USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 772 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 57 THR OG1 : rot 140:sc= 0.33 USER MOD Set 1.2: A 81 ASN : amide:sc= -13.4! C(o=-13!,f=-17!) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -24.2! C(o=-24!,f=-31!) USER MOD Set 2.2: A 51 TYR OH : rot 145:sc= 0.444 USER MOD Set 2.3: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.573 (180deg=0.00448) USER MOD Single : A 1 SER OG : rot 180:sc= 0.216 USER MOD Single : A 2 LYS NZ :NH3+ 167:sc=-0.00313 (180deg=-0.323) USER MOD Single : A 5 TYR OH : rot -64:sc= -1.4! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -16! C(o=-16!,f=-17!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.556 K(o=-0.56,f=0) USER MOD Single : A 22 SER OG : rot -9:sc= 0.968 USER MOD Single : A 24 MET CE :methyl -105:sc= 0 (180deg=-1.79!) USER MOD Single : A 25 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.55) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -6.8! C(o=-6.8!,f=-5.9!) USER MOD Single : A 33 TYR OH : rot -66:sc= 1.27 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 96:sc= 0.0385 USER MOD Single : A 53 ASN : amide:sc= -21! C(o=-21!,f=-26!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.44) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -48:sc= -0.104 USER MOD Single : A 75 THR OG1 : rot 68:sc= -1.67! USER MOD Single : A 82 SER OG : rot -68:sc= 0.17! USER MOD Single : A 85 CYS SG : rot 29:sc= -9.91! USER MOD Single : A 87 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.7!) USER MOD Single : A 90 MET CE :methyl 156:sc= -9.22! (180deg=-10.3!) USER MOD Single : A 91 THR OG1 : rot -159:sc= -0.349 USER MOD Single : A 105 GLN : amide:sc= -0.75 K(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.742 17.416 14.124 1.00 0.00 N ATOM 2 CA SER A 1 14.284 17.694 13.991 1.00 0.00 C ATOM 3 C SER A 1 14.075 19.170 13.650 1.00 0.00 C ATOM 4 O SER A 1 14.994 19.963 13.692 1.00 0.00 O ATOM 5 CB SER A 1 13.581 17.373 15.310 1.00 0.00 C ATOM 6 OG SER A 1 14.536 17.375 16.363 1.00 0.00 O ATOM 0 H1 SER A 1 16.010 16.649 13.475 1.00 0.00 H new ATOM 0 H2 SER A 1 16.282 18.273 13.888 1.00 0.00 H new ATOM 0 H3 SER A 1 15.953 17.132 15.102 1.00 0.00 H new ATOM 0 HA SER A 1 13.868 17.074 13.197 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.802 18.109 15.509 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.093 16.400 15.248 1.00 0.00 H new ATOM 0 HG SER A 1 14.089 17.171 17.211 1.00 0.00 H new ATOM 14 N LYS A 2 12.871 19.546 13.313 1.00 0.00 N ATOM 15 CA LYS A 2 12.605 20.971 12.970 1.00 0.00 C ATOM 16 C LYS A 2 11.180 21.335 13.387 1.00 0.00 C ATOM 17 O LYS A 2 10.350 20.476 13.609 1.00 0.00 O ATOM 18 CB LYS A 2 12.758 21.168 11.461 1.00 0.00 C ATOM 19 CG LYS A 2 13.569 22.437 11.190 1.00 0.00 C ATOM 20 CD LYS A 2 12.755 23.385 10.308 1.00 0.00 C ATOM 21 CE LYS A 2 12.950 23.010 8.838 1.00 0.00 C ATOM 22 NZ LYS A 2 11.881 22.058 8.422 1.00 0.00 N ATOM 0 H LYS A 2 12.061 18.928 13.261 1.00 0.00 H new ATOM 0 HA LYS A 2 13.314 21.611 13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.256 20.305 11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.777 21.244 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.823 22.926 12.130 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.508 22.183 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.699 23.327 10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.070 24.415 10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.917 23.905 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.931 22.557 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.876 21.973 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.063 21.125 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.957 22.410 8.745 1.00 0.00 H new ATOM 36 N VAL A 3 10.891 22.601 13.499 1.00 0.00 N ATOM 37 CA VAL A 3 9.522 23.016 13.904 1.00 0.00 C ATOM 38 C VAL A 3 9.170 24.338 13.217 1.00 0.00 C ATOM 39 O VAL A 3 9.934 25.276 13.225 1.00 0.00 O ATOM 40 CB VAL A 3 9.480 23.160 15.437 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.554 24.307 15.869 1.00 0.00 C ATOM 42 CG2 VAL A 3 8.964 21.853 16.033 1.00 0.00 C ATOM 0 H VAL A 3 11.544 23.365 13.327 1.00 0.00 H new ATOM 0 HA VAL A 3 8.789 22.268 13.601 1.00 0.00 H new ATOM 0 HB VAL A 3 10.486 23.384 15.793 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.548 24.380 16.957 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.913 25.244 15.444 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.542 24.112 15.513 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.928 21.938 17.119 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.964 21.649 15.651 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.632 21.038 15.755 1.00 0.00 H new ATOM 52 N VAL A 4 8.012 24.414 12.630 1.00 0.00 N ATOM 53 CA VAL A 4 7.601 25.675 11.949 1.00 0.00 C ATOM 54 C VAL A 4 6.211 26.066 12.443 1.00 0.00 C ATOM 55 O VAL A 4 5.297 25.272 12.419 1.00 0.00 O ATOM 56 CB VAL A 4 7.566 25.451 10.436 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.998 26.692 9.745 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.986 25.192 9.928 1.00 0.00 C ATOM 0 H VAL A 4 7.329 23.657 12.591 1.00 0.00 H new ATOM 0 HA VAL A 4 8.312 26.470 12.174 1.00 0.00 H new ATOM 0 HB VAL A 4 6.934 24.591 10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.974 26.530 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.987 26.879 10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.628 27.553 9.968 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.963 25.032 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.616 26.052 10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.392 24.307 10.418 1.00 0.00 H new ATOM 68 N TYR A 5 6.034 27.275 12.899 1.00 0.00 N ATOM 69 CA TYR A 5 4.685 27.671 13.396 1.00 0.00 C ATOM 70 C TYR A 5 3.923 28.422 12.312 1.00 0.00 C ATOM 71 O TYR A 5 4.498 29.054 11.451 1.00 0.00 O ATOM 72 CB TYR A 5 4.804 28.578 14.620 1.00 0.00 C ATOM 73 CG TYR A 5 5.663 27.924 15.671 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.261 26.718 16.251 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.856 28.532 16.073 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.053 26.119 17.236 1.00 0.00 C ATOM 77 CE2 TYR A 5 7.649 27.933 17.057 1.00 0.00 C ATOM 78 CZ TYR A 5 7.248 26.727 17.640 1.00 0.00 C ATOM 79 OH TYR A 5 8.031 26.140 18.613 1.00 0.00 O ATOM 0 H TYR A 5 6.753 27.997 12.949 1.00 0.00 H new ATOM 0 HA TYR A 5 4.150 26.761 13.667 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.236 29.536 14.331 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.814 28.785 15.026 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.340 26.249 15.939 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.165 29.464 15.624 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.743 25.187 17.685 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.571 28.402 17.367 1.00 0.00 H new ATOM 0 HH TYR A 5 7.540 26.122 19.461 1.00 0.00 H new ATOM 89 N VAL A 6 2.625 28.369 12.371 1.00 0.00 N ATOM 90 CA VAL A 6 1.796 29.090 11.366 1.00 0.00 C ATOM 91 C VAL A 6 0.708 29.867 12.093 1.00 0.00 C ATOM 92 O VAL A 6 0.130 29.390 13.048 1.00 0.00 O ATOM 93 CB VAL A 6 1.116 28.098 10.416 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.702 28.823 9.132 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.070 26.952 10.077 1.00 0.00 C ATOM 0 H VAL A 6 2.098 27.854 13.076 1.00 0.00 H new ATOM 0 HA VAL A 6 2.442 29.756 10.794 1.00 0.00 H new ATOM 0 HB VAL A 6 0.232 27.687 10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.218 28.118 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.007 29.627 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.585 29.241 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.575 26.254 9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.962 27.352 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.354 26.432 10.992 1.00 0.00 H new ATOM 105 N SER A 7 0.396 31.043 11.639 1.00 0.00 N ATOM 106 CA SER A 7 -0.685 31.808 12.300 1.00 0.00 C ATOM 107 C SER A 7 -2.005 31.207 11.849 1.00 0.00 C ATOM 108 O SER A 7 -2.062 30.064 11.443 1.00 0.00 O ATOM 109 CB SER A 7 -0.612 33.279 11.887 1.00 0.00 C ATOM 110 OG SER A 7 -0.556 34.091 13.052 1.00 0.00 O ATOM 0 H SER A 7 0.840 31.504 10.845 1.00 0.00 H new ATOM 0 HA SER A 7 -0.588 31.755 13.384 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.268 33.451 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.482 33.544 11.287 1.00 0.00 H new ATOM 0 HG SER A 7 -0.507 35.034 12.791 1.00 0.00 H new ATOM 116 N HIS A 8 -3.061 31.950 11.909 1.00 0.00 N ATOM 117 CA HIS A 8 -4.364 31.392 11.468 1.00 0.00 C ATOM 118 C HIS A 8 -4.211 30.950 10.003 1.00 0.00 C ATOM 119 O HIS A 8 -3.571 29.958 9.715 1.00 0.00 O ATOM 120 CB HIS A 8 -5.456 32.460 11.601 1.00 0.00 C ATOM 121 CG HIS A 8 -5.626 32.866 13.041 1.00 0.00 C ATOM 122 ND1 HIS A 8 -4.674 32.597 14.013 1.00 0.00 N ATOM 123 CD2 HIS A 8 -6.636 33.536 13.686 1.00 0.00 C ATOM 124 CE1 HIS A 8 -5.128 33.098 15.176 1.00 0.00 C ATOM 125 NE2 HIS A 8 -6.320 33.681 15.033 1.00 0.00 N ATOM 0 H HIS A 8 -3.084 32.914 12.241 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.651 30.541 12.085 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.196 33.331 11.000 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.399 32.075 11.212 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.540 33.896 13.218 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.593 33.036 16.112 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.879 34.135 15.756 1.00 0.00 H new ATOM 133 N ASP A 9 -4.763 31.675 9.070 1.00 0.00 N ATOM 134 CA ASP A 9 -4.601 31.285 7.641 1.00 0.00 C ATOM 135 C ASP A 9 -3.732 32.333 6.936 1.00 0.00 C ATOM 136 O ASP A 9 -4.237 33.186 6.234 1.00 0.00 O ATOM 137 CB ASP A 9 -5.975 31.223 6.969 1.00 0.00 C ATOM 138 CG ASP A 9 -6.010 30.049 5.988 1.00 0.00 C ATOM 139 OD1 ASP A 9 -5.127 29.977 5.149 1.00 0.00 O ATOM 140 OD2 ASP A 9 -6.919 29.243 6.092 1.00 0.00 O ATOM 0 H ASP A 9 -5.316 32.516 9.233 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.126 30.306 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.755 31.106 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.177 32.156 6.443 1.00 0.00 H new ATOM 145 N GLY A 10 -2.434 32.298 7.118 1.00 0.00 N ATOM 146 CA GLY A 10 -1.583 33.325 6.448 1.00 0.00 C ATOM 147 C GLY A 10 -0.168 32.792 6.204 1.00 0.00 C ATOM 148 O GLY A 10 0.081 32.073 5.256 1.00 0.00 O ATOM 0 H GLY A 10 -1.936 31.616 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.035 33.614 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.536 34.222 7.065 1.00 0.00 H new ATOM 152 N THR A 11 0.765 33.161 7.040 1.00 0.00 N ATOM 153 CA THR A 11 2.168 32.704 6.849 1.00 0.00 C ATOM 154 C THR A 11 2.625 31.898 8.060 1.00 0.00 C ATOM 155 O THR A 11 1.877 31.651 8.985 1.00 0.00 O ATOM 156 CB THR A 11 3.076 33.926 6.680 1.00 0.00 C ATOM 157 OG1 THR A 11 2.365 34.949 5.997 1.00 0.00 O ATOM 158 CG2 THR A 11 4.318 33.540 5.875 1.00 0.00 C ATOM 0 H THR A 11 0.613 33.762 7.850 1.00 0.00 H new ATOM 0 HA THR A 11 2.223 32.074 5.961 1.00 0.00 H new ATOM 0 HB THR A 11 3.384 34.287 7.661 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.943 35.733 5.889 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.961 34.412 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.863 32.756 6.401 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.016 33.176 4.893 1.00 0.00 H new ATOM 166 N ARG A 12 3.856 31.484 8.046 1.00 0.00 N ATOM 167 CA ARG A 12 4.402 30.682 9.174 1.00 0.00 C ATOM 168 C ARG A 12 5.916 30.895 9.263 1.00 0.00 C ATOM 169 O ARG A 12 6.583 31.088 8.267 1.00 0.00 O ATOM 170 CB ARG A 12 4.115 29.201 8.918 1.00 0.00 C ATOM 171 CG ARG A 12 4.198 28.919 7.415 1.00 0.00 C ATOM 172 CD ARG A 12 3.692 27.505 7.128 1.00 0.00 C ATOM 173 NE ARG A 12 3.955 27.164 5.701 1.00 0.00 N ATOM 174 CZ ARG A 12 3.880 25.924 5.297 1.00 0.00 C ATOM 175 NH1 ARG A 12 3.570 24.977 6.140 1.00 0.00 N ATOM 176 NH2 ARG A 12 4.115 25.632 4.047 1.00 0.00 N ATOM 0 H ARG A 12 4.518 31.669 7.292 1.00 0.00 H new ATOM 0 HA ARG A 12 3.935 30.994 10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.833 28.582 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.126 28.941 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.602 29.648 