USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 10 CYS SG : rot 75:sc= 1.28 USER MOD Set 1.2: A 22 CYS SG : rot -6:sc= 2.34 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 2.31 (180deg=2.25) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.993! USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 0.0807 (180deg=-0.938!) USER MOD Single : A 42 THR OG1 : rot -132:sc= 0.853 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0433 (180deg=-0.209) USER MOD Single : A 50 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.4!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -64:sc= 0.844 USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.911) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 1.18 (180deg=1.06) USER MOD Single : A 64 GLN : amide:sc= 0.657 K(o=0.66,f=-0.76) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.936! (180deg=-1.99!) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= 1.13 (180deg=0.433) USER MOD Single : A 75 LYS NZ :NH3+ 141:sc= 2.17 (180deg=1.13) USER MOD Single : A 79 SER OG : rot 79:sc= 0.435 USER MOD Single : A 80 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00181 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 85 MET CE :methyl -137:sc= -0.429 (180deg=-2.55!) USER MOD Single : A 86 LYS NZ :NH3+ -130:sc= 0.73 (180deg=-0.0194) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 3.483 9.208 -8.168 1.00 0.00 N ATOM 45 CA ILE A 4 3.760 8.895 -6.769 1.00 0.00 C ATOM 46 C ILE A 4 3.241 10.006 -5.856 1.00 0.00 C ATOM 47 O ILE A 4 3.763 11.121 -5.846 1.00 0.00 O ATOM 48 CB ILE A 4 5.264 8.656 -6.527 1.00 0.00 C ATOM 49 CG1 ILE A 4 5.732 7.436 -7.327 1.00 0.00 C ATOM 50 CG2 ILE A 4 5.555 8.472 -5.042 1.00 0.00 C ATOM 51 CD1 ILE A 4 7.231 7.249 -7.339 1.00 0.00 C ATOM 0 HA ILE A 4 3.235 7.970 -6.529 1.00 0.00 H new ATOM 0 HB ILE A 4 5.815 9.533 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.268 6.542 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.379 7.530 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.623 8.305 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.251 9.366 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.000 7.613 -4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.483 6.365 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.703 8.125 -7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.590 7.121 -6.318 1.00 0.00 H new ATOM 63 N GLU A 5 2.203 9.685 -5.094 1.00 0.00 N ATOM 64 CA GLU A 5 1.514 10.671 -4.277 1.00 0.00 C ATOM 65 C GLU A 5 0.874 9.998 -3.067 1.00 0.00 C ATOM 66 O GLU A 5 0.796 8.769 -3.005 1.00 0.00 O ATOM 67 CB GLU A 5 0.449 11.370 -5.120 1.00 0.00 C ATOM 68 CG GLU A 5 -0.566 10.407 -5.711 1.00 0.00 C ATOM 69 CD GLU A 5 -1.453 11.049 -6.751 1.00 0.00 C ATOM 70 OE1 GLU A 5 -2.168 12.008 -6.413 1.00 0.00 O ATOM 71 OE2 GLU A 5 -1.450 10.583 -7.909 1.00 0.00 O ATOM 0 H GLU A 5 1.819 8.742 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 5 2.232 11.409 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.070 12.104 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.935 11.918 -5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.040 9.564 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.187 10.005 -4.910 1.00 0.00 H new ATOM 78 N VAL A 6 0.419 10.805 -2.113 1.00 0.00 N ATOM 79 CA VAL A 6 -0.198 10.281 -0.900 1.00 0.00 C ATOM 80 C VAL A 6 -1.547 9.641 -1.200 1.00 0.00 C ATOM 81 O VAL A 6 -2.334 10.159 -1.997 1.00 0.00 O ATOM 82 CB VAL A 6 -0.381 11.378 0.176 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.964 11.813 0.734 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.137 12.575 -0.387 1.00 0.00 C ATOM 0 H VAL A 6 0.466 11.823 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 6 0.481 9.523 