USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot -178:sc= 0.248 USER MOD Single : A 13 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.047) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0917 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -159:sc= -0.333 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -93:sc= 0.605 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 167:sc= 0 (180deg=-0.109) USER MOD Single : A 73 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.3) USER MOD Single : A 78 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -84:sc= 0.0212 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc=-0.00482 X(o=-0.0048,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.46) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0614 K(o=-0.061,f=-0.74) USER MOD Single : A 111 MET CE :methyl 163:sc= -1.1 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.473 -13.014 5.527 1.00 0.00 N ATOM 84 CA TYR A 9 -8.545 -13.697 4.247 1.00 0.00 C ATOM 85 C TYR A 9 -8.167 -15.173 4.390 1.00 0.00 C ATOM 86 O TYR A 9 -7.568 -15.569 5.389 1.00 0.00 O ATOM 87 CB TYR A 9 -7.522 -13.007 3.342 1.00 0.00 C ATOM 88 CG TYR A 9 -8.083 -11.817 2.562 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.330 -11.902 1.976 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.343 -10.658 2.445 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.858 -10.781 1.243 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.871 -9.537 1.711 1.00 0.00 C ATOM 93 CZ TYR A 9 -9.104 -9.655 1.147 1.00 0.00 C ATOM 94 OH TYR A 9 -9.602 -8.596 0.453 1.00 0.00 O ATOM 0 HA TYR A 9 -9.557 -13.651 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.685 -12.667 3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.126 -13.737 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.909 -12.809 2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.368 -10.592 2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.832 -10.834 0.780 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.302 -8.625 1.611 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.941 -7.872 0.442 1.00 0.00 H new ATOM 104 N ILE A 10 -8.535 -15.946 3.380 1.00 0.00 N ATOM 105 CA ILE A 10 -8.242 -17.369 3.381 1.00 0.00 C ATOM 106 C ILE A 10 -6.732 -17.576 3.243 1.00 0.00 C ATOM 107 O ILE A 10 -6.173 -18.505 3.822 1.00 0.00 O ATOM 108 CB ILE A 10 -9.061 -18.086 2.306 1.00 0.00 C ATOM 109 CG1 ILE A 10 -8.557 -17.733 0.905 1.00 0.00 C ATOM 110 CG2 ILE A 10 -10.554 -17.793 2.469 1.00 0.00 C ATOM 111 CD1 ILE A 10 -7.713 -18.869 0.324 1.00 0.00 C ATOM 0 H ILE A 10 -9.034 -15.614 2.555 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.540 -17.817 4.329 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.927 -19.160 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.404 -17.533 0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.964 -16.819 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.114 -18.314 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.887 -18.135 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.726 -16.720 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.367 -18.593 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.853 -19.050 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.316 -19.775 0.260 1.00 0.00 H new ATOM 123 N PHE A 11 -6.115 -16.693 2.471 1.00 0.00 N ATOM 124 CA PHE A 11 -4.681 -16.766 2.249 1.00 0.00 C ATOM 125 C PHE A 11 -3.919 -15.995 3.329 1.00 0.00 C ATOM 126 O PHE A 11 -4.494 -15.156 4.021 1.00 0.00 O ATOM 127 CB PHE A 11 -4.405 -16.122 0.889 1.00 0.00 C ATOM 128 CG PHE A 11 -5.033 -14.736 0.718 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.380 -13.634 1.172 1.00 0.00 C ATOM 130 CD2 PHE A 11 -6.242 -14.608 0.111 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.962 -12.348 1.014 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.826 -13.324 -0.048 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.173 -12.220 0.408 1.00 0.00 C ATOM 0 H PHE A 11 -6.582 -15.923 1.992 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.352 -17.805 2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.327 -16.041 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.780 -16.779 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.418 -13.736 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.759 -15.484 -0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.443 -11.472 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.787 -13.223 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.616 -11.243 0.289 1.00 0.00 H new ATOM 143 N PRO A 12 -2.601 -16.315 3.442 1.00 0.00 N ATOM 144 CA PRO A 12 -1.755 -15.662 4.425 1.00 0.00 C ATOM 145 C PRO A 12 -1.407 -14.236 3.990 1.00 0.00 C ATOM 146 O PRO A 12 -0.827 -14.033 2.926 1.00 0.00 O ATOM 147 CB PRO A 12 -0.535 -16.559 4.551 1.00 0.00 C ATOM 148 CG PRO A 12 -0.526 -17.429 3.305 1.00 0.00 C ATOM 149 CD PRO A 12 -1.887 -17.302 2.639 1.00 0.00 C ATOM 0 HA PRO A 12 -2.247 -15.543 5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.378 -15.968 4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.590 -17.169 5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.264 -17.112 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.324 -18.468 3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.792 -16.976 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.412 -18.257 2.626 1.00 0.00 H new ATOM 157 N HIS A 13 -1.777 -13.287 4.837 1.00 0.00 N ATOM 158 CA HIS A 13 -1.512 -11.887 4.553 1.00 0.00 C ATOM 159 C HIS A 13 -1.208 -11.148 5.858 1.00 0.00 C ATOM 160 O HIS A 13 -1.517 -11.641 6.942 1.00 0.00 O ATOM 161 CB HIS A 13 -2.670 -11.261 3.774 1.00 0.00 C ATOM 162 CG HIS A 13 -3.824 -10.818 4.640 1.00 0.00 C ATOM 163 ND1 HIS A 13 -4.362 -9.543 4.578 1.00 0.00 N ATOM 164 CD2 HIS A 13 -4.538 -11.490 5.587 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.353 -9.464 5.454 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.460 -10.671 6.079 1.00 0.00 N ATOM 0 H HIS A 13 -2.258 -13.460 5.720 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.633 -11.802 3.914 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.297 -10.402 3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.034 -11.982 3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.380 -12.516 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.968 -8.596 5.640 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.137 -10.906 6.805 1.00 0.00 H new ATOM 174 N ALA A 14 -0.604 -9.977 5.710 1.00 0.00 N ATOM 175 CA ALA A 14 -0.255 -9.165 6.863 1.00 0.00 C ATOM 176 C ALA A 14 -1.162 -7.934 6.909 1.00 0.00 C ATOM 177 O ALA A 14 -1.404 -7.298 5.884 1.00 0.00 O ATOM 178 CB ALA A 14 1.228 -8.795 6.796 1.00 0.00 C ATOM 0 H ALA A 14 -0.348 -9.572 4.810 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.411 -9.723 7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.490 -8.186 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.830 -9.704 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.422 -8.232 5.883 1.00 0.00 H new ATOM 184 N ARG A 15 -1.640 -7.635 8.107 1.00 0.00 N ATOM 185 CA ARG A 15 -2.516 -6.490 8.300 1.00 0.00 C ATOM 186 C ARG A 15 -1.952 -5.568 9.382 1.00 0.00 C ATOM 187 O ARG A 15 -2.222 -5.758 10.568 1.00 0.00 O ATOM 188 CB ARG A 15 -3.923 -6.935 8.701 1.00 0.00 C ATOM 189 CG ARG A 15 -4.947 -6.542 7.634 1.00 0.00 C ATOM 190 CD ARG A 15 -6.081 -5.715 8.242 1.00 0.00 C ATOM 191 NE ARG A 15 -7.179 -6.606 8.681 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.210 -6.210 9.441 1.00 0.00 C ATOM 193 NH1 ARG A 15 -8.289 -4.937 9.851 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.160 -7.088 9.789 1.00 0.00 N ATOM 0 H ARG A 15 -1.438 -8.165 8.955 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.574 -5.953 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.939 -8.015 8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.194 -6.482 9.655 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.456 -5.970 6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.355 -7.439 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.708 -5.139 9.089 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.453 -4.999 7.509 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.149 -7.582 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.565 -4.270 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.073 -4.635 10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.099 -8.057 9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.945 -6.788 10.367 1.00 0.00 H new ATOM 208 N ILE A 16 -1.181 -4.587 8.936 1.00 0.00 N ATOM 209 CA ILE A 16 -0.578 -3.633 9.852 1.00 0.00 C ATOM 210 C ILE A 16 -0.937 -2.213 9.412 1.00 0.00 C ATOM 211 O ILE A 16 -1.403 -2.004 8.293 1.00 0.00 O ATOM 212 CB ILE A 16 0.928 -3.879 9.967 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.215 -5.290 10.487 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.595 -2.805 10.827 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.094 -6.323 9.364 1.00 0.00 C ATOM 0 H ILE A 16 -0.960 -4.432 7.952 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.977 -3.766 10.858 1.00 0.00 H new ATOM 0 HB ILE A 16 1.363 -3.808 8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.217 -5.327 10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.518 -5.535 11.288 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.665 -3.004 10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.435 -1.826 10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.162 -2.819 11.827 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.303 -7.317 9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.084 -6.300 8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.809 -6.089 8.576 1.00 0.00 H new ATOM 227 N LYS A 17 -0.708 -1.272 10.317 1.00 0.00 N ATOM 228 CA LYS A 17 -1.002 0.123 10.037 1.00 0.00 C ATOM 229 C LYS A 17 0.306 0.915 9.985 1.00 0.00 C ATOM 230 O LYS A 17 1.299 0.520 10.593 1.00 0.00 O ATOM 231 CB LYS A 17 -2.014 0.671 11.045 1.00 0.00 C ATOM 232 CG LYS A 17 -1.390 1.773 11.904 1.00 0.00 C ATOM 233 CD LYS A 17 -0.447 1.182 12.954 1.00 0.00 C ATOM 234 CE LYS A 17 -1.035 1.323 14.359 1.00 0.00 C ATOM 235 NZ LYS A 17 -1.098 0.005 15.030 1.00 0.00 N ATOM 0 H LYS A 17 -0.322 -1.449 11.245 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.475 0.224 9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.882 1.065 10.517 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.369 -0.137 11.