6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.227 29.024 7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.190 26.789 7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.624 27.439 7.338 1.00 0.00 H new ATOM 0 HE ARG A 12 4.194 27.901 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.386 25.204 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.512 24.010 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.357 26.371 3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.057 24.664 3.730 1.00 0.00 H new ATOM 190 N ARG A 13 6.465 30.848 10.446 1.00 0.00 N ATOM 191 CA ARG A 13 7.938 31.033 10.590 1.00 0.00 C ATOM 192 C ARG A 13 8.569 29.678 10.897 1.00 0.00 C ATOM 193 O ARG A 13 7.881 28.696 11.092 1.00 0.00 O ATOM 194 CB ARG A 13 8.246 32.011 11.732 1.00 0.00 C ATOM 195 CG ARG A 13 7.046 32.932 11.968 1.00 0.00 C ATOM 196 CD ARG A 13 7.306 33.804 13.197 1.00 0.00 C ATOM 197 NE ARG A 13 6.269 34.873 13.276 1.00 0.00 N ATOM 198 CZ ARG A 13 6.106 35.548 14.382 1.00 0.00 C ATOM 199 NH1 ARG A 13 6.850 35.292 15.425 1.00 0.00 N ATOM 200 NH2 ARG A 13 5.197 36.483 14.446 1.00 0.00 N ATOM 0 H ARG A 13 5.959 30.690 11.318 1.00 0.00 H new ATOM 0 HA ARG A 13 8.345 31.441 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.476 31.459 12.643 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.128 32.604 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.878 33.559 11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.143 32.340 12.114 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.284 33.194 14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.299 34.249 13.137 1.00 0.00 H new ATOM 0 HE ARG A 13 5.686 35.077 12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.561 34.563 15.377 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.719 35.822 16.287 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.615 36.685 13.633 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.068 37.011 15.309 1.00 0.00 H new ATOM 214 N GLN A 14 9.868 29.604 10.931 1.00 0.00 N ATOM 215 CA GLN A 14 10.516 28.294 11.214 1.00 0.00 C ATOM 216 C GLN A 14 11.451 28.406 12.422 1.00 0.00 C ATOM 217 O GLN A 14 11.828 29.483 12.840 1.00 0.00 O ATOM 218 CB GLN A 14 11.318 27.848 9.990 1.00 0.00 C ATOM 219 CG GLN A 14 12.443 28.850 9.724 1.00 0.00 C ATOM 220 CD GLN A 14 13.361 28.307 8.627 1.00 0.00 C ATOM 221 OE1 GLN A 14 14.548 28.566 8.629 1.00 0.00 O ATOM 222 NE2 GLN A 14 12.858 27.560 7.683 1.00 0.00 N ATOM 0 H GLN A 14 10.505 30.385 10.777 1.00 0.00 H new ATOM 0 HA GLN A 14 9.741 27.561 11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.734 26.854 10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.665 27.779 9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.025 29.810 9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.013 29.024 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.861 27.342 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 14 13.461 27.193 6.947 1.00 0.00 H new ATOM 231 N LEU A 15 11.825 27.286 12.977 1.00 0.00 N ATOM 232 CA LEU A 15 12.738 27.279 14.155 1.00 0.00 C ATOM 233 C LEU A 15 13.195 25.851 14.417 1.00 0.00 C ATOM 234 O LEU A 15 12.895 24.940 13.671 1.00 0.00 O ATOM 235 CB LEU A 15 12.017 27.812 15.397 1.00 0.00 C ATOM 236 CG LEU A 15 10.637 27.171 15.519 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.375 26.807 16.982 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.576 28.164 15.045 1.00 0.00 C ATOM 0 H LEU A 15 11.532 26.362 12.659 1.00 0.00 H new ATOM 0 HA LEU A 15 13.594 27.919 13.944 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.606 27.598 16.289 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.919 28.896 15.333 1.00 0.00 H new ATOM 0 HG LEU A 15 10.595 26.271 14.906 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.390 26.349 17.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.135 26.104 17.324 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.413 27.708 17.594 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.589 27.710 15.130 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.617 29.062 15.661 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.765 28.429 14.005 1.00 0.00 H new ATOM 250 N ASP A 16 13.924 25.654 15.469 1.00 0.00 N ATOM 251 CA ASP A 16 14.416 24.283 15.787 1.00 0.00 C ATOM 252 C ASP A 16 14.148 23.957 17.259 1.00 0.00 C ATOM 253 O ASP A 16 14.962 24.225 18.121 1.00 0.00 O ATOM 254 CB ASP A 16 15.920 24.209 15.517 1.00 0.00 C ATOM 255 CG ASP A 16 16.429 22.803 15.841 1.00 0.00 C ATOM 256 OD1 ASP A 16 15.639 21.876 15.761 1.00 0.00 O ATOM 257 OD2 ASP A 16 17.599 22.677 16.163 1.00 0.00 O ATOM 0 H ASP A 16 14.205 26.380 16.128 1.00 0.00 H new ATOM 0 HA ASP A 16 13.892 23.561 15.160 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.125 24.450 14.474 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.446 24.946 16.124 1.00 0.00 H new ATOM 262 N VAL A 17 13.020 23.367 17.553 1.00 0.00 N ATOM 263 CA VAL A 17 12.713 23.012 18.968 1.00 0.00 C ATOM 264 C VAL A 17 13.758 22.011 19.465 1.00 0.00 C ATOM 265 O VAL A 17 14.339 21.275 18.693 1.00 0.00 O ATOM 266 CB VAL A 17 11.324 22.379 19.047 1.00 0.00 C ATOM 267 CG1 VAL A 17 11.128 21.750 20.428 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.262 23.457 18.825 1.00 0.00 C ATOM 0 H VAL A 17 12.300 23.116 16.876 1.00 0.00 H new ATOM 0 HA VAL A 17 12.734 23.909 19.587 1.00 0.00 H new ATOM 0 HB VAL A 17 11.230 21.610 18.280 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.138 21.298 20.485 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.886 20.984 20.590 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.221 22.519 21.195 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.270 23.008 18.881 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.357 24.225 19.593 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.401 23.908 17.842 1.00 0.00 H new ATOM 278 N ALA A 18 14.005 21.975 20.745 1.00 0.00 N ATOM 279 CA ALA A 18 15.016 21.017 21.277 1.00 0.00 C ATOM 280 C ALA A 18 14.327 19.705 21.654 1.00 0.00 C ATOM 281 O ALA A 18 13.117 19.602 21.641 1.00 0.00 O ATOM 282 CB ALA A 18 15.686 21.617 22.515 1.00 0.00 C ATOM 0 H ALA A 18 13.553 22.565 21.444 1.00 0.00 H new ATOM 0 HA ALA A 18 15.770 20.824 20.514 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.425 20.917 22.904 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.178 22.552 22.245 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.933 21.811 23.279 1.00 0.00 H new ATOM 288 N ASP A 19 15.089 18.703 21.994 1.00 0.00 N ATOM 289 CA ASP A 19 14.484 17.404 22.375 1.00 0.00 C ATOM 290 C ASP A 19 13.962 17.499 23.803 1.00 0.00 C ATOM 291 O ASP A 19 14.677 17.844 24.722 1.00 0.00 O ATOM 292 CB ASP A 19 15.531 16.296 22.290 1.00 0.00 C ATOM 293 CG ASP A 19 15.984 16.129 20.838 1.00 0.00 C ATOM 294 OD1 ASP A 19 15.132 16.160 19.965 1.00 0.00 O ATOM 295 OD2 ASP A 19 17.175 15.972 20.624 1.00 0.00 O ATOM 0 H ASP A 19 16.108 18.732 22.023 1.00 0.00 H new ATOM 0 HA ASP A 19 13.665 17.172 21.694 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.385 16.539 22.922 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.115 15.360 22.662 1.00 0.00 H new ATOM 300 N GLY A 20 12.717 17.196 23.985 1.00 0.00 N ATOM 301 CA GLY A 20 12.119 17.265 25.348 1.00 0.00 C ATOM 302 C GLY A 20 11.595 18.679 25.604 1.00 0.00 C ATOM 303 O GLY A 20 11.513 19.128 26.730 1.00 0.00 O ATOM 0 H GLY A 20 12.078 16.901 23.247 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.307 16.543 25.438 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.865 17.001 26.098 1.00 0.00 H new ATOM 307 N VAL A 21 11.238 19.385 24.566 1.00 0.00 N ATOM 308 CA VAL A 21 10.717 20.770 24.745 1.00 0.00 C ATOM 309 C VAL A 21 9.308 20.854 24.166 1.00 0.00 C ATOM 310 O VAL A 21 8.890 20.008 23.406 1.00 0.00 O ATOM 311 CB VAL A 21 11.623 21.759 24.006 1.00 0.00 C ATOM 312 CG1 VAL A 21 11.473 23.153 24.615 1.00 0.00 C ATOM 313 CG2 VAL A 21 13.078 21.305 24.128 1.00 0.00 C ATOM 0 H VAL A 21 11.285 19.062 23.600 1.00 0.00 H new ATOM 0 HA VAL A 21 10.698 21.017 25.807 1.00 0.00 H new ATOM 0 HB VAL A 21 11.337 21.793 22.955 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.120 23.853 24.086 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.437 23.479 24.527 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.756 23.123 25.667 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.724 22.008 23.602 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.361 21.269 25.180 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.188 20.313 23.689 1.00 0.00 H new ATOM 323 N SER A 22 8.576 21.873 24.507 1.00 0.00 N ATOM 324 CA SER A 22 7.199 22.013 23.961 1.00 0.00 C ATOM 325 C SER A 22 7.204 23.120 22.910 1.00 0.00 C ATOM 326 O SER A 22 7.857 24.131 23.071 1.00 0.00 O ATOM 327 CB SER A 22 6.234 22.379 25.088 1.00 0.00 C ATOM 328 OG SER A 22 4.932 21.911 24.762 1.00 0.00 O ATOM 0 H SER A 22 8.870 22.616 25.140 1.00 0.00 H new ATOM 0 HA SER A 22 6.878 21.073 23.512 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.568 21.936 26.026 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.219 23.459 25.233 1.00 0.00 H new ATOM 0 HG SER A 22 4.921 21.593 23.835 1.00 0.00 H new ATOM 334 N LEU A 23 6.490 22.944 21.834 1.00 0.00 N ATOM 335 CA LEU A 23 6.474 24.004 20.791 1.00 0.00 C ATOM 336 C LEU A 23 6.269 25.357 21.473 1.00 0.00 C ATOM 337 O LEU A 23 6.684 26.385 20.976 1.00 0.00 O ATOM 338 CB LEU A 23 5.340 23.740 19.799 1.00 0.00 C ATOM 339 CG LEU A 23 5.801 22.735 18.737 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.756 22.652 17.625 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.138 23.179 18.142 1.00 0.00 C ATOM 0 H LEU A 23 5.922 22.121 21.633 1.00 0.00 H new ATOM 0 HA LEU A 23 7.418 24.004 20.246 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.468 23.352 20.325 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.037 24.672 19.323 1.00 0.00 H new ATOM 0 HG LEU A 23 5.922 21.757 19.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.084 21.937 16.870 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.804 22.326 18.044 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.634 23.633 17.167 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.458 22.459 17.389 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.023 24.160 17.681 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.887 23.235 18.932 1.00 0.00 H new ATOM 353 N MET A 24 5.648 25.360 22.622 1.00 0.00 N ATOM 354 CA MET A 24 5.437 26.640 23.350 1.00 0.00 C ATOM 355 C MET A 24 6.782 27.110 23.903 1.00 0.00 C ATOM 356 O MET A 24 7.167 28.252 23.746 1.00 0.00 O ATOM 357 CB MET A 24 4.455 26.421 24.503 1.00 0.00 C ATOM 358 CG MET A 24 4.283 27.725 25.283 1.00 0.00 C ATOM 359 SD MET A 24 3.001 27.511 26.543 1.00 0.00 S ATOM 360 CE MET A 24 3.548 28.833 27.651 1.00 0.00 C ATOM 0 H MET A 24 5.278 24.530 23.086 1.00 0.00 H new ATOM 0 HA MET A 24 5.027 27.391 22.675 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.492 26.087 24.116 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.823 25.636 25.164 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.225 28.007 25.752 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.010 28.533 24.605 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.039 28.398 28.522 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.249 29.482 27.125 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.686 29.417 27.975 1.00 0.00 H new ATOM 370 N GLN A 25 7.508 26.230 24.541 1.00 0.00 N ATOM 371 CA GLN A 25 8.837 26.617 25.090 1.00 0.00 C ATOM 372 C GLN A 25 9.654 27.283 23.982 1.00 0.00 C ATOM 373 O GLN A 25 10.114 28.397 24.124 1.00 0.00 O ATOM 374 CB GLN A 25 9.569 25.369 25.589 1.00 0.00 C ATOM 375 CG GLN A 25 10.933 25.769 26.155 1.00 0.00 C ATOM 376 CD GLN A 25 10.760 26.292 27.582 1.00 0.00 C ATOM 377 OE1 GLN A 25 10.424 27.441 27.785 1.00 0.00 O ATOM 378 NE2 GLN A 25 10.978 25.489 28.588 1.00 0.00 N ATOM 0 H GLN A 25 7.237 25.261 24.705 1.00 0.00 H new ATOM 0 HA GLN A 25 8.707 27.310 25.921 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.977 24.870 26.356 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.697 24.658 24.772 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.606 24.912 26.150 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.388 26.536 25.528 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.260 24.524 28.418 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.866 25.827 29.544 1.00 0.00 H new ATOM 387 N ALA A 26 9.830 26.613 22.874 1.00 0.00 N ATOM 388 CA ALA A 26 10.606 27.225 21.757 1.00 0.00 C ATOM 389 C ALA A 26 9.997 28.585 21.418 1.00 0.00 C ATOM 390 O ALA A 26 10.683 29.498 21.009 1.00 0.00 O ATOM 391 CB ALA A 26 10.544 26.316 20.527 1.00 0.00 C ATOM 0 H ALA A 26 9.473 25.675 22.695 1.00 0.00 H new ATOM 0 HA ALA A 26 11.647 27.349 22.