USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 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 49 HIS : no HE2:sc= -43! C(o=-43!,f=-43!) USER MOD Set 1.2: A 51 TYR OH : rot 74:sc= 0.38 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= -0.0083 USER MOD Set 2.2: A 8 HIS : no HD1:sc= -0.345! C(o=0.21!,f=-9.2!) USER MOD Set 2.3: A 105 GLN : amide:sc= 0.561 K(o=0.21,f=-5.3!) USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.788 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.194 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 124:sc= -1.92! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.564 K(o=-0.56,f=-3.5!) USER MOD Single : A 22 SER OG : rot 23:sc= 1.03 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.4!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 6:sc= 0.486 USER MOD Single : A 47 THR OG1 : rot 123:sc= -3.8! USER MOD Single : A 53 ASN : amide:sc= -3.27 K(o=-3.3,f=-5.3!) USER MOD Single : A 57 THR OG1 : rot -91:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.43) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 20:sc= 1.39 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -7.2! K(o=-7.2!,f=-1.3) USER MOD Single : A 82 SER OG : rot -93:sc= 1.24! USER MOD Single : A 85 CYS SG : rot -39:sc= -4.05! USER MOD Single : A 87 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 90 MET CE :methyl -151:sc= -5.97! (180deg=-8.15!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.971 18.424 15.624 1.00 0.00 N ATOM 2 CA SER A 1 14.553 18.516 15.176 1.00 0.00 C ATOM 3 C SER A 1 14.276 19.919 14.638 1.00 0.00 C ATOM 4 O SER A 1 15.117 20.794 14.686 1.00 0.00 O ATOM 5 CB SER A 1 13.623 18.234 16.355 1.00 0.00 C ATOM 6 OG SER A 1 14.399 17.878 17.492 1.00 0.00 O ATOM 0 H1 SER A 1 16.450 17.660 15.106 1.00 0.00 H new ATOM 0 H2 SER A 1 16.454 19.326 15.436 1.00 0.00 H new ATOM 0 H3 SER A 1 16.000 18.222 16.644 1.00 0.00 H new ATOM 0 HA SER A 1 14.376 17.782 14.390 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.018 19.114 16.574 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.934 17.428 16.104 1.00 0.00 H new ATOM 0 HG SER A 1 13.805 17.698 18.250 1.00 0.00 H new ATOM 14 N LYS A 2 13.097 20.136 14.129 1.00 0.00 N ATOM 15 CA LYS A 2 12.751 21.480 13.587 1.00 0.00 C ATOM 16 C LYS A 2 11.273 21.758 13.853 1.00 0.00 C ATOM 17 O LYS A 2 10.475 20.850 13.979 1.00 0.00 O ATOM 18 CB LYS A 2 13.012 21.506 12.079 1.00 0.00 C ATOM 19 CG LYS A 2 13.737 22.801 11.709 1.00 0.00 C ATOM 20 CD LYS A 2 12.811 23.684 10.869 1.00 0.00 C ATOM 21 CE LYS A 2 13.647 24.553 9.928 1.00 0.00 C ATOM 22 NZ LYS A 2 14.020 23.762 8.721 1.00 0.00 N ATOM 0 H LYS A 2 12.355 19.439 14.064 1.00 0.00 H new ATOM 0 HA LYS A 2 13.363 22.241 14.071 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.613 20.644 11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.070 21.436 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.041 23.331 12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.646 22.575 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.124 23.064 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.204 24.314 11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.082 25.438 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.544 24.902 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.588 24.353 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.574 22.930 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.158 23.450 8.230 1.00 0.00 H new ATOM 36 N VAL A 3 10.899 23.002 13.953 1.00 0.00 N ATOM 37 CA VAL A 3 9.476 23.321 14.226 1.00 0.00 C ATOM 38 C VAL A 3 9.110 24.657 13.575 1.00 0.00 C ATOM 39 O VAL A 3 9.705 25.677 13.844 1.00 0.00 O ATOM 40 CB VAL A 3 9.279 23.359 15.750 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.351 24.503 16.185 1.00 0.00 C ATOM 42 CG2 VAL A 3 8.673 22.029 16.176 1.00 0.00 C ATOM 0 H VAL A 3 11.517 23.808 13.857 1.00 0.00 H new ATOM 0 HA VAL A 3 8.818 22.563 13.801 1.00 0.00 H new ATOM 0 HB VAL A 3 10.246 23.529 16.224 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.241 24.490 17.269 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.779 25.456 15.875 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.373 24.375 15.720 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.522 22.027 17.255 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.715 21.889 15.675 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.348 21.218 15.903 1.00 0.00 H new ATOM 52 N VAL A 4 8.119 24.650 12.731 1.00 0.00 N ATOM 53 CA VAL A 4 7.693 25.914 12.065 1.00 0.00 C ATOM 54 C VAL A 4 6.208 26.138 12.347 1.00 0.00 C ATOM 55 O VAL A 4 5.406 25.244 12.200 1.00 0.00 O ATOM 56 CB VAL A 4 7.918 25.802 10.557 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.717 27.171 9.906 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.345 25.316 10.290 1.00 0.00 C ATOM 0 H VAL A 4 7.583 23.822 12.472 1.00 0.00 H new ATOM 0 HA VAL A 4 8.276 26.751 12.449 1.00 0.00 H new ATOM 0 HB VAL A 4 7.206 25.092 10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.878 27.090 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.702 27.519 10.096 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.428 27.882 10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.507 25.236 9.215 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.056 26.026 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.489 24.340 10.753 1.00 0.00 H new ATOM 68 N TYR A 5 5.830 27.318 12.753 1.00 0.00 N ATOM 69 CA TYR A 5 4.391 27.568 13.045 1.00 0.00 C ATOM 70 C TYR A 5 3.747 28.287 11.865 1.00 0.00 C ATOM 71 O TYR A 5 4.401 28.987 11.121 1.00 0.00 O ATOM 72 CB TYR A 5 4.237 28.474 14.270 1.00 0.00 C ATOM 73 CG TYR A 5 4.892 27.876 15.496 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.257 27.561 15.497 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.129 27.666 16.650 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.852 27.033 16.648 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.727 27.143 17.800 1.00 0.00 C ATOM 78 CZ TYR A 5 6.087 26.825 17.799 1.00 0.00 C ATOM 79 OH TYR A 5 6.676 26.314 18.937 1.00 0.00 O ATOM 0 H TYR A 5 6.450 28.115 12.895 1.00 0.00 H new ATOM 0 HA TYR A 5 3.914 26.605 13.228 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.679 29.448 14.060 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.178 28.641 14.468 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.850 27.726 14.609 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.077 27.908 16.652 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.903 26.786 16.647 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.137 26.985 18.690 1.00 0.00 H new ATOM 0 HH TYR A 5 6.529 26.929 19.686 1.00 0.00 H new ATOM 89 N VAL A 6 2.463 28.147 11.712 1.00 0.00 N ATOM 90 CA VAL A 6 1.767 28.860 10.605 1.00 0.00 C ATOM 91 C VAL A 6 0.685 29.751 11.193 1.00 0.00 C ATOM 92 O VAL A 6 0.320 29.631 12.345 1.00 0.00 O ATOM 93 CB VAL A 6 1.097 27.875 9.650 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.655 28.623 8.385 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.079 26.766 9.289 1.00 0.00 C ATOM 0 H VAL A 6 1.864 27.571 12.304 1.00 0.00 H new ATOM 0 HA VAL A 6 2.508 29.443 10.058 1.00 0.00 H new ATOM 0 HB VAL A 6 0.224 27.430 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.176 27.925 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.050 29.409 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.525 29.067 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.600 26.063 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.956 27.199 8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.385 26.242 10.194 1.00 0.00 H new ATOM 105 N SER A 7 0.148 30.621 10.399 1.00 0.00 N ATOM 106 CA SER A 7 -0.932 31.499 10.879 1.00 0.00 C ATOM 107 C SER A 7 -2.117 31.305 9.946 1.00 0.00 C ATOM 108 O SER A 7 -1.972 30.808 8.848 1.00 0.00 O ATOM 109 CB SER A 7 -0.472 32.957 10.837 1.00 0.00 C ATOM 110 OG SER A 7 -1.513 33.792 11.328 1.00 0.00 O ATOM 0 H SER A 7 0.417 30.761 9.425 1.00 0.00 H new ATOM 0 HA SER A 7 -1.203 31.255 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.427 33.084 11.440 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.214 33.240 9.816 1.00 0.00 H new ATOM 0 HG SER A 7 -1.221 34.727 11.304 1.00 0.00 H new ATOM 116 N HIS A 8 -3.284 31.682 10.354 1.00 0.00 N ATOM 117 CA HIS A 8 -4.453 31.506 9.451 1.00 0.00 C ATOM 118 C HIS A 8 -4.267 32.388 8.209 1.00 0.00 C ATOM 119 O HIS A 8 -5.032 32.314 7.267 1.00 0.00 O ATOM 120 CB HIS A 8 -5.763 31.877 10.163 1.00 0.00 C ATOM 121 CG HIS A 8 -5.543 32.980 11.164 1.00 0.00 C ATOM 122 ND1 HIS A 8 -4.483 33.867 11.079 1.00 0.00 N ATOM 123 CD2 HIS A 8 -6.259 33.358 12.273 1.00 0.00 C ATOM 124 CE1 HIS A 8 -4.590 34.728 12.108 1.00 0.00 C ATOM 125 NE2 HIS A 8 -5.656 34.462 12.867 1.00 0.00 N ATOM 0 H HIS A 8 -3.485 32.101 11.262 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.514 30.458 9.158 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.504 32.192 9.428 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.167 30.999 10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.155 32.872 12.630 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.898 35.535 12.297 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.962 34.961 13.702 1.00 0.00 H new ATOM 133 N ASP A 9 -3.258 33.226 8.196 1.00 0.00 N ATOM 134 CA ASP A 9 -3.035 34.105 7.014 1.00 0.00 C ATOM 135 C ASP A 9 -1.774 33.674 6.250 1.00 0.00 C ATOM 136 O ASP A 9 -1.463 34.217 5.208 1.00 0.00 O ATOM 137 CB ASP A 9 -2.874 35.553 7.482 1.00 0.00 C ATOM 138 CG ASP A 9 -2.929 36.489 6.273 1.00 0.00 C ATOM 139 OD1 ASP A 9 -3.710 36.221 5.376 1.00 0.00 O ATOM 140 OD2 ASP A 9 -2.189 37.459 6.266 1.00 0.00 O ATOM 0 H ASP A 9 -2.583 33.336 8.953 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.894 34.021 6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.664 35.808 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.926 35.674 8.006 1.00 0.00 H new ATOM 145 N GLY A 10 -1.045 32.706 6.742 1.00 0.00 N ATOM 146 CA GLY A 10 0.181 32.264 6.016 1.00 0.00 C ATOM 147 C GLY A 10 1.436 32.666 6.798 1.00 0.00 C ATOM 148 O GLY A 10 2.505 32.130 6.585 1.00 0.00 O ATOM 0 H GLY A 10 -1.244 32.206 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.161 31.183 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.205 32.711 5.022 1.00 0.00 H new ATOM 152 N THR A 11 1.324 33.605 7.699 1.00 0.00 N ATOM 153 CA THR A 11 2.518 34.027 8.481 1.00 0.00 C ATOM 154 C THR A 11 3.064 32.829 9.251 1.00 0.00 C ATOM 155 O THR A 11 2.443 32.327 10.166 1.00 0.00 O ATOM 156 CB THR A 11 2.132 35.126 9.471 1.00 0.00 C ATOM 157 OG1 THR A 11 1.633 36.250 8.760 1.00 0.00 O ATOM 158 CG2 THR A 11 3.364 35.533 10.282 1.00 0.00 C ATOM 0 H THR A 11 0.459 34.096 7.926 1.00 0.00 H new ATOM 0 HA THR A 11 3.277 34.408 7.798 1.00 0.00 H new ATOM 0 HB THR A 11 1.360 34.756 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.384 36.954 9.394 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.092 36.317 10.989 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.743 34.668 10.827 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.137 35.904 9.609 1.00 0.00 H new ATOM 166 N ARG A 12 4.219 32.367 8.881 1.00 0.00 N ATOM 167 CA ARG A 12 4.811 31.194 9.584 1.00 0.00 C ATOM 168 C ARG A 12 6.218 31.531 10.086 1.00 0.00 C ATOM 169 O ARG A 12 7.096 31.871 9.317 1.00 0.00 O ATOM 170 CB ARG A 12 4.897 30.009 8.618 1.00 0.00 C ATOM 171 CG ARG A 12 3.549 29.811 7.923 1.00 0.00 C ATOM 172 CD ARG A 12 3.778 29.563 6.430 1.00 0.00 C ATOM 173 NE ARG A 12 2.864 28.484 5.960 1.00 0.00 N ATOM 174 CZ ARG A 12 2.664 28.303 4.682 1.00 0.00 C ATOM 175 NH1 ARG A 12 3.265 29.067 3.809 1.00 0.00 N ATOM 176 NH2 ARG A 12 1.863 27.357 4.276 1.00 0.00 N ATOM 0 H ARG A 12 4.783 32.749 8.121 1.00 0.00 H new ATOM 0 HA ARG A 12 4.178 30.938 10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.676 30.187 7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.174 29.105 9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.020 28.967 8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.922 30.691 8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.597 30.478 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.815 29.279 6.252 1.00 0.00 H new ATOM 0 HE ARG A 12 