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.972 10.955 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.812 12.585 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.465 10.957 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.581 12.210 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.252 13.331 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.580 12.996 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.121 12.255 -0.730 1.00 0.00 H new ATOM 94 N GLY A 7 -1.787 8.494 -0.584 1.00 0.00 N ATOM 95 CA GLY A 7 -3.053 7.812 -0.734 1.00 0.00 C ATOM 96 C GLY A 7 -3.089 6.900 -1.941 1.00 0.00 C ATOM 97 O GLY A 7 -3.986 6.069 -2.072 1.00 0.00 O ATOM 0 H GLY A 7 -1.119 8.020 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.254 7.227 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.850 8.550 -0.818 1.00 0.00 H new ATOM 101 N ARG A 8 -2.115 7.040 -2.822 1.00 0.00 N ATOM 102 CA ARG A 8 -2.094 6.251 -4.039 1.00 0.00 C ATOM 103 C ARG A 8 -1.414 4.914 -3.781 1.00 0.00 C ATOM 104 O ARG A 8 -0.385 4.847 -3.107 1.00 0.00 O ATOM 105 CB ARG A 8 -1.397 7.019 -5.160 1.00 0.00 C ATOM 106 CG ARG A 8 -1.633 6.442 -6.547 1.00 0.00 C ATOM 107 CD ARG A 8 -1.213 7.431 -7.621 1.00 0.00 C ATOM 108 NE ARG A 8 -1.393 6.908 -8.973 1.00 0.00 N ATOM 109 CZ ARG A 8 -1.110 7.601 -10.077 1.00 0.00 C ATOM 110 NH1 ARG A 8 -0.763 8.884 -9.994 1.00 0.00 N ATOM 111 NH2 ARG A 8 -1.221 7.023 -11.268 1.00 0.00 N ATOM 0 H ARG A 8 -1.334 7.688 -2.719 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.119 6.057 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.740 8.053 -5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.325 7.036 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.071 5.515 -6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.687 6.193 -6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.792 8.348 -7.511 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.166 7.696 -7.475 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.755 5.960 -9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.713 9.341 -9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.547 9.410 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.522 6.051 -11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.005 7.551 -12.113 1.00 0.00 H new ATOM 125 N ILE A 9 -2.009 3.852 -4.300 1.00 0.00 N ATOM 126 CA ILE A 9 -1.510 2.510 -4.072 1.00 0.00 C ATOM 127 C ILE A 9 -0.333 2.204 -4.987 1.00 0.00 C ATOM 128 O ILE A 9 -0.410 2.413 -6.198 1.00 0.00 O ATOM 129 CB ILE A 9 -2.618 1.461 -4.304 1.00 0.00 C ATOM 130 CG1 ILE A 9 -3.811 1.742 -3.389 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.084 0.052 -4.077 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.962 0.779 -3.579 1.00 0.00 C ATOM 0 H ILE A 9 -2.843 3.897 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.180 2.459 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.951 1.532 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.480 1.699 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.165 2.757 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.882 -0.671 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.265 -0.143 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.722 -0.039 -3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.771 1.040 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.320 0.838 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.625 -0.236 -3.370 1.00 0.00 H new ATOM 144 N CYS A 10 0.749 1.723 -4.406 1.00 0.00 N ATOM 145 CA CYS A 10 1.906 1.308 -5.172 1.00 0.00 C ATOM 146 C CYS A 10 2.086 -0.197 -5.072 1.00 0.00 C ATOM 147 O CYS A 10 2.002 -0.778 -3.987 1.00 0.00 O ATOM 148 CB CYS A 10 3.161 2.032 -4.687 1.00 0.00 C ATOM 149 SG CYS A 10 3.301 2.149 -2.889 1.00 0.00 S ATOM 0 H CYS A 10 0.850 