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.842 2.468 11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.177 2.344 12.397 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.267 0.130 12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.518 1.687 12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.425 2.008 14.948 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.034 1.756 14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.500 0.119 15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.699 -0.638 14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.140 -0.393 15.104 1.00 0.00 H new ATOM 249 N ILE A 18 0.264 2.019 9.254 1.00 0.00 N ATOM 250 CA ILE A 18 1.434 2.871 9.116 1.00 0.00 C ATOM 251 C ILE A 18 1.257 4.118 9.983 1.00 0.00 C ATOM 252 O ILE A 18 0.339 4.907 9.763 1.00 0.00 O ATOM 253 CB ILE A 18 1.699 3.180 7.642 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.540 1.925 6.780 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.072 3.831 7.456 1.00 0.00 C ATOM 256 CD1 ILE A 18 2.683 0.940 7.028 1.00 0.00 C ATOM 0 H ILE A 18 -0.562 2.344 8.751 1.00 0.00 H new ATOM 0 HA ILE A 18 2.325 2.356 9.476 1.00 0.00 H new ATOM 0 HB ILE A 18 0.952 3.899 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.587 1.445 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.518 2.204 5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.235 4.040 6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.113 4.762 8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.847 3.154 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.545 0.058 6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.633 1.415 6.781 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.687 0.644 8.077 1.00 0.00 H new ATOM 268 N THR A 19 2.150 4.258 10.952 1.00 0.00 N ATOM 269 CA THR A 19 2.104 5.395 11.854 1.00 0.00 C ATOM 270 C THR A 19 3.147 6.439 11.450 1.00 0.00 C ATOM 271 O THR A 19 4.304 6.103 11.204 1.00 0.00 O ATOM 272 CB THR A 19 2.287 4.875 13.281 1.00 0.00 C ATOM 273 OG1 THR A 19 2.926 3.613 13.111 1.00 0.00 O ATOM 274 CG2 THR A 19 0.957 4.532 13.955 1.00 0.00 C ATOM 0 H THR A 19 2.910 3.602 11.132 1.00 0.00 H new ATOM 0 HA THR A 19 1.142 5.904 11.799 1.00 0.00 H new ATOM 0 HB THR A 19 2.812 5.623 13.875 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.084 3.206 13.988 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.144 4.168 14.965 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.332 5.424 14.001 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.446 3.760 13.380 1.00 0.00 H new ATOM 449 N LEU A 32 5.476 9.871 4.739 1.00 0.00 N ATOM 450 CA LEU A 32 5.458 8.419 4.666 1.00 0.00 C ATOM 451 C LEU A 32 6.443 7.955 3.590 1.00 0.00 C ATOM 452 O LEU A 32 6.145 8.025 2.400 1.00 0.00 O ATOM 453 CB LEU A 32 4.031 7.911 4.454 1.00 0.00 C ATOM 454 CG LEU A 32 3.342 7.313 5.682 1.00 0.00 C ATOM 455 CD1 LEU A 32 2.881 8.412 6.641 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.194 6.391 5.272 1.00 0.00 C ATOM 0 HA LEU A 32 5.789 7.986 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.423 8.738 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.048 7.156 3.668 1.00 0.00 H new ATOM 0 HG LEU A 32 4.069 6.702 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.394 7.960 7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.743 8.992 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.177 9.069 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.722 5.979 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.459 6.957 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.582 5.578 4.659 1.00 0.00 H new ATOM 468 N GLY A 33 7.596 7.491 4.050 1.00 0.00 N ATOM 469 CA GLY A 33 8.626 7.015 3.142 1.00 0.00 C ATOM 470 C GLY A 33 8.305 5.605 2.641 1.00 0.00 C ATOM 471 O GLY A 33 8.954 4.638 3.040 1.00 0.00 O ATOM 0 H GLY A 33 7.839 7.435 5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.712 7.695 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.591 7.014 3.649 1.00 0.00 H new ATOM 475 N ILE A 34 7.308 5.533 1.773 1.00 0.00 N ATOM 476 CA ILE A 34 6.893 4.258 1.213 1.00 0.00 C ATOM 477 C ILE A 34 6.762 4.392 -0.306 1.00 0.00 C ATOM 478 O ILE A 34 6.148 5.337 -0.799 1.00 0.00 O ATOM 479 CB ILE A 34 5.620 3.759 1.898 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.245 2.359 1.408 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.473 4.756 1.717 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.380 1.630 2.438 1.00 0.00 C ATOM 0 H ILE A 34 6.775 6.337 1.443 1.00 0.00 H new ATOM 0 HA ILE A 34 7.648 3.495 1.403 1.00 0.00 H new ATOM 0 HB ILE A 34 5.816 3.683 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.707 2.433 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.150 1.783 1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.580 4.377 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.752 5.715 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.269 4.887 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.128 0.638 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.930 1.536 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.465 2.196 2.610 1.00 0.00 H new ATOM 494 N ARG A 35 7.349 3.432 -1.006 1.00 0.00 N ATOM 495 CA ARG A 35 7.305 3.431 -2.458 1.00 0.00 C ATOM 496 C ARG A 35 6.508 2.226 -2.964 1.00 0.00 C ATOM 497 O ARG A 35 6.996 1.098 -2.931 1.00 0.00 O ATOM 498 CB ARG A 35 8.714 3.387 -3.051 1.00 0.00 C ATOM 499 CG ARG A 35 9.333 4.786 -3.099 1.00 0.00 C ATOM 500 CD ARG A 35 10.661 4.773 -3.858 1.00 0.00 C ATOM 501 NE ARG A 35 10.415 4.604 -5.307 1.00 0.00 N ATOM 502 CZ ARG A 35 11.362 4.284 -6.198 1.00 0.00 C ATOM 503 NH1 ARG A 35 12.626 4.097 -5.794 1.00 0.00 N ATOM 504 NH2 ARG A 35 11.047 4.152 -7.494 1.00 0.00 N ATOM 0 H ARG A 35 7.858 2.650 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 35 6.818 4.353 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.343 2.727 -2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.676 2.967 -4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.641 5.477 -3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.493 5.151 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.201 5.703 -3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.291 3.963 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 35 9.464 4.740 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.867 4.198 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.348 3.853 -6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.085 4.295 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.769 3.908 -8.172 1.00 0.00 H new ATOM 518 N ILE A 36 5.296 2.508 -3.421 1.00 0.00 N ATOM 519 CA ILE A 36 4.429 1.462 -3.933 1.00 0.00 C ATOM 520 C ILE A 36 4.076 1.766 -5.390 1.00 0.00 C ATOM 521 O ILE A 36 3.621 2.864 -5.707 1.00 0.00 O ATOM 522 CB ILE A 36 3.206 1.289 -3.028 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.609 0.717 -1.667 1.00 0.00 C ATOM 524 CG2 ILE A 36 2.133 0.440 -3.713 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.501 0.931 -0.633 1.00 0.00 C ATOM 0 H ILE A 36 4.895 3.446 -3.447 1.00 0.00 H new ATOM 0 HA ILE A 36 4.944 0.501 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 36 2.771 2.272 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.820 -0.348 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.527 1.194 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.275 0.332 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.818 0.927 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.540 -0.545 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.812 0.515 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.309 1.998 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.591 0.432 -0.966 1.00 0.00 H new ATOM 537 N VAL A 37 4.300 0.773 -6.239 1.00 0.00 N ATOM 538 CA VAL A 37 4.012 0.920 -7.655 1.00 0.00 C ATOM 539 C VAL A 37 2.735 0.150 -7.995 1.00 0.00 C ATOM 540 O VAL A 37 2.678 -1.068 -7.830 1.00 0.00 O ATOM 541 CB VAL A 37 5.218 0.473 -8.484 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.848 0.338 -9.963 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.395 1.432 -8.299 1.00 0.00 C ATOM 0 H VAL A 37 4.678 -0.136 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 37 3.835 1.967 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 37 5.526 -0.509 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.723 0.019 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.055 -0.402 -10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.502 1.300 -10.341 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.239 1.092 -8.899 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.103 2.432 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.683 1.456 -7.248 1.00 0.00 H new ATOM 553 N GLY A 38 1.740 0.890 -8.462 1.00 0.00 N ATOM 554 CA GLY A 38 0.468 0.291 -8.827 1.00 0.00 C ATOM 555 C GLY A 38 0.442 -0.083 -10.309 1.00 0.00 C ATOM 556 O GLY A 38 1.263 0.398 -11.089 1.00 0.00 O ATOM 0 H GLY A 38 1.789 1.900 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.294 -0.598 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.341 0.988 -8.610 1.00 0.00 H new ATOM 560 N GLY A 39 -0.511 -0.936 -10.655 1.00 0.00 N ATOM 561 CA GLY A 39 -0.654 -1.380 -12.031 1.00 0.00 C ATOM 562 C GLY A 39 0.506 -2.291 -12.438 1.00 0.00 C ATOM 563 O GLY A 39 1.148 -2.065 -13.463 1.00 0.00 O ATOM 0 H GLY A 39 -1.192 -1.331 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.598 -1.913 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.691 -0.515 -12.694 1.00 0.00 H new ATOM 567 N LYS A 40 0.740 -3.302 -11.614 1.00 0.00 N ATOM 568 CA LYS A 40 1.812 -4.248 -11.875 1.00 0.00 C ATOM 569 C LYS A 40 1.233 -5.663 -11.938 1.00 0.00 C ATOM 570 O LYS A 40 0.332 -6.003 -11.173 1.00 0.00 O ATOM 571 CB LYS A 40 2.932 -4.086 -10.845 1.00 0.00 C ATOM 572 CG LYS A 40 4.228 -4.733 -11.338 1.00 0.00 C ATOM 573 CD LYS A 40 5.009 -3.776 -12.241 1.00 0.00 C ATOM 574 CE LYS A 40 6.493 -4.146 -12.277 1.00 0.00 C ATOM 575 NZ LYS A 40 6.874 -4.630 -13.623 1.00 0.00 N ATOM 0 H LYS A 40 0.206 -3.487 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 40 2.270 -4.048 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.101 -3.027 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.631 -4.540 -9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.844 -5.018 -10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.997 -5.648 -11.884 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.598 -3.806 -13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.894 -2.754 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.097 -3.278 -12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.700 -4.917 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.884 -4.877 -13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.310 -5.471 -13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.695 -3.883 -14.324 1.00 0.00 H new ATOM 589 N GLU A 41 1.775 -6.449 -12.857 1.00 0.00 N ATOM 590 CA GLU A 41 1.324 -7.819 -13.029 1.00 0.00 C ATOM 591 C GLU A 41 1.661 -8.649 -11.788 1.00 0.00 C ATOM 592 O GLU A 41 2.776 -8.579 -11.274 1.00 0.00 O ATOM 593 CB GLU A 41 1.931 -8.442 -14.287 1.00 0.00 C ATOM 594 CG GLU A 41 0.930 -9.368 -14.979 1.00 0.00 C ATOM 595 CD GLU A 41 1.154 -9.386 -16.493 1.00 0.00 C