2.393 27.885 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.892 29.807 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.107 28.924 2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.393 26.759 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.706 27.215 3.278 1.00 0.00 H new ATOM 190 N ARG A 13 6.446 31.418 11.367 1.00 0.00 N ATOM 191 CA ARG A 13 7.803 31.707 11.913 1.00 0.00 C ATOM 192 C ARG A 13 8.504 30.375 12.196 1.00 0.00 C ATOM 193 O ARG A 13 7.972 29.519 12.873 1.00 0.00 O ATOM 194 CB ARG A 13 7.686 32.513 13.209 1.00 0.00 C ATOM 195 CG ARG A 13 6.481 32.020 14.012 1.00 0.00 C ATOM 196 CD ARG A 13 5.259 32.874 13.673 1.00 0.00 C ATOM 197 NE ARG A 13 4.110 31.986 13.342 1.00 0.00 N ATOM 198 CZ ARG A 13 2.897 32.469 13.300 1.00 0.00 C ATOM 199 NH1 ARG A 13 2.685 33.735 13.542 1.00 0.00 N ATOM 200 NH2 ARG A 13 1.894 31.684 13.015 1.00 0.00 N ATOM 0 H ARG A 13 5.751 31.138 12.059 1.00 0.00 H new ATOM 0 HA ARG A 13 8.376 32.289 11.192 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.597 32.407 13.799 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.575 33.573 12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.281 30.973 13.783 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.694 32.078 15.080 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.005 33.516 14.517 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.482 33.528 12.830 1.00 0.00 H new ATOM 0 HE ARG A 13 4.271 30.998 13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.468 34.350 13.765 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.737 34.109 13.508 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.058 30.695 12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.946 32.059 12.982 1.00 0.00 H new ATOM 214 N GLN A 14 9.681 30.182 11.669 1.00 0.00 N ATOM 215 CA GLN A 14 10.393 28.891 11.896 1.00 0.00 C ATOM 216 C GLN A 14 11.242 28.959 13.168 1.00 0.00 C ATOM 217 O GLN A 14 11.630 30.019 13.618 1.00 0.00 O ATOM 218 CB GLN A 14 11.300 28.597 10.699 1.00 0.00 C ATOM 219 CG GLN A 14 10.489 28.701 9.406 1.00 0.00 C ATOM 220 CD GLN A 14 11.147 29.716 8.470 1.00 0.00 C ATOM 221 OE1 GLN A 14 12.026 30.451 8.874 1.00 0.00 O ATOM 222 NE2 GLN A 14 10.756 29.789 7.227 1.00 0.00 N ATOM 0 H GLN A 14 10.180 30.859 11.093 1.00 0.00 H new ATOM 0 HA GLN A 14 9.653 28.099 12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.131 29.302 10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.730 27.600 10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.432 27.727 8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.467 29.006 9.629 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.018 29.172 6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.188 30.463 6.595 1.00 0.00 H new ATOM 231 N LEU A 15 11.542 27.822 13.739 1.00 0.00 N ATOM 232 CA LEU A 15 12.379 27.787 14.972 1.00 0.00 C ATOM 233 C LEU A 15 12.839 26.359 15.228 1.00 0.00 C ATOM 234 O LEU A 15 12.575 25.456 14.460 1.00 0.00 O ATOM 235 CB LEU A 15 11.583 28.281 16.184 1.00 0.00 C ATOM 236 CG LEU A 15 10.224 27.589 16.248 1.00 0.00 C ATOM 237 CD1 LEU A 15 9.980 27.091 17.673 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.128 28.586 15.872 1.00 0.00 C ATOM 0 H LEU A 15 11.240 26.909 13.400 1.00 0.00 H new ATOM 0 HA LEU A 15 13.239 28.441 14.826 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.142 28.084 17.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.446 29.360 16.121 1.00 0.00 H new ATOM 0 HG LEU A 15 10.209 26.749 15.554 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.010 26.596 17.724 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.763 26.385 17.951 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.993 27.936 18.361 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.157 28.093 15.917 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.143 29.423 16.570 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.302 28.953 14.861 1.00 0.00 H new ATOM 250 N ASP A 16 13.528 26.158 16.307 1.00 0.00 N ATOM 251 CA ASP A 16 14.022 24.791 16.638 1.00 0.00 C ATOM 252 C ASP A 16 13.655 24.454 18.085 1.00 0.00 C ATOM 253 O ASP A 16 14.115 25.087 19.015 1.00 0.00 O ATOM 254 CB ASP A 16 15.543 24.746 16.474 1.00 0.00 C ATOM 255 CG ASP A 16 15.951 23.401 15.870 1.00 0.00 C ATOM 256 OD1 ASP A 16 15.890 22.411 16.580 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.318 23.384 14.706 1.00 0.00 O ATOM 0 H ASP A 16 13.775 26.882 16.982 1.00 0.00 H new ATOM 0 HA ASP A 16 13.562 24.065 15.968 1.00 0.00 H new ATOM 0 HB2 ASP A 16 15.874 25.561 15.831 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.028 24.885 17.440 1.00 0.00 H new ATOM 262 N VAL A 17 12.831 23.463 18.284 1.00 0.00 N ATOM 263 CA VAL A 17 12.437 23.089 19.672 1.00 0.00 C ATOM 264 C VAL A 17 13.367 21.989 20.188 1.00 0.00 C ATOM 265 O VAL A 17 13.277 20.847 19.785 1.00 0.00 O ATOM 266 CB VAL A 17 10.994 22.579 19.673 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.569 22.254 21.105 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.073 23.660 19.101 1.00 0.00 C ATOM 0 H VAL A 17 12.413 22.896 17.546 1.00 0.00 H new ATOM 0 HA VAL A 17 12.514 23.963 20.319 1.00 0.00 H new ATOM 0 HB VAL A 17 10.925 21.680 19.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.541 21.891 21.106 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.226 21.486 21.514 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.637 23.153 21.718 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.045 23.299 19.101 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.142 24.559 19.714 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.376 23.893 18.080 1.00 0.00 H new ATOM 278 N ALA A 18 14.260 22.326 21.078 1.00 0.00 N ATOM 279 CA ALA A 18 15.195 21.301 21.622 1.00 0.00 C ATOM 280 C ALA A 18 14.411 20.049 22.014 1.00 0.00 C ATOM 281 O ALA A 18 13.197 20.023 21.969 1.00 0.00 O ATOM 282 CB ALA A 18 15.907 21.863 22.854 1.00 0.00 C ATOM 0 H ALA A 18 14.382 23.267 21.452 1.00 0.00 H new ATOM 0 HA ALA A 18 15.932 21.043 20.861 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.591 21.114 23.252 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.468 22.755 22.575 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.170 22.122 23.614 1.00 0.00 H new ATOM 288 N ASP A 19 15.097 19.011 22.403 1.00 0.00 N ATOM 289 CA ASP A 19 14.402 17.764 22.802 1.00 0.00 C ATOM 290 C ASP A 19 13.963 17.879 24.257 1.00 0.00 C ATOM 291 O ASP A 19 14.748 18.163 25.140 1.00 0.00 O ATOM 292 CB ASP A 19 15.346 16.572 22.652 1.00 0.00 C ATOM 293 CG ASP A 19 15.466 16.196 21.174 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.506 16.404 20.451 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.516 15.707 20.791 1.00 0.00 O ATOM 0 H ASP A 19 16.115 18.976 22.461 1.00 0.00 H new ATOM 0 HA ASP A 19 13.532 17.615 22.162 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.328 16.820 23.056 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.971 15.724 23.224 1.00 0.00 H new ATOM 300 N GLY A 20 12.712 17.661 24.505 1.00 0.00 N ATOM 301 CA GLY A 20 12.193 17.752 25.899 1.00 0.00 C ATOM 302 C GLY A 20 11.576 19.134 26.127 1.00 0.00 C ATOM 303 O GLY A 20 11.445 19.588 27.247 1.00 0.00 O ATOM 0 H GLY A 20 12.015 17.421 23.800 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.447 16.976 26.072 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.001 17.581 26.611 1.00 0.00 H new ATOM 307 N VAL A 21 11.195 19.807 25.076 1.00 0.00 N ATOM 308 CA VAL A 21 10.586 21.158 25.235 1.00 0.00 C ATOM 309 C VAL A 21 9.224 21.183 24.541 1.00 0.00 C ATOM 310 O VAL A 21 8.907 20.323 23.747 1.00 0.00 O ATOM 311 CB VAL A 21 11.496 22.212 24.600 1.00 0.00 C ATOM 312 CG1 VAL A 21 11.291 23.556 25.301 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.958 21.781 24.747 1.00 0.00 C ATOM 0 H VAL A 21 11.279 19.480 24.114 1.00 0.00 H new ATOM 0 HA VAL A 21 10.464 21.377 26.296 1.00 0.00 H new ATOM 0 HB VAL A 21 11.249 22.312 23.543 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.940 24.305 24.848 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.251 23.866 25.197 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.536 23.456 26.358 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.606 22.532 24.295 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.203 21.680 25.804 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.107 20.824 24.247 1.00 0.00 H new ATOM 323 N SER A 22 8.418 22.166 24.830 1.00 0.00 N ATOM 324 CA SER A 22 7.081 22.248 24.179 1.00 0.00 C ATOM 325 C SER A 22 7.079 23.415 23.193 1.00 0.00 C ATOM 326 O SER A 22 7.684 24.440 23.435 1.00 0.00 O ATOM 327 CB SER A 22 6.008 22.476 25.244 1.00 0.00 C ATOM 328 OG SER A 22 4.726 22.465 24.628 1.00 0.00 O ATOM 0 H SER A 22 8.627 22.916 25.489 1.00 0.00 H new ATOM 0 HA SER A 22 6.870 21.319 23.650 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.065 21.699 26.006 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.175 23.429 25.747 1.00 0.00 H new ATOM 0 HG SER A 22 4.774 21.974 23.781 1.00 0.00 H new ATOM 334 N LEU A 23 6.407 23.273 22.081 1.00 0.00 N ATOM 335 CA LEU A 23 6.378 24.385 21.091 1.00 0.00 C ATOM 336 C LEU A 23 6.139 25.701 21.832 1.00 0.00 C ATOM 337 O LEU A 23 6.660 26.734 21.465 1.00 0.00 O ATOM 338 CB LEU A 23 5.249 24.156 20.082 1.00 0.00 C ATOM 339 CG LEU A 23 5.643 23.051 19.098 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.651 23.026 17.934 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.047 23.313 18.558 1.00 0.00 C ATOM 0 H LEU A 23 5.881 22.440 21.818 1.00 0.00 H new ATOM 0 HA LEU A 23 7.328 24.424 20.558 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.333 23.879 20.605 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.041 25.079 19.541 1.00 0.00 H new ATOM 0 HG LEU A 23 5.628 22.091 19.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.932 22.239 17.234 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.648 22.832 18.315 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.665 23.989 17.423 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.321 22.523 17.859 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.066 24.275 18.045 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.758 23.329 19.384 1.00 0.00 H new ATOM 353 N MET A 24 5.363 25.666 22.882 1.00 0.00 N ATOM 354 CA MET A 24 5.100 26.912 23.655 1.00 0.00 C ATOM 355 C MET A 24 6.413 27.411 24.259 1.00 0.00 C ATOM 356 O MET A 24 6.759 28.570 24.147 1.00 0.00 O ATOM 357 CB MET A 24 4.100 26.618 24.775 1.00 0.00 C ATOM 358 CG MET A 24 4.026 27.818 25.721 1.00 0.00 C ATOM 359 SD MET A 24 4.611 27.329 27.363 1.00 0.00 S ATOM 360 CE MET A 24 5.554 28.831 27.724 1.00 0.00 C ATOM 0 H MET A 24 4.901 24.829 23.237 1.00 0.00 H new ATOM 0 HA MET A 24 4.686 27.674 22.995 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.116 26.412 24.354 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.404 25.727 25.324 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.634 28.637 25.336 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.001 28.184 25.782 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.011 28.746 28.710 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.333 28.961 26.973 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.887 29.693 27.707 1.00 0.00 H new ATOM 370 N GLN A 25 7.152 26.541 24.894 1.00 0.00 N ATOM 371 CA GLN A 25 8.447 26.965 25.496 1.00 0.00 C ATOM 372 C GLN A 25 9.287 27.665 24.428 1.00 0.00 C ATOM 373 O GLN A 25 9.706 28.793 24.594 1.00 0.00 O ATOM 374 CB GLN A 25 9.198 25.736 26.013 1.00 0.00 C ATOM 375 CG GLN A 25 8.697 25.384 27.416 1.00 0.00 C ATOM 376 CD GLN A 25 9.889 25.238 28.362 1.00 0.00 C ATOM 377 OE1 GLN A 25 10.517 26.214 28.722 1.00 0.00 O ATOM 378 NE2 GLN A 25 10.231 24.051 28.784 1.00 0.00 N ATOM 0 H GLN A 25 6.915 25.557 25.021 1.00 0.00 H new ATOM 0 HA GLN A 25 8.262 27.648 26.325 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.045 24.893 25.339 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.269 25.935 26.037 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.024 26.161 27.779 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.126 24.456 27.388 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.704 23.231 28.482 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.025 23.943 29.415 1.00 0.00 H