1.610 -3.397 1.00 0.00 H new ATOM 0 HA CYS A 10 1.744 1.572 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.038 1.515 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.172 3.038 -5.107 1.00 0.00 H new ATOM 0 HG CYS A 10 3.649 0.994 -2.405 1.00 0.00 H new ATOM 155 N VAL A 11 2.309 -0.825 -6.208 1.00 0.00 N ATOM 156 CA VAL A 11 2.472 -2.265 -6.250 1.00 0.00 C ATOM 157 C VAL A 11 3.949 -2.629 -6.359 1.00 0.00 C ATOM 158 O VAL A 11 4.732 -1.922 -7.003 1.00 0.00 O ATOM 159 CB VAL A 11 1.663 -2.898 -7.411 1.00 0.00 C ATOM 160 CG1 VAL A 11 2.102 -2.352 -8.759 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.762 -4.418 -7.396 1.00 0.00 C ATOM 0 H VAL A 11 2.382 -0.362 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 11 2.079 -2.672 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 11 0.619 -2.624 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.514 -2.818 -9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.950 -1.273 -8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.158 -2.573 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.183 -4.829 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.805 -4.716 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.368 -4.799 -6.454 1.00 0.00 H new ATOM 171 N LYS A 12 4.319 -3.713 -5.698 1.00 0.00 N ATOM 172 CA LYS A 12 5.689 -4.189 -5.695 1.00 0.00 C ATOM 173 C LYS A 12 6.005 -4.859 -7.027 1.00 0.00 C ATOM 174 O LYS A 12 5.579 -5.982 -7.277 1.00 0.00 O ATOM 175 CB LYS A 12 5.892 -5.177 -4.541 1.00 0.00 C ATOM 176 CG LYS A 12 7.348 -5.510 -4.263 1.00 0.00 C ATOM 177 CD LYS A 12 7.485 -6.604 -3.214 1.00 0.00 C ATOM 178 CE LYS A 12 6.835 -6.217 -1.892 1.00 0.00 C ATOM 179 NZ LYS A 12 6.992 -7.285 -0.866 1.00 0.00 N ATOM 0 H LYS A 12 3.678 -4.286 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 12 6.364 -3.345 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.446 -4.761 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.356 -6.099 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.831 -5.829 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.868 -4.614 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.029 -7.521 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.541 -6.817 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.280 -5.292 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.775 -6.019 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.537 -6.985 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.546 -8.161 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.003 -7.456 -0.695 1.00 0.00 H new ATOM 193 N VAL A 13 6.734 -4.159 -7.887 1.00 0.00 N ATOM 194 CA VAL A 13 7.073 -4.688 -9.203 1.00 0.00 C ATOM 195 C VAL A 13 8.361 -5.503 -9.150 1.00 0.00 C ATOM 196 O VAL A 13 8.892 -5.919 -10.181 1.00 0.00 O ATOM 197 CB VAL A 13 7.216 -3.562 -10.253 1.00 0.00 C ATOM 198 CG1 VAL A 13 5.907 -2.797 -10.387 1.00 0.00 C ATOM 199 CG2 VAL A 13 8.351 -2.616 -9.890 1.00 0.00 C ATOM 0 H VAL A 13 7.101 -3.226 -7.698 1.00 0.00 H new ATOM 0 HA VAL A 13 6.251 -5.337 -9.504 1.00 0.00 H new ATOM 0 HB VAL A 13 7.455 -4.020 -11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.022 -2.007 -11.129 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.117 -3.479 -10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.643 -2.356 -9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.429 -1.834 -10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.151 -2.163 -8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.288 -3.172 -9.845 1.00 0.00 H new ATOM 287 N GLY A 19 2.921 -9.030 -7.082 1.00 0.00 N ATOM 288 CA GLY A 19 1.511 -9.042 -6.759 1.00 0.00 C ATOM 289 C GLY A 19 1.246 -8.469 -5.383 1.00 0.00 C ATOM 290 O GLY A 19 0.136 -8.571 -4.858 1.00 0.00 O ATOM 0 HA2 GLY A 19 0.962 -8.467 