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.112 26.766 19.713 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.970 25.343 20.772 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.506 26.191 20.219 1.00 0.00 H new ATOM 397 N ALA A 27 8.711 28.729 21.593 1.00 0.00 N ATOM 398 CA ALA A 27 8.057 30.033 21.288 1.00 0.00 C ATOM 399 C ALA A 27 8.654 31.121 22.183 1.00 0.00 C ATOM 400 O ALA A 27 8.876 32.237 21.760 1.00 0.00 O ATOM 401 CB ALA A 27 6.555 29.922 21.554 1.00 0.00 C ATOM 0 H ALA A 27 8.085 27.999 21.934 1.00 0.00 H new ATOM 0 HA ALA A 27 8.223 30.290 20.242 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.075 30.875 21.332 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.130 29.144 20.920 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.389 29.668 22.601 1.00 0.00 H new ATOM 407 N VAL A 28 8.912 30.801 23.422 1.00 0.00 N ATOM 408 CA VAL A 28 9.491 31.805 24.364 1.00 0.00 C ATOM 409 C VAL A 28 10.653 32.552 23.702 1.00 0.00 C ATOM 410 O VAL A 28 11.007 33.643 24.104 1.00 0.00 O ATOM 411 CB VAL A 28 10.002 31.087 25.614 1.00 0.00 C ATOM 412 CG1 VAL A 28 10.539 32.115 26.611 1.00 0.00 C ATOM 413 CG2 VAL A 28 8.853 30.307 26.257 1.00 0.00 C ATOM 0 H VAL A 28 8.745 29.880 23.826 1.00 0.00 H new ATOM 0 HA VAL A 28 8.717 32.523 24.634 1.00 0.00 H new ATOM 0 HB VAL A 28 10.801 30.399 25.337 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.903 31.603 27.502 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.356 32.673 26.154 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.741 32.803 26.889 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.215 29.794 27.148 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.055 30.996 26.534 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.469 29.574 25.548 1.00 0.00 H new ATOM 423 N SER A 29 11.261 31.974 22.704 1.00 0.00 N ATOM 424 CA SER A 29 12.410 32.655 22.039 1.00 0.00 C ATOM 425 C SER A 29 12.021 33.097 20.628 1.00 0.00 C ATOM 426 O SER A 29 12.229 34.229 20.241 1.00 0.00 O ATOM 427 CB SER A 29 13.572 31.679 21.933 1.00 0.00 C ATOM 428 OG SER A 29 14.796 32.402 21.917 1.00 0.00 O ATOM 0 H SER A 29 11.014 31.062 22.320 1.00 0.00 H new ATOM 0 HA SER A 29 12.691 33.527 22.629 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.557 30.986 22.774 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.478 31.082 21.026 1.00 0.00 H new ATOM 0 HG SER A 29 15.546 31.774 21.850 1.00 0.00 H new ATOM 434 N ASN A 30 11.469 32.205 19.853 1.00 0.00 N ATOM 435 CA ASN A 30 11.080 32.561 18.460 1.00 0.00 C ATOM 436 C ASN A 30 10.069 33.708 18.473 1.00 0.00 C ATOM 437 O ASN A 30 9.772 34.297 17.453 1.00 0.00 O ATOM 438 CB ASN A 30 10.457 31.342 17.784 1.00 0.00 C ATOM 439 CG ASN A 30 11.564 30.373 17.371 1.00 0.00 C ATOM 440 OD1 ASN A 30 12.275 30.616 16.417 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.744 29.279 18.060 1.00 0.00 N ATOM 0 H ASN A 30 11.270 31.242 20.125 1.00 0.00 H new ATOM 0 HA ASN A 30 11.967 32.876 17.910 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.762 30.850 18.465 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.883 31.650 16.910 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.483 28.627 17.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.146 29.077 18.861 1.00 0.00 H new ATOM 448 N GLY A 31 9.537 34.029 19.616 1.00 0.00 N ATOM 449 CA GLY A 31 8.544 35.140 19.686 1.00 0.00 C ATOM 450 C GLY A 31 7.129 34.562 19.699 1.00 0.00 C ATOM 451 O GLY A 31 6.229 35.125 20.284 1.00 0.00 O ATOM 0 H GLY A 31 9.744 33.573 20.505 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.713 35.736 20.583 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.668 35.806 18.832 1.00 0.00 H new ATOM 455 N ILE A 32 6.923 33.445 19.055 1.00 0.00 N ATOM 456 CA ILE A 32 5.546 32.845 19.046 1.00 0.00 C ATOM 457 C ILE A 32 5.038 32.740 20.474 1.00 0.00 C ATOM 458 O ILE A 32 3.851 32.652 20.714 1.00 0.00 O ATOM 459 CB ILE A 32 5.514 31.440 18.443 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.924 30.962 18.111 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.637 31.434 17.189 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.367 31.482 16.737 1.00 0.00 C ATOM 0 H ILE A 32 7.633 32.924 18.540 1.00 0.00 H new ATOM 0 HA ILE A 32 4.923 33.498 18.434 1.00 0.00 H new ATOM 0 HB ILE A 32 5.090 30.754 19.176 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.619 31.307 18.877 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.955 29.872 18.120 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.618 30.431 16.763 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.623 31.736 17.452 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.044 32.131 16.457 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.375 31.128 16.522 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.683 31.116 15.971 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.358 32.572 16.740 1.00 0.00 H new ATOM 474 N TYR A 33 5.927 32.746 21.422 1.00 0.00 N ATOM 475 CA TYR A 33 5.493 32.659 22.847 1.00 0.00 C ATOM 476 C TYR A 33 4.291 33.583 23.024 1.00 0.00 C ATOM 477 O TYR A 33 3.269 33.214 23.568 1.00 0.00 O ATOM 478 CB TYR A 33 6.654 33.092 23.760 1.00 0.00 C ATOM 479 CG TYR A 33 6.573 34.570 24.084 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.796 35.009 25.163 1.00 0.00 C ATOM 481 CD2 TYR A 33 7.275 35.497 23.304 1.00 0.00 C ATOM 482 CE1 TYR A 33 5.722 36.375 25.462 1.00 0.00 C ATOM 483 CE2 TYR A 33 7.200 36.863 23.603 1.00 0.00 C ATOM 484 CZ TYR A 33 6.424 37.301 24.682 1.00 0.00 C ATOM 485 OH TYR A 33 6.350 38.648 24.977 1.00 0.00 O ATOM 0 H TYR A 33 6.935 32.807 21.277 1.00 0.00 H new ATOM 0 HA TYR A 33 5.215 31.639 23.112 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.630 32.513 24.683 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.604 32.875 23.272 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.254 34.294 25.764 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.874 35.159 22.472 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.123 36.714 26.294 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.741 37.578 23.001 1.00 0.00 H new ATOM 0 HH TYR A 33 5.437 38.967 24.820 1.00 0.00 H new ATOM 495 N ASP A 34 4.417 34.782 22.535 1.00 0.00 N ATOM 496 CA ASP A 34 3.300 35.753 22.628 1.00 0.00 C ATOM 497 C ASP A 34 2.376 35.562 21.421 1.00 0.00 C ATOM 498 O ASP A 34 1.222 35.942 21.452 1.00 0.00 O ATOM 499 CB ASP A 34 3.857 37.178 22.626 1.00 0.00 C ATOM 500 CG ASP A 34 3.125 38.014 23.676 1.00 0.00 C ATOM 501 OD1 ASP A 34 1.917 37.874 23.779 1.00 0.00 O ATOM 502 OD2 ASP A 34 3.783 38.781 24.360 1.00 0.00 O ATOM 0 H ASP A 34 5.255 35.132 22.071 1.00 0.00 H new ATOM 0 HA ASP A 34 2.743 35.588 23.551 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.926 37.162 22.839 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.735 37.626 21.640 1.00 0.00 H new ATOM 507 N ILE A 35 2.864 34.971 20.354 1.00 0.00 N ATOM 508 CA ILE A 35 1.985 34.768 19.167 1.00 0.00 C ATOM 509 C ILE A 35 1.194 33.467 19.335 1.00 0.00 C ATOM 510 O ILE A 35 0.486 33.041 18.445 1.00 0.00 O ATOM 511 CB ILE A 35 2.838 34.687 17.899 1.00 0.00 C ATOM 512 CG1 ILE A 35 4.027 35.643 18.021 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.990 35.083 16.689 1.00 0.00 C ATOM 514 CD1 ILE A 35 3.519 37.054 18.326 1.00 0.00 C ATOM 0 H ILE A 35 3.819 34.627 20.258 1.00 0.00 H new ATOM 0 HA ILE A 35 1.294 35.607 19.082 1.00 0.00 H new ATOM 0 HB ILE A 35 3.203 33.668 17.771 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.697 35.307 18.812 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.602 35.644 17.095 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.597 35.026 15.785 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.142 34.404 16.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.626 36.102 16.818 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.366 37.735 18.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.866 37.388 17.519 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.963 37.046 19.263 1.00 0.00 H new ATOM 526 N VAL A 36 1.308 32.833 20.472 1.00 0.00 N ATOM 527 CA VAL A 36 0.562 31.562 20.695 1.00 0.00 C ATOM 528 C VAL A 36 0.678 31.154 22.166 1.00 0.00 C ATOM 529 O VAL A 36 1.429 31.735 22.924 1.00 0.00 O ATOM 530 CB VAL A 36 1.153 30.462 19.812 1.00 0.00 C ATOM 531 CG1 VAL A 36 2.525 30.055 20.352 1.00 0.00 C ATOM 532 CG2 VAL A 36 0.222 29.248 19.820 1.00 0.00 C ATOM 0 H VAL A 36 1.885 33.141 21.255 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.488 31.707 20.440 1.00 0.00 H new ATOM 0 HB VAL A 36 1.260 30.833 18.793 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.946 29.271 19.722 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.189 30.920 20.347 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.419 29.684 21.371 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.642 28.463 19.191 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.116 28.878 20.840 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.756 29.537 19.435 1.00 0.00 H new ATOM 542 N GLY A 37 -0.057 30.155 22.574 1.00 0.00 N ATOM 543 CA GLY A 37 0.015 29.707 23.995 1.00 0.00 C ATOM 544 C GLY A 37 -0.775 30.673 24.881 1.00 0.00 C ATOM 545 O GLY A 37 -1.252 31.695 24.430 1.00 0.00 O ATOM 0 H GLY A 37 -0.704 29.630 21.986 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.389 28.699 24.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.054 29.666 24.321 1.00 0.00 H new ATOM 549 N ASP A 38 -0.916 30.356 26.140 1.00 0.00 N ATOM 550 CA ASP A 38 -1.674 31.255 27.054 1.00 0.00 C ATOM 551 C ASP A 38 -1.482 30.794 28.501 1.00 0.00 C ATOM 552 O ASP A 38 -0.581 31.233 29.188 1.00 0.00 O ATOM 553 CB ASP A 38 -3.161 31.211 26.696 1.00 0.00 C ATOM 554 CG ASP A 38 -3.974 31.887 27.802 1.00 0.00 C ATOM 555 OD1 ASP A 38 -3.552 32.934 28.264 1.00 0.00 O ATOM 556 OD2 ASP A 38 -5.005 31.347 28.167 1.00 0.00 O ATOM 0 H ASP A 38 -0.539 29.513 26.574 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.305 32.275 26.947 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.332 31.715 25.745 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.485 30.178 26.572 1.00 0.00 H new ATOM 561 N CYS A 39 -2.323 29.913 28.972 1.00 0.00 N ATOM 562 CA CYS A 39 -2.186 29.429 30.375 1.00 0.00 C ATOM 563 C CYS A 39 -0.873 28.658 30.524 1.00 0.00 C ATOM 564 O CYS A 39 -0.341 28.522 31.608 1.00 0.00 O ATOM 565 CB CYS A 39 -3.365 28.512 30.719 1.00 0.00 C ATOM 566 SG CYS A 39 -3.194 26.936 29.842 1.00 0.00 S ATOM 0 H CYS A 39 -3.098 29.508 28.446 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.183 30.281 31.054 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.400 28.338 31.794 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.304 28.992 30.443 1.00 0.00 H new ATOM 571 N GLY A 40 -0.345 28.151 29.443 1.00 0.00 N ATOM 572 CA GLY A 40 0.933 27.390 29.525 1.00 0.00 C ATOM 573 C GLY A 40 0.818 26.311 30.602 1.00 0.00 C ATOM 574 O GLY A 40 -0.219 26.135 31.211 1.00 0.00 O ATOM 0 H GLY A 40 -0.744 28.231 28.508 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.159 26.934 28.561 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.756 28.065 29.759 1.00 0.00 H new ATOM 578 N GLY A 41 1.876 25.585 30.844 1.00 0.00 N ATOM 579 CA GLY A 41 1.826 24.518 31.883 1.00 0.00 C ATOM 580 C GLY A 41 0.910 23.387 31.411 1.00 0.00 C ATOM 581 O GLY A 41 1.234 22.653 30.499 1.00 0.00 O ATOM 0 H GLY A 41 2.772 25.685 30.367 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.828 24.133 32.073 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.459 24.929 32.824 1.00 0.00 H new ATOM 585 N SER A 42 -0.232 23.240 32.025 1.00 0.00 N ATOM 586 CA SER A 42 -1.167 22.156 31.611 1.00 0.00 C ATOM 587 C SER A 42 -2.403 22.773 30.953 1.00 0.00 C ATOM 588 O SER A 42 -2.495 23.972 30.784 1.00 0.00 O ATOM 589 CB SER A 42 -1.591 21.352 32.840 1.00 0.00 C ATOM 590 OG SER A 42 -0.536 21.359 33.793 1.00 0.00 O ATOM 0 H SER A 42 -0.558 23.824 32.795 