ATOM 596 OE1 GLU A 41 2.209 -9.914 -16.903 1.00 0.00 O ATOM 597 OE2 GLU A 41 0.264 -8.871 -17.204 1.00 0.00 O ATOM 0 H GLU A 41 2.522 -6.163 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 41 0.241 -7.811 -13.154 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.239 -7.654 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.828 -9.003 -14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.029 -10.378 -14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.086 -9.038 -14.762 1.00 0.00 H new ATOM 604 N ILE A 42 0.676 -9.416 -11.343 1.00 0.00 N ATOM 605 CA ILE A 42 0.855 -10.258 -10.173 1.00 0.00 C ATOM 606 C ILE A 42 1.176 -11.686 -10.621 1.00 0.00 C ATOM 607 O ILE A 42 0.596 -12.182 -11.585 1.00 0.00 O ATOM 608 CB ILE A 42 -0.364 -10.162 -9.253 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.747 -8.702 -9.000 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.128 -10.927 -7.949 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.209 -8.587 -8.564 1.00 0.00 C ATOM 0 H ILE A 42 -0.248 -9.472 -11.772 1.00 0.00 H new ATOM 0 HA ILE A 42 1.702 -9.912 -9.580 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.209 -10.634 -9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.100 -8.281 -8.231 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.587 -8.118 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.009 -10.843 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.059 -11.977 -8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.734 -10.507 -7.431 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.456 -7.540 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.854 -8.987 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.360 -9.152 -7.644 1.00 0.00 H new ATOM 623 N PRO A 43 2.124 -12.321 -9.880 1.00 0.00 N ATOM 624 CA PRO A 43 2.528 -13.681 -10.192 1.00 0.00 C ATOM 625 C PRO A 43 1.462 -14.685 -9.751 1.00 0.00 C ATOM 626 O PRO A 43 1.370 -15.021 -8.572 1.00 0.00 O ATOM 627 CB PRO A 43 3.855 -13.871 -9.474 1.00 0.00 C ATOM 628 CG PRO A 43 3.915 -12.781 -8.416 1.00 0.00 C ATOM 629 CD PRO A 43 2.832 -11.764 -8.732 1.00 0.00 C ATOM 0 HA PRO A 43 2.641 -13.851 -11.263 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.915 -14.860 -9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.691 -13.788 -10.169 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.763 -13.204 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.896 -12.306 -8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.162 -11.623 -7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.260 -10.789 -8.966 1.00 0.00 H new ATOM 637 N GLY A 44 0.683 -15.136 -10.724 1.00 0.00 N ATOM 638 CA GLY A 44 -0.374 -16.096 -10.452 1.00 0.00 C ATOM 639 C GLY A 44 -1.641 -15.391 -9.960 1.00 0.00 C ATOM 640 O GLY A 44 -1.925 -15.381 -8.763 1.00 0.00 O ATOM 0 H GLY A 44 0.763 -14.855 -11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.597 -16.663 -11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.037 -16.811 -9.702 1.00 0.00 H new ATOM 644 N HIS A 45 -2.368 -14.820 -10.908 1.00 0.00 N ATOM 645 CA HIS A 45 -3.596 -14.115 -10.587 1.00 0.00 C ATOM 646 C HIS A 45 -4.430 -13.931 -11.858 1.00 0.00 C ATOM 647 O HIS A 45 -5.048 -12.885 -12.052 1.00 0.00 O ATOM 648 CB HIS A 45 -3.296 -12.793 -9.878 1.00 0.00 C ATOM 649 CG HIS A 45 -3.923 -12.673 -8.510 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.246 -12.311 -8.321 1.00 0.00 N ATOM 651 CD2 HIS A 45 -3.398 -12.871 -7.268 1.00 0.00 C ATOM 652 CE1 HIS A 45 -5.494 -12.294 -7.020 1.00 0.00 C ATOM 653 NE2 HIS A 45 -4.347 -12.641 -6.368 1.00 0.00 N ATOM 0 H HIS A 45 -2.130 -14.831 -11.900 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.187 -14.708 -9.889 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.216 -12.681 -9.782 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.648 -11.971 -10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.382 -13.165 -7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.438 -12.049 -6.557 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.237 -12.712 -5.356 1.00 0.00 H new ATOM 661 N SER A 46 -4.419 -14.963 -12.688 1.00 0.00 N ATOM 662 CA SER A 46 -5.166 -14.928 -13.934 1.00 0.00 C ATOM 663 C SER A 46 -4.835 -13.650 -14.707 1.00 0.00 C ATOM 664 O SER A 46 -5.719 -13.030 -15.297 1.00 0.00 O ATOM 665 CB SER A 46 -6.673 -15.016 -13.676 1.00 0.00 C ATOM 666 OG SER A 46 -7.310 -15.939 -14.554 1.00 0.00 O ATOM 0 H SER A 46 -3.905 -15.828 -12.523 1.00 0.00 H new ATOM 0 HA SER A 46 -4.875 -15.792 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.847 -15.318 -12.643 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.120 -14.030 -13.799 1.00 0.00 H new ATOM 0 HG SER A 46 -8.270 -15.968 -14.358 1.00 0.00 H new ATOM 672 N GLY A 47 -3.559 -13.295 -14.679 1.00 0.00 N ATOM 673 CA GLY A 47 -3.099 -12.101 -15.371 1.00 0.00 C ATOM 674 C GLY A 47 -3.845 -10.859 -14.877 1.00 0.00 C ATOM 675 O GLY A 47 -4.630 -10.269 -15.616 1.00 0.00 O ATOM 0 H GLY A 47 -2.829 -13.812 -14.189 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.028 -11.974 -15.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.250 -12.217 -16.444 1.00 0.00 H new ATOM 679 N GLU A 48 -3.573 -10.502 -13.631 1.00 0.00 N ATOM 680 CA GLU A 48 -4.209 -9.342 -13.029 1.00 0.00 C ATOM 681 C GLU A 48 -3.151 -8.344 -12.554 1.00 0.00 C ATOM 682 O GLU A 48 -2.005 -8.718 -12.308 1.00 0.00 O ATOM 683 CB GLU A 48 -5.128 -9.755 -11.879 1.00 0.00 C ATOM 684 CG GLU A 48 -6.000 -8.582 -11.424 1.00 0.00 C ATOM 685 CD GLU A 48 -6.867 -8.067 -12.575 1.00 0.00 C ATOM 686 OE1 GLU A 48 -6.323 -7.298 -13.396 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.055 -8.453 -12.606 1.00 0.00 O ATOM 0 H GLU A 48 -2.921 -10.995 -13.021 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.825 -8.857 -13.786 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.762 -10.583 -12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.530 -10.114 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.636 -8.896 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.367 -7.776 -11.051 1.00 0.00 H new ATOM 694 N ILE A 49 -3.573 -7.093 -12.442 1.00 0.00 N ATOM 695 CA ILE A 49 -2.676 -6.037 -12.002 1.00 0.00 C ATOM 696 C ILE A 49 -2.988 -5.684 -10.546 1.00 0.00 C ATOM 697 O ILE A 49 -4.075 -5.977 -10.052 1.00 0.00 O ATOM 698 CB ILE A 49 -2.746 -4.842 -12.953 1.00 0.00 C ATOM 699 CG1 ILE A 49 -4.198 -4.492 -13.287 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.913 -5.092 -14.211 1.00 0.00 C ATOM 701 CD1 ILE A 49 -4.293 -3.116 -13.950 1.00 0.00 C ATOM 0 H ILE A 49 -4.524 -6.787 -12.648 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.641 -6.378 -12.034 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.314 -3.978 -12.448 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.614 -5.249 -13.951 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.797 -4.503 -12.376 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.980 -4.226 -14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.872 -5.255 -13.932 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.292 -5.973 -14.729 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.335 -2.893 -14.177 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.898 -2.358 -13.273 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.713 -3.116 -14.873 1.00 0.00 H new ATOM 713 N GLY A 50 -2.013 -5.059 -9.901 1.00 0.00 N ATOM 714 CA GLY A 50 -2.170 -4.663 -8.512 1.00 0.00 C ATOM 715 C GLY A 50 -1.103 -3.642 -8.110 1.00 0.00 C ATOM 716 O GLY A 50 -0.499 -3.000 -8.966 1.00 0.00 O ATOM 0 H GLY A 50 -1.112 -4.818 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.162 -4.237 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.099 -5.541 -7.869 1.00 0.00 H new ATOM 720 N ALA A 51 -0.906 -3.524 -6.805 1.00 0.00 N ATOM 721 CA ALA A 51 0.078 -2.593 -6.278 1.00 0.00 C ATOM 722 C ALA A 51 1.005 -3.329 -5.310 1.00 0.00 C ATOM 723 O ALA A 51 0.563 -4.204 -4.567 1.00 0.00 O ATOM 724 CB ALA A 51 -0.639 -1.413 -5.616 1.00 0.00 C ATOM 0 H ALA A 51 -1.411 -4.057 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 51 0.695 -2.191 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.099 -0.715 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.261 -0.905 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.266 -1.778 -4.802 1.00 0.00 H new ATOM 730 N TYR A 52 2.273 -2.948 -5.348 1.00 0.00 N ATOM 731 CA TYR A 52 3.267 -3.562 -4.483 1.00 0.00 C ATOM 732 C TYR A 52 4.322 -2.542 -4.052 1.00 0.00 C ATOM 733 O TYR A 52 4.428 -1.467 -4.639 1.00 0.00 O ATOM 734 CB TYR A 52 3.938 -4.652 -5.320 1.00 0.00 C ATOM 735 CG TYR A 52 4.898 -4.116 -6.384 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.407 -3.660 -7.591 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.256 -4.089 -6.138 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.310 -3.156 -8.592 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.160 -3.584 -7.140 1.00 0.00 C ATOM 740 CZ TYR A 52 6.642 -3.142 -8.317 1.00 0.00 C ATOM 741 OH TYR A 52 7.495 -2.666 -9.263 1.00 0.00 O ATOM 0 H TYR A 52 2.636 -2.221 -5.965 1.00 0.00 H new ATOM 0 HA TYR A 52 2.801 -3.957 -3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.485 -5.321 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.167 -5.248 -5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.345 -3.681 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.641 -4.446 -5.194 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.938 -2.797 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.225 -3.557 -6.960 1.00 0.00 H new ATOM 0 HH TYR A 52 8.415 -2.715 -8.929 1.00 0.00 H new ATOM 751 N ILE A 53 5.077 -2.917 -3.029 1.00 0.00 N ATOM 752 CA ILE A 53 6.121 -2.049 -2.511 1.00 0.00 C ATOM 753 C ILE A 53 7.371 -2.187 -3.382 1.00 0.00 C ATOM 754 O ILE A 53 7.963 -3.263 -3.458 1.00 0.00 O ATOM 755 CB ILE A 53 6.370 -2.334 -1.029 1.00 0.00 C ATOM 756 CG1 ILE A 53 5.115 -2.052 -0.199 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.583 -1.555 -0.517 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.257 -2.616 1.217 1.00 0.00 C ATOM 0 H ILE A 53 4.986 -3.810 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 53 5.809 -1.006 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 53 6.599 -3.394 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.940 -0.977 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.246 -2.495 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.738 -1.776 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.468 -1.847 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.409 -0.486 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.352 -2.402 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.407 -3.694 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.113 -2.153 1.709 1.00 0.00 H new ATOM 770 N ALA A 54 7.736 -1.084 -4.017 1.00 0.00 N ATOM 771 CA ALA A 54 8.906 -1.069 -4.880 1.00 