new ATOM 387 N ALA A 26 9.530 27.007 23.327 1.00 0.00 N ATOM 388 CA ALA A 26 10.335 27.639 22.244 1.00 0.00 C ATOM 389 C ALA A 26 9.592 28.869 21.717 1.00 0.00 C ATOM 390 O ALA A 26 10.177 29.759 21.133 1.00 0.00 O ATOM 391 CB ALA A 26 10.533 26.635 21.107 1.00 0.00 C ATOM 0 H ALA A 26 9.206 26.060 23.131 1.00 0.00 H new ATOM 0 HA ALA A 26 11.307 27.939 22.635 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.122 27.095 20.314 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.057 25.757 21.484 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.562 26.337 20.712 1.00 0.00 H new ATOM 397 N ALA A 27 8.304 28.924 21.920 1.00 0.00 N ATOM 398 CA ALA A 27 7.516 30.093 21.435 1.00 0.00 C ATOM 399 C ALA A 27 7.748 31.288 22.363 1.00 0.00 C ATOM 400 O ALA A 27 7.592 32.427 21.973 1.00 0.00 O ATOM 401 CB ALA A 27 6.029 29.736 21.430 1.00 0.00 C ATOM 0 H ALA A 27 7.762 28.207 22.402 1.00 0.00 H new ATOM 0 HA ALA A 27 7.834 30.351 20.425 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.451 30.590 21.076 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.861 28.885 20.770 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.713 29.479 22.441 1.00 0.00 H new ATOM 407 N VAL A 28 8.118 31.039 23.590 1.00 0.00 N ATOM 408 CA VAL A 28 8.356 32.166 24.536 1.00 0.00 C ATOM 409 C VAL A 28 9.465 33.062 23.981 1.00 0.00 C ATOM 410 O VAL A 28 9.457 34.264 24.156 1.00 0.00 O ATOM 411 CB VAL A 28 8.772 31.610 25.902 1.00 0.00 C ATOM 412 CG1 VAL A 28 10.226 31.133 25.850 1.00 0.00 C ATOM 413 CG2 VAL A 28 8.635 32.708 26.960 1.00 0.00 C ATOM 0 H VAL A 28 8.265 30.107 23.977 1.00 0.00 H new ATOM 0 HA VAL A 28 7.442 32.749 24.652 1.00 0.00 H new ATOM 0 HB VAL A 28 8.128 30.769 26.158 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.515 30.739 26.824 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.325 30.350 25.098 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.874 31.970 25.590 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.930 32.315 27.933 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.278 33.548 26.698 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.599 33.044 27.004 1.00 0.00 H new ATOM 423 N SER A 29 10.416 32.480 23.306 1.00 0.00 N ATOM 424 CA SER A 29 11.528 33.285 22.728 1.00 0.00 C ATOM 425 C SER A 29 11.162 33.690 21.302 1.00 0.00 C ATOM 426 O SER A 29 11.204 34.849 20.942 1.00 0.00 O ATOM 427 CB SER A 29 12.794 32.439 22.689 1.00 0.00 C ATOM 428 OG SER A 29 13.931 33.291 22.656 1.00 0.00 O ATOM 0 H SER A 29 10.471 31.477 23.129 1.00 0.00 H new ATOM 0 HA SER A 29 11.694 34.173 23.339 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.838 31.790 23.564 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.785 31.792 21.812 1.00 0.00 H new ATOM 0 HG SER A 29 14.746 32.748 22.633 1.00 0.00 H new ATOM 434 N ASN A 30 10.798 32.736 20.489 1.00 0.00 N ATOM 435 CA ASN A 30 10.421 33.053 19.085 1.00 0.00 C ATOM 436 C ASN A 30 9.313 34.106 19.087 1.00 0.00 C ATOM 437 O ASN A 30 9.060 34.760 18.095 1.00 0.00 O ATOM 438 CB ASN A 30 9.926 31.781 18.393 1.00 0.00 C ATOM 439 CG ASN A 30 11.121 31.034 17.802 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.566 31.340 16.714 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.667 30.062 18.483 1.00 0.00 N ATOM 0 H ASN A 30 10.746 31.748 20.739 1.00 0.00 H new ATOM 0 HA ASN A 30 11.287 33.440 18.548 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.401 31.145 19.106 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.215 32.034 17.607 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.468 29.559 18.101 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.292 29.806 19.397 1.00 0.00 H new ATOM 448 N GLY A 31 8.657 34.278 20.201 1.00 0.00 N ATOM 449 CA GLY A 31 7.569 35.295 20.277 1.00 0.00 C ATOM 450 C GLY A 31 6.277 34.723 19.692 1.00 0.00 C ATOM 451 O GLY A 31 5.412 35.451 19.247 1.00 0.00 O ATOM 0 H GLY A 31 8.827 33.759 21.062 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.409 35.591 21.314 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.860 36.192 19.730 1.00 0.00 H new ATOM 455 N ILE A 32 6.133 33.426 19.692 1.00 0.00 N ATOM 456 CA ILE A 32 4.888 32.817 19.139 1.00 0.00 C ATOM 457 C ILE A 32 4.000 32.392 20.292 1.00 0.00 C ATOM 458 O ILE A 32 2.792 32.347 20.184 1.00 0.00 O ATOM 459 CB ILE A 32 5.232 31.603 18.277 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.641 31.772 17.726 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.241 31.497 17.117 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.018 30.546 16.897 1.00 0.00 C ATOM 0 H ILE A 32 6.821 32.763 20.050 1.00 0.00 H new ATOM 0 HA ILE A 32 4.369 33.547 18.518 1.00 0.00 H new ATOM 0 HB ILE A 32 5.175 30.697 18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.696 32.670 17.111 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.349 31.902 18.544 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.489 30.630 16.504 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.231 31.386 17.511 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.296 32.399 16.508 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.027 30.669 16.504 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.980 29.656 17.525 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.317 30.437 16.070 1.00 0.00 H new ATOM 474 N TYR A 33 4.594 32.098 21.405 1.00 0.00 N ATOM 475 CA TYR A 33 3.787 31.702 22.585 1.00 0.00 C ATOM 476 C TYR A 33 2.703 32.760 22.764 1.00 0.00 C ATOM 477 O TYR A 33 1.560 32.469 23.057 1.00 0.00 O ATOM 478 CB TYR A 33 4.700 31.623 23.825 1.00 0.00 C ATOM 479 CG TYR A 33 4.603 32.884 24.661 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.311 34.031 24.284 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.804 32.901 25.811 1.00 0.00 C ATOM 482 CE1 TYR A 33 5.221 35.195 25.056 1.00 0.00 C ATOM 483 CE2 TYR A 33 3.714 34.065 26.584 1.00 0.00 C ATOM 484 CZ TYR A 33 4.423 35.212 26.206 1.00 0.00 C ATOM 485 OH TYR A 33 4.334 36.360 26.968 1.00 0.00 O ATOM 0 H TYR A 33 5.603 32.114 21.551 1.00 0.00 H new ATOM 0 HA TYR A 33 3.329 30.722 22.449 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.421 30.760 24.430 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.732 31.471 23.510 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.927 34.018 23.397 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.257 32.016 26.102 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.767 36.080 24.764 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.098 34.078 27.471 1.00 0.00 H new ATOM 0 HH TYR A 33 3.738 36.202 27.730 1.00 0.00 H new ATOM 495 N ASP A 34 3.073 33.994 22.572 1.00 0.00 N ATOM 496 CA ASP A 34 2.095 35.102 22.705 1.00 0.00 C ATOM 497 C ASP A 34 1.152 35.090 21.501 1.00 0.00 C ATOM 498 O ASP A 34 -0.009 35.433 21.613 1.00 0.00 O ATOM 499 CB ASP A 34 2.840 36.438 22.758 1.00 0.00 C ATOM 500 CG ASP A 34 1.841 37.571 23.000 1.00 0.00 C ATOM 501 OD1 ASP A 34 0.761 37.287 23.492 1.00 0.00 O ATOM 502 OD2 ASP A 34 2.172 38.703 22.689 1.00 0.00 O ATOM 0 H ASP A 34 4.020 34.283 22.327 1.00 0.00 H new ATOM 0 HA ASP A 34 1.519 34.973 23.621 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.585 36.420 23.554 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.376 36.605 21.824 1.00 0.00 H new ATOM 507 N ILE A 35 1.630 34.697 20.346 1.00 0.00 N ATOM 508 CA ILE A 35 0.731 34.672 19.156 1.00 0.00 C ATOM 509 C ILE A 35 0.216 33.247 18.936 1.00 0.00 C ATOM 510 O ILE A 35 -0.325 32.926 17.897 1.00 0.00 O ATOM 511 CB ILE A 35 1.493 35.154 17.916 1.00 0.00 C ATOM 512 CG1 ILE A 35 2.404 34.039 17.396 1.00 0.00 C ATOM 513 CG2 ILE A 35 2.343 36.371 18.283 1.00 0.00 C ATOM 514 CD1 ILE A 35 1.856 33.505 16.071 1.00 0.00 C ATOM 0 H ILE A 35 2.590 34.397 20.179 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.116 35.337 19.328 1.00 0.00 H new ATOM 0 HB ILE A 35 0.777 35.424 17.140 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.416 34.418 17.256 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.464 33.233 18.128 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.885 36.715 17.402 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.697 37.170 18.646 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.054 36.097 19.063 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.506 32.711 15.702 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.852 33.110 16.225 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.819 34.313 15.340 1.00 0.00 H new ATOM 526 N VAL A 36 0.375 32.392 19.911 1.00 0.00 N ATOM 527 CA VAL A 36 -0.107 30.989 19.765 1.00 0.00 C ATOM 528 C VAL A 36 -0.256 30.355 21.150 1.00 0.00 C ATOM 529 O VAL A 36 0.496 29.478 21.525 1.00 0.00 O ATOM 530 CB VAL A 36 0.904 30.182 18.946 1.00 0.00 C ATOM 531 CG1 VAL A 36 0.448 28.724 18.864 1.00 0.00 C ATOM 532 CG2 VAL A 36 0.999 30.762 17.533 1.00 0.00 C ATOM 0 H VAL A 36 0.819 32.606 20.804 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.071 30.989 19.256 1.00 0.00 H new ATOM 0 HB VAL A 36 1.881 30.233 19.428 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.168 28.150 18.281 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.380 28.307 19.869 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.529 28.675 18.384 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.719 30.187 16.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.022 30.712 17.053 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.324 31.801 17.587 1.00 0.00 H new ATOM 542 N GLY A 37 -1.219 30.792 21.915 1.00 0.00 N ATOM 543 CA GLY A 37 -1.411 30.212 23.275 1.00 0.00 C ATOM 544 C GLY A 37 -2.104 31.235 24.176 1.00 0.00 C ATOM 545 O GLY A 37 -2.546 32.274 23.725 1.00 0.00 O ATOM 0 H GLY A 37 -1.880 31.525 21.658 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.009 29.303 23.213 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.448 29.931 23.701 1.00 0.00 H new ATOM 549 N ASP A 38 -2.205 30.952 25.446 1.00 0.00 N ATOM 550 CA ASP A 38 -2.871 31.911 26.372 1.00 0.00 C ATOM 551 C ASP A 38 -2.547 31.537 27.820 1.00 0.00 C ATOM 552 O ASP A 38 -1.689 32.127 28.446 1.00 0.00 O ATOM 553 CB ASP A 38 -4.385 31.857 26.159 1.00 0.00 C ATOM 554 CG ASP A 38 -4.871 33.199 25.609 1.00 0.00 C ATOM 555 OD1 ASP A 38 -4.146 33.795 24.830 1.00 0.00 O ATOM 556 OD2 ASP A 38 -5.961 33.608 25.976 1.00 0.00 O ATOM 0 H ASP A 38 -1.855 30.099 25.882 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.510 32.919 26.169 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.637 31.055 25.465 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.888 31.634 27.100 1.00 0.00 H new ATOM 561 N CYS A 39 -3.229 30.563 28.360 1.00 0.00 N ATOM 562 CA CYS A 39 -2.961 30.158 29.769 1.00 0.00 C ATOM 563 C CYS A 39 -1.518 29.661 29.894 1.00 0.00 C ATOM 564 O CYS A 39 -0.836 29.944 30.859 1.00 0.00 O ATOM 565 CB CYS A 39 -3.931 29.043 30.176 1.00 0.00 C ATOM 566 SG CYS A 39 -3.466 27.492 29.363 1.00 0.00 S ATOM 0 H CYS A 39 -3.959 30.031 27.887 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.104 31.016 30.427 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.917 28.914 31.258 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.949 29.317 29.900 1.00 0.00 H new ATOM 571 N GLY A 40 -1.049 28.922 28.927 1.00 0.00 N ATOM 572 CA GLY A 40 0.349 28.408 28.993 1.00 0.00 C ATOM 573 C GLY A 40 0.487 27.454 30.180 1.00 0.00 C ATOM 574 O GLY A 40 -0.036 27.699 31.249 1.00 0.00 O ATOM 0 H GLY A 40 -1.572 28.652 28.094 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.602 27.892 28.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.048 29.238 29.097 1.00 0.00 H new ATOM 578 N GLY A 41 1.186 26.367 30.002 1.00 0.00 N ATOM 579 CA GLY A 41 1.356 25.398 31.122 1.00 0.00 C ATOM 580 C GLY A 41 0.011 24.743 31.438 1.00 0.00 C ATOM 581 O GLY A 41 -0.441 23.859 30.737 1.00 0.00 O ATOM 0 H GLY A 41 1.647 26.108 29.130 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.088 24.637 30.