1.00 0.00 H new ATOM 0 HA SER A 42 -0.668 21.497 30.901 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.493 21.781 33.276 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.831 20.328 32.554 1.00 0.00 H new ATOM 0 HG SER A 42 -0.805 20.846 34.583 1.00 0.00 H new ATOM 596 N ALA A 43 -3.355 21.962 30.580 1.00 0.00 N ATOM 597 CA ALA A 43 -4.583 22.502 29.933 1.00 0.00 C ATOM 598 C ALA A 43 -5.302 23.438 30.907 1.00 0.00 C ATOM 599 O ALA A 43 -5.859 23.009 31.898 1.00 0.00 O ATOM 600 CB ALA A 43 -5.512 21.346 29.557 1.00 0.00 C ATOM 0 H ALA A 43 -3.335 20.949 30.696 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.308 23.054 29.034 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.411 21.741 29.083 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.000 20.678 28.864 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.788 20.794 30.455 1.00 0.00 H new ATOM 606 N SER A 44 -5.295 24.714 30.633 1.00 0.00 N ATOM 607 CA SER A 44 -5.978 25.675 31.543 1.00 0.00 C ATOM 608 C SER A 44 -6.800 26.667 30.717 1.00 0.00 C ATOM 609 O SER A 44 -7.324 27.634 31.233 1.00 0.00 O ATOM 610 CB SER A 44 -4.932 26.436 32.359 1.00 0.00 C ATOM 611 OG SER A 44 -5.148 26.192 33.743 1.00 0.00 O ATOM 0 H SER A 44 -4.846 25.132 29.818 1.00 0.00 H new ATOM 0 HA SER A 44 -6.639 25.129 32.216 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.929 26.118 32.074 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.998 27.504 32.151 1.00 0.00 H new ATOM 0 HG SER A 44 -4.478 26.677 34.269 1.00 0.00 H new ATOM 617 N CYS A 45 -6.919 26.436 29.438 1.00 0.00 N ATOM 618 CA CYS A 45 -7.711 27.367 28.585 1.00 0.00 C ATOM 619 C CYS A 45 -8.003 26.706 27.234 1.00 0.00 C ATOM 620 O CYS A 45 -7.929 25.502 27.092 1.00 0.00 O ATOM 621 CB CYS A 45 -6.922 28.670 28.381 1.00 0.00 C ATOM 622 SG CYS A 45 -5.653 28.453 27.101 1.00 0.00 S ATOM 0 H CYS A 45 -6.503 25.644 28.948 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.657 27.598 29.075 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.602 29.472 28.095 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.453 28.969 29.319 1.00 0.00 H new ATOM 627 N ALA A 46 -8.332 27.486 26.241 1.00 0.00 N ATOM 628 CA ALA A 46 -8.626 26.905 24.901 1.00 0.00 C ATOM 629 C ALA A 46 -8.150 27.868 23.811 1.00 0.00 C ATOM 630 O ALA A 46 -8.491 27.730 22.654 1.00 0.00 O ATOM 631 CB ALA A 46 -10.133 26.682 24.761 1.00 0.00 C ATOM 0 H ALA A 46 -8.410 28.501 26.300 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.106 25.953 24.797 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.348 26.257 23.781 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.473 25.996 25.537 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.653 27.634 24.866 1.00 0.00 H new ATOM 637 N THR A 47 -7.363 28.845 24.173 1.00 0.00 N ATOM 638 CA THR A 47 -6.865 29.818 23.160 1.00 0.00 C ATOM 639 C THR A 47 -5.712 29.193 22.372 1.00 0.00 C ATOM 640 O THR A 47 -5.371 29.640 21.295 1.00 0.00 O ATOM 641 CB THR A 47 -6.372 31.082 23.868 1.00 0.00 C ATOM 642 OG1 THR A 47 -5.959 32.035 22.898 1.00 0.00 O ATOM 643 CG2 THR A 47 -5.194 30.733 24.778 1.00 0.00 C ATOM 0 H THR A 47 -7.043 29.011 25.127 1.00 0.00 H new ATOM 0 HA THR A 47 -7.674 30.075 22.476 1.00 0.00 H new ATOM 0 HB THR A 47 -7.179 31.501 24.469 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.693 32.660 22.720 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.844 31.634 25.282 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.513 30.002 25.521 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.385 30.313 24.181 1.00 0.00 H new ATOM 651 N CYS A 48 -5.108 28.162 22.897 1.00 0.00 N ATOM 652 CA CYS A 48 -3.980 27.515 22.171 1.00 0.00 C ATOM 653 C CYS A 48 -4.519 26.449 21.211 1.00 0.00 C ATOM 654 O CYS A 48 -3.964 25.380 21.084 1.00 0.00 O ATOM 655 CB CYS A 48 -2.993 26.901 23.169 1.00 0.00 C ATOM 656 SG CYS A 48 -3.738 25.484 24.009 1.00 0.00 S ATOM 0 H CYS A 48 -5.346 27.741 23.795 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.451 28.269 21.588 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.088 26.588 22.648 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.695 27.650 23.902 1.00 0.00 H new ATOM 661 N HIS A 49 -5.595 26.756 20.529 1.00 0.00 N ATOM 662 CA HIS A 49 -6.197 25.801 19.543 1.00 0.00 C ATOM 663 C HIS A 49 -5.261 25.705 18.334 1.00 0.00 C ATOM 664 O HIS A 49 -5.513 26.287 17.300 1.00 0.00 O ATOM 665 CB HIS A 49 -7.550 26.377 19.098 1.00 0.00 C ATOM 666 CG HIS A 49 -8.207 25.494 18.085 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.318 24.740 18.393 1.00 0.00 N ATOM 668 CD2 HIS A 49 -7.959 25.274 16.753 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.694 24.109 17.278 1.00 0.00 C ATOM 670 NE2 HIS A 49 -8.901 24.393 16.246 1.00 0.00 N ATOM 0 H HIS A 49 -6.091 27.643 20.615 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.334 24.813 19.981 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.203 26.490 19.964 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.404 27.372 18.677 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.154 25.719 16.187 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.543 23.445 17.220 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.972 24.040 15.292 1.00 0.00 H new ATOM 678 N VAL A 50 -4.171 25.006 18.442 1.00 0.00 N ATOM 679 CA VAL A 50 -3.252 24.958 17.283 1.00 0.00 C ATOM 680 C VAL A 50 -3.742 23.967 16.255 1.00 0.00 C ATOM 681 O VAL A 50 -4.287 22.925 16.563 1.00 0.00 O ATOM 682 CB VAL A 50 -1.851 24.557 17.713 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.394 25.436 18.879 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.849 23.089 18.140 1.00 0.00 C ATOM 0 H VAL A 50 -3.882 24.477 19.265 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.226 25.958 16.849 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.165 24.691 16.877 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.389 25.144 19.183 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.390 26.480 18.567 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.078 25.311 19.719 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.844 22.801 18.448 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.538 22.952 18.974 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.164 22.466 17.303 1.00 0.00 H new ATOM 694 N TYR A 51 -3.526 24.296 15.031 1.00 0.00 N ATOM 695 CA TYR A 51 -3.938 23.408 13.927 1.00 0.00 C ATOM 696 C TYR A 51 -2.672 22.851 13.281 1.00 0.00 C ATOM 697 O TYR A 51 -1.964 23.529 12.566 1.00 0.00 O ATOM 698 CB TYR A 51 -4.728 24.235 12.937 1.00 0.00 C ATOM 699 CG TYR A 51 -6.211 24.055 13.175 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.761 22.773 13.127 1.00 0.00 C ATOM 701 CD2 TYR A 51 -7.042 25.166 13.403 1.00 0.00 C ATOM 702 CE1 TYR A 51 -8.134 22.587 13.307 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.421 24.979 13.573 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.966 23.691 13.524 1.00 0.00 C ATOM 705 OH TYR A 51 -10.325 23.512 13.680 1.00 0.00 O ATOM 0 H TYR A 51 -3.072 25.161 14.738 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.557 22.581 14.275 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.461 25.287 13.036 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.476 23.936 11.919 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.122 21.921 12.950 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.620 26.159 13.447 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.553 21.592 13.279 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.064 25.830 13.742 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.669 24.164 14.326 1.00 0.00 H new ATOM 715 N VAL A 52 -2.366 21.632 13.590 1.00 0.00 N ATOM 716 CA VAL A 52 -1.111 21.001 13.083 1.00 0.00 C ATOM 717 C VAL A 52 -1.353 20.067 11.897 1.00 0.00 C ATOM 718 O VAL A 52 -2.428 19.534 11.710 1.00 0.00 O ATOM 719 CB VAL A 52 -0.523 20.179 14.222 1.00 0.00 C ATOM 720 CG1 VAL A 52 0.915 19.781 13.889 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.566 21.017 15.501 1.00 0.00 C ATOM 0 H VAL A 52 -2.937 21.029 14.182 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.444 21.794 12.744 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.103 19.267 14.365 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.329 19.193 14.708 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.926 19.187 12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.517 20.678 13.746 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.148 20.442 16.327 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.018 21.926 15.360 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.599 21.281 15.729 1.00 0.00 H new ATOM 731 N ASN A 53 -0.325 19.860 11.106 1.00 0.00 N ATOM 732 CA ASN A 53 -0.437 18.945 9.936 1.00 0.00 C ATOM 733 C ASN A 53 -1.130 17.654 10.370 1.00 0.00 C ATOM 734 O ASN A 53 -1.447 17.463 11.525 1.00 0.00 O ATOM 735 CB ASN A 53 0.940 18.565 9.372 1.00 0.00 C ATOM 736 CG ASN A 53 2.063 19.324 10.060 1.00 0.00 C ATOM 737 OD1 ASN A 53 2.802 20.026 9.411 1.00 0.00 O ATOM 738 ND2 ASN A 53 2.236 19.196 11.347 1.00 0.00 N ATOM 0 H ASN A 53 0.591 20.292 11.226 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.005 19.469 9.167 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.099 17.493 9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.964 18.772 8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.998 19.690 11.811 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.609 18.602 11.889 1.00 0.00 H new ATOM 745 N GLU A 54 -1.348 16.758 9.452 1.00 0.00 N ATOM 746 CA GLU A 54 -2.006 15.468 9.805 1.00 0.00 C ATOM 747 C GLU A 54 -0.959 14.354 9.911 1.00 0.00 C ATOM 748 O GLU A 54 -1.285 13.215 10.181 1.00 0.00 O ATOM 749 CB GLU A 54 -3.027 15.106 8.725 1.00 0.00 C ATOM 750 CG GLU A 54 -2.373 15.214 7.346 1.00 0.00 C ATOM 751 CD GLU A 54 -2.788 14.016 6.489 1.00 0.00 C ATOM 752 OE1 GLU A 54 -3.959 13.925 6.161 1.00 0.00 O ATOM 753 OE2 GLU A 54 -1.927 13.211 6.175 1.00 0.00 O ATOM 0 H GLU A 54 -1.099 16.862 8.468 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.509 15.576 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.398 14.093 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.887 15.773 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.673 16.143 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.288 15.244 7.448 1.00 0.00 H new ATOM 760 N ALA A 55 0.290 14.660 9.687 1.00 0.00 N ATOM 761 CA ALA A 55 1.335 13.596 9.764 1.00 0.00 C ATOM 762 C ALA A 55 2.237 13.812 10.983 1.00 0.00 C ATOM 763 O ALA A 55 2.867 12.892 11.465 1.00 0.00 O ATOM 764 CB ALA A 55 2.185 13.627 8.492 1.00 0.00 C ATOM 0 H ALA A 55 0.632 15.593 9.456 1.00 0.00 H new ATOM 0 HA ALA A 55 0.843 12.628 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.949 12.851 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.549 13.450 7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.664 14.602 8.398 1.00 0.00 H new ATOM 770 N PHE A 56 2.314 15.012 11.483 1.00 0.00 N ATOM 771 CA PHE A 56 3.189 15.264 12.666 1.00 0.00 C ATOM 772 C PHE A 56 2.380 15.098 13.951 1.00 0.00 C ATOM 773 O PHE A 56 2.914 14.779 14.995 1.00 0.00 O ATOM 774 CB PHE A 56 3.739 16.684 12.602 1.00 0.00 C ATOM 775 CG PHE A 56 4.822 16.764 11.555 1.00 0.00 C ATOM 776 CD1 PHE A 56 6.135 16.394 11.872 1.00 0.00 C ATOM 777 CD2 PHE A 56 4.518 17.224 10.270 1.00 0.00 C ATOM 778 CE1 PHE A 56 7.140 16.484 10.903 1.00 0.00 C ATOM 779 CE2 PHE A 56 5.523 17.317 9.303 1.00 0.00 C ATOM 780 CZ PHE A 56 6.833 16.947 9.619 1.00 0.00 C ATOM 0 H PHE A 56 1.813 15.827 11.128 1.00 0.00 H new ATOM 0 HA PHE A 56 4.013 14.550 12.659 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.938 17.384 12.364 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.138 16.974 13.574 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.372 16.039 12.864 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.505 17.508 10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.152 16.196 11.146 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.287 17.675 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.609 17.019 8.871 1.00 0.00 H new ATOM 790 N THR A 57 1.096 15.318 13.889 1.00 0.00 N ATOM 791 CA THR A 57 0.261 15.178 15.114 1.00 0.00 C ATOM 792 C THR A 57 0.406 13.760 15.671 1.00 0.00 C ATOM 793 O THR A 57 0.442 13.552 16.868 1.00 0.00 O ATOM 794 CB THR A 57 -1.205 15.438 14.767 1.00 0.00 C ATOM 795 OG1 THR A 57 -1.514 14.803 13.535 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.443 16.943 14.646 1.00 0.00 C ATOM 0 H THR A 57 0.590 15.588 13.045 1.00 0.00 H new ATOM 0 HA THR A 57 0.592 15.900 15.861 1.00 0.00 H new ATOM 0 HB THR A 57 -1.845 15.037 15.553 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.406 14.402 13.589 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.488 17.127 14.399 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.204 17.427 15.593 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.807 17.350 13.860 1.00 0.00 H new ATOM 804 N ASP A 58 0.483 12.782 14.811 1.00 0.00 N ATOM 805 CA ASP A 58 0.619 11.375 15.286 1.00 0.00 C ATOM 806 C ASP A 58 1.863 11.244 16.167 1.00 0.00 C ATOM 807 O ASP A 58 1.773 10.961 17.345 1.00 0.00 O ATOM 808 CB ASP A 58 0.749 10.441 14.080 1.00 0.00 C ATOM 809 CG ASP A 58 -0.251 10.859 13.000 1.00 0.00 C ATOM 810 OD1 ASP A 58 -1.121 11.658 13.304 1.00 0.00 O ATOM 811 OD2 ASP A 58 -0.128 10.374 11.888 1.00 0.00 O ATOM 0 H ASP A 58 0.458 12.896 13.798 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.263 11.104 15.