.306 -10.312 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.962 8.296 -9.954 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.244 6.350 -10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.462 7.630 -9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.497 8.224 -11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.205 8.110 -11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.933 10.394 -11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.504 9.824 -9.594 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.047 9.718 -10.908 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.624 12.090 -10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.518 13.466 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.648 11.452 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.273 13.105 -10.929 1.00 0.00 H new ATOM 1525 N GLN A 105 -5.349 7.731 -7.542 1.00 0.00 N ATOM 1526 CA GLN A 105 -5.104 7.437 -6.097 1.00 0.00 C ATOM 1527 C GLN A 105 -5.431 8.693 -5.283 1.00 0.00 C ATOM 1528 O GLN A 105 -5.591 8.644 -4.079 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.625 7.079 -5.916 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.748 8.276 -6.310 1.00 0.00 C ATOM 1531 CD GLN A 105 -1.320 7.801 -6.589 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.978 6.580 -6.288 1.00 0.00 O flip ATOM 1533 NE2 GLN A 105 -0.506 8.549 -7.099 1.00 0.00 N flip ATOM 0 H GLN A 105 -4.829 8.526 -7.914 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.727 6.608 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.433 6.801 -4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.373 6.214 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.158 8.764 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.745 9.016 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.770 9.505 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.440 8.219 -7.289 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.517 9.821 -5.948 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.821 11.109 -5.243 1.00 0.00 C ATOM 1544 C TRP A 106 -6.903 10.886 -4.183 1.00 0.00 C ATOM 1545 O TRP A 106 -6.937 11.650 -3.232 1.00 0.00 O ATOM 1546 CB TRP A 106 -6.319 12.148 -6.256 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.503 13.462 -5.562 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.699 14.010 -5.233 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.487 14.403 -5.105 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.478 15.223 -4.605 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -6.131 15.509 -4.506 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -4.080 14.403 -5.153 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -5.410 16.578 -3.973 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -3.350 15.478 -4.624 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -4.014 16.562 -4.030 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.676 9.956 -4.339 1.00 0.00 O ATOM 0 H TRP A 106 -5.389 9.906 -6.956 1.00 0.00 H new ATOM 0 HA TRP A 106 -4.911 11.468 -4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.603 12.251 -7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -7.260 11.821 -6.698 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.666 13.571 -5.429 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.219 15.831 -4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.559 13.569 -5.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.927 17.411 -3.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -2.271 15.471 -4.674 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -3.447 17.383 -3.617 1.00 0.00 H new