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.740 25.910 32.005 1.00 0.00 H new ATOM 585 N SER A 42 -0.634 25.168 32.490 1.00 0.00 N ATOM 586 CA SER A 42 -1.950 24.568 32.850 1.00 0.00 C ATOM 587 C SER A 42 -2.940 24.788 31.705 1.00 0.00 C ATOM 588 O SER A 42 -3.513 25.850 31.562 1.00 0.00 O ATOM 589 CB SER A 42 -2.483 25.233 34.119 1.00 0.00 C ATOM 590 OG SER A 42 -3.189 24.271 34.892 1.00 0.00 O ATOM 0 H SER A 42 -0.307 25.904 33.115 1.00 0.00 H new ATOM 0 HA SER A 42 -1.827 23.499 33.024 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.659 25.649 34.699 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.141 26.062 33.860 1.00 0.00 H new ATOM 0 HG SER A 42 -3.531 24.694 35.707 1.00 0.00 H new ATOM 596 N ALA A 43 -3.146 23.792 30.886 1.00 0.00 N ATOM 597 CA ALA A 43 -4.099 23.946 29.751 1.00 0.00 C ATOM 598 C ALA A 43 -5.508 24.184 30.296 1.00 0.00 C ATOM 599 O ALA A 43 -6.127 23.299 30.853 1.00 0.00 O ATOM 600 CB ALA A 43 -4.089 22.673 28.902 1.00 0.00 C ATOM 0 H ALA A 43 -2.696 22.879 30.954 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.799 24.795 29.137 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.786 22.784 28.071 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.085 22.503 28.513 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.389 21.824 29.516 1.00 0.00 H new ATOM 606 N SER A 44 -6.021 25.374 30.141 1.00 0.00 N ATOM 607 CA SER A 44 -7.390 25.668 30.650 1.00 0.00 C ATOM 608 C SER A 44 -8.022 26.782 29.813 1.00 0.00 C ATOM 609 O SER A 44 -8.990 27.398 30.215 1.00 0.00 O ATOM 610 CB SER A 44 -7.305 26.113 32.110 1.00 0.00 C ATOM 611 OG SER A 44 -6.979 24.994 32.925 1.00 0.00 O ATOM 0 H SER A 44 -5.551 26.155 29.684 1.00 0.00 H new ATOM 0 HA SER A 44 -8.003 24.770 30.577 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.550 26.891 32.222 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.255 26.543 32.427 1.00 0.00 H new ATOM 0 HG SER A 44 -6.787 24.220 32.356 1.00 0.00 H new ATOM 617 N CYS A 45 -7.487 27.047 28.652 1.00 0.00 N ATOM 618 CA CYS A 45 -8.065 28.121 27.796 1.00 0.00 C ATOM 619 C CYS A 45 -8.488 27.524 26.448 1.00 0.00 C ATOM 620 O CYS A 45 -8.862 26.371 26.363 1.00 0.00 O ATOM 621 CB CYS A 45 -7.022 29.228 27.588 1.00 0.00 C ATOM 622 SG CYS A 45 -5.792 28.714 26.361 1.00 0.00 S ATOM 0 H CYS A 45 -6.677 26.567 28.260 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.940 28.551 28.283 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.514 30.143 27.258 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.529 29.455 28.533 1.00 0.00 H new ATOM 627 N ALA A 46 -8.438 28.295 25.395 1.00 0.00 N ATOM 628 CA ALA A 46 -8.845 27.756 24.064 1.00 0.00 C ATOM 629 C ALA A 46 -8.177 28.562 22.946 1.00 0.00 C ATOM 630 O ALA A 46 -8.606 28.535 21.809 1.00 0.00 O ATOM 631 CB ALA A 46 -10.365 27.852 23.923 1.00 0.00 C ATOM 0 H ALA A 46 -8.135 29.269 25.398 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.533 26.714 23.988 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.666 27.459 22.952 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.841 27.271 24.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.673 28.895 24.004 1.00 0.00 H new ATOM 637 N THR A 47 -7.133 29.279 23.256 1.00 0.00 N ATOM 638 CA THR A 47 -6.442 30.084 22.211 1.00 0.00 C ATOM 639 C THR A 47 -5.343 29.244 21.554 1.00 0.00 C ATOM 640 O THR A 47 -4.905 29.532 20.458 1.00 0.00 O ATOM 641 CB THR A 47 -5.820 31.326 22.853 1.00 0.00 C ATOM 642 OG1 THR A 47 -4.532 31.002 23.356 1.00 0.00 O ATOM 643 CG2 THR A 47 -6.711 31.812 23.997 1.00 0.00 C ATOM 0 H THR A 47 -6.728 29.342 24.190 1.00 0.00 H new ATOM 0 HA THR A 47 -7.164 30.388 21.453 1.00 0.00 H new ATOM 0 HB THR A 47 -5.730 32.115 22.107 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.865 31.599 22.956 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.267 32.697 24.453 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.698 32.061 23.608 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.804 31.025 24.746 1.00 0.00 H new ATOM 651 N CYS A 48 -4.891 28.208 22.210 1.00 0.00 N ATOM 652 CA CYS A 48 -3.820 27.362 21.607 1.00 0.00 C ATOM 653 C CYS A 48 -4.444 26.270 20.730 1.00 0.00 C ATOM 654 O CYS A 48 -4.012 25.135 20.725 1.00 0.00 O ATOM 655 CB CYS A 48 -2.938 26.756 22.704 1.00 0.00 C ATOM 656 SG CYS A 48 -3.856 25.534 23.669 1.00 0.00 S ATOM 0 H CYS A 48 -5.214 27.912 23.131 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.187 27.985 20.975 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.063 26.287 22.255 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.574 27.546 23.361 1.00 0.00 H new ATOM 661 N HIS A 49 -5.448 26.632 19.970 1.00 0.00 N ATOM 662 CA HIS A 49 -6.118 25.666 19.044 1.00 0.00 C ATOM 663 C HIS A 49 -5.271 25.583 17.770 1.00 0.00 C ATOM 664 O HIS A 49 -5.717 25.947 16.699 1.00 0.00 O ATOM 665 CB HIS A 49 -7.498 26.235 18.681 1.00 0.00 C ATOM 666 CG HIS A 49 -8.347 25.201 17.997 1.00 0.00 C ATOM 667 ND1 HIS A 49 -8.601 25.282 16.650 1.00 0.00 N ATOM 668 CD2 HIS A 49 -9.003 24.071 18.428 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.359 24.232 16.317 1.00 0.00 C ATOM 670 NE2 HIS A 49 -9.633 23.467 17.363 1.00 0.00 N ATOM 0 H HIS A 49 -5.839 27.574 19.952 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.222 24.683 19.503 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.000 26.583 19.584 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.378 27.100 18.029 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -8.271 26.011 16.018 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.021 23.712 19.447 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.707 24.032 15.314 1.00 0.00 H new ATOM 678 N VAL A 50 -4.045 25.147 17.865 1.00 0.00 N ATOM 679 CA VAL A 50 -3.197 25.112 16.647 1.00 0.00 C ATOM 680 C VAL A 50 -3.563 23.932 15.778 1.00 0.00 C ATOM 681 O VAL A 50 -3.951 22.881 16.246 1.00 0.00 O ATOM 682 CB VAL A 50 -1.726 25.003 17.021 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.362 26.110 18.012 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.460 23.637 17.653 1.00 0.00 C ATOM 0 H VAL A 50 -3.601 24.818 18.722 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.368 26.038 16.099 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.116 25.111 16.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.308 26.029 18.277 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.547 27.082 17.556 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.971 26.009 18.910 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.406 23.559 17.921 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.071 23.525 18.548 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.712 22.851 16.941 1.00 0.00 H new ATOM 694 N TYR A 51 -3.418 24.107 14.507 1.00 0.00 N ATOM 695 CA TYR A 51 -3.726 23.018 13.561 1.00 0.00 C ATOM 696 C TYR A 51 -2.401 22.488 13.014 1.00 0.00 C ATOM 697 O TYR A 51 -1.681 23.166 12.313 1.00 0.00 O ATOM 698 CB TYR A 51 -4.589 23.587 12.453 1.00 0.00 C ATOM 699 CG TYR A 51 -6.057 23.409 12.799 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.664 22.166 12.601 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.816 24.486 13.295 1.00 0.00 C ATOM 702 CE1 TYR A 51 -8.023 21.984 12.893 1.00 0.00 C ATOM 703 CE2 TYR A 51 -8.179 24.304 13.580 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.783 23.054 13.380 1.00 0.00 C ATOM 705 OH TYR A 51 -10.131 22.884 13.653 1.00 0.00 O ATOM 0 H TYR A 51 -3.094 24.973 14.076 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.266 22.200 14.038 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.365 24.644 12.312 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.365 23.086 11.511 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.082 21.340 12.220 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.352 25.448 13.456 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.483 21.019 12.742 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.765 25.130 13.955 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.235 22.368 14.480 1.00 0.00 H new ATOM 715 N VAL A 52 -2.059 21.297 13.387 1.00 0.00 N ATOM 716 CA VAL A 52 -0.753 20.709 12.970 1.00 0.00 C ATOM 717 C VAL A 52 -0.877 19.865 11.705 1.00 0.00 C ATOM 718 O VAL A 52 -1.957 19.559 11.240 1.00 0.00 O ATOM 719 CB VAL A 52 -0.255 19.822 14.106 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.212 19.455 13.876 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.408 20.578 15.427 1.00 0.00 C ATOM 0 H VAL A 52 -2.633 20.690 13.973 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.061 21.523 12.755 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.840 18.903 14.141 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.561 18.821 14.691 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.309 18.918 12.932 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.813 20.364 13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.055 19.953 16.247 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.179 21.496 15.391 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.458 20.825 15.585 1.00 0.00 H new ATOM 731 N ASN A 53 0.247 19.473 11.160 1.00 0.00 N ATOM 732 CA ASN A 53 0.241 18.629 9.939 1.00 0.00 C ATOM 733 C ASN A 53 -0.291 17.246 10.307 1.00 0.00 C ATOM 734 O ASN A 53 -0.388 16.898 11.467 1.00 0.00 O ATOM 735 CB ASN A 53 1.667 18.502 9.396 1.00 0.00 C ATOM 736 CG ASN A 53 1.743 19.139 8.008 1.00 0.00 C ATOM 737 OD1 ASN A 53 0.745 19.579 7.473 1.00 0.00 O ATOM 738 ND2 ASN A 53 2.895 19.209 7.398 1.00 0.00 N ATOM 0 H ASN A 53 1.174 19.707 11.516 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.391 19.082 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.369 18.991 10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.955 17.452 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.957 19.633 6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.733 18.840 7.847 1.00 0.00 H new ATOM 745 N GLU A 54 -0.648 16.458 9.336 1.00 0.00 N ATOM 746 CA GLU A 54 -1.188 15.102 9.639 1.00 0.00 C ATOM 747 C GLU A 54 -0.041 14.090 9.715 1.00 0.00 C ATOM 748 O GLU A 54 -0.261 12.897 9.781 1.00 0.00 O ATOM 749 CB GLU A 54 -2.160 14.685 8.533 1.00 0.00 C ATOM 750 CG GLU A 54 -1.416 14.620 7.197 1.00 0.00 C ATOM 751 CD GLU A 54 -1.906 15.747 6.285 1.00 0.00 C ATOM 752 OE1 GLU A 54 -2.924 15.560 5.639 1.00 0.00 O ATOM 753 OE2 GLU A 54 -1.254 16.778 6.248 1.00 0.00 O ATOM 0 H GLU A 54 -0.590 16.692 8.345 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.708 15.128 10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.597 13.714 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.982 15.398 8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.342 14.712 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.584 13.654 6.721 1.00 0.00 H new ATOM 760 N ALA A 55 1.180 14.552 9.702 1.00 0.00 N ATOM 761 CA ALA A 55 2.331 13.606 9.767 1.00 0.00 C ATOM 762 C ALA A 55 3.038 13.735 11.119 1.00 0.00 C ATOM 763 O ALA A 55 3.632 12.796 11.610 1.00 0.00 O ATOM 764 CB ALA A 55 3.318 13.929 8.644 1.00 0.00 C ATOM 0 H ALA A 55 1.430 15.540 9.649 1.00 0.00 H new ATOM 0 HA ALA A 55 1.963 12.586 9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.160 13.238 8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.818 13.828 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.680 14.951 8.760 1.00 0.00 H new ATOM 770 N PHE A 56 2.986 14.890 11.722 1.00 0.00 N ATOM 771 CA PHE A 56 3.663 15.073 13.038 1.00 0.00 C ATOM 772 C PHE A 56 2.642 14.921 14.167 1.00 0.00 C ATOM 773 O PHE A 56 2.992 14.675 15.304 1.00 0.00 O ATOM 774 CB PHE A 56 4.295 16.460 13.090 1.00 0.00 C ATOM 775 CG PHE A 56 5.437 16.513 12.105 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.194 16.875 10.775 1.00 0.00 C ATOM 777 CD2 PHE A 56 6.738 16.197 12.518 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.251 16.925 9.860 1.00 0.00 C ATOM 779 CE2 PHE A 56 7.794 16.248 11.603 1.00 0.00 C ATOM 780 CZ PHE A 56 7.550 16.612 10.274 1.00 0.00 C ATOM 0 H PHE A 56 2.505 15.714 11.362 1.00 0.00 H new ATOM 0 HA PHE A 56 4.440 14.318 13.159 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.553 17.222 12.849 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.655 16.673 14.097 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.191 17.116 10.455 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.925 15.914 13.543 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.064 17.205 8.834 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.797 16.007 11.922 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.366 16.651 9.567 1.00 0.00 H new ATOM 790 N THR A 57 1.379 15.057 13.863 1.00 0.00 N ATOM 791 CA THR A 57 0.340 14.911 14.921 1.00 0.00 C ATOM 