0.00 C ATOM 772 C ALA A 54 10.170 -1.072 -4.018 1.00 0.00 C ATOM 773 O ALA A 54 11.055 -1.903 -4.212 1.00 0.00 O ATOM 774 CB ALA A 54 8.837 0.144 -5.811 1.00 0.00 C ATOM 0 H ALA A 54 7.243 -0.194 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 54 8.933 -1.960 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.714 0.156 -6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.936 0.083 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.812 1.058 -5.217 1.00 0.00 H new ATOM 780 N LYS A 55 10.213 -0.132 -3.085 1.00 0.00 N ATOM 781 CA LYS A 55 11.354 -0.015 -2.193 1.00 0.00 C ATOM 782 C LYS A 55 10.883 0.507 -0.835 1.00 0.00 C ATOM 783 O LYS A 55 9.935 1.287 -0.760 1.00 0.00 O ATOM 784 CB LYS A 55 12.450 0.837 -2.834 1.00 0.00 C ATOM 785 CG LYS A 55 13.263 1.577 -1.768 1.00 0.00 C ATOM 786 CD LYS A 55 14.072 0.596 -0.917 1.00 0.00 C ATOM 787 CE LYS A 55 15.574 0.791 -1.135 1.00 0.00 C ATOM 788 NZ LYS A 55 16.019 0.076 -2.352 1.00 0.00 N ATOM 0 H LYS A 55 9.476 0.555 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 55 11.804 -0.993 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.110 0.202 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.002 1.556 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.935 2.289 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.593 2.152 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.832 0.739 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.794 -0.427 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.799 1.853 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.124 0.423 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.041 0.219 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.822 -0.940 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.507 0.446 -3.179 1.00 0.00 H new ATOM 802 N ILE A 56 11.566 0.056 0.207 1.00 0.00 N ATOM 803 CA ILE A 56 11.229 0.469 1.559 1.00 0.00 C ATOM 804 C ILE A 56 12.329 1.388 2.096 1.00 0.00 C ATOM 805 O ILE A 56 13.456 0.949 2.317 1.00 0.00 O ATOM 806 CB ILE A 56 10.963 -0.752 2.441 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.738 -1.527 1.951 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.835 -0.349 3.911 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.118 -2.346 3.084 1.00 0.00 C ATOM 0 H ILE A 56 12.351 -0.592 0.142 1.00 0.00 H new ATOM 0 HA ILE A 56 10.303 1.044 1.562 1.00 0.00 H new ATOM 0 HB ILE A 56 11.820 -1.422 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.999 -0.832 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.025 -2.189 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.646 -1.236 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.760 0.125 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.008 0.351 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.249 -2.887 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.852 -3.057 3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.810 -1.679 3.889 1.00 0.00 H new ATOM 821 N LEU A 57 11.961 2.646 2.291 1.00 0.00 N ATOM 822 CA LEU A 57 12.902 3.630 2.797 1.00 0.00 C ATOM 823 C LEU A 57 13.510 3.123 4.106 1.00 0.00 C ATOM 824 O LEU A 57 12.970 2.211 4.732 1.00 0.00 O ATOM 825 CB LEU A 57 12.230 4.999 2.922 1.00 0.00 C ATOM 826 CG LEU A 57 12.168 5.834 1.641 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.876 7.303 1.958 1.00 0.00 C ATOM 828 CD2 LEU A 57 13.446 5.669 0.816 1.00 0.00 C ATOM 0 H LEU A 57 11.024 3.006 2.108 1.00 0.00 H new ATOM 0 HA LEU A 57 13.724 3.766 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.213 4.851 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.759 5.574 3.682 1.00 0.00 H new ATOM 0 HG LEU A 57 11.342 5.465 1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.837 7.875 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.918 7.381 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.664 7.701 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.376 6.273 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.304 5.995 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.571 4.621 0.544 1.00 0.00 H new ATOM 840 N PRO A 58 14.652 3.750 4.492 1.00 0.00 N ATOM 841 CA PRO A 58 15.339 3.372 5.716 1.00 0.00 C ATOM 842 C PRO A 58 14.595 3.895 6.945 1.00 0.00 C ATOM 843 O PRO A 58 14.325 5.090 7.050 1.00 0.00 O ATOM 844 CB PRO A 58 16.737 3.949 5.576 1.00 0.00 C ATOM 845 CG PRO A 58 16.643 5.018 4.500 1.00 0.00 C ATOM 846 CD PRO A 58 15.320 4.834 3.776 1.00 0.00 C ATOM 0 HA PRO A 58 15.382 2.292 5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.080 4.374 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.452 3.175 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.701 6.012 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.476 4.931 3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.726 5.748 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.475 4.580 2.727 1.00 0.00 H new ATOM 854 N GLY A 59 14.286 2.974 7.847 1.00 0.00 N ATOM 855 CA GLY A 59 13.579 3.328 9.066 1.00 0.00 C ATOM 856 C GLY A 59 12.423 4.285 8.771 1.00 0.00 C ATOM 857 O GLY A 59 12.129 5.175 9.568 1.00 0.00 O ATOM 0 H GLY A 59 14.512 1.983 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.196 2.426 9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.270 3.793 9.770 1.00 0.00 H new ATOM 861 N GLY A 60 11.796 4.070 7.623 1.00 0.00 N ATOM 862 CA GLY A 60 10.679 4.902 7.213 1.00 0.00 C ATOM 863 C GLY A 60 9.398 4.502 7.948 1.00 0.00 C ATOM 864 O GLY A 60 9.400 3.557 8.735 1.00 0.00 O ATOM 0 H GLY A 60 12.041 3.331 6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.907 5.948 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.529 4.811 6.137 1.00 0.00 H new ATOM 868 N SER A 61 8.334 5.240 7.663 1.00 0.00 N ATOM 869 CA SER A 61 7.050 4.973 8.288 1.00 0.00 C ATOM 870 C SER A 61 6.642 3.519 8.044 1.00 0.00 C ATOM 871 O SER A 61 5.998 2.901 8.891 1.00 0.00 O ATOM 872 CB SER A 61 5.973 5.922 7.758 1.00 0.00 C ATOM 873 OG SER A 61 6.394 7.282 7.798 1.00 0.00 O ATOM 0 H SER A 61 8.335 6.022 7.008 1.00 0.00 H new ATOM 0 HA SER A 61 7.149 5.141 9.360 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.723 5.650 6.733 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.065 5.806 8.349 1.00 0.00 H new ATOM 0 HG SER A 61 5.609 7.868 7.779 1.00 0.00 H new ATOM 879 N ALA A 62 7.034 3.013 6.884 1.00 0.00 N ATOM 880 CA ALA A 62 6.717 1.644 6.519 1.00 0.00 C ATOM 881 C ALA A 62 7.686 0.694 7.228 1.00 0.00 C ATOM 882 O ALA A 62 7.265 -0.163 8.003 1.00 0.00 O ATOM 883 CB ALA A 62 6.767 1.496 4.996 1.00 0.00 C ATOM 0 H ALA A 62 7.569 3.528 6.184 1.00 0.00 H new ATOM 0 HA ALA A 62 5.707 1.386 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.529 0.468 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.041 2.170 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.766 1.744 4.639 1.00 0.00 H new ATOM 889 N GLU A 63 8.965 0.879 6.937 1.00 0.00 N ATOM 890 CA GLU A 63 9.997 0.050 7.537 1.00 0.00 C ATOM 891 C GLU A 63 9.821 0.001 9.056 1.00 0.00 C ATOM 892 O GLU A 63 10.219 -0.968 9.700 1.00 0.00 O ATOM 893 CB GLU A 63 11.391 0.554 7.162 1.00 0.00 C ATOM 894 CG GLU A 63 12.457 -0.497 7.481 1.00 0.00 C ATOM 895 CD GLU A 63 12.427 -1.636 6.460 1.00 0.00 C ATOM 896 OE1 GLU A 63 11.508 -2.474 6.572 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.325 -1.641 5.590 1.00 0.00 O ATOM 0 H GLU A 63 9.311 1.591 6.293 1.00 0.00 H new ATOM 0 HA GLU A 63 9.896 -0.963 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.421 0.797 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.608 1.474 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.443 -0.031 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.291 -0.896 8.482 1.00 0.00 H new ATOM 904 N GLN A 64 9.225 1.060 9.585 1.00 0.00 N ATOM 905 CA GLN A 64 8.992 1.150 11.017 1.00 0.00 C ATOM 906 C GLN A 64 8.205 -0.068 11.504 1.00 0.00 C ATOM 907 O GLN A 64 8.470 -0.591 12.585 1.00 0.00 O ATOM 908 CB GLN A 64 8.268 2.450 11.374 1.00 0.00 C ATOM 909 CG GLN A 64 9.219 3.439 12.051 1.00 0.00 C ATOM 910 CD GLN A 64 8.845 3.641 13.521 1.00 0.00 C ATOM 911 OE1 GLN A 64 9.100 2.806 14.373 1.00 0.00 O ATOM 912 NE2 GLN A 64 8.228 4.793 13.768 1.00 0.00 N ATOM 0 H GLN A 64 8.897 1.863 9.048 1.00 0.00 H new ATOM 0 HA GLN A 64 9.957 1.160 11.523 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.853 2.899 10.472 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.430 2.234 12.037 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.243 3.071 11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.187 4.395 11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.046 5.447 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.937 5.022 14.718 1.00 0.00 H new ATOM 921 N THR A 65 7.252 -0.484 10.683 1.00 0.00 N ATOM 922 CA THR A 65 6.424 -1.630 11.017 1.00 0.00 C ATOM 923 C THR A 65 7.280 -2.894 11.118 1.00 0.00 C ATOM 924 O THR A 65 7.152 -3.660 12.072 1.00 0.00 O ATOM 925 CB THR A 65 5.312 -1.731 9.970 1.00 0.00 C ATOM 926 OG1 THR A 65 5.997 -2.071 8.768 1.00 0.00 O ATOM 927 CG2 THR A 65 4.671 -0.376 9.664 1.00 0.00 C ATOM 0 H THR A 65 7.035 -0.048 9.787 1.00 0.00 H new ATOM 0 HA THR A 65 5.959 -1.511 11.996 1.00 0.00 H new ATOM 0 HB THR A 65 4.546 -2.424 10.319 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.213 -1.254 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.889 -0.504 8.916 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.237 0.035 10.575 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.430 0.308 9.283 1.00 0.00 H new ATOM 935 N GLY A 66 8.133 -3.074 10.121 1.00 0.00 N ATOM 936 CA GLY A 66 9.010 -4.232 10.086 1.00 0.00 C ATOM 937 C GLY A 66 8.346 -5.400 9.352 1.00 0.00 C ATOM 938 O GLY A 66 9.002 -6.116 8.597 1.00 0.00 O ATOM 0 H GLY A 66 8.236 -2.437 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.945 -3.970 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.262 -4.533 11.103 1.00 0.00 H new ATOM 942 N LYS A 67 7.055 -5.556 9.601 1.00 0.00 N ATOM 943 CA LYS A 67 6.296 -6.624 8.974 1.00 0.00 C ATOM 944 C LYS A 67 6.205 -6.365 7.469 1.00 0.00 C ATOM 945 O LYS A 67 5.813 -7.246 6.705 1.00 0.00 O ATOM 946 CB LYS A 67 4.934 -6.785 9.654 1.00 0.00 C ATOM 947 CG LYS A 67 4.776 -8.188 10.241 1.00 0.00 C ATOM 948 CD LYS A 67 3.820 -8.178 11.436 1.00 0.00 C ATOM 949 CE LYS A 67 3.416 -9.602 11.827 1.00 0.00 C ATOM 950 NZ LYS A 67 2.005 -9.858 11.460 1.00 0.00 N ATOM 0 H LYS A 67 6.515 -4.960 10.229 1.00 0.00 H new ATOM 0 HA LYS A 67 6.806 -7.579 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.828 -6.042 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.139 -6.597 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.400 -8.866 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.749 -8.568 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.297 -7.686 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.930 -7.598 11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.065 -10.321 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.551 -9.743 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.746 -10.828 11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.389 -9.183 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.887 -9.743 10.433 1.00 0.00 H new ATOM 964 N LEU A 68 6.572 -5.150 7.088 1.00 0.00 N ATOM 965 CA LEU A 68 6.537 -4.763 5.687 1.00 0.00 C ATOM 966 C LEU A 68 7.888 -5.079 5.041 1.00 0.00 C ATOM 967 O LEU A 68 8.914 -5.102 5.719 1.00 0.00 O ATOM 968 CB LEU A 68 6.116 -3.299 5.547 1.00 0.00 C ATOM 969 CG LEU A 68 4.626 -3.007 5.734 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.875 -3.115 4.405 1.00 0.00 C ATOM 971 CD2 LEU A 68 4.022 -3.913 6.809 1.00 0.00 C ATOM 0 H LEU A 68 6.895 -4.421 7.724 1.00 0.00 H new ATOM 0 HA LEU A 68 5.784 -5.340 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.675 -2.710 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.413 -2.950 4.558 1.00 0.00 H new ATOM 0 HG LEU A 68 4.519 -1.979 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.818 -2.903 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.285 -2.396 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.986 -4.123 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.962 -3.686 6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.140 -4.956 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.533 -3.744 7.757 1.00 0.00 H new ATOM 983 N MET A 69 7.842 -5.316 3.738 1.00 0.00 N ATOM 984 CA MET A 69 9.050 -5.630 2.993 1.00 0.00 C ATOM 985 C MET A 69 8.912 -5.217 1.526 1.00 0.00 C ATOM 986 O MET A 69 7.827 -4.849 1.081 1.00 0.00 O ATOM 987 CB MET A 69 9.324 -7.134 3.076 1.00 0.00 C ATOM 988 CG MET A 69 10.210 -7.464 4.278 1.00 0.00 C ATOM 989 SD MET A 69 11.715 -8.252 3.730 1.00 0.00 S ATOM 990 CE MET A 69 11.170 -9.951 3.668 1.00 0.00 C ATOM 0 H MET A 69 6.989 -5.297 3.180 1.00 0.00 H new ATOM 0 HA MET A 69 9.880 -5.075 3.431 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.381 -7.675 3.155 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.809 -7.470 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.446 -6.552 4.827 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.676 -8.120 4.965 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.994 -10.586 3.341 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.842 -10.264 4.659 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.341 -10.042 2.966 1.00 0.00 H new ATOM 1000 N GLU A 70 10.029 -5.289 0.817 1.00 0.00 N ATOM 1001 CA GLU A 70 10.047 -4.927 -0.591 1.00 0.00 C ATOM 1002 C GLU A 70 9.447 -6.052 -1.436 1.00 0.00 C ATOM 1003 O GLU A 70 9.407 -7.204 -1.006 1.00 0.00 O ATOM 1004 CB GLU A 70 11.466 -4.592 -1.052 1.00 0.00 C ATOM 1005 CG GLU A 70 12.128 -3.588 -0.105 1.00 0.00 C ATOM 1006 CD GLU A 70 13.573 -3.991 0.198 1.00 0.00 C ATOM 1007 OE1 GLU A 70 14.209 -4.556 -0.720 1.00 0.00 O ATOM 1008 OE2 GLU A 70 14.010 -3.725 1.337 1.00 0.00 O ATOM 0 H GLU A 70 10.928 -5.593 1.191 1.00 0.00 H new ATOM 0 HA GLU A 70 9.436 -4.034 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.062 -5.503 -1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.437 -4.181 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.110 -2.594 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.560 -3.530 0.824 1.00 0.00 H new ATOM 1015 N GLY A 71 8.993 -5.680 -2.624 1.00 0.00 N ATOM 1016 CA GLY A 71 8.398 -6.642 -3.534 1.00 0.00 C ATOM 1017 C GLY A 71 7.122 -7.242 -2.938 1.00 0.00 C ATOM 1018 O GLY A 71 6.700 -8.328 -3.332 1.00 0.00 O ATOM 0 H GLY A 71 9.026 -4.724 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.168 -6.157 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.113 -7.437 -3.748 1.00 0.00 H new ATOM 1022 N MET A 72 6.544 -6.508 -1.999 1.00 0.00 N ATOM 1023 CA MET A 72 5.325 -6.954 -1.346 1.00 0.00 C ATOM 1024 C MET A 72 4.088 -6.389 -2.047 1.00 0.00 C ATOM 1025 O MET A 72 3.980 -5.181 -2.244 1.00 0.00 O ATOM 1026 CB MET A 72 5.334 -6.502 0.116 1.00 0.00 C ATOM 1027 CG MET A 72 6.293 -7.355 0.948 1.00 0.00 C ATOM 1028 SD MET A 72 5.513 -8.899 1.389 1.00 0.00 S ATOM 1029 CE MET A 72 5.214 -8.611 3.124 1.00 0.00 C ATOM 0 H MET A 72 6.897 -5.608 -1.675 1.00 0.00 H new ATOM 0 HA MET A 72 5.284 -8.042 -1.399 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.629 -5.454 0.175 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.328 -6.573 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.205 -7.547 0.383 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.584 -6.815 1.849 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.532 -9.370 3.507 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.157 -8.662 3.669 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.771 -7.624 3.258 1.00 0.00 H new ATOM 1039 N GLN A 73 3.186 -7.292 -2.406 1.00 0.00 N ATOM 1040 CA GLN A 73 1.962 -6.899 -3.081 1.00 0.00 C ATOM 1041 C GLN A 73 0.928 -6.408 -2.065 1.00 0.00 C ATOM 1042 O GLN A 73 0.480 -7.173 -1.212 1.00 0.00 O ATOM 1043 CB GLN A 73 1.403 -8.051 -3.918 1.00 0.00 C ATOM 1044 CG GLN A 73 0.052 -7.678 -4.533 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.689 -8.923 -5.023 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.123 -9.992 -5.185 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -1.985 -8.726 -5.251 1.00 0.00 N ATOM 0 H GLN A 73 3.279 -8.294 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 73 2.193 -6.078 -3.760 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.108 -8.306 -4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.290 -8.937 -3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.556 -7.156 -3.794 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.204 -6.990 -5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.396 -7.806 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.567 -9.495 -5.582 1.00 0.00 H new ATOM 1056 N VAL A 74 0.581 -5.136 -2.189 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.391 -4.534 -1.292 1.00 0.00 C ATOM 1058 C VAL A 74 -1.800 -4.774 -1.838 1.00 0.00 C ATOM 1059 O VAL A 74 -2.172 -4.220 -2.871 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.071 -3.051 -1.093 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -0.969 -2.437 -0.017 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.407 -2.850 -0.755 1.00 0.00 C ATOM 0 H VAL A 74 0.956 -4.505 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.341 -4.998 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.272 -2.535 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.721 -1.383 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.013 -2.532 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.813 -2.958 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.608 -1.787 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.646 -3.385 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.022 -3.234 -1.569 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.545 -5.602 -1.120 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.905 -5.922 -1.520 1.00 0.00 C ATOM 1074 C LEU A 75 -4.756 -4.650 -1.485 1.00 0.00 C ATOM 1075 O LEU A 75 -5.369 -4.281 -2.485 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.463 -7.058 -0.660 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.600 -8.319 -0.574 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.924 -9.120 0.689 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.738 -9.165 -1.841 1.00 0.00 C ATOM 0 H LEU A 75 -2.233 -6.061 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.923 -6.290 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.620 -6.679 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.441 -7.337 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.556 -8.014 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.297 -10.011 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.733 -8.505 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.973 -9.415 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.115 -10.055 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.779 -9.462 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.419 -8.582 -2.705 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.765 -4.015 -0.322 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.530 -2.792 -0.142 1.00 0.00 C ATOM 1093 C GLU A 76 -4.729 -1.781 0.680 1.00 0.00 C ATOM 1094 O GLU A 76 -3.770 -2.147 1.358 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.882 -3.082 0.510 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.852 -3.710 -0.492 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.573 -4.912 0.120 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.973 -6.008 0.094 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.710 -4.708 0.601 1.00 0.00 O ATOM 0 H GLU A 76 -4.255 -4.324 0.505 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.723 -2.360 -1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.744 -3.753 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.306 -2.158 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.583 -2.967 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.308 -4.023 -1.383 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.153 -0.528 0.594 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.486 0.538 1.322 1.00 0.00 C ATOM 1108 C TRP A 77 -5.563 1.467 1.889 1.00 0.00 C ATOM 1109 O TRP A 77 -6.336 2.058 1.138 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.481 1.267 0.429 1.00 0.00 C ATOM 1111 CG TRP A 77 -2.914 2.547 1.045 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.399 3.792 0.952 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.727 2.657 1.859 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.616 4.694 1.643 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.565 3.981 2.213 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.820 1.671 2.283 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.507 4.440 3.006 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.234 2.146 3.075 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.410 3.475 3.440 1.00 0.00 C ATOM 0 H TRP A 77 -5.949 -0.228 0.032 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.902 0.134 2.148 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.657 0.591 0.200 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.963 1.514 -0.517 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.291 4.057 0.405 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.778 5.698 1.722 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.927 0.629 2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.403 5.482 3.