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.764 10.479 13.685 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.563 9.411 14.383 1.00 0.00 H new ATOM 816 N LYS A 59 3.024 11.445 15.606 1.00 0.00 N ATOM 817 CA LYS A 59 4.270 11.327 16.416 1.00 0.00 C ATOM 818 C LYS A 59 4.123 12.150 17.697 1.00 0.00 C ATOM 819 O LYS A 59 4.568 11.754 18.756 1.00 0.00 O ATOM 820 CB LYS A 59 5.457 11.849 15.605 1.00 0.00 C ATOM 821 CG LYS A 59 5.759 10.880 14.460 1.00 0.00 C ATOM 822 CD LYS A 59 5.902 9.462 15.015 1.00 0.00 C ATOM 823 CE LYS A 59 6.784 8.634 14.080 1.00 0.00 C ATOM 824 NZ LYS A 59 7.085 7.320 14.715 1.00 0.00 N ATOM 0 H LYS A 59 3.164 11.685 14.625 1.00 0.00 H new ATOM 0 HA LYS A 59 4.440 10.282 16.674 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.232 12.839 15.208 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.332 11.954 16.247 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.959 10.913 13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.676 11.177 13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.340 9.493 16.013 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.921 8.998 15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.279 8.482 13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.710 9.168 13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.685 6.757 14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.584 7.475 15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.197 6.810 14.895 1.00 0.00 H new ATOM 838 N VAL A 60 3.496 13.292 17.612 1.00 0.00 N ATOM 839 CA VAL A 60 3.317 14.135 18.826 1.00 0.00 C ATOM 840 C VAL A 60 2.632 13.294 19.915 1.00 0.00 C ATOM 841 O VAL A 60 1.975 12.316 19.616 1.00 0.00 O ATOM 842 CB VAL A 60 2.475 15.377 18.452 1.00 0.00 C ATOM 843 CG1 VAL A 60 1.248 15.530 19.364 1.00 0.00 C ATOM 844 CG2 VAL A 60 3.349 16.627 18.577 1.00 0.00 C ATOM 0 H VAL A 60 3.100 13.677 16.754 1.00 0.00 H new ATOM 0 HA VAL A 60 4.277 14.478 19.211 1.00 0.00 H new ATOM 0 HB VAL A 60 2.121 15.251 17.429 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.683 16.414 19.069 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.615 14.647 19.273 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.575 15.637 20.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.763 17.508 18.315 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.706 16.720 19.603 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.201 16.544 17.902 1.00 0.00 H new ATOM 854 N PRO A 61 2.810 13.701 21.146 1.00 0.00 N ATOM 855 CA PRO A 61 2.218 12.997 22.296 1.00 0.00 C ATOM 856 C PRO A 61 0.700 12.891 22.130 1.00 0.00 C ATOM 857 O PRO A 61 0.086 13.665 21.422 1.00 0.00 O ATOM 858 CB PRO A 61 2.578 13.862 23.513 1.00 0.00 C ATOM 859 CG PRO A 61 3.470 15.029 23.013 1.00 0.00 C ATOM 860 CD PRO A 61 3.608 14.892 21.489 1.00 0.00 C ATOM 0 HA PRO A 61 2.591 11.978 22.398 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.676 14.247 23.989 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.106 13.270 24.261 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.024 15.989 23.272 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.449 14.993 23.490 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.236 15.779 20.976 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.650 14.768 21.195 1.00 0.00 H new ATOM 868 N ALA A 62 0.092 11.936 22.778 1.00 0.00 N ATOM 869 CA ALA A 62 -1.384 11.774 22.660 1.00 0.00 C ATOM 870 C ALA A 62 -2.041 12.149 23.986 1.00 0.00 C ATOM 871 O ALA A 62 -2.686 11.340 24.622 1.00 0.00 O ATOM 872 CB ALA A 62 -1.713 10.320 22.325 1.00 0.00 C ATOM 0 H ALA A 62 0.555 11.260 23.385 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.759 12.423 21.868 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.793 10.202 22.239 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.242 10.049 21.380 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.339 9.671 23.117 1.00 0.00 H new ATOM 878 N ALA A 63 -1.873 13.371 24.406 1.00 0.00 N ATOM 879 CA ALA A 63 -2.480 13.815 25.695 1.00 0.00 C ATOM 880 C ALA A 63 -3.892 13.238 25.826 1.00 0.00 C ATOM 881 O ALA A 63 -4.597 13.069 24.852 1.00 0.00 O ATOM 882 CB ALA A 63 -2.552 15.343 25.724 1.00 0.00 C ATOM 0 H ALA A 63 -1.339 14.086 23.911 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.866 13.461 26.523 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.995 15.669 26.665 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.547 15.756 25.634 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.165 15.694 24.894 1.00 0.00 H new ATOM 888 N ASN A 64 -4.306 12.929 27.025 1.00 0.00 N ATOM 889 CA ASN A 64 -5.670 12.359 27.220 1.00 0.00 C ATOM 890 C ASN A 64 -6.704 13.250 26.530 1.00 0.00 C ATOM 891 O ASN A 64 -6.367 14.205 25.859 1.00 0.00 O ATOM 892 CB ASN A 64 -5.985 12.281 28.716 1.00 0.00 C ATOM 893 CG ASN A 64 -5.332 13.459 29.441 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.557 13.270 30.357 1.00 0.00 O ATOM 895 ND2 ASN A 64 -5.613 14.677 29.066 1.00 0.00 N ATOM 0 H ASN A 64 -3.759 13.047 27.878 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.706 11.359 26.787 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.064 12.298 28.872 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.618 11.340 29.126 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.182 15.469 29.542 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.264 14.837 28.297 1.00 0.00 H new ATOM 902 N GLU A 65 -7.962 12.945 26.692 1.00 0.00 N ATOM 903 CA GLU A 65 -9.021 13.772 26.048 1.00 0.00 C ATOM 904 C GLU A 65 -9.556 14.792 27.054 1.00 0.00 C ATOM 905 O GLU A 65 -10.299 15.689 26.708 1.00 0.00 O ATOM 906 CB GLU A 65 -10.164 12.866 25.587 1.00 0.00 C ATOM 907 CG GLU A 65 -11.180 13.688 24.792 1.00 0.00 C ATOM 908 CD GLU A 65 -12.235 12.756 24.193 1.00 0.00 C ATOM 909 OE1 GLU A 65 -11.890 11.629 23.877 1.00 0.00 O ATOM 910 OE2 GLU A 65 -13.369 13.185 24.061 1.00 0.00 O ATOM 0 H GLU A 65 -8.303 12.157 27.243 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.600 14.295 25.189 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.774 12.056 24.971 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.647 12.406 26.449 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.656 14.424 25.441 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.676 14.241 23.999 1.00 0.00 H new ATOM 917 N ARG A 66 -9.185 14.663 28.299 1.00 0.00 N ATOM 918 CA ARG A 66 -9.673 15.626 29.326 1.00 0.00 C ATOM 919 C ARG A 66 -9.440 17.056 28.837 1.00 0.00 C ATOM 920 O ARG A 66 -10.326 17.887 28.872 1.00 0.00 O ATOM 921 CB ARG A 66 -8.913 15.404 30.635 1.00 0.00 C ATOM 922 CG ARG A 66 -8.791 13.903 30.908 1.00 0.00 C ATOM 923 CD ARG A 66 -8.492 13.676 32.391 1.00 0.00 C ATOM 924 NE ARG A 66 -7.097 13.175 32.546 1.00 0.00 N ATOM 925 CZ ARG A 66 -6.521 13.191 33.718 1.00 0.00 C ATOM 926 NH1 ARG A 66 -7.163 13.647 34.760 1.00 0.00 N ATOM 927 NH2 ARG A 66 -5.299 12.750 33.848 1.00 0.00 N ATOM 0 H ARG A 66 -8.565 13.932 28.649 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.739 15.469 29.493 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.922 15.855 30.573 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.435 15.893 31.458 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.715 13.396 30.631 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.997 13.475 30.296 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.619 14.606 32.945 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.196 12.957 32.809 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.591 12.819 31.735 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.118 13.992 34.660 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.710 13.658 35.674 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.796 12.394 33.035 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.847 12.762 34.762 1.00 0.00 H new ATOM 941 N GLU A 67 -8.253 17.351 28.380 1.00 0.00 N ATOM 942 CA GLU A 67 -7.964 18.728 27.889 1.00 0.00 C ATOM 943 C GLU A 67 -8.625 18.931 26.524 1.00 0.00 C ATOM 944 O GLU A 67 -8.865 20.044 26.099 1.00 0.00 O ATOM 945 CB GLU A 67 -6.451 18.916 27.756 1.00 0.00 C ATOM 946 CG GLU A 67 -5.760 18.411 29.024 1.00 0.00 C ATOM 947 CD GLU A 67 -4.243 18.494 28.846 1.00 0.00 C ATOM 948 OE1 GLU A 67 -3.728 17.795 27.989 1.00 0.00 O ATOM 949 OE2 GLU A 67 -3.622 19.254 29.570 1.00 0.00 O ATOM 0 H GLU A 67 -7.471 16.698 28.326 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.359 19.457 28.597 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.081 18.372 26.887 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.217 19.969 27.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.069 19.008 29.882 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.057 17.382 29.228 1.00 0.00 H new ATOM 956 N ILE A 68 -8.922 17.864 25.835 1.00 0.00 N ATOM 957 CA ILE A 68 -9.568 17.994 24.498 1.00 0.00 C ATOM 958 C ILE A 68 -10.990 18.534 24.673 1.00 0.00 C ATOM 959 O ILE A 68 -11.479 19.292 23.860 1.00 0.00 O ATOM 960 CB ILE A 68 -9.614 16.621 23.820 1.00 0.00 C ATOM 961 CG1 ILE A 68 -8.220 16.264 23.297 1.00 0.00 C ATOM 962 CG2 ILE A 68 -10.599 16.654 22.648 1.00 0.00 C ATOM 963 CD1 ILE A 68 -7.200 16.389 24.429 1.00 0.00 C ATOM 0 H ILE A 68 -8.745 16.907 26.140 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.995 18.682 23.877 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.938 15.874 24.545 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.218 15.248 22.902 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.949 16.926 22.475 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.628 15.675 22.169 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.593 16.908 23.015 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.278 17.403 21.924 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.208 16.134 24.055 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.195 17.413 24.803 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.468 15.709 25.237 1.00 0.00 H new ATOM 975 N GLY A 69 -11.656 18.151 25.728 1.00 0.00 N ATOM 976 CA GLY A 69 -13.044 18.645 25.951 1.00 0.00 C ATOM 977 C GLY A 69 -13.052 20.173 25.920 1.00 0.00 C ATOM 978 O GLY A 69 -13.813 20.785 25.197 1.00 0.00 O ATOM 0 H GLY A 69 -11.299 17.518 26.444 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.709 18.252 25.182 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.419 18.288 26.910 1.00 0.00 H new ATOM 982 N MET A 70 -12.209 20.796 26.698 1.00 0.00 N ATOM 983 CA MET A 70 -12.168 22.285 26.709 1.00 0.00 C ATOM 984 C MET A 70 -11.661 22.786 25.356 1.00 0.00 C ATOM 985 O MET A 70 -11.937 23.897 24.950 1.00 0.00 O ATOM 986 CB MET A 70 -11.226 22.763 27.817 1.00 0.00 C ATOM 987 CG MET A 70 -11.816 24.004 28.488 1.00 0.00 C ATOM 988 SD MET A 70 -10.510 24.885 29.381 1.00 0.00 S ATOM 989 CE MET A 70 -11.574 25.691 30.602 1.00 0.00 C ATOM 0 H MET A 70 -11.548 20.338 27.326 1.00 0.00 H new ATOM 0 HA MET A 70 -13.169 22.677 26.892 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.082 21.972 28.553 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.245 22.993 27.401 1.00 0.00 H new ATOM 0 HG2 MET A 70 -12.264 24.657 27.739 1.00 0.00 H new ATOM 0 HG3 MET A 70 -12.611 23.716 29.176 1.00 0.00 H new ATOM 0 HE1 MET A 70 -10.965 