792 C THR A 57 0.364 13.480 15.463 1.00 0.00 C ATOM 793 O THR A 57 -0.070 13.216 16.566 1.00 0.00 O ATOM 794 CB THR A 57 -1.041 15.199 14.327 1.00 0.00 C ATOM 795 OG1 THR A 57 -1.044 14.852 12.949 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.367 16.683 14.482 1.00 0.00 C ATOM 0 H THR A 57 1.023 15.262 12.929 1.00 0.00 H new ATOM 0 HA THR A 57 0.545 15.615 15.728 1.00 0.00 H new ATOM 0 HB THR A 57 -1.792 14.609 14.852 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.796 15.635 12.414 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.351 16.886 14.058 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.366 16.947 15.539 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.617 17.277 13.959 1.00 0.00 H new ATOM 804 N ASP A 58 0.865 12.554 14.691 1.00 0.00 N ATOM 805 CA ASP A 58 0.913 11.140 15.159 1.00 0.00 C ATOM 806 C ASP A 58 2.149 10.929 16.035 1.00 0.00 C ATOM 807 O ASP A 58 2.121 10.186 16.995 1.00 0.00 O ATOM 808 CB ASP A 58 0.981 10.206 13.949 1.00 0.00 C ATOM 809 CG ASP A 58 -0.436 9.861 13.489 1.00 0.00 C ATOM 810 OD1 ASP A 58 -1.274 9.624 14.344 1.00 0.00 O ATOM 811 OD2 ASP A 58 -0.660 9.839 12.290 1.00 0.00 O ATOM 0 H ASP A 58 1.243 12.716 13.757 1.00 0.00 H new ATOM 0 HA ASP A 58 0.017 10.921 15.740 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.531 10.684 13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.522 9.296 14.209 1.00 0.00 H new ATOM 816 N LYS A 59 3.235 11.577 15.713 1.00 0.00 N ATOM 817 CA LYS A 59 4.469 11.410 16.531 1.00 0.00 C ATOM 818 C LYS A 59 4.215 11.933 17.945 1.00 0.00 C ATOM 819 O LYS A 59 4.984 11.691 18.855 1.00 0.00 O ATOM 820 CB LYS A 59 5.612 12.199 15.893 1.00 0.00 C ATOM 821 CG LYS A 59 6.234 11.377 14.763 1.00 0.00 C ATOM 822 CD LYS A 59 6.671 10.014 15.304 1.00 0.00 C ATOM 823 CE LYS A 59 8.072 9.683 14.786 1.00 0.00 C ATOM 824 NZ LYS A 59 7.984 8.585 13.782 1.00 0.00 N ATOM 0 H LYS A 59 3.321 12.213 14.921 1.00 0.00 H new ATOM 0 HA LYS A 59 4.737 10.354 16.576 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.240 13.147 15.505 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.367 12.435 16.643 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.514 11.246 13.956 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.090 11.905 14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.668 10.026 16.394 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.965 9.244 14.992 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.523 10.567 14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.716 9.383 15.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.936 8.360 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.570 7.741 14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.384 8.888 12.988 1.00 0.00 H new ATOM 838 N VAL A 60 3.139 12.644 18.139 1.00 0.00 N ATOM 839 CA VAL A 60 2.833 13.179 19.498 1.00 0.00 C ATOM 840 C VAL A 60 1.829 12.247 20.186 1.00 0.00 C ATOM 841 O VAL A 60 1.174 11.459 19.534 1.00 0.00 O ATOM 842 CB VAL A 60 2.239 14.596 19.405 1.00 0.00 C ATOM 843 CG1 VAL A 60 3.145 15.575 20.152 1.00 0.00 C ATOM 844 CG2 VAL A 60 2.126 15.039 17.942 1.00 0.00 C ATOM 0 H VAL A 60 2.458 12.878 17.417 1.00 0.00 H new ATOM 0 HA VAL A 60 3.756 13.230 20.075 1.00 0.00 H new ATOM 0 HB VAL A 60 1.244 14.586 19.851 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.727 16.579 20.088 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.217 15.278 21.198 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.138 15.566 19.703 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.704 16.043 17.897 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.116 15.041 17.485 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.478 14.349 17.402 1.00 0.00 H new ATOM 854 N PRO A 61 1.743 12.361 21.488 1.00 0.00 N ATOM 855 CA PRO A 61 0.828 11.528 22.289 1.00 0.00 C ATOM 856 C PRO A 61 -0.619 11.741 21.838 1.00 0.00 C ATOM 857 O PRO A 61 -0.932 12.690 21.147 1.00 0.00 O ATOM 858 CB PRO A 61 1.024 12.007 23.734 1.00 0.00 C ATOM 859 CG PRO A 61 2.110 13.114 23.721 1.00 0.00 C ATOM 860 CD PRO A 61 2.545 13.325 22.262 1.00 0.00 C ATOM 0 HA PRO A 61 1.034 10.463 22.181 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.089 12.394 24.139 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.330 11.179 24.373 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.717 14.040 24.141 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.961 12.822 24.335 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.356 14.348 21.937 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.612 13.143 22.137 1.00 0.00 H new ATOM 868 N ALA A 62 -1.504 10.864 22.225 1.00 0.00 N ATOM 869 CA ALA A 62 -2.930 11.013 21.821 1.00 0.00 C ATOM 870 C ALA A 62 -3.769 11.380 23.044 1.00 0.00 C ATOM 871 O ALA A 62 -4.685 10.675 23.416 1.00 0.00 O ATOM 872 CB ALA A 62 -3.435 9.695 21.237 1.00 0.00 C ATOM 0 H ALA A 62 -1.301 10.050 22.804 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.014 11.799 21.071 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.478 9.804 20.941 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.837 9.430 20.365 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.351 8.909 21.987 1.00 0.00 H new ATOM 878 N ALA A 63 -3.456 12.478 23.671 1.00 0.00 N ATOM 879 CA ALA A 63 -4.227 12.902 24.875 1.00 0.00 C ATOM 880 C ALA A 63 -5.722 12.674 24.634 1.00 0.00 C ATOM 881 O ALA A 63 -6.266 13.072 23.623 1.00 0.00 O ATOM 882 CB ALA A 63 -3.976 14.387 25.143 1.00 0.00 C ATOM 0 H ALA A 63 -2.697 13.104 23.402 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.905 12.316 25.736 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.539 14.698 26.023 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.912 14.551 25.316 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.297 14.972 24.281 1.00 0.00 H new ATOM 888 N ASN A 64 -6.388 12.033 25.555 1.00 0.00 N ATOM 889 CA ASN A 64 -7.846 11.777 25.380 1.00 0.00 C ATOM 890 C ASN A 64 -8.578 13.105 25.177 1.00 0.00 C ATOM 891 O ASN A 64 -7.986 14.104 24.819 1.00 0.00 O ATOM 892 CB ASN A 64 -8.395 11.078 26.625 1.00 0.00 C ATOM 893 CG ASN A 64 -7.382 10.043 27.118 1.00 0.00 C ATOM 894 OD1 ASN A 64 -6.884 9.247 26.346 1.00 0.00 O ATOM 895 ND2 ASN A 64 -7.054 10.019 28.381 1.00 0.00 N ATOM 0 H ASN A 64 -5.986 11.675 26.421 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.000 11.141 24.508 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.594 11.810 27.408 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.343 10.593 26.394 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.380 9.333 28.720 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.472 10.687 29.029 1.00 0.00 H new ATOM 902 N GLU A 65 -9.864 13.124 25.401 1.00 0.00 N ATOM 903 CA GLU A 65 -10.634 14.387 25.220 1.00 0.00 C ATOM 904 C GLU A 65 -10.850 15.052 26.581 1.00 0.00 C ATOM 905 O GLU A 65 -11.290 16.181 26.667 1.00 0.00 O ATOM 906 CB GLU A 65 -11.990 14.070 24.586 1.00 0.00 C ATOM 907 CG GLU A 65 -12.696 15.375 24.212 1.00 0.00 C ATOM 908 CD GLU A 65 -14.172 15.092 23.924 1.00 0.00 C ATOM 909 OE1 GLU A 65 -14.601 13.978 24.174 1.00 0.00 O ATOM 910 OE2 GLU A 65 -14.847 15.995 23.458 1.00 0.00 O ATOM 0 H GLU A 65 -10.414 12.319 25.701 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.078 15.062 24.570 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.853 13.451 23.699 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.604 13.498 25.282 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.605 16.096 25.024 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.222 15.819 23.337 1.00 0.00 H new ATOM 917 N ARG A 66 -10.547 14.361 27.645 1.00 0.00 N ATOM 918 CA ARG A 66 -10.736 14.956 28.998 1.00 0.00 C ATOM 919 C ARG A 66 -10.152 16.370 29.023 1.00 0.00 C ATOM 920 O ARG A 66 -10.872 17.348 29.053 1.00 0.00 O ATOM 921 CB ARG A 66 -10.027 14.091 30.045 1.00 0.00 C ATOM 922 CG ARG A 66 -8.788 13.441 29.425 1.00 0.00 C ATOM 923 CD ARG A 66 -7.595 13.613 30.367 1.00 0.00 C ATOM 924 NE ARG A 66 -6.376 13.031 29.738 1.00 0.00 N ATOM 925 CZ ARG A 66 -5.193 13.317 30.211 1.00 0.00 C ATOM 926 NH1 ARG A 66 -5.071 14.115 31.238 1.00 0.00 N ATOM 927 NH2 ARG A 66 -4.129 12.805 29.656 1.00 0.00 N ATOM 0 H ARG A 66 -10.177 13.411 27.636 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.801 15.000 29.226 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.739 14.702 30.901 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.705 13.323 30.416 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.972 12.382 29.244 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.570 13.896 28.459 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.437 14.670 30.581 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.796 13.121 31.319 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.466 12.408 28.936 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.901 14.517 31.673 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.145 14.336 31.605 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.222 12.182 28.854 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.204 13.028 30.024 1.00 0.00 H new ATOM 941 N GLU A 67 -8.852 16.487 29.011 1.00 0.00 N ATOM 942 CA GLU A 67 -8.226 17.839 29.035 1.00 0.00 C ATOM 943 C GLU A 67 -8.659 18.626 27.795 1.00 0.00 C ATOM 944 O GLU A 67 -8.584 19.838 27.761 1.00 0.00 O ATOM 945 CB GLU A 67 -6.703 17.695 29.041 1.00 0.00 C ATOM 946 CG GLU A 67 -6.250 16.997 27.757 1.00 0.00 C ATOM 947 CD GLU A 67 -5.660 15.628 28.101 1.00 0.00 C ATOM 948 OE1 GLU A 67 -4.589 15.597 28.684 1.00 0.00 O ATOM 949 OE2 GLU A 67 -6.289 14.635 27.776 1.00 0.00 O ATOM 0 H GLU A 67 -8.197 15.705 28.986 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.545 18.371 29.931 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.235 18.676 29.118 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.385 17.121 29.911 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.094 16.881 27.077 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.507 17.606 27.242 1.00 0.00 H new ATOM 956 N ILE A 68 -9.110 17.946 26.777 1.00 0.00 N ATOM 957 CA ILE A 68 -9.546 18.657 25.542 1.00 0.00 C ATOM 958 C ILE A 68 -10.785 19.501 25.848 1.00 0.00 C ATOM 959 O ILE A 68 -10.993 20.547 25.268 1.00 0.00 O ATOM 960 CB ILE A 68 -9.884 17.633 24.456 1.00 0.00 C ATOM 961 CG1 ILE A 68 -8.624 16.843 24.093 1.00 0.00 C ATOM 962 CG2 ILE A 68 -10.404 18.359 23.214 1.00 0.00 C ATOM 963 CD1 ILE A 68 -8.878 16.032 22.821 1.00 0.00 C ATOM 0 H ILE A 68 -9.195 16.930 26.747 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.742 19.305 25.194 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.650 16.951 24.825 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.786 17.524 23.942 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.350 16.178 24.912 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.645 17.630 22.440 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.300 18.924 23.471 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.638 19.041 22.844 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.981 15.470 22.563 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.704 15.341 22.989 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.131 16.707 22.003 1.00 0.00 H new ATOM 975 N GLY A 69 -11.609 19.054 26.756 1.00 0.00 N ATOM 976 CA GLY A 69 -12.834 19.832 27.099 1.00 0.00 C ATOM 977 C GLY A 69 -12.481 21.315 27.220 1.00 0.00 C ATOM 978 O GLY A 69 -13.011 22.148 26.512 1.00 0.00 O ATOM 0 H GLY A 69 -11.487 18.184 27.275 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.594 19.690 26.331 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.256 19.470 28.037 1.00 0.00 H new ATOM 982 N MET A 70 -11.590 21.651 28.111 1.00 0.00 N ATOM 983 CA MET A 70 -11.204 23.081 28.272 1.00 0.00 C ATOM 984 C MET A 70 -10.441 23.535 27.028 1.00 0.00 C ATOM 985 O MET A 70 -10.459 24.694 26.664 1.00 0.00 O ATOM 986 CB MET A 70 -10.313 23.237 29.506 1.00 0.00 C ATOM 987 CG MET A 70 -10.904 22.435 30.667 1.00 0.00 C ATOM 988 SD MET A 70 -11.467 23.570 31.960 1.00 0.00 S ATOM 989 CE MET A 70 -12.176 22.323 33.063 1.00 0.00 C ATOM 0 H MET A 70 -11.113 20.999 28.734 1.00 0.00 H new ATOM 0 HA MET A 70 -12.099 23.691 28.398 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.304 22.888 29.286 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.234 24.289 29.780 1.00 0.00 H new ATOM 0 HG2 MET A 70 -11.737 21.826 30.315 1.00 0.00 H new ATOM 0 HG3 MET A 70 -10.156 21.751 31.069 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.590 22.811 33.945 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.967 21.784 32.542 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.399 21.622 33.367 1.00 0.00 H new ATOM 999 N LEU A 71 -9.776 22.627 26.368 1.00 0.00 N ATOM 1000 CA LEU A 71 -9.020 23.006 25.142 1.00 0.00 C ATOM 1001 C LEU A 71 -9.964 22.971 23.939 1.00 0.00 C ATOM 1002 O LEU A 71 -9.557 23.169 22.812 1.00 0.00 O ATOM 1003 CB LEU A 71 -7.873 22.020 24.919 1.00 0.00 C ATOM 1004 CG LEU A 71 -6.982 22.528 23.785 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -5.697 23.117 24.369 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -6.633 21.367 22.851 1.00 0.00 C ATOM 0 H LEU A 71 -9.724 21.641 26.624 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.612 24.010 25.261 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.290 21.910 25.