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.136 -10.064 -6.806 1.00 0.00 H new ATOM 294 N SER A 20 2.269 -7.853 -4.807 1.00 0.00 N ATOM 295 CA SER A 20 2.185 -7.304 -3.461 1.00 0.00 C ATOM 296 C SER A 20 1.810 -5.822 -3.526 1.00 0.00 C ATOM 297 O SER A 20 2.348 -5.074 -4.340 1.00 0.00 O ATOM 298 CB SER A 20 3.528 -7.499 -2.753 1.00 0.00 C ATOM 299 OG SER A 20 3.404 -7.387 -1.345 1.00 0.00 O ATOM 0 H SER A 20 3.175 -7.720 -5.256 1.00 0.00 H new ATOM 0 HA SER A 20 1.412 -7.824 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.932 -8.479 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.240 -6.758 -3.115 1.00 0.00 H new ATOM 0 HG SER A 20 4.281 -7.519 -0.928 1.00 0.00 H new ATOM 305 N LYS A 21 0.889 -5.401 -2.668 1.00 0.00 N ATOM 306 CA LYS A 21 0.362 -4.040 -2.714 1.00 0.00 C ATOM 307 C LYS A 21 0.638 -3.290 -1.419 1.00 0.00 C ATOM 308 O LYS A 21 0.696 -3.884 -0.342 1.00 0.00 O ATOM 309 CB LYS A 21 -1.145 -4.072 -2.974 1.00 0.00 C ATOM 310 CG LYS A 21 -1.518 -4.471 -4.390 1.00 0.00 C ATOM 311 CD LYS A 21 -2.972 -4.899 -4.472 1.00 0.00 C ATOM 312 CE LYS A 21 -3.178 -6.248 -3.805 1.00 0.00 C ATOM 313 NZ LYS A 21 -4.585 -6.716 -3.909 1.00 0.00 N ATOM 0 H LYS A 21 0.490 -5.982 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 21 0.867 -3.516 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.609 -4.769 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.561 -3.087 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.344 -3.633 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.876 -5.287 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.603 -4.151 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.281 -4.954 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.517 -6.983 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.896 -6.179 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.675 -7.647 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.213 -6.037 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.853 -6.792 -4.911 1.00 0.00 H new ATOM 327 N CYS A 22 0.807 -1.981 -1.542 1.00 0.00 N ATOM 328 CA CYS A 22 0.996 -1.106 -0.396 1.00 0.00 C ATOM 329 C CYS A 22 0.522 0.302 -0.731 1.00 0.00 C ATOM 330 O CYS A 22 0.463 0.680 -1.900 1.00 0.00 O ATOM 331 CB CYS A 22 2.469 -1.088 0.023 1.00 0.00 C ATOM 332 SG CYS A 22 3.623 -0.855 -1.350 1.00 0.00 S ATOM 0 H CYS A 22 0.817 -1.497 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 22 0.405 -1.486 0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.619 -0.290 0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.704 -2.026 0.526 1.00 0.00 H new ATOM 0 HG CYS A 22 2.969 -0.864 -2.473 1.00 0.00 H new ATOM 338 N VAL A 23 0.161 1.069 0.284 1.00 0.00 N ATOM 339 CA VAL A 23 -0.320 2.431 0.079 1.00 0.00 C ATOM 340 C VAL A 23 0.684 3.442 0.618 1.00 0.00 C ATOM 341 O VAL A 23 1.210 3.272 1.720 1.00 0.00 O ATOM 342 CB VAL A 23 -1.684 2.659 0.771 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.217 4.056 0.478 1.00 0.00 C ATOM 344 CG2 VAL A 23 -2.691 1.603 0.340 1.00 0.00 C ATOM 0 H VAL A 23 0.191 0.774 1.260 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.442 2.571 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.533 2.571 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.177 4.191 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.510 4.800 0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.346 4.178 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.643 1.783 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.832 1.654 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.320 0.615 0.611 1.00 0.00 H new ATOM 354 N ILE A 24 0.958 4.482 -0.165 1.00 0.00 N ATOM 355 CA ILE A 24 1.816 5.568 0.283 1.00 0.00 C ATOM 356 C ILE A 24 1.033 6.473 1.225 1.00 0.00 C ATOM 357 O