26.299 31.271 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.297 26.327 30.091 1.00 0.00 H new ATOM 0 HE3 MET A 70 -12.102 24.933 31.181 1.00 0.00 H new ATOM 999 N LEU A 71 -10.922 21.971 24.653 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.399 22.396 23.325 1.00 0.00 C ATOM 1001 C LEU A 71 -11.425 22.054 22.242 1.00 0.00 C ATOM 1002 O LEU A 71 -11.277 22.425 21.094 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.087 21.665 23.035 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.363 22.354 21.878 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -7.470 23.470 22.426 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -7.500 21.331 21.136 1.00 0.00 C ATOM 0 H LEU A 71 -10.658 21.029 24.942 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.220 23.471 23.331 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.455 21.663 23.923 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.287 20.623 22.784 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.096 22.779 21.192 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.954 23.961 21.601 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.083 24.199 22.956 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.737 23.046 23.112 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.983 21.821 20.311 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.767 20.907 21.822 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.134 20.535 20.745 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.465 21.350 22.597 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.499 20.985 21.588 1.00 0.00 C ATOM 1020 C GLU A 72 -14.431 22.177 21.364 1.00 0.00 C ATOM 1021 O GLU A 72 -14.864 22.439 20.259 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.308 19.790 22.099 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.556 19.608 21.233 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.450 18.528 21.846 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -16.186 17.362 21.607 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -17.384 18.887 22.545 1.00 0.00 O ATOM 0 H GLU A 72 -12.643 21.012 23.543 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.016 20.720 20.647 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.699 18.887 22.071 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.594 19.949 23.139 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.102 20.549 21.161 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.270 19.326 20.219 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.743 22.903 22.403 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.645 24.078 22.247 1.00 0.00 C ATOM 1035 C CYS A 73 -14.818 25.364 22.301 1.00 0.00 C ATOM 1036 O CYS A 73 -15.232 26.356 22.867 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.674 24.085 23.380 1.00 0.00 C ATOM 1038 SG CYS A 73 -17.848 25.437 23.121 1.00 0.00 S ATOM 0 H CYS A 73 -14.412 22.733 23.353 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.161 24.017 21.289 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -17.202 23.132 23.412 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -16.172 24.204 24.340 1.00 0.00 H new ATOM 0 HG CYS A 73 -17.198 26.531 22.854 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.651 25.353 21.717 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.797 26.574 21.736 1.00 0.00 C ATOM 1046 C VAL A 74 -13.503 27.705 20.989 1.00 0.00 C ATOM 1047 O VAL A 74 -14.548 27.518 20.398 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.460 26.272 21.057 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -10.813 25.056 21.722 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.697 25.976 19.575 1.00 0.00 C ATOM 0 H VAL A 74 -13.252 24.552 21.228 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.621 26.876 22.768 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.800 27.134 21.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.860 24.841 21.238 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.644 25.266 22.778 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.473 24.194 21.624 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.745 25.761 19.090 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.357 25.114 19.477 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.158 26.842 19.100 1.00 0.00 H new ATOM 1060 N THR A 75 -12.939 28.880 21.013 1.00 0.00 N ATOM 1061 CA THR A 75 -13.574 30.029 20.308 1.00 0.00 C ATOM 1062 C THR A 75 -13.578 29.772 18.801 1.00 0.00 C ATOM 1063 O THR A 75 -14.191 30.497 18.044 1.00 0.00 O ATOM 1064 CB THR A 75 -12.784 31.307 20.597 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.800 31.566 21.993 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.420 32.481 19.851 1.00 0.00 C ATOM 0 H THR A 75 -12.064 29.095 21.491 1.00 0.00 H new ATOM 0 HA THR A 75 -14.599 30.142 20.661 1.00 0.00 H new ATOM 0 HB THR A 75 -11.754 31.182 20.262 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.287 30.874 22.460 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.857 33.391 20.057 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.407 32.281 18.780 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.450 32.608 20.184 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.898 28.752 18.354 1.00 0.00 N ATOM 1075 CA ALA A 76 -12.873 28.471 16.894 1.00 0.00 C ATOM 1076 C ALA A 76 -13.526 27.118 16.624 1.00 0.00 C ATOM 1077 O ALA A 76 -14.400 26.681 17.346 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.423 28.444 16.406 1.00 0.00 C ATOM 0 H ALA A 76 -12.362 28.106 18.934 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.421 29.250 16.364 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.403 28.238 15.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.956 29.410 16.598 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.875 27.665 16.936 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.095 26.445 15.597 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.662 25.119 15.276 1.00 0.00 C ATOM 1086 C GLU A 77 -12.580 24.089 15.534 1.00 0.00 C ATOM 1087 O GLU A 77 -11.415 24.408 15.483 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.064 25.068 13.804 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.286 26.108 12.991 1.00 0.00 C ATOM 1090 CD GLU A 77 -13.883 26.206 11.586 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.084 26.393 11.486 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -13.129 26.090 10.634 1.00 0.00 O ATOM 0 H GLU A 77 -12.365 26.766 14.961 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.544 24.924 15.886 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.874 24.072 13.405 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.134 25.251 13.708 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.330 27.079 13.485 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.234 25.827 12.932 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.923 22.865 15.801 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.844 21.877 16.044 1.00 0.00 C ATOM 1101 C LEU A 78 -12.039 20.624 15.207 1.00 0.00 C ATOM 1102 O LEU A 78 -13.116 20.071 15.102 1.00 0.00 O ATOM 1103 CB LEU A 78 -11.767 21.500 17.524 1.00 0.00 C ATOM 1104 CG LEU A 78 -10.321 21.112 17.827 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -9.789 21.906 19.018 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -10.229 19.615 18.126 1.00 0.00 C ATOM 0 H LEU A 78 -13.878 22.512 15.861 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.906 22.348 15.749 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.078 22.337 18.149 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.440 20.671 17.744 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.715 21.343 16.951 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.758 21.615 19.218 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.828 22.972 18.792 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.401 21.699 19.896 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.194 19.350 18.341 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.851 19.377 18.989 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.577 19.049 17.262 1.00 0.00 H new ATOM 1118 N LYS A 79 -10.967 20.175 14.628 1.00 0.00 N ATOM 1119 CA LYS A 79 -10.988 18.952 13.796 1.00 0.00 C ATOM 1120 C LYS A 79 -10.057 17.940 14.476 1.00 0.00 C ATOM 1121 O LYS A 79 -9.370 18.282 15.415 1.00 0.00 O ATOM 1122 CB LYS A 79 -10.500 19.300 12.377 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.824 20.764 12.053 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.428 20.851 10.650 1.00 0.00 C ATOM 1125 CE LYS A 79 -10.833 22.052 9.911 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.587 23.284 10.277 1.00 0.00 N ATOM 0 H LYS A 79 -10.052 20.620 14.701 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.990 18.532 13.706 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.426 19.132 12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.977 18.644 11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.523 21.165 12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.920 21.370 12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.225 19.934 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.512 20.951 10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.780 22.167 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.881 21.890 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.183 24.100 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.586 23.172 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.519 23.440 11.303 1.00 0.00 H new ATOM 1140 N PRO A 80 -10.070 16.728 14.003 1.00 0.00 N ATOM 1141 CA PRO A 80 -9.238 15.648 14.571 1.00 0.00 C ATOM 1142 C PRO A 80 -7.751 16.023 14.541 1.00 0.00 C ATOM 1143 O PRO A 80 -6.922 15.346 15.116 1.00 0.00 O ATOM 1144 CB PRO A 80 -9.507 14.437 13.666 1.00 0.00 C ATOM 1145 CG PRO A 80 -10.538 14.871 12.592 1.00 0.00 C ATOM 1146 CD PRO A 80 -10.909 16.336 12.869 1.00 0.00 C ATOM 0 HA PRO A 80 -9.481 15.451 15.615 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.584 14.099 13.195 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.892 13.601 14.250 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.117 14.765 11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.424 14.237 12.633 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.716 16.964 11.999 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.968 16.437 13.107 1.00 0.00 H new ATOM 1154 N ASN A 81 -7.401 17.080 13.861 1.00 0.00 N ATOM 1155 CA ASN A 81 -5.962 17.471 13.783 1.00 0.00 C ATOM 1156 C ASN A 81 -5.658 18.684 14.679 1.00 0.00 C ATOM 1157 O ASN A 81 -4.635 19.322 14.530 1.00 0.00 O ATOM 1158 CB ASN A 81 -5.617 17.820 12.336 1.00 0.00 C ATOM 1159 CG ASN A 81 -4.423 16.981 11.890 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -4.330 16.595 10.742 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -3.498 16.680 12.759 1.00 0.00 N ATOM 0 H ASN A 81 -8.046 17.689 13.357 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.361 16.631 14.131 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.473 17.629 11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.383 18.881 12.251 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.695 16.119 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.578 17.005 13.722 1.00 0.00 H new ATOM 1168 N SER A 82 -6.517 19.010 15.606 1.00 0.00 N ATOM 1169 CA SER A 82 -6.238 20.181 16.492 1.00 0.00 C ATOM 1170 C SER A 82 -5.698 19.702 17.837 1.00 0.00 C ATOM 1171 O SER A 82 -5.860 18.558 18.212 1.00 0.00 O ATOM 1172 CB SER A 82 -7.515 20.967 16.718 1.00 0.00 C ATOM 1173 OG SER A 82 -8.272 20.966 15.520 1.00 0.00 O ATOM 0 H SER A 82 -7.394 18.522 15.789 1.00 0.00 H new ATOM 0 HA SER A 82 -5.496 20.818 16.011 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.092 20.523 17.529 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.281 21.989 17.015 1.00 0.00 H new ATOM 0 HG SER A 82 -7.802 21.487 14.836 1.00 0.00 H new ATOM 1179 N ARG A 83 -5.059 20.573 18.570 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.512 20.169 19.894 1.00 0.00 C ATOM 1181 C ARG A 83 -4.234 21.419 20.728 1.00 0.00 C ATOM 1182 O ARG A 83 -4.684 22.502 20.411 1.00 0.00 O ATOM 1183 CB ARG A 83 -3.212 19.387 19.694 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.471 17.897 19.931 1.00 0.00 