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.268 21.035 24.673 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.512 23.298 23.225 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.062 23.479 23.560 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.945 23.945 25.034 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.166 22.348 24.930 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.998 21.729 22.042 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.104 20.596 23.411 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.549 20.948 22.433 1.00 0.00 H new ATOM 1018 N GLU A 72 -11.225 22.724 24.171 1.00 0.00 N ATOM 1019 CA GLU A 72 -12.196 22.680 23.045 1.00 0.00 C ATOM 1020 C GLU A 72 -12.878 24.044 22.919 1.00 0.00 C ATOM 1021 O GLU A 72 -13.543 24.330 21.944 1.00 0.00 O ATOM 1022 CB GLU A 72 -13.247 21.600 23.321 1.00 0.00 C ATOM 1023 CG GLU A 72 -14.429 21.775 22.366 1.00 0.00 C ATOM 1024 CD GLU A 72 -15.529 22.585 23.056 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -15.361 22.900 24.223 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.519 22.876 22.406 1.00 0.00 O ATOM 0 H GLU A 72 -11.623 22.551 25.094 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.676 22.445 22.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.808 20.611 23.194 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.589 21.667 24.354 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.104 22.283 21.458 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.815 20.801 22.066 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.718 24.888 23.903 1.00 0.00 N ATOM 1034 CA CYS A 73 -13.355 26.233 23.842 1.00 0.00 C ATOM 1035 C CYS A 73 -12.838 26.993 22.618 1.00 0.00 C ATOM 1036 O CYS A 73 -13.403 27.990 22.222 1.00 0.00 O ATOM 1037 CB CYS A 73 -13.011 27.017 25.111 1.00 0.00 C ATOM 1038 SG CYS A 73 -14.316 26.776 26.341 1.00 0.00 S ATOM 0 H CYS A 73 -12.174 24.703 24.746 1.00 0.00 H new ATOM 0 HA CYS A 73 -14.436 26.118 23.765 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -12.054 26.682 25.510 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.906 28.077 24.879 1.00 0.00 H new ATOM 0 HG CYS A 73 -14.023 27.440 27.420 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.767 26.525 22.024 1.00 0.00 N ATOM 1045 CA VAL A 74 -11.192 27.205 20.819 1.00 0.00 C ATOM 1046 C VAL A 74 -12.316 27.802 19.971 1.00 0.00 C ATOM 1047 O VAL A 74 -13.321 27.168 19.716 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.412 26.174 19.999 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.515 25.379 20.950 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.401 25.227 19.321 1.00 0.00 C ATOM 0 H VAL A 74 -11.261 25.692 22.325 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.527 28.010 21.131 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.806 26.669 19.241 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.950 24.638 20.384 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.824 26.057 21.450 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.131 24.874 21.694 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.854 24.489 18.734 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.997 24.719 20.079 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.059 25.797 18.665 1.00 0.00 H new ATOM 1060 N THR A 75 -12.160 29.023 19.537 1.00 0.00 N ATOM 1061 CA THR A 75 -13.225 29.655 18.712 1.00 0.00 C ATOM 1062 C THR A 75 -13.697 28.648 17.663 1.00 0.00 C ATOM 1063 O THR A 75 -14.814 28.707 17.189 1.00 0.00 O ATOM 1064 CB THR A 75 -12.667 30.902 18.022 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.199 31.814 19.006 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.768 31.566 17.192 1.00 0.00 C ATOM 0 H THR A 75 -11.344 29.607 19.718 1.00 0.00 H new ATOM 0 HA THR A 75 -14.063 29.947 19.345 1.00 0.00 H new ATOM 0 HB THR A 75 -11.844 30.617 17.367 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.046 31.337 19.848 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.369 32.454 16.702 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.128 30.866 16.438 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.593 31.852 17.844 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.854 27.718 17.303 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.252 26.703 16.294 1.00 0.00 C ATOM 1076 C ALA A 76 -13.407 25.335 16.966 1.00 0.00 C ATOM 1077 O ALA A 76 -13.690 25.229 18.142 1.00 0.00 O ATOM 1078 CB ALA A 76 -12.180 26.613 15.207 1.00 0.00 C ATOM 0 H ALA A 76 -11.906 27.620 17.666 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.202 26.997 15.848 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.473 25.868 14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.072 27.583 14.722 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.230 26.324 15.656 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.206 24.293 16.213 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.310 22.920 16.743 1.00 0.00 C ATOM 1086 C GLU A 77 -11.936 22.300 16.670 1.00 0.00 C ATOM 1087 O GLU A 77 -11.182 22.599 15.773 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.243 22.103 15.867 1.00 0.00 C ATOM 1089 CG GLU A 77 -14.205 22.626 14.428 1.00 0.00 C ATOM 1090 CD GLU A 77 -15.125 23.841 14.301 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.821 24.135 15.259 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.119 24.457 13.248 1.00 0.00 O ATOM 0 H GLU A 77 -12.967 24.345 15.223 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.690 22.939 17.764 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.949 21.054 15.889 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.260 22.157 16.255 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.185 22.899 14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.521 21.844 13.737 1.00 0.00 H new ATOM 1099 N LEU A 78 -11.592 21.427 17.556 1.00 0.00 N ATOM 1100 CA LEU A 78 -10.243 20.834 17.439 1.00 0.00 C ATOM 1101 C LEU A 78 -10.308 19.422 16.889 1.00 0.00 C ATOM 1102 O LEU A 78 -11.045 18.572 17.349 1.00 0.00 O ATOM 1103 CB LEU A 78 -9.510 20.841 18.771 1.00 0.00 C ATOM 1104 CG LEU A 78 -8.019 20.915 18.458 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -7.351 21.978 19.323 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -7.372 19.555 18.726 1.00 0.00 C ATOM 0 H LEU A 78 -12.164 21.103 18.336 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.684 21.455 16.739 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.820 21.692 19.377 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.740 19.942 19.343 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.890 21.181 17.409 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.287 22.021 19.090 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.806 22.948 19.123 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.482 21.726 20.375 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.307 19.608 18.502 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.510 19.287 19.773 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.838 18.799 18.094 1.00 0.00 H new ATOM 1118 N LYS A 79 -9.508 19.190 15.898 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.434 17.862 15.251 1.00 0.00 C ATOM 1120 C LYS A 79 -8.093 17.229 15.644 1.00 0.00 C ATOM 1121 O LYS A 79 -7.230 17.906 16.164 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.521 18.068 13.733 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.983 17.983 13.288 1.00 0.00 C ATOM 1124 CD LYS A 79 -11.300 16.560 12.820 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.809 15.733 14.002 1.00 0.00 C ATOM 1126 NZ LYS A 79 -13.237 15.370 13.775 1.00 0.00 N ATOM 0 H LYS A 79 -8.882 19.889 15.497 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.246 17.206 15.564 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.104 19.038 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.929 17.311 13.218 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.640 18.260 14.112 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.169 18.691 12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.051 16.585 12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.408 16.098 12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.207 14.831 14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.709 16.301 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.584 14.808 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.806 16.236 13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.319 14.812 12.901 1.00 0.00 H new ATOM 1140 N PRO A 80 -7.955 15.957 15.399 1.00 0.00 N ATOM 1141 CA PRO A 80 -6.719 15.232 15.740 1.00 0.00 C ATOM 1142 C PRO A 80 -5.517 15.965 15.151 1.00 0.00 C ATOM 1143 O PRO A 80 -4.418 15.908 15.667 1.00 0.00 O ATOM 1144 CB PRO A 80 -6.897 13.844 15.108 1.00 0.00 C ATOM 1145 CG PRO A 80 -8.330 13.783 14.512 1.00 0.00 C ATOM 1146 CD PRO A 80 -8.997 15.147 14.760 1.00 0.00 C ATOM 0 HA PRO A 80 -6.544 15.160 16.814 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.151 13.678 14.331 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.759 13.062 15.855 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.292 13.564 13.445 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.906 12.985 14.981 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.334 15.599 13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.873 15.049 15.402 1.00 0.00 H new ATOM 1154 N ASN A 81 -5.731 16.664 14.079 1.00 0.00 N ATOM 1155 CA ASN A 81 -4.627 17.428 13.439 1.00 0.00 C ATOM 1156 C ASN A 81 -4.192 18.568 14.365 1.00 0.00 C ATOM 1157 O ASN A 81 -3.019 18.833 14.530 1.00 0.00 O ATOM 1158 CB ASN A 81 -5.133 18.014 12.120 1.00 0.00 C ATOM 1159 CG ASN A 81 -4.335 17.434 10.958 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -4.879 17.165 9.905 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -3.061 17.228 11.102 1.00 0.00 N ATOM 0 H ASN A 81 -6.634 16.741 13.611 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.779 16.769 13.254 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.192 17.789 11.994 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.037 19.100 12.133 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.517 16.840 10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.605 17.454 11.986 1.00 0.00 H new ATOM 1168 N SER A 82 -5.135 19.242 14.970 1.00 0.00 N ATOM 1169 CA SER A 82 -4.786 20.373 15.886 1.00 0.00 C ATOM 1170 C SER A 82 -4.444 19.827 17.269 1.00 0.00 C ATOM 1171 O SER A 82 -4.679 18.671 17.563 1.00 0.00 O ATOM 1172 CB SER A 82 -5.974 21.326 16.000 1.00 0.00 C ATOM 1173 OG SER A 82 -7.124 20.698 15.473 1.00 0.00 O ATOM 0 H SER A 82 -6.134 19.059 14.870 1.00 0.00 H new ATOM 0 HA SER A 82 -3.926 20.908 15.483 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.139 21.598 17.043 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.768 22.249 15.458 1.00 0.00 H new ATOM 0 HG SER A 82 -7.221 20.933 14.527 1.00 0.00 H new ATOM 1179 N ARG A 83 -3.892 20.643 18.128 1.00 0.00 N ATOM 1180 CA ARG A 83 -3.546 20.146 19.487 1.00 0.00 C ATOM 1181 C ARG A 83 -3.356 21.327 20.433 1.00 0.00 C ATOM 1182 O ARG A 83 -3.523 22.471 20.059 1.00 0.00 O ATOM 1183 CB ARG A 83 -2.252 19.333 19.418 1.00 0.00 C