ILE A 24 0.274 7.337 0.783 1.00 0.00 O ATOM 358 CB ILE A 24 2.348 6.403 -0.902 1.00 0.00 C ATOM 359 CG1 ILE A 24 2.978 5.488 -1.956 1.00 0.00 C ATOM 360 CG2 ILE A 24 3.364 7.429 -0.408 1.00 0.00 C ATOM 361 CD1 ILE A 24 3.401 6.212 -3.213 1.00 0.00 C ATOM 0 H ILE A 24 0.597 4.593 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 24 2.671 5.130 0.798 1.00 0.00 H new ATOM 0 HB ILE A 24 1.514 6.934 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.847 4.993 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.265 4.707 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.732 8.012 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.888 8.094 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.198 6.914 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.838 5.500 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.532 6.684 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.138 6.975 -2.963 1.00 0.00 H new ATOM 373 N VAL A 25 1.193 6.254 2.520 1.00 0.00 N ATOM 374 CA VAL A 25 0.385 6.955 3.508 1.00 0.00 C ATOM 375 C VAL A 25 1.103 8.175 4.066 1.00 0.00 C ATOM 376 O VAL A 25 0.470 9.166 4.435 1.00 0.00 O ATOM 377 CB VAL A 25 -0.025 6.022 4.669 1.00 0.00 C ATOM 378 CG1 VAL A 25 -0.941 4.920 4.163 1.00 0.00 C ATOM 379 CG2 VAL A 25 1.197 5.425 5.351 1.00 0.00 C ATOM 0 H VAL A 25 1.871 5.600 2.911 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.513 7.290 2.989 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.565 6.617 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.221 4.271 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.838 5.363 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.422 4.335 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.878 4.773 6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.772 4.848 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.818 6.226 5.751 1.00 0.00 H new ATOM 389 N ASP A 26 2.423 8.116 4.111 1.00 0.00 N ATOM 390 CA ASP A 26 3.200 9.185 4.717 1.00 0.00 C ATOM 391 C ASP A 26 4.464 9.453 3.917 1.00 0.00 C ATOM 392 O ASP A 26 5.221 8.539 3.601 1.00 0.00 O ATOM 393 CB ASP A 26 3.537 8.829 6.169 1.00 0.00 C ATOM 394 CG ASP A 26 4.419 9.856 6.846 1.00 0.00 C ATOM 395 OD1 ASP A 26 4.265 11.059 6.564 1.00 0.00 O ATOM 396 OD2 ASP A 26 5.267 9.456 7.679 1.00 0.00 O ATOM 0 H ASP A 26 2.977 7.345 3.738 1.00 0.00 H new ATOM 0 HA ASP A 26 2.604 10.097 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.611 8.725 6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.035 7.860 6.192 1.00 0.00 H new ATOM 401 N ILE A 27 4.672 10.712 3.578 1.00 0.00 N ATOM 402 CA ILE A 27 5.838 11.118 2.814 1.00 0.00 C ATOM 403 C ILE A 27 6.736 11.991 3.679 1.00 0.00 C ATOM 404 O ILE A 27 6.393 13.133 3.991 1.00 0.00 O ATOM 405 CB ILE A 27 5.439 11.881 1.527 1.00 0.00 C ATOM 406 CG1 ILE A 27 4.640 10.963 0.597 1.00 0.00 C ATOM 407 CG2 ILE A 27 6.673 12.415 0.812 1.00 0.00 C ATOM 408 CD1 ILE A 27 4.231 11.613 -0.710 1.00 0.00 C ATOM 0 H ILE A 27 4.043 11.477 3.822 1.00 0.00 H new ATOM 0 HA ILE A 27 6.376 10.219 2.513 1.00 0.00 H new ATOM 0 HB ILE A 27 4.814 12.729 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.236 10.076 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.745 10.625 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.369 12.947 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.210 13.096 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.324 11.584 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.670 10.898 -1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.607 12.483 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.122 11.926 -1.255 1.00 0.00 H new ATOM 420 N ILE A 28 7.873 11.442 4.078 1.00 0.00 N ATOM 421 CA ILE A 28 8.788 12.149 4.958 1.00 0.00 C ATOM 422 C ILE A 28 9.772 