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.961 1.428 3.426 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.250 3.762 4.055 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.577 1.565 3.210 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.546 2.410 3.888 1.00 0.00 C ATOM 1132 C ASN A 78 -7.958 1.930 3.552 1.00 0.00 C ATOM 1133 O ASN A 78 -8.898 2.723 3.526 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.420 3.865 3.432 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.969 4.764 4.585 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -6.071 4.420 5.751 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -5.467 5.932 4.196 1.00 0.00 N ATOM 0 H ASN A 78 -4.933 1.073 3.829 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.356 2.349 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.705 3.932 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.379 4.214 3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.139 6.603 4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.410 6.157 3.203 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.064 0.633 3.303 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.347 0.038 2.970 1.00 0.00 C ATOM 1146 C GLY A 79 -9.544 -0.029 1.454 1.00 0.00 C ATOM 1147 O GLY A 79 -9.953 -1.060 0.922 1.00 0.00 O ATOM 0 H GLY A 79 -7.283 -0.022 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.407 -0.965 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.150 0.622 3.419 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.242 1.083 0.800 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.380 1.163 -0.643 1.00 0.00 C ATOM 1153 C ILE A 80 -8.403 0.187 -1.301 1.00 0.00 C ATOM 1154 O ILE A 80 -7.199 0.244 -1.049 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.217 2.609 -1.118 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.135 3.550 -0.335 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.437 2.719 -2.627 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.334 4.401 0.653 1.00 0.00 C ATOM 0 H ILE A 80 -8.902 1.936 1.244 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.383 0.863 -0.946 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.191 2.920 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.672 4.199 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.883 2.969 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.315 3.757 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.709 2.097 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.444 2.382 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.010 5.061 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.817 3.750 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.603 4.999 0.109 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.970 -0.710 -2.150 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.162 -1.697 -2.846 1.00 0.00 C ATOM 1172 C PRO A 81 -7.376 -1.056 -3.992 1.00 0.00 C ATOM 1173 O PRO A 81 -7.804 -0.049 -4.554 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.149 -2.751 -3.319 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.518 -2.088 -3.281 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.391 -0.807 -2.472 1.00 0.00 C ATOM 0 HA PRO A 81 -7.400 -2.142 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.907 -3.089 -4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.122 -3.629 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.865 -1.869 -4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.253 -2.754 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.727 0.058 -3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.000 -0.847 -1.569 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.242 -1.665 -4.303 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.393 -1.165 -5.370 1.00 0.00 C ATOM 1186 C LEU A 82 -5.346 -2.195 -6.502 1.00 0.00 C ATOM 1187 O LEU A 82 -4.545 -2.069 -7.427 1.00 0.00 O ATOM 1188 CB LEU A 82 -4.014 -0.786 -4.826 1.00 0.00 C ATOM 1189 CG LEU A 82 -4.007 0.047 -3.543 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.578 0.275 -3.047 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.763 1.363 -3.738 1.00 0.00 C ATOM 0 H LEU A 82 -5.891 -2.500 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.807 -0.248 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.452 -1.702 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.480 -0.233 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.532 -0.513 -2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.600 0.870 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.106 -0.686 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.008 0.804 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.742 1.935 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.289 1.941 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.797 1.152 -4.011 1.00 0.00 H new ATOM 1203 N THR A 83 -6.213 -3.190 -6.390 1.00 0.00 N ATOM 1204 CA THR A 83 -6.280 -4.241 -7.392 1.00 0.00 C ATOM 1205 C THR A 83 -7.174 -3.810 -8.557 1.00 0.00 C ATOM 1206 O THR A 83 -8.347 -3.495 -8.359 1.00 0.00 O ATOM 1207 CB THR A 83 -6.754 -5.522 -6.702 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.674 -5.871 -5.840 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.854 -6.704 -7.669 1.00 0.00 C ATOM 0 H THR A 83 -6.875 -3.291 -5.621 1.00 0.00 H new ATOM 0 HA THR A 83 -5.301 -4.435 -7.830 1.00 0.00 H new ATOM 0 HB THR A 83 -7.725 -5.347 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.897 -6.691 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.194 -7.588 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.564 -6.467 -8.461 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.875 -6.900 -8.106 1.00 0.00 H new ATOM 1217 N SER A 84 -6.587 -3.813 -9.744 1.00 0.00 N ATOM 1218 CA SER A 84 -7.316 -3.427 -10.940 1.00 0.00 C ATOM 1219 C SER A 84 -7.296 -1.905 -11.097 1.00 0.00 C ATOM 1220 O SER A 84 -8.259 -1.315 -11.585 1.00 0.00 O ATOM 1221 CB SER A 84 -8.758 -3.936 -10.894 1.00 0.00 C ATOM 1222 OG SER A 84 -9.322 -4.060 -12.197 1.00 0.00 O ATOM 0 H SER A 84 -5.615 -4.077 -9.904 1.00 0.00 H new ATOM 0 HA SER A 84 -6.826 -3.881 -11.801 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.785 -4.904 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.365 -3.253 -10.300 1.00 0.00 H new ATOM 0 HG SER A 84 -10.242 -4.389 -12.125 1.00 0.00 H new ATOM 1228 N LYS A 85 -6.188 -1.313 -10.676 1.00 0.00 N ATOM 1229 CA LYS A 85 -6.030 0.128 -10.764 1.00 0.00 C ATOM 1230 C LYS A 85 -4.772 0.451 -11.576 1.00 0.00 C ATOM 1231 O LYS A 85 -4.262 -0.403 -12.301 1.00 0.00 O ATOM 1232 CB LYS A 85 -6.037 0.754 -9.368 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.143 0.150 -8.502 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.511 0.714 -8.887 1.00 0.00 C ATOM 1235 CE LYS A 85 -9.330 1.066 -7.643 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.644 1.629 -8.029 1.00 0.00 N ATOM 0 H LYS A 85 -5.391 -1.806 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.874 0.572 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.070 0.597 -8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.181 1.831 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.148 -0.934 -8.616 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.942 0.359 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.381 1.603 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.053 -0.016 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.475 0.175 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.784 1.786 -7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.187 1.862 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.500 2.491 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.169 0.930 -8.592 1.00 0.00 H new ATOM 1250 N THR A 86 -4.311 1.683 -11.427 1.00 0.00 N ATOM 1251 CA THR A 86 -3.124 2.128 -12.137 1.00 0.00 C ATOM 1252 C THR A 86 -2.206 2.916 -11.200 1.00 0.00 C ATOM 1253 O THR A 86 -2.670 3.529 -10.241 1.00 0.00 O ATOM 1254 CB THR A 86 -3.576 2.930 -13.359 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.457 3.914 -12.822 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.462 2.111 -14.301 1.00 0.00 C ATOM 0 H THR A 86 -4.738 2.387 -10.825 1.00 0.00 H new ATOM 0 HA THR A 86 -2.532 1.282 -12.486 1.00 0.00 H new ATOM 0 HB THR A 86 -2.702 3.288 -13.902 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.355 3.533 -12.729 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.755 2.726 -15.152 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.909 1.241 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.353 1.781 -13.767 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.919 2.872 -11.511 1.00 0.00 N ATOM 1265 CA TYR A 87 0.070 3.573 -10.708 1.00 0.00 C ATOM 1266 C TYR A 87 -0.475 4.919 -10.222 1.00 0.00 C ATOM 1267 O TYR A 87 -0.515 5.178 -9.020 1.00 0.00 O ATOM 1268 CB TYR A 87 1.263 3.824 -11.632 1.00 0.00 C ATOM 1269 CG TYR A 87 2.403 4.606 -10.978 1.00 0.00 C ATOM 1270 CD1 TYR A 87 3.255 3.976 -10.095 1.00 0.00 C ATOM 1271 CD2 TYR A 87 2.579 5.943 -11.271 1.00 0.00 C ATOM 1272 CE1 TYR A 87 4.329 4.712 -9.479 1.00 0.00 C ATOM 1273 CE2 TYR A 87 3.652 6.680 -10.655 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.474 6.028 -9.790 1.00 0.00 C ATOM 1275 OH TYR A 87 5.488 6.723 -9.209 1.00 0.00 O ATOM 0 H TYR A 87 -0.538 2.362 -12.308 1.00 0.00 H new ATOM 0 HA TYR A 87 0.338 2.986 -9.830 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.647 2.865 -11.981 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.920 4.369 -12.511 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.117 2.930 -9.865 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.912 6.437 -11.962 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.003 4.230 -8.786 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.800 7.727 -10.875 1.00 0.00 H new ATOM 0 HH TYR A 87 5.471 7.651 -9.524 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.879 5.738 -11.181 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.419 7.050 -10.864 1.00 0.00 C ATOM 1287 C GLU A 88 -2.533 6.929 -9.823 1.00 0.00 C ATOM 1288 O GLU A 88 -2.382 7.385 -8.691 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.922 7.754 -12.127 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.842 8.669 -12.712 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.239 10.140 -12.576 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -1.891 10.640 -13.517 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -0.879 10.731 -11.535 1.00 0.00 O ATOM 0 H GLU A 88 -0.844 5.520 -12.177 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.620 7.659 -10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.216 7.012 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.811 8.339 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.104 8.495 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.685 8.426 -13.763 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.627 6.312 -10.243 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.767 6.125 -9.361 1.00 0.00 C ATOM 1302 C GLU A 89 -4.295 5.730 -7.961 1.00 0.00 C ATOM 1303 O GLU A 89 -4.491 6.474 -7.002 