ATOM 1184 CG ARG A 83 -2.575 17.844 19.559 1.00 0.00 C ATOM 1185 CD ARG A 83 -3.346 17.608 20.857 1.00 0.00 C ATOM 1186 NE ARG A 83 -2.469 16.898 21.840 1.00 0.00 N ATOM 1187 CZ ARG A 83 -1.793 15.830 21.499 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -2.009 15.239 20.352 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -0.935 15.316 22.337 1.00 0.00 N ATOM 0 H ARG A 83 -3.669 21.622 17.948 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.354 19.514 19.857 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.744 19.518 18.471 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.572 19.645 20.210 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.166 17.507 18.707 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.655 17.260 19.560 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.679 18.559 21.272 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.240 17.017 20.658 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.397 17.253 22.794 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.711 15.610 19.711 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.475 14.408 20.098 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.794 15.746 23.251 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.405 14.484 22.078 1.00 0.00 H new ATOM 1203 N LEU A 84 -2.994 21.059 21.655 1.00 0.00 N ATOM 1204 CA LEU A 84 -2.777 22.165 22.624 1.00 0.00 C ATOM 1205 C LEU A 84 -1.360 22.705 22.442 1.00 0.00 C ATOM 1206 O LEU A 84 -0.393 22.019 22.694 1.00 0.00 O ATOM 1207 CB LEU A 84 -2.939 21.643 24.058 1.00 0.00 C ATOM 1208 CG LEU A 84 -3.870 20.428 24.069 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -3.036 19.146 24.050 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -4.729 20.456 25.335 1.00 0.00 C ATOM 0 H LEU A 84 -2.839 20.121 22.024 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.508 22.954 22.448 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.966 21.370 24.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.344 22.428 24.696 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.514 20.456 23.190 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.699 18.281 24.058 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.422 19.125 23.150 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.392 19.118 24.929 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.392 19.591 25.344 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.084 20.427 26.213 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.324 21.369 25.351 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.224 23.926 22.005 1.00 0.00 N ATOM 1223 CA CYS A 85 0.140 24.494 21.813 1.00 0.00 C ATOM 1224 C CYS A 85 0.882 24.478 23.150 1.00 0.00 C ATOM 1225 O CYS A 85 2.085 24.640 23.208 1.00 0.00 O ATOM 1226 CB CYS A 85 0.030 25.933 21.306 1.00 0.00 C ATOM 1227 SG CYS A 85 1.622 26.455 20.622 1.00 0.00 S ATOM 0 H CYS A 85 -1.994 24.553 21.773 1.00 0.00 H new ATOM 0 HA CYS A 85 0.686 23.897 21.083 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.746 26.003 20.544 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.263 26.596 22.121 1.00 0.00 H new ATOM 0 HG CYS A 85 2.585 25.987 21.359 1.00 0.00 H new ATOM 1233 N CYS A 86 0.169 24.287 24.227 1.00 0.00 N ATOM 1234 CA CYS A 86 0.822 24.263 25.565 1.00 0.00 C ATOM 1235 C CYS A 86 0.829 22.833 26.112 1.00 0.00 C ATOM 1236 O CYS A 86 0.778 22.619 27.307 1.00 0.00 O ATOM 1237 CB CYS A 86 0.032 25.155 26.520 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.600 24.421 26.799 1.00 0.00 S ATOM 0 H CYS A 86 -0.841 24.146 24.237 1.00 0.00 H new ATOM 0 HA CYS A 86 1.847 24.623 25.474 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.565 25.259 27.465 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.072 26.156 26.101 1.00 0.00 H new ATOM 1243 N GLN A 87 0.883 21.850 25.255 1.00 0.00 N ATOM 1244 CA GLN A 87 0.882 20.442 25.747 1.00 0.00 C ATOM 1245 C GLN A 87 1.596 19.527 24.747 1.00 0.00 C ATOM 1246 O GLN A 87 1.504 18.319 24.828 1.00 0.00 O ATOM 1247 CB GLN A 87 -0.562 19.968 25.924 1.00 0.00 C ATOM 1248 CG GLN A 87 -0.617 18.892 27.010 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.062 19.521 28.331 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -2.159 19.279 28.794 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.250 20.324 28.963 1.00 0.00 N ATOM 0 H GLN A 87 0.928 21.959 24.242 1.00 0.00 H new ATOM 0 HA GLN A 87 1.407 20.401 26.701 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.201 20.808 26.197 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.943 19.570 24.983 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.310 18.102 26.719 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.363 18.429 27.128 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.671 20.527 28.575 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.536 20.748 29.845 1.00 0.00 H new ATOM 1260 N ILE A 88 2.314 20.084 23.809 1.00 0.00 N ATOM 1261 CA ILE A 88 3.031 19.226 22.821 1.00 0.00 C ATOM 1262 C ILE A 88 4.535 19.362 23.046 1.00 0.00 C ATOM 1263 O ILE A 88 5.014 20.385 23.490 1.00 0.00 O ATOM 1264 CB ILE A 88 2.698 19.656 21.389 1.00 0.00 C ATOM 1265 CG1 ILE A 88 1.407 20.479 21.374 1.00 0.00 C ATOM 1266 CG2 ILE A 88 2.515 18.414 20.516 1.00 0.00 C ATOM 1267 CD1 ILE A 88 0.220 19.568 21.695 1.00 0.00 C ATOM 0 H ILE A 88 2.435 21.089 23.684 1.00 0.00 H new ATOM 0 HA ILE A 88 2.717 18.191 22.958 1.00 0.00 H new ATOM 0 HB ILE A 88 3.515 20.265 21.001 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.468 21.286 22.104 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.270 20.943 20.397 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.278 18.718 19.496 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.436 17.830 20.516 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.701 17.807 20.912 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.700 20.152 21.685 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.156 18.777 20.948 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.358 19.125 22.681 1.00 0.00 H new ATOM 1279 N ILE A 89 5.282 18.337 22.752 1.00 0.00 N ATOM 1280 CA ILE A 89 6.743 18.401 22.956 1.00 0.00 C ATOM 1281 C ILE A 89 7.466 17.957 21.683 1.00 0.00 C ATOM 1282 O ILE A 89 7.044 17.043 21.003 1.00 0.00 O ATOM 1283 CB ILE A 89 7.114 17.466 24.098 1.00 0.00 C ATOM 1284 CG1 ILE A 89 6.343 17.861 25.360 1.00 0.00 C ATOM 1285 CG2 ILE A 89 8.606 17.576 24.356 1.00 0.00 C ATOM 1286 CD1 ILE A 89 6.551 19.349 25.645 1.00 0.00 C ATOM 0 H ILE A 89 4.935 17.454 22.377 1.00 0.00 H new ATOM 0 HA ILE A 89 7.038 19.423 23.193 1.00 0.00 H new ATOM 0 HB ILE A 89 6.858 16.440 23.833 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.281 17.650 25.230 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.685 17.267 26.208 1.00 0.00 H new ATOM 0 HG21 ILE A 89 8.884 16.910 25.173 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.153 17.294 23.456 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.854 18.603 24.625 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.001 19.628 26.544 1.00 0.00 H new ATOM 0 HD12 ILE A 89 7.613 19.546 25.793 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.188 19.935 24.801 1.00 0.00 H new ATOM 1298 N MET A 90 8.560 18.591 21.362 1.00 0.00 N ATOM 1299 CA MET A 90 9.319 18.201 20.142 1.00 0.00 C ATOM 1300 C MET A 90 10.471 17.285 20.547 1.00 0.00 C ATOM 1301 O MET A 90 11.600 17.709 20.694 1.00 0.00 O ATOM 1302 CB MET A 90 9.874 19.449 19.459 1.00 0.00 C ATOM 1303 CG MET A 90 10.978 19.054 18.472 1.00 0.00 C ATOM 1304 SD MET A 90 10.642 19.792 16.856 1.00 0.00 S ATOM 1305 CE MET A 90 9.587 18.469 16.213 1.00 0.00 C ATOM 0 H MET A 90 8.961 19.364 21.893 1.00 0.00 H new ATOM 0 HA MET A 90 8.658 17.680 19.449 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.075 19.973 18.934 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.270 20.137 20.206 1.00 0.00 H new ATOM 0 HG2 MET A 90 11.947 19.390 18.842 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.029 17.969 18.384 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.675 18.429 15.127 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.900 17.515 16.638 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.550 18.665 16.486 1.00 0.00 H new ATOM 1315 N THR A 91 10.188 16.034 20.722 1.00 0.00 N ATOM 1316 CA THR A 91 11.256 15.073 21.115 1.00 0.00 C ATOM 1317 C THR A 91 12.203 14.862 19.931 1.00 0.00 C ATOM 1318 O THR A 91 11.886 15.226 18.816 1.00 0.00 O ATOM 1319 CB THR A 91 10.623 13.736 21.510 1.00 0.00 C ATOM 1320 OG1 THR A 91 9.300 13.669 20.996 1.00 0.00 O ATOM 1321 CG2 THR A 91 10.588 13.616 23.034 1.00 0.00 C ATOM 0 H THR A 91 9.259 15.627 20.611 1.00 0.00 H new ATOM 0 HA THR A 91 11.813 15.471 21.963 1.00 0.00 H new ATOM 0 HB THR A 91 11.214 12.918 21.098 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.895 12.813 21.247 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.137 12.664 23.314 1.00 0.00 H new ATOM 0 HG22 THR A 91 11.604 13.666 23.426 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.998 14.433 23.450 1.00 0.00 H new ATOM 1329 N PRO A 92 13.340 14.277 20.208 1.00 0.00 N ATOM 1330 CA PRO A 92 14.352 14.005 19.173 1.00 0.00 C ATOM 1331 C PRO A 92 13.761 13.108 18.082 1.00 0.00 C ATOM 1332 O PRO A 92 14.323 12.960 17.015 1.00 0.00 O ATOM 1333 CB PRO A 92 15.489 13.288 19.914 1.00 0.00 C ATOM 1334 CG PRO A 92 15.101 13.215 21.414 1.00 0.00 C ATOM 1335 CD PRO A 92 13.707 13.842 21.567 1.00 0.00 C ATOM 0 HA PRO A 92 14.699 14.912 18.679 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.639 12.287 19.508 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.428 13.827 19.787 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.095 12.181 21.758 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.830 13.749 22.024 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.990 13.121 21.959 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.725 14.683 22.260 1.00 0.00 H new ATOM 1343 N GLU A 93 12.629 12.511 18.340 1.00 0.00 N ATOM 1344 CA GLU A 93 12.002 11.628 17.318 1.00 0.00 C ATOM 1345 C GLU A 93 11.334 12.488 16.242 1.00 0.00 C ATOM 1346 O GLU A 93 11.431 12.209 15.063 1.00 0.00 O ATOM 1347 CB GLU A 93 10.951 10.740 17.987 1.00 0.00 C ATOM 1348 CG GLU A 93 11.627 9.840 19.023 1.00 0.00 C ATOM 1349 CD GLU A 93 11.547 8.383 18.565 1.00 0.00 C ATOM 1350 OE1 GLU A 93 10.708 8.091 17.728 1.00 0.00 O ATOM 1351 OE2 GLU A 93 12.325 7.584 19.059 1.00 0.00 O ATOM 0 H GLU A 93 12.112 12.597 19.215 1.00 0.00 H new ATOM 0 HA GLU A 93 12.767 11.002 16.859 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.191 11.357 18.466 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.443 10.132 17.238 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.668 10.135 19.152 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.141 9.955 19.992 1.00 0.00 H new ATOM 1358 N LEU A 94 10.656 13.532 16.636 1.00 0.00 N ATOM 1359 CA LEU A 94 9.985 14.405 15.632 1.00 0.00 C ATOM 1360 C LEU A 94 11.012 15.355 15.013 1.00 0.00 C ATOM 1361 O LEU A 94 12.065 15.594 15.570 1.00 0.00 O ATOM 1362 CB LEU A 94 8.886 15.221 16.317 1.00 0.00 C ATOM 1363 CG LEU A 94 7.618 14.373 16.430 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.278 14.157 17.905 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.458 15.096 15.741 1.00 0.00 C ATOM 0 H LEU A 94 10.538 13.817 17.608 1.00 0.00 H new ATOM 0 HA LEU A 94 9.545 13.785 14.851 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.215 15.536 17.307 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.681 16.127 15.746 1.00 0.00 H new ATOM 0 HG LEU A 94 7.783 13.408 15.950 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.374 13.553 17.985 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.103 13.643 18.397 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.113 15.121 18.385 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.554 14.492 15.821 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.294 16.061 16.221 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.699 15.251 14.689 1.00 0.00 H new ATOM 1377 N ASP A 95 10.715 15.900 13.865 1.00 0.00 N ATOM 1378 CA ASP A 95 11.676 16.836 13.215 1.00 0.00 C ATOM 1379 C ASP A 95 11.034 17.447 11.968 1.00 0.00 C ATOM 1380 O ASP A 95 10.570 16.748 11.089 1.00 0.00 O