12.953 4.122 1.00 0.00 C ATOM 423 O ILE A 28 9.836 14.182 4.216 1.00 0.00 O ATOM 424 CB ILE A 28 9.575 11.190 5.888 1.00 0.00 C ATOM 425 CG1 ILE A 28 8.640 10.214 6.622 1.00 0.00 C ATOM 426 CG2 ILE A 28 10.387 11.989 6.897 1.00 0.00 C ATOM 427 CD1 ILE A 28 8.272 8.980 5.818 1.00 0.00 C ATOM 0 H ILE A 28 8.183 10.509 3.806 1.00 0.00 H new ATOM 0 HA ILE A 28 8.190 12.805 5.590 1.00 0.00 H new ATOM 0 HB ILE A 28 10.247 10.602 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.117 9.900 7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.726 10.741 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.936 11.306 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.091 12.633 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.717 12.602 7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.611 8.345 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.764 9.281 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.177 8.427 5.566 1.00 0.00 H new ATOM 439 N ASP A 29 10.519 12.251 3.288 1.00 0.00 N ATOM 440 CA ASP A 29 11.466 12.885 2.388 1.00 0.00 C ATOM 441 C ASP A 29 10.940 12.812 0.964 1.00 0.00 C ATOM 442 O ASP A 29 9.810 12.387 0.744 1.00 0.00 O ATOM 443 CB ASP A 29 12.840 12.215 2.484 1.00 0.00 C ATOM 444 CG ASP A 29 13.553 12.524 3.787 1.00 0.00 C ATOM 445 OD1 ASP A 29 13.197 11.927 4.825 1.00 0.00 O ATOM 446 OD2 ASP A 29 14.475 13.368 3.778 1.00 0.00 O ATOM 0 H ASP A 29 10.487 11.234 3.216 1.00 0.00 H new ATOM 0 HA ASP A 29 11.581 13.930 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.721 11.136 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.459 12.544 1.649 1.00 0.00 H new ATOM 451 N ASP A 30 11.754 13.214 -0.001 1.00 0.00 N ATOM 452 CA ASP A 30 11.316 13.243 -1.393 1.00 0.00 C ATOM 453 C ASP A 30 11.316 11.838 -1.987 1.00 0.00 C ATOM 454 O ASP A 30 10.493 11.513 -2.842 1.00 0.00 O ATOM 455 CB ASP A 30 12.207 14.170 -2.222 1.00 0.00 C ATOM 456 CG ASP A 30 11.719 14.320 -3.652 1.00 0.00 C ATOM 457 OD1 ASP A 30 10.702 15.015 -3.875 1.00 0.00 O ATOM 458 OD2 ASP A 30 12.350 13.751 -4.567 1.00 0.00 O ATOM 0 H ASP A 30 12.714 13.523 0.150 1.00 0.00 H new ATOM 0 HA ASP A 30 10.297 13.630 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.244 15.151 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.225 13.781 -2.228 1.00 0.00 H new ATOM 463 N ASN A 31 12.244 11.008 -1.532 1.00 0.00 N ATOM 464 CA ASN A 31 12.308 9.625 -1.988 1.00 0.00 C ATOM 465 C ASN A 31 11.959 8.660 -0.861 1.00 0.00 C ATOM 466 O ASN A 31 11.402 7.585 -1.096 1.00 0.00 O ATOM 467 CB ASN A 31 13.696 9.298 -2.549 1.00 0.00 C ATOM 468 CG ASN A 31 13.978 10.007 -3.858 1.00 0.00 C ATOM 469 OD1 ASN A 31 14.517 11.111 -3.877 1.00 0.00 O ATOM 470 ND2 ASN A 31 13.624 9.369 -4.963 1.00 0.00 N ATOM 0 H ASN A 31 12.959 11.265 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 31 11.573 9.506 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 31 14.454 9.578 -1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.779 8.221 -2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.797 9.793 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.179 8.453 -4.903 1.00 0.00 H new ATOM 477 N PHE A 32 12.278 9.047 0.364 1.00 0.00 N ATOM 478 CA PHE A 32 11.995 8.210 1.520 1.00 0.00 C ATOM 479 C PHE A 32 10.537 8.357 1.934 1.00 0.00 C ATOM 480 O PHE A 32 10.145 9.362 2.536 1.00 0.00 O ATOM 481 CB PHE A 32 12.918 8.573 2.686 1.00 0.00 C ATOM 482 CG PHE A 32 14.380 8.375 2.390 1.00 0.00 C ATOM 483 CD1 PHE A 32 14.976 7.137 2.568 1.00 0.00 C ATOM 484 CD2 PHE A 32 15.158 9.425 1.925 1.00 0.00 C ATOM 485 CE1 PHE A 32 16.319 6.951 2.295 1.00 0.00 C ATOM 486 CE2 PHE A 32 16.502 9.245 1.652 1.00 0.00 C ATOM 487 CZ PHE A 32 17.081 8.006 1.834 1.00 0.00 C ATOM 0 H PHE A 32 12.732 9.934 0.584 1.00 0.00 H new ATOM 0 