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.734 5.085 -9.929 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.503 5.645 -11.127 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.650 4.714 -11.526 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.349 3.540 -11.829 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.802 5.199 -11.521 1.00 0.00 O ATOM 0 H GLU A 89 -3.749 5.935 -11.183 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.305 7.070 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.180 4.196 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.436 4.775 -9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.898 6.631 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.825 5.775 -11.971 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.680 4.558 -7.887 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.178 4.055 -6.620 1.00 0.00 C ATOM 1317 C VAL A 90 -2.473 5.186 -5.870 1.00 0.00 C ATOM 1318 O VAL A 90 -2.843 5.515 -4.745 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.276 2.842 -6.860 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.722 2.302 -5.539 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -3.019 1.749 -7.629 1.00 0.00 C ATOM 0 H VAL A 90 -3.518 3.943 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.000 3.713 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.433 3.167 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.084 1.440 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.139 3.079 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.548 2.002 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.355 0.899 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.889 1.429 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.343 2.139 -8.594 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.469 5.751 -6.525 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.708 6.839 -5.934 1.00 0.00 C ATOM 1333 C GLN A 91 -1.638 7.785 -5.172 1.00 0.00 C ATOM 1334 O GLN A 91 -1.404 8.084 -4.002 1.00 0.00 O ATOM 1335 CB GLN A 91 0.089 7.593 -7.000 1.00 0.00 C ATOM 1336 CG GLN A 91 1.559 7.722 -6.597 1.00 0.00 C ATOM 1337 CD GLN A 91 2.011 9.183 -6.632 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.686 9.981 -5.769 1.00 0.00 O ATOM 1339 NE2 GLN A 91 2.778 9.487 -7.676 1.00 0.00 N ATOM 0 H GLN A 91 -1.165 5.476 -7.459 1.00 0.00 H new ATOM 0 HA GLN A 91 0.005 6.415 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.014 7.069 -7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.340 8.584 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.702 7.317 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.178 7.130 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.012 8.770 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.132 10.437 -7.790 1.00 0.00 H new ATOM 1348 N SER A 92 -2.674 8.231 -5.868 1.00 0.00 N ATOM 1349 CA SER A 92 -3.641 9.137 -5.272 1.00 0.00 C ATOM 1350 C SER A 92 -4.260 8.498 -4.027 1.00 0.00 C ATOM 1351 O SER A 92 -4.464 9.169 -3.017 1.00 0.00 O ATOM 1352 CB SER A 92 -4.735 9.512 -6.274 1.00 0.00 C ATOM 1353 OG SER A 92 -4.726 10.905 -6.577 1.00 0.00 O ATOM 0 H SER A 92 -2.865 7.982 -6.839 1.00 0.00 H new ATOM 0 HA SER A 92 -3.120 10.050 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.598 8.940 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.708 9.235 -5.869 1.00 0.00 H new ATOM 0 HG SER A 92 -5.437 11.104 -7.221 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.540 7.208 -4.141 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.131 6.471 -3.036 1.00 0.00 C ATOM 1361 C ILE A 93 -4.166 6.478 -1.850 1.00 0.00 C ATOM 1362 O ILE A 93 -4.594 6.526 -0.697 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.540 5.067 -3.487 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -6.764 5.120 -4.404 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.764 4.149 -2.285 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -6.924 3.813 -5.183 1.00 0.00 C ATOM 0 H ILE A 93 -4.369 6.654 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.049 6.955 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.721 4.643 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.659 5.306 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.665 5.953 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.054 3.158 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.843 4.076 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.555 4.558 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.801 3.878 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.038 3.643 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.047 2.986 -4.484 1.00 0.00 H new ATOM 1378 N ILE A 94 -2.882 6.430 -2.171 1.00 0.00 N ATOM 1379 CA ILE A 94 -1.852 6.431 -1.145 1.00 0.00 C ATOM 1380 C ILE A 94 -1.539 7.874 -0.745 1.00 0.00 C ATOM 1381 O ILE A 94 -1.801 8.279 0.387 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.628 5.644 -1.615 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -0.989 4.704 -2.768 1.00 0.00 C ATOM 1384 CG2 ILE A 94 0.024 4.896 -0.449 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.039 3.504 -2.815 1.00 0.00 C ATOM 0 H ILE A 94 -2.530 6.390 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.206 5.921 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 94 0.108 6.353 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.015 4.356 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.943 5.246 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.892 4.344 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.339 5.611 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.694 4.199 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.317 2.852 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.983 3.855 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.106 2.950 -1.879 1.00 0.00 H new ATOM 1397 N SER A 95 -0.982 8.611 -1.695 1.00 0.00 N ATOM 1398 CA SER A 95 -0.631 10.000 -1.455 1.00 0.00 C ATOM 1399 C SER A 95 -1.844 10.763 -0.921 1.00 0.00 C ATOM 1400 O SER A 95 -2.985 10.391 -1.194 1.00 0.00 O ATOM 1401 CB SER A 95 -0.106 10.663 -2.730 1.00 0.00 C ATOM 1402 OG SER A 95 0.822 11.706 -2.446 1.00 0.00 O ATOM 0 H SER A 95 -0.765 8.272 -2.632 1.00 0.00 H new ATOM 0 HA SER A 95 0.163 10.027 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.374 9.912 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.943 11.067 -3.299 1.00 0.00 H new ATOM 0 HG SER A 95 1.135 12.103 -3.286 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.557 11.815 -0.169 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.612 12.633 0.406 1.00 0.00 C ATOM 1410 C GLN A 96 -3.569 11.766 1.227 1.00 0.00 C ATOM 1411 O GLN A 96 -4.420 11.076 0.669 1.00 0.00 O ATOM 1412 CB GLN A 96 -3.365 13.402 -0.682 1.00 0.00 C ATOM 1413 CG GLN A 96 -3.890 14.735 -0.148 1.00 0.00 C ATOM 1414 CD GLN A 96 -3.967 15.781 -1.262 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.032 16.155 -1.725 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -2.783 16.230 -1.665 1.00 0.00 N ATOM 0 H GLN A 96 -0.610 12.120 0.056 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.155 13.365 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.704 13.581 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.197 12.800 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.878 14.592 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.238 15.094 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.929 15.874 -1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.728 16.930 -2.405 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.397 11.831 2.539 1.00 0.00 N ATOM 1426 CA GLN A 97 -4.234 11.060 3.442 1.00 0.00 C ATOM 1427 C GLN A 97 -4.407 11.803 4.768 1.00 0.00 C ATOM 1428 O GLN A 97 -4.145 13.002 4.852 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.654 9.663 3.669 1.00 0.00 C ATOM 1430 CG GLN A 97 -2.367 9.729 4.493 1.00 0.00 C ATOM 1431 CD GLN A 97 -1.141 9.461 3.618 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -0.997 8.413 3.011 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -0.269 10.465 3.588 1.00 0.00 N ATOM 0 H GLN A 97 -2.690 12.406 2.998 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.215 10.940 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.387 9.041 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.451 9.190 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.279 10.711 4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.410 8.997 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.452 11.315 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.583 10.384 3.032 1.00 0.00 H new ATOM 1442 N SER A 98 -4.849 11.060 5.773 1.00 0.00 N ATOM 1443 CA SER A 98 -5.061 11.634 7.091 1.00 0.00 C ATOM 1444 C SER A 98 -4.150 10.949 8.111 1.00 0.00 C ATOM 1445 O SER A 98 -4.614 10.156 8.929 1.00 0.00 O ATOM 1446 CB SER A 98 -6.526 11.507 7.517 1.00 0.00 C ATOM 1447 OG SER A 98 -7.244 12.723 7.327 1.00 0.00 O ATOM 0 H SER A 98 -5.066 10.066 5.701 1.00 0.00 H new ATOM 0 HA SER A 98 -4.814 12.695 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.002 10.711 6.944 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.575 11.217 8.567 1.00 0.00 H new ATOM 0 HG SER A 98 -8.175 12.601 7.609 1.00 0.00 H new ATOM 1453 N GLY A 99 -2.870 11.281 8.031 1.00 0.00 N ATOM 1454 CA GLY A 99 -1.890 10.708 8.938 1.00 0.00 C ATOM 1455 C GLY A 99 -1.656 9.229 8.629 1.00 0.00 C ATOM 1456 O GLY A 99 -1.426 8.860 7.478 1.00 0.00 O ATOM 0 H GLY A 99 -2.489 11.940 7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.950 11.254 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.233 10.818 9.967 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.723 8.420 9.677 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.521 6.989 9.532 1.00 0.00 C ATOM 1462 C GLU A 100 -2.453 6.427 8.456 1.00 0.00 C ATOM 1463 O GLU A 100 -3.222 7.171 7.847 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.727 6.269 10.866 1.00 0.00 C ATOM 1465 CG GLU A 100 -3.107 6.578 11.448 1.00 0.00 C ATOM 1466 CD GLU A 100 -4.158 5.598 10.920 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -3.856 4.386 10.924 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -5.239 6.086 10.522 1.00 0.00 O ATOM 0 H GLU A 100 -1.914 8.729 10.630 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.491 6.817 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.621 5.194 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.954 6.574 11.571 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.067 6.523 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.394 7.598 11.191 1.00 0.00 H new ATOM 1475 N ALA A 101 -2.356 5.122 8.256 1.00 0.00 N ATOM 1476 CA ALA A 101 -3.179 4.453 7.265 1.00 0.00 C ATOM 1477 C ALA A 101 -2.946 2.943 7.348 1.00 0.00 C ATOM 1478 O ALA A 101 -1.853 2.499 7.698 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.868 