ATOM 1381 CB ASP A 95 12.942 16.074 12.817 1.00 0.00 C ATOM 1382 CG ASP A 95 12.605 15.061 11.721 1.00 0.00 C ATOM 1383 OD1 ASP A 95 12.211 13.958 12.062 1.00 0.00 O ATOM 1384 OD2 ASP A 95 12.748 15.405 10.559 1.00 0.00 O ATOM 0 H ASP A 95 9.850 15.738 13.350 1.00 0.00 H new ATOM 0 HA ASP A 95 11.935 17.631 13.914 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.702 16.770 12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.359 15.562 13.684 1.00 0.00 H new ATOM 1389 N GLY A 96 11.000 18.749 11.886 1.00 0.00 N ATOM 1390 CA GLY A 96 10.384 19.405 10.699 1.00 0.00 C ATOM 1391 C GLY A 96 8.863 19.305 10.807 1.00 0.00 C ATOM 1392 O GLY A 96 8.176 19.064 9.834 1.00 0.00 O ATOM 0 H GLY A 96 11.372 19.386 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.689 20.450 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.728 18.925 9.783 1.00 0.00 H new ATOM 1396 N ILE A 97 8.332 19.487 11.985 1.00 0.00 N ATOM 1397 CA ILE A 97 6.854 19.399 12.153 1.00 0.00 C ATOM 1398 C ILE A 97 6.218 20.711 11.695 1.00 0.00 C ATOM 1399 O ILE A 97 6.810 21.767 11.798 1.00 0.00 O ATOM 1400 CB ILE A 97 6.508 19.123 13.628 1.00 0.00 C ATOM 1401 CG1 ILE A 97 5.040 19.493 13.903 1.00 0.00 C ATOM 1402 CG2 ILE A 97 7.429 19.937 14.540 1.00 0.00 C ATOM 1403 CD1 ILE A 97 4.906 20.999 14.154 1.00 0.00 C ATOM 0 H ILE A 97 8.856 19.692 12.836 1.00 0.00 H new ATOM 0 HA ILE A 97 6.465 18.580 11.548 1.00 0.00 H new ATOM 0 HB ILE A 97 6.650 18.062 13.832 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.420 19.203 13.055 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.675 18.940 14.768 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.179 19.737 15.582 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.466 19.655 14.355 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.299 20.999 14.333 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.862 21.244 14.347 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.510 21.279 15.017 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.251 21.546 13.277 1.00 0.00 H new ATOM 1415 N VAL A 98 5.018 20.655 11.185 1.00 0.00 N ATOM 1416 CA VAL A 98 4.357 21.902 10.717 1.00 0.00 C ATOM 1417 C VAL A 98 3.144 22.205 11.596 1.00 0.00 C ATOM 1418 O VAL A 98 2.129 21.543 11.520 1.00 0.00 O ATOM 1419 CB VAL A 98 3.902 21.723 9.269 1.00 0.00 C ATOM 1420 CG1 VAL A 98 3.735 23.095 8.615 1.00 0.00 C ATOM 1421 CG2 VAL A 98 4.952 20.917 8.501 1.00 0.00 C ATOM 0 H VAL A 98 4.470 19.802 11.073 1.00 0.00 H new ATOM 0 HA VAL A 98 5.064 22.730 10.780 1.00 0.00 H new ATOM 0 HB VAL A 98 2.950 21.192 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.411 22.969 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.988 23.670 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.687 23.625 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.628 20.789 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.904 21.448 8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.073 19.939 8.967 1.00 0.00 H new ATOM 1431 N VAL A 99 3.235 23.214 12.414 1.00 0.00 N ATOM 1432 CA VAL A 99 2.081 23.576 13.280 1.00 0.00 C ATOM 1433 C VAL A 99 1.355 24.746 12.627 1.00 0.00 C ATOM 1434 O VAL A 99 1.942 25.515 11.892 1.00 0.00 O ATOM 1435 CB VAL A 99 2.553 23.978 14.687 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.214 22.859 15.673 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.066 24.217 14.699 1.00 0.00 C ATOM 0 H VAL A 99 4.060 23.805 12.520 1.00 0.00 H new ATOM 0 HA VAL A 99 1.418 22.717 13.384 1.00 0.00 H new ATOM 0 HB VAL A 99 2.048 24.899 14.976 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.547 23.141 16.672 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.136 22.697 15.683 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.717 21.941 15.368 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.382 24.501 15.703 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.581 23.304 14.401 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.314 25.017 14.001 1.00 0.00 H new ATOM 1447 N ASP A 100 0.088 24.890 12.873 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.649 26.015 12.241 1.00 0.00 C ATOM 1449 C ASP A 100 -1.438 26.775 13.295 1.00 0.00 C ATOM 1450 O ASP A 100 -1.425 26.447 14.465 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.610 25.483 11.173 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.871 24.514 10.245 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -0.067 23.743 10.741 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -1.125 24.560 9.053 1.00 0.00 O ATOM 0 H ASP A 100 -0.467 24.285 13.478 1.00 0.00 H new ATOM 0 HA ASP A 100 0.072 26.685 11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.451 24.977 11.647 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.021 26.311 10.596 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.120 27.795 12.879 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.918 28.604 13.848 1.00 0.00 C ATOM 1461 C VAL A 101 -4.410 28.354 13.617 1.00 0.00 C ATOM 1462 O VAL A 101 -4.837 28.145 12.499 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.593 30.102 13.653 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.641 30.992 14.331 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -1.219 30.399 14.256 1.00 0.00 C ATOM 0 H VAL A 101 -2.164 28.110 11.910 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.665 28.313 14.867 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.598 30.318 12.585 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.384 32.040 14.176 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.622 30.791 13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.663 30.779 15.400 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.983 31.455 14.122 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.230 30.162 15.320 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.464 29.792 13.757 1.00 0.00 H new ATOM 1475 N PRO A 102 -5.161 28.394 14.691 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.615 28.184 14.639 1.00 0.00 C ATOM 1477 C PRO A 102 -7.240 29.142 13.623 1.00 0.00 C ATOM 1478 O PRO A 102 -6.887 30.303 13.566 1.00 0.00 O ATOM 1479 CB PRO A 102 -7.104 28.510 16.046 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.856 28.632 16.950 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.625 28.653 16.040 1.00 0.00 C ATOM 0 HA PRO A 102 -6.883 27.172 14.336 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.673 29.440 16.049 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.769 27.728 16.413 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.905 29.541 17.549 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.804 27.794 17.646 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.113 29.614 16.086 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.901 27.892 16.333 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.166 28.684 12.827 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.793 29.605 11.839 1.00 0.00 C ATOM 1491 C ASP A 103 -9.168 30.898 12.556 1.00 0.00 C ATOM 1492 O ASP A 103 -9.235 31.960 11.968 1.00 0.00 O ATOM 1493 CB ASP A 103 -10.044 28.958 11.244 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.698 28.314 9.901 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -9.204 29.020 9.037 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -9.934 27.125 9.758 1.00 0.00 O ATOM 0 H ASP A 103 -8.512 27.725 12.817 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.094 29.816 11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.438 28.207 11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.824 29.707 11.109 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.396 30.807 13.832 1.00 0.00 N ATOM 1502 CA ARG A 104 -9.751 32.014 14.626 1.00 0.00 C ATOM 1503 C ARG A 104 -8.660 32.244 15.675 1.00 0.00 C ATOM 1504 O ARG A 104 -7.601 31.651 15.620 1.00 0.00 O ATOM 1505 CB ARG A 104 -11.102 31.822 15.336 1.00 0.00 C ATOM 1506 CG ARG A 104 -11.686 30.424 15.060 1.00 0.00 C ATOM 1507 CD ARG A 104 -12.010 30.239 13.574 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.313 31.560 12.933 1.00 0.00 N ATOM 1509 CZ ARG A 104 -13.297 32.312 13.347 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -14.104 31.885 14.280 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -13.489 33.485 12.809 1.00 0.00 N ATOM 0 H ARG A 104 -9.352 29.939 14.366 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.831 32.871 13.957 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.974 31.959 16.410 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.804 32.585 14.999 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.975 29.661 15.377 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.590 30.282 15.652 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.167 29.768 13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.863 29.570 13.463 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.736 31.879 12.154 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.967 30.961 14.689 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.871 32.476 14.600 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.871 33.813 12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.257 34.074 13.131 1.00 0.00 H new ATOM 1525 N GLN A 105 -8.904 33.097 16.632 1.00 0.00 N ATOM 1526 CA GLN A 105 -7.872 33.353 17.679 1.00 0.00 C ATOM 1527 C GLN A 105 -8.531 33.967 18.915 1.00 0.00 C ATOM 1528 O GLN A 105 -7.907 34.689 19.667 1.00 0.00 O ATOM 1529 CB GLN A 105 -6.819 34.319 17.130 1.00 0.00 C ATOM 1530 CG GLN A 105 -7.464 35.681 16.866 1.00 0.00 C ATOM 1531 CD GLN A 105 -6.595 36.476 15.889 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -5.651 35.952 15.333 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -6.877 37.728 15.656 1.00 0.00 N ATOM 0 H GLN A 105 -9.770 33.626 16.735 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.397 32.412 17.955 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -6.000 34.424 17.842 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.391 33.923 16.209 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -8.464 35.548 16.454 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.575 36.230 17.801 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.670 38.168 16.123 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.305 38.267 15.007 1.00 0.00 H new ATOM 1542 N TRP A 106 -9.787 33.682 19.134 1.00 0.00 N ATOM 1543 CA TRP A 106 -10.484 34.246 20.324 1.00 0.00 C ATOM 1544 C TRP A 106 -10.102 35.719 20.495 1.00 0.00 C ATOM 1545 O TRP A 106 -9.694 36.321 19.516 1.00 0.00 O ATOM 1546 CB TRP A 106 -10.072 33.462 21.571 1.00 0.00 C ATOM 1547 CG TRP A 106 -11.003 32.309 21.758 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.697 31.014 21.511 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -12.382 32.323 22.224 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.802 30.231 21.795 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.868 30.994 22.240 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -13.250 33.353 22.631 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -14.172 30.699 22.645 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -14.561 33.058 23.039 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -15.020 31.735 23.046 1.00 0.00 C ATOM 1556 OXT TRP A 106 -10.225 36.218 21.601 1.00 0.00 O ATOM 0 H TRP A 106 -10.360 33.083 18.540 1.00 0.00 H new ATOM 0 HA TRP A 106 -11.562 34.169 20.184 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -9.048 33.104 21.468 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -10.097 34.110 22.447 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.746 30.651 21.151 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.828 29.217 21.689 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -12.906 34.377 22.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.522 29.677 22.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -15.219 33.856 23.349 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.029 31.515 23.361 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.255 27.466 27.310 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.125 25.604 25.747 1.00 0.00 FE HETATM 1570 S1 FES A 107 -4.932 25.398 26.985 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.484 27.690 26.028 1.00 0.00 S