C ATOM 1185 CD ARG A 83 -2.209 17.241 20.494 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.133 17.490 21.961 1.00 0.00 N ATOM 1187 CZ ARG A 83 -1.308 16.799 22.701 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -0.537 15.895 22.158 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -1.251 17.014 23.987 1.00 0.00 N ATOM 0 H ARG A 83 -4.893 21.545 18.309 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.236 19.539 20.411 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.832 19.545 18.685 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.448 19.748 20.383 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.301 17.768 20.625 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.758 17.414 18.997 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.224 16.169 20.296 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.325 17.644 20.000 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.726 18.201 22.388 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.578 15.727 21.153 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.106 15.357 22.739 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.850 17.721 24.413 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.607 16.475 24.566 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.485 21.280 21.785 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.167 22.462 22.631 1.00 0.00 C ATOM 1205 C LEU A 84 -1.722 22.886 22.366 1.00 0.00 C ATOM 1206 O LEU A 84 -0.820 22.075 22.373 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.330 22.095 24.108 1.00 0.00 C ATOM 1208 CG LEU A 84 -4.759 21.612 24.359 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -4.746 20.114 24.670 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.352 22.373 25.547 1.00 0.00 C ATOM 0 H LEU A 84 -3.079 20.399 22.100 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.844 23.282 22.389 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.618 21.316 24.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.112 22.960 24.735 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.364 21.793 23.471 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.765 19.771 24.849 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.323 19.571 23.825 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.141 19.932 25.558 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.371 22.030 25.727 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.746 22.192 26.434 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.362 23.440 25.327 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.494 24.147 22.126 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.104 24.611 21.857 1.00 0.00 C ATOM 1224 C CYS A 85 0.737 24.459 23.126 1.00 0.00 C ATOM 1225 O CYS A 85 1.944 24.598 23.103 1.00 0.00 O ATOM 1226 CB CYS A 85 -0.130 26.082 21.435 1.00 0.00 C ATOM 1227 SG CYS A 85 1.133 26.368 20.170 1.00 0.00 S ATOM 0 H CYS A 85 -2.208 24.875 22.104 1.00 0.00 H new ATOM 0 HA CYS A 85 0.332 24.012 21.058 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.115 26.343 21.047 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.052 26.722 22.298 1.00 0.00 H new ATOM 0 HG CYS A 85 1.325 25.275 19.493 1.00 0.00 H new ATOM 1233 N CYS A 86 0.108 24.177 24.234 1.00 0.00 N ATOM 1234 CA CYS A 86 0.869 24.019 25.505 1.00 0.00 C ATOM 1235 C CYS A 86 0.854 22.552 25.939 1.00 0.00 C ATOM 1236 O CYS A 86 1.160 22.228 27.069 1.00 0.00 O ATOM 1237 CB CYS A 86 0.215 24.869 26.594 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.409 24.177 26.993 1.00 0.00 S ATOM 0 H CYS A 86 -0.901 24.049 24.314 1.00 0.00 H new ATOM 0 HA CYS A 86 1.899 24.341 25.350 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.844 24.888 27.484 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.111 25.900 26.255 1.00 0.00 H new ATOM 1243 N GLN A 87 0.494 21.661 25.057 1.00 0.00 N ATOM 1244 CA GLN A 87 0.454 20.220 25.434 1.00 0.00 C ATOM 1245 C GLN A 87 1.168 19.383 24.371 1.00 0.00 C ATOM 1246 O GLN A 87 1.268 18.177 24.483 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.002 19.765 25.548 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.084 18.538 26.458 1.00 0.00 C ATOM 1249 CD GLN A 87 -0.820 18.957 27.905 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -1.493 19.820 28.433 1.00 0.00 O ATOM 1251 NE2 GLN A 87 0.140 18.379 28.574 1.00 0.00 N ATOM 0 H GLN A 87 0.227 21.867 24.095 1.00 0.00 H new ATOM 0 HA GLN A 87 0.957 20.086 26.392 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.615 20.571 25.951 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.398 19.526 24.561 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.068 18.076 26.376 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -0.354 17.791 26.146 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.705 17.654 28.132 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.325 18.652 29.539 1.00 0.00 H new ATOM 1260 N ILE A 88 1.671 20.007 23.341 1.00 0.00 N ATOM 1261 CA ILE A 88 2.381 19.234 22.282 1.00 0.00 C ATOM 1262 C ILE A 88 3.886 19.313 22.534 1.00 0.00 C ATOM 1263 O ILE A 88 4.390 20.300 23.031 1.00 0.00 O ATOM 1264 CB ILE A 88 2.072 19.805 20.891 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.908 20.800 20.970 1.00 0.00 C ATOM 1266 CG2 ILE A 88 1.693 18.661 19.948 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.417 21.129 19.559 1.00 0.00 C ATOM 0 H ILE A 88 1.622 21.014 23.187 1.00 0.00 H new ATOM 0 HA ILE A 88 2.043 18.198 22.316 1.00 0.00 H new ATOM 0 HB ILE A 88 2.956 20.321 20.516 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.094 20.377 21.560 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.229 21.711 21.476 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.473 19.063 18.959 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.523 17.958 19.878 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.813 18.147 20.335 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.410 21.836 19.617 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.231 21.570 18.984 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.080 20.216 19.069 1.00 0.00 H new ATOM 1279 N ILE A 89 4.606 18.279 22.204 1.00 0.00 N ATOM 1280 CA ILE A 89 6.068 18.290 22.433 1.00 0.00 C ATOM 1281 C ILE A 89 6.801 18.082 21.107 1.00 0.00 C ATOM 1282 O ILE A 89 6.219 17.682 20.118 1.00 0.00 O ATOM 1283 CB ILE A 89 6.423 17.156 23.390 1.00 0.00 C ATOM 1284 CG1 ILE A 89 5.847 17.448 24.781 1.00 0.00 C ATOM 1285 CG2 ILE A 89 7.937 17.033 23.479 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.113 18.907 25.156 1.00 0.00 C ATOM 0 H ILE A 89 4.239 17.425 21.784 1.00 0.00 H new ATOM 0 HA ILE A 89 6.366 19.248 22.859 1.00 0.00 H new ATOM 0 HB ILE A 89 6.000 16.222 23.020 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.775 17.250 24.790 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.299 16.785 25.519 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.197 16.224 24.162 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.343 16.818 22.491 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.357 17.969 23.849 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.702 19.109 26.145 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.187 19.090 25.165 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.640 19.563 24.425 1.00 0.00 H new ATOM 1298 N MET A 90 8.077 18.348 21.082 1.00 0.00 N ATOM 1299 CA MET A 90 8.857 18.164 19.828 1.00 0.00 C ATOM 1300 C MET A 90 10.015 17.203 20.089 1.00 0.00 C ATOM 1301 O MET A 90 11.099 17.605 20.461 1.00 0.00 O ATOM 1302 CB MET A 90 9.417 19.507 19.369 1.00 0.00 C ATOM 1303 CG MET A 90 9.454 19.557 17.840 1.00 0.00 C ATOM 1304 SD MET A 90 10.224 18.049 17.196 1.00 0.00 S ATOM 1305 CE MET A 90 9.538 18.142 15.524 1.00 0.00 C ATOM 0 H MET A 90 8.615 18.686 21.880 1.00 0.00 H new ATOM 0 HA MET A 90 8.205 17.758 19.055 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.800 20.319 19.754 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.420 19.650 19.771 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.443 19.657 17.446 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.013 20.432 17.509 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.178 17.589 14.837 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.538 17.708 15.516 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.484 19.185 15.210 1.00 0.00 H new ATOM 1315 N THR A 91 9.792 15.938 19.895 1.00 0.00 N ATOM 1316 CA THR A 91 10.877 14.945 20.129 1.00 0.00 C ATOM 1317 C THR A 91 11.699 14.781 18.846 1.00 0.00 C ATOM 1318 O THR A 91 11.255 15.151 17.778 1.00 0.00 O ATOM 1319 CB THR A 91 10.261 13.599 20.518 1.00 0.00 C ATOM 1320 OG1 THR A 91 8.953 13.504 19.970 1.00 0.00 O ATOM 1321 CG2 THR A 91 10.187 13.491 22.042 1.00 0.00 C ATOM 0 H THR A 91 8.904 15.545 19.584 1.00 0.00 H new ATOM 0 HA THR A 91 11.524 15.293 20.934 1.00 0.00 H new ATOM 0 HB THR A 91 10.879 12.790 20.129 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.438 12.834 20.466 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.748 12.532 22.318 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.190 13.565 22.461 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.570 14.299 22.434 1.00 0.00 H new ATOM 1329 N PRO A 92 12.877 14.229 18.992 1.00 0.00 N ATOM 1330 CA PRO A 92 13.784 14.004 17.853 1.00 0.00 C ATOM 1331 C PRO A 92 13.111 13.109 16.809 1.00 0.00 C ATOM 1332 O PRO A 92 13.564 12.998 15.687 1.00 0.00 O ATOM 1333 CB PRO A 92 15.011 13.309 18.458 1.00 0.00 C ATOM 1334 CG PRO A 92 14.780 13.190 19.986 1.00 0.00 C ATOM 1335 CD PRO A 92 13.398 13.786 20.298 1.00 0.00 C ATOM 0 HA PRO A 92 14.052 14.930 17.345 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.149 12.323 18.014 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.915 13.881 18.251 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.826 12.147 20.300 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.558 13.722 20.533 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.742 13.046 20.755 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.475 14.619 20.997 1.00 0.00 H new ATOM 1343 N GLU A 93 12.030 12.470 17.168 1.00 0.00 N ATOM 1344 CA GLU A 93 11.330 11.586 16.195 1.00 0.00 C ATOM 1345 C GLU A 93 10.653 12.444 15.123 1.00 0.00 C ATOM 1346 O GLU A 93 10.748 12.170 13.944 1.00 0.00 O ATOM 1347 CB GLU A 93 10.272 10.757 16.927 1.00 0.00 C ATOM 1348 CG GLU A 93 9.140 11.673 17.396 1.00 0.00 C ATOM 1349 CD GLU A 93 8.211 10.899 18.333 1.00 0.00 C ATOM 1350 OE1 GLU A 93 8.398 9.700 18.463 1.00 0.00 O ATOM 1351 OE2 GLU A 93 7.328 11.517 18.904 1.00 0.00 O ATOM 0 H GLU A 93 11.603 12.523 18.093 1.00 0.00 H new ATOM 0 HA GLU A 93 12.053 10.919 15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.879 9.985 16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.720 10.248 17.781 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.551 12.542 17.910 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.580 12.045 16.538 1.00 0.00 H new ATOM 1358 N LEU A 94 9.973 13.483 15.524 1.00 0.00 N ATOM 1359 CA LEU A 94 9.293 14.359 14.528 1.00 0.00 C ATOM 1360 C LEU A 94 10.321 15.288 13.881 1.00 0.00 C ATOM 1361 O LEU A 94 11.251 15.738 14.520 1.00 0.00 O ATOM 1362 CB LEU A 94 8.224 15.198 15.232 1.00 0.00 C ATOM 1363 CG LEU A 94 6.975 14.347 15.462 1.00 0.00 C ATOM 1364 CD1 LEU A 94 6.789 14.108 16.962 1.00 0.00 C ATOM 1365 CD2 LEU A 94 5.750 15.080 14.909 1.00 0.00 C ATOM 0 H LEU A 94 9.859 13.763 16.498 1.00 0.00 H new ATOM 0 HA LEU A 94 8.825 13.741 13.761 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.605 15.567 16.184 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.976 16.071 14.628 1.00 0.00 H new ATOM 0 HG LEU A 94 7.089 13.390 14.