HA PHE A 32 12.178 7.171 1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 32 12.750 9.615 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.648 7.969 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 32 14.384 6.307 2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.709 10.395 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 32 16.771 5.981 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 32 17.097 10.073 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 32 18.129 7.862 1.616 1.00 0.00 H new ATOM 497 N VAL A 33 9.734 7.359 1.603 1.00 0.00 N ATOM 498 CA VAL A 33 8.309 7.411 1.875 1.00 0.00 C ATOM 499 C VAL A 33 7.864 6.198 2.678 1.00 0.00 C ATOM 500 O VAL A 33 8.495 5.137 2.623 1.00 0.00 O ATOM 501 CB VAL A 33 7.476 7.495 0.573 1.00 0.00 C ATOM 502 CG1 VAL A 33 7.766 8.790 -0.174 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.744 6.293 -0.323 1.00 0.00 C ATOM 0 H VAL A 33 10.046 6.503 1.145 1.00 0.00 H new ATOM 0 HA VAL A 33 8.134 8.316 2.457 1.00 0.00 H new ATOM 0 HB VAL A 33 6.422 7.487 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.169 8.826 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.513 9.640 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.824 8.832 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.147 6.376 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.801 6.263 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.476 5.378 0.206 1.00 0.00 H new ATOM 513 N LEU A 34 6.790 6.372 3.431 1.00 0.00 N ATOM 514 CA LEU A 34 6.230 5.298 4.235 1.00 0.00 C ATOM 515 C LEU A 34 5.064 4.652 3.508 1.00 0.00 C ATOM 516 O LEU A 34 4.040 5.294 3.243 1.00 0.00 O ATOM 517 CB LEU A 34 5.759 5.834 5.593 1.00 0.00 C ATOM 518 CG LEU A 34 5.007 4.829 6.476 1.00 0.00 C ATOM 519 CD1 LEU A 34 5.930 3.712 6.927 1.00 0.00 C ATOM 520 CD2 LEU A 34 4.391 5.524 7.682 1.00 0.00 C ATOM 0 H LEU A 34 6.285 7.255 3.502 1.00 0.00 H new ATOM 0 HA LEU A 34 7.007 4.552 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.628 6.195 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.112 6.694 5.420 1.00 0.00 H new ATOM 0 HG LEU A 34 4.204 4.394 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.375 3.012 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.321 3.189 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.757 4.132 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.863 4.792 8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.178 5.991 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.690 6.287 7.343 1.00 0.00 H new ATOM 532 N VAL A 35 5.229 3.384 3.177 1.00 0.00 N ATOM 533 CA VAL A 35 4.175 2.618 2.541 1.00 0.00 C ATOM 534 C VAL A 35 3.767 1.477 3.454 1.00 0.00 C ATOM 535 O VAL A 35 4.588 0.964 4.206 1.00 0.00 O ATOM 536 CB VAL A 35 4.610 2.057 1.167 1.00 0.00 C ATOM 537 CG1 VAL A 35 4.934 3.192 0.210 1.00 0.00 C ATOM 538 CG2 VAL A 35 5.803 1.125 1.308 1.00 0.00 C ATOM 0 H VAL A 35 6.089 2.861 3.340 1.00 0.00 H new ATOM 0 HA VAL A 35 3.332 3.287 2.368 1.00 0.00 H new ATOM 0 HB VAL A 35 3.779 1.481 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.238 2.781 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.051 3.817 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.745 3.794 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.087 0.746 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.641 1.670 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.538 0.290 1.957 1.00 0.00 H new ATOM 548 N THR A 36 2.502 1.103 3.412 1.00 0.00 N ATOM 549 CA THR A 36 1.998 0.031 4.255 1.00 0.00 C ATOM 550 C THR A 36 0.620 -0.408 3.767 1.00 0.00 C ATOM 551 O THR A 36 0.017 0.254 2.919 1.00 0.00 O ATOM 552 CB THR A 36 1.914 0.482 5.735 1.00 0.00 C ATOM 553 OG1 THR A 36 1.535 -0.620 6.575 1.00 0.00 O ATOM 554 CG2 THR