5.015 5.876 1.00 0.00 C ATOM 0 H ALA A 101 -1.719 4.509 8.765 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.236 4.635 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.487 4.512 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.080 6.084 5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.816 4.850 5.644 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.989 2.196 7.020 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.911 0.745 7.054 1.00 0.00 C ATOM 1487 C GLU A 102 -3.355 0.212 5.731 1.00 0.00 C ATOM 1488 O GLU A 102 -3.748 0.670 4.659 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.277 0.129 7.360 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.244 -0.648 8.678 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.543 -0.450 9.463 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.562 -1.031 9.031 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.487 0.277 10.479 1.00 0.00 O ATOM 0 H GLU A 102 -4.893 2.568 6.729 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.231 0.457 7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.030 0.915 7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.570 -0.537 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.095 -1.709 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.397 -0.316 9.279 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.447 -0.746 5.850 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.833 -1.345 4.678 1.00 0.00 C ATOM 1502 C ILE A 103 -2.089 -2.853 4.688 1.00 0.00 C ATOM 1503 O ILE A 103 -1.572 -3.569 5.544 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.352 -0.973 4.601 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.361 -1.782 3.515 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.324 -1.126 5.965 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.739 -1.193 3.207 1.00 0.00 C ATOM 0 H ILE A 103 -2.122 -1.122 6.741 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.285 -0.951 3.768 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.279 0.078 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.468 -2.817 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.244 -1.793 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.377 -0.855 5.882 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.163 -0.472 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.241 -2.160 6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.224 -1.787 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.626 -0.166 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.350 -1.206 4.109 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.887 -3.293 3.726 1.00 0.00 N ATOM 1520 CA CYS A 104 -3.219 -4.703 3.613 1.00 0.00 C ATOM 1521 C CYS A 104 -2.343 -5.316 2.519 1.00 0.00 C ATOM 1522 O CYS A 104 -2.602 -5.127 1.332 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.708 -4.914 3.337 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.709 -3.999 4.565 1.00 0.00 S ATOM 0 H CYS A 104 -3.314 -2.697 3.017 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.019 -5.203 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.951 -4.573 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.947 -5.977 3.380 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.972 -4.184 4.319 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.322 -6.038 2.959 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.406 -6.680 2.031 1.00 0.00 C ATOM 1532 C VAL A 105 -0.452 -8.194 2.241 1.00 0.00 C ATOM 1533 O VAL A 105 -0.944 -8.667 3.264 1.00 0.00 O ATOM 1534 CB VAL A 105 0.998 -6.096 2.194 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.200 -5.538 3.605 1.00 0.00 C ATOM 1536 CG2 VAL A 105 2.068 -7.138 1.860 1.00 0.00 C ATOM 0 H VAL A 105 -1.109 -6.192 3.945 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.707 -6.486 1.001 1.00 0.00 H new ATOM 0 HB VAL A 105 1.101 -5.271 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.206 -5.129 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.470 -4.750 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.067 -6.337 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.057 -6.697 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.965 -7.992 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.945 -7.468 0.829 1.00 0.00 H new ATOM 1546 N ARG A 106 0.069 -8.913 1.257 1.00 0.00 N ATOM 1547 CA ARG A 106 0.093 -10.364 1.322 1.00 0.00 C ATOM 1548 C ARG A 106 1.390 -10.844 1.975 1.00 0.00 C ATOM 1549 O ARG A 106 2.393 -10.134 1.968 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.025 -10.980 -0.073 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.134 -12.505 0.007 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.513 -13.099 -1.350 1.00 0.00 C ATOM 1553 NE ARG A 106 -0.815 -14.542 -1.204 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.192 -15.335 -2.215 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -1.318 -14.834 -3.451 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -1.445 -16.632 -1.990 1.00 0.00 N ATOM 0 H ARG A 106 0.478 -8.517 0.410 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.760 -10.683 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.901 -10.576 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.844 -10.705 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.816 -12.924 0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.882 -12.781 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.379 -12.577 -1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.304 -12.960 -2.058 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.731 -14.957 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.127 -13.847 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.605 -15.440 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.350 -17.014 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.732 -17.237 -2.760 1.00 0.00 H new ATOM 1570 N LEU A 107 1.328 -12.048 2.526 1.00 0.00 N ATOM 1571 CA LEU A 107 2.485 -12.632 3.182 1.00 0.00 C ATOM 1572 C LEU A 107 3.406 -13.250 2.129 1.00 0.00 C ATOM 1573 O LEU A 107 4.352 -12.609 1.673 1.00 0.00 O ATOM 1574 CB LEU A 107 2.046 -13.616 4.269 1.00 0.00 C ATOM 1575 CG LEU A 107 1.850 -13.028 5.668 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.431 -14.110 6.664 1.00 0.00 C ATOM 1577 CD2 LEU A 107 3.103 -12.279 6.127 1.00 0.00 C ATOM 0 H LEU A 107 0.494 -12.635 2.531 1.00 0.00 H new ATOM 0 HA LEU A 107 3.060 -11.861 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.109 -14.078 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.788 -14.412 4.332 1.00 0.00 H new ATOM 0 HG LEU A 107 1.039 -12.302 5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.299 -13.665 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.492 -14.559 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.203 -14.878 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.938 -11.871 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.949 -12.966 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.316 -11.466 5.433 1.00 0.00 H new ATOM 1589 N ASP A 108 3.098 -14.488 1.773 1.00 0.00 N ATOM 1590 CA ASP A 108 3.885 -15.200 0.781 1.00 0.00 C ATOM 1591 C ASP A 108 3.650 -14.576 -0.595 1.00 0.00 C ATOM 1592 O ASP A 108 2.785 -15.024 -1.346 1.00 0.00 O ATOM 1593 CB ASP A 108 3.478 -16.673 0.707 1.00 0.00 C ATOM 1594 CG ASP A 108 4.158 -17.585 1.731 1.00 0.00 C ATOM 1595 OD1 ASP A 108 5.248 -17.194 2.202 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.572 -18.650 2.019 1.00 0.00 O ATOM 0 H ASP A 108 2.313 -15.017 2.154 1.00 0.00 H new ATOM 0 HA ASP A 108 4.934 -15.130 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.399 -16.743 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.700 -17.046 -0.293 1.00 0.00 H new ATOM 1601 N LEU A 109 4.436 -13.549 -0.886 1.00 0.00 N ATOM 1602 CA LEU A 109 4.325 -12.857 -2.159 1.00 0.00 C ATOM 1603 C LEU A 109 5.643 -12.143 -2.464 1.00 0.00 C ATOM 1604 O LEU A 109 6.257 -11.559 -1.573 1.00 0.00 O ATOM 1605 CB LEU A 109 3.108 -11.930 -2.160 1.00 0.00 C ATOM 1606 CG LEU A 109 2.385 -11.775 -3.500 1.00 0.00 C ATOM 1607 CD1 LEU A 109 3.274 -11.071 -4.525 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.881 -13.127 -4.010 1.00 0.00 C ATOM 0 H LEU A 109 5.153 -13.180 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 109 4.155 -13.569 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.393 -12.300 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.427 -10.943 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 109 1.511 -11.143 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.736 -10.974 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.541 -10.081 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.180 -11.656 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.371 -12.989 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.725 -13.803 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.187 -13.553 -3.286 1.00 0.00 H new ATOM 1620 N ASN A 110 6.038 -12.212 -3.727 1.00 0.00 N ATOM 1621 CA ASN A 110 7.272 -11.579 -4.160 1.00 0.00 C ATOM 1622 C ASN A 110 7.042 -10.890 -5.506 1.00 0.00 C ATOM 1623 O ASN A 110 6.433 -11.466 -6.406 1.00 0.00 O ATOM 1624 CB ASN A 110 8.387 -12.611 -4.343 1.00 0.00 C ATOM 1625 CG ASN A 110 9.696 -12.120 -3.722 1.00 0.00 C ATOM 1626 OD1 ASN A 110 9.983 -10.936 -3.671 1.00 0.00 O ATOM 1627 ND2 ASN A 110 10.472 -13.095 -3.254 1.00 0.00 N ATOM 0 H ASN A 110 5.525 -12.696 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 110 7.567 -10.860 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.093 -13.554 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.535 -12.807 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 110 11.368 -12.870 -2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 110 10.171 -14.067 -3.329 1.00 0.00 H new ATOM 1634 N MET A 111 7.539 -9.665 -5.601 1.00 0.00 N ATOM 1635 CA MET A 111 7.395 -8.891 -6.822 1.00 0.00 C ATOM 1636 C MET A 111 8.661 -8.084 -7.112 1.00 0.00 C ATOM 1637 O MET A 111 8.656 -6.857 -7.015 1.00 0.00 O ATOM 1638 CB MET A 111 6.203 -7.941 -6.686 1.00 0.00 C ATOM 1639 CG MET A 111 4.885 -8.675 -6.940 1.00 0.00 C ATOM 1640 SD MET A 111 4.097 -8.027 -8.405 1.00 0.00 S ATOM 1641 CE MET A 111 2.536 -7.508 -7.715 1.00 0.00 C ATOM 0 H MET A 111 8.042 -9.190 -4.852 1.00 0.00 H new ATOM 0 HA MET A 111 7.229 -9.580 -7.650 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.194 -7.504 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.307 -7.118 -7.393 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.071 -9.742 -7.059 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.224 -8.560 -6.081 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.045 -6.819 -8.403 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.900 -8.379 -7.558 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.708 -7.008 -6.762 1.00 0.00 H new