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.898 13.501 17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.661 13.587 17.358 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.675 15.065 17.472 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.859 14.474 15.072 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.637 16.036 15.420 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.881 15.252 13.841 1.00 0.00 H new ATOM 1377 N ASP A 95 10.163 15.582 12.620 1.00 0.00 N ATOM 1378 CA ASP A 95 11.134 16.485 11.941 1.00 0.00 C ATOM 1379 C ASP A 95 10.408 17.320 10.886 1.00 0.00 C ATOM 1380 O ASP A 95 9.787 16.795 9.983 1.00 0.00 O ATOM 1381 CB ASP A 95 12.228 15.650 11.270 1.00 0.00 C ATOM 1382 CG ASP A 95 11.584 14.551 10.423 1.00 0.00 C ATOM 1383 OD1 ASP A 95 11.289 13.503 10.973 1.00 0.00 O ATOM 1384 OD2 ASP A 95 11.397 14.776 9.239 1.00 0.00 O ATOM 0 H ASP A 95 9.405 15.237 12.031 1.00 0.00 H new ATOM 0 HA ASP A 95 11.586 17.149 12.678 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.854 16.286 10.644 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.878 15.208 12.025 1.00 0.00 H new ATOM 1389 N GLY A 96 10.475 18.618 10.996 1.00 0.00 N ATOM 1390 CA GLY A 96 9.782 19.485 10.003 1.00 0.00 C ATOM 1391 C GLY A 96 8.282 19.465 10.291 1.00 0.00 C ATOM 1392 O GLY A 96 7.466 19.431 9.392 1.00 0.00 O ATOM 0 H GLY A 96 10.979 19.115 11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.164 20.504 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.976 19.129 8.991 1.00 0.00 H new ATOM 1396 N ILE A 97 7.915 19.482 11.543 1.00 0.00 N ATOM 1397 CA ILE A 97 6.470 19.459 11.897 1.00 0.00 C ATOM 1398 C ILE A 97 5.882 20.856 11.700 1.00 0.00 C ATOM 1399 O ILE A 97 6.467 21.842 12.101 1.00 0.00 O ATOM 1400 CB ILE A 97 6.314 19.032 13.363 1.00 0.00 C ATOM 1401 CG1 ILE A 97 4.845 19.195 13.804 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.236 19.880 14.244 1.00 0.00 C ATOM 1403 CD1 ILE A 97 4.590 20.595 14.383 1.00 0.00 C ATOM 0 H ILE A 97 8.555 19.511 12.336 1.00 0.00 H new ATOM 0 HA ILE A 97 5.943 18.751 11.257 1.00 0.00 H new ATOM 0 HB ILE A 97 6.592 17.983 13.468 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.186 19.025 12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.601 18.440 14.551 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.125 19.576 15.285 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.271 19.736 13.932 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.970 20.932 14.142 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.546 20.679 14.685 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.232 20.753 15.250 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.811 21.348 13.626 1.00 0.00 H new ATOM 1415 N VAL A 98 4.733 20.959 11.085 1.00 0.00 N ATOM 1416 CA VAL A 98 4.138 22.306 10.875 1.00 0.00 C ATOM 1417 C VAL A 98 2.944 22.501 11.807 1.00 0.00 C ATOM 1418 O VAL A 98 1.898 21.911 11.626 1.00 0.00 O ATOM 1419 CB VAL A 98 3.659 22.445 9.431 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.627 23.925 9.048 1.00 0.00 C ATOM 1421 CG2 VAL A 98 4.613 21.698 8.491 1.00 0.00 C ATOM 0 H VAL A 98 4.188 20.176 10.724 1.00 0.00 H new ATOM 0 HA VAL A 98 4.899 23.057 11.087 1.00 0.00 H new ATOM 0 HB VAL A 98 2.660 22.019 9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.286 24.027 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.945 24.458 9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.628 24.347 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.266 21.801 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.615 22.119 8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.638 20.642 8.761 1.00 0.00 H new ATOM 1431 N VAL A 99 3.080 23.352 12.783 1.00 0.00 N ATOM 1432 CA VAL A 99 1.942 23.617 13.700 1.00 0.00 C ATOM 1433 C VAL A 99 1.305 24.930 13.260 1.00 0.00 C ATOM 1434 O VAL A 99 1.977 25.813 12.768 1.00 0.00 O ATOM 1435 CB VAL A 99 2.426 23.727 15.151 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.212 22.388 15.857 1.00 0.00 C ATOM 1437 CG2 VAL A 99 3.915 24.085 15.186 1.00 0.00 C ATOM 0 H VAL A 99 3.932 23.876 12.985 1.00 0.00 H new ATOM 0 HA VAL A 99 1.223 22.799 13.657 1.00 0.00 H new ATOM 0 HB VAL A 99 1.860 24.509 15.657 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.555 22.462 16.889 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.152 22.135 15.844 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.777 21.611 15.342 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.247 24.160 16.222 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.488 23.310 14.677 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.071 25.040 14.685 1.00 0.00 H new ATOM 1447 N ASP A 100 0.022 25.066 13.399 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.625 26.327 12.950 1.00 0.00 C ATOM 1449 C ASP A 100 -1.361 26.984 14.110 1.00 0.00 C ATOM 1450 O ASP A 100 -1.465 26.439 15.190 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.622 26.024 11.829 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.974 25.105 10.790 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.187 24.774 10.962 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -1.651 24.748 9.840 1.00 0.00 O ATOM 0 H ASP A 100 -0.604 24.368 13.800 1.00 0.00 H new ATOM 0 HA ASP A 100 0.146 27.005 12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.513 25.550 12.241 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.944 26.952 11.356 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.877 28.157 13.884 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.621 28.862 14.967 1.00 0.00 C ATOM 1461 C VAL A 101 -4.117 28.843 14.630 1.00 0.00 C ATOM 1462 O VAL A 101 -4.491 28.901 13.476 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.106 30.312 15.090 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.056 31.160 15.941 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.724 30.299 15.746 1.00 0.00 C ATOM 0 H VAL A 101 -1.817 28.660 12.998 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.463 28.361 15.922 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.050 30.747 14.092 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.671 32.177 16.012 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.042 31.177 15.477 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.132 30.730 16.940 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.354 31.320 15.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.796 29.851 16.737 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.036 29.717 15.133 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.927 28.742 15.655 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.392 28.688 15.504 1.00 0.00 C ATOM 1477 C PRO A 102 -6.908 29.828 14.629 1.00 0.00 C ATOM 1478 O PRO A 102 -6.258 30.838 14.467 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.937 28.835 16.919 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.732 28.758 17.890 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.455 28.679 17.049 1.00 0.00 C ATOM 0 HA PRO A 102 -6.706 27.762 15.022 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.461 29.784 17.032 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.657 28.046 17.137 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.708 29.634 18.539 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.818 27.885 18.536 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.778 29.503 17.277 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.909 27.755 17.242 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.086 29.687 14.085 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.650 30.780 13.247 1.00 0.00 C ATOM 1491 C ASP A 103 -9.121 31.906 14.167 1.00 0.00 C ATOM 1492 O ASP A 103 -9.361 33.018 13.740 1.00 0.00 O ATOM 1493 CB ASP A 103 -9.829 30.254 12.429 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.513 30.380 10.937 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -8.760 29.558 10.440 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.028 31.296 10.318 1.00 0.00 O ATOM 0 H ASP A 103 -8.680 28.864 14.185 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.888 31.152 12.562 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.025 29.212 12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.731 30.816 12.669 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.236 31.622 15.433 1.00 0.00 N ATOM 1502 CA ARG A 104 -9.669 32.664 16.404 1.00 0.00 C ATOM 1503 C ARG A 104 -8.562 32.854 17.442 1.00 0.00 C ATOM 1504 O ARG A 104 -7.422 32.504 17.213 1.00 0.00 O ATOM 1505 CB ARG A 104 -10.955 32.223 17.107 1.00 0.00 C ATOM 1506 CG ARG A 104 -12.075 33.215 16.777 1.00 0.00 C ATOM 1507 CD ARG A 104 -13.132 32.542 15.897 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.493 31.494 15.053 1.00 0.00 N ATOM 1509 CZ ARG A 104 -13.233 30.590 14.465 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -14.534 30.631 14.577 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -12.673 29.644 13.762 1.00 0.00 N ATOM 0 H ARG A 104 -9.047 30.706 15.840 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.858 33.600 15.878 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.234 31.220 16.784 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.798 32.179 18.185 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.534 33.577 17.697 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.662 34.083 16.264 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.908 32.097 16.520 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.618 33.285 15.265 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.480 31.481 14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.976 31.370 15.124 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.108 29.924 14.117 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.658 29.609 13.671 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.251 28.939 13.304 1.00 0.00 H new ATOM 1525 N GLN A 105 -8.882 33.397 18.584 1.00 0.00 N ATOM 1526 CA GLN A 105 -7.834 33.591 19.624 1.00 0.00 C ATOM 1527 C GLN A 105 -8.491 33.757 20.997 1.00 0.00 C ATOM 1528 O GLN A 105 -7.946 34.387 21.882 1.00 0.00 O ATOM 1529 CB GLN A 105 -7.016 34.842 19.296 1.00 0.00 C ATOM 1530 CG GLN A 105 -7.889 36.085 19.473 1.00 0.00 C ATOM 1531 CD GLN A 105 -7.029 37.340 19.312 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -7.343 38.380 19.858 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -5.950 37.288 18.581 1.00 0.00 N ATOM 0 H GLN A 105 -9.817 33.713 18.841 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.179 32.720 19.642 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.145 34.901 19.948 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.645 34.788 18.273 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -8.693 36.085 18.737 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.358 36.076 20.457 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.686 36.416 18.123 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.370 38.119 18.468 1.00 0.00 H new ATOM 1542 N TRP A 106 -9.656 33.194 21.184 1.00 0.00 N ATOM 1543 CA TRP A 106 -10.343 33.318 22.501 1.00 0.00 C ATOM 1544 C TRP A 106 -10.214 34.754 23.016 1.00 0.00 C ATOM 1545 O TRP A 106 -9.953 34.918 24.197 1.00 0.00 O ATOM 1546 CB TRP A 106 -9.702 32.356 23.503 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.601 31.180 23.707 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.336 29.918 23.298 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -11.902 31.133 24.360 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.391 29.100 23.659 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.381 29.802 24.317 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -12.704 32.107 24.980 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -13.613 29.450 24.869 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -13.945 31.757 25.537 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -14.398 30.431 25.482 1.00 0.00 C ATOM 1556 OXT TRP A 106 -10.378 35.664 22.221 1.00 0.00 O ATOM 0 H TRP A 106 -10.160 32.654 20.481 1.00 0.00 H new ATOM 0 HA TRP A 106 -11.398 33.071 22.383 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.730 32.026 23.136 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -9.529 32.864 24.452 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.446 29.601 22.775 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.433 28.100 23.463 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -12.364 33.131 25.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -13.958 28.427 24.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -14.554 32.513 26.010 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -15.353 30.168 25.913 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.070 27.114 27.832 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -2.973 25.414 26.073 1.00 0.00 FE HETATM 1570 S1 FES A 107 -4.754 25.086 27.321 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.359 27.484 26.501 1.00 0.00 S