A 36 0.917 1.619 5.911 1.00 0.00 C ATOM 0 H THR A 36 1.802 1.526 2.802 1.00 0.00 H new ATOM 0 HA THR A 36 2.690 -0.809 4.192 1.00 0.00 H new ATOM 0 HB THR A 36 2.902 0.838 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.487 -0.320 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.881 1.912 6.960 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.227 2.471 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.072 1.288 5.593 1.00 0.00 H new ATOM 562 N GLY A 37 0.138 -1.528 4.286 1.00 0.00 N ATOM 563 CA GLY A 37 -1.207 -1.971 3.990 1.00 0.00 C ATOM 564 C GLY A 37 -2.111 -1.793 5.190 1.00 0.00 C ATOM 565 O GLY A 37 -1.746 -1.090 6.135 1.00 0.00 O ATOM 0 H GLY A 37 0.660 -2.141 4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.602 -1.407 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.192 -3.020 3.694 1.00 0.00 H new ATOM 569 N PRO A 38 -3.296 -2.414 5.190 1.00 0.00 N ATOM 570 CA PRO A 38 -4.244 -2.309 6.297 1.00 0.00 C ATOM 571 C PRO A 38 -3.811 -3.131 7.509 1.00 0.00 C ATOM 572 O PRO A 38 -3.098 -4.133 7.379 1.00 0.00 O ATOM 573 CB PRO A 38 -5.558 -2.859 5.713 1.00 0.00 C ATOM 574 CG PRO A 38 -5.301 -3.083 4.256 1.00 0.00 C ATOM 575 CD PRO A 38 -3.819 -3.262 4.115 1.00 0.00 C ATOM 0 HA PRO A 38 -4.327 -1.285 6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.845 -3.788 6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.376 -2.154 5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.835 -3.963 3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.649 -2.236 3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.522 -4.304 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.463 -2.943 3.136 1.00 0.00 H new ATOM 583 N LYS A 39 -4.245 -2.701 8.686 1.00 0.00 N ATOM 584 CA LYS A 39 -3.944 -3.397 9.914 1.00 0.00 C ATOM 585 C LYS A 39 -5.043 -4.402 10.192 1.00 0.00 C ATOM 586 O LYS A 39 -6.233 -4.076 10.121 1.00 0.00 O ATOM 587 CB LYS A 39 -3.793 -2.411 11.081 1.00 0.00 C ATOM 588 CG LYS A 39 -3.230 -3.046 12.349 1.00 0.00 C ATOM 589 CD LYS A 39 -2.821 -2.004 13.387 1.00 0.00 C ATOM 590 CE LYS A 39 -3.981 -1.562 14.272 1.00 0.00 C ATOM 591 NZ LYS A 39 -5.056 -0.864 13.517 1.00 0.00 N ATOM 0 H LYS A 39 -4.813 -1.863 8.809 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.994 -3.921 9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.140 -1.594 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.766 -1.974 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.977 -3.712 12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.366 -3.659 12.093 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.028 -2.414 14.013 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.407 -1.134 12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.403 -2.434 14.771 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.604 -0.900 15.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.612 -0.274 14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.630 -0.262 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.679 -1.567 13.070 1.00 0.00 H new ATOM 605 N ASP A 40 -4.616 -5.622 10.454 1.00 0.00 N ATOM 606 CA ASP A 40 -5.502 -6.769 10.702 1.00 0.00 C ATOM 607 C ASP A 40 -6.102 -7.277 9.398 1.00 0.00 C ATOM 608 O ASP A 40 -5.993 -8.460 9.073 1.00 0.00 O ATOM 609 CB ASP A 40 -6.610 -6.437 11.705 1.00 0.00 C ATOM 610 CG ASP A 40 -7.597 -7.574 11.855 1.00 0.00 C ATOM 611 OD1 ASP A 40 -7.245 -8.591 12.489 1.00 0.00 O ATOM 612 OD2 ASP A 40 -8.730 -7.459 11.342 1.00 0.00 O ATOM 0 H ASP A 40 -3.625 -5.860 10.504 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.890 -7.557 11.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.166 -6.212 12.675 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.137 -5.540 11.380 1.00 0.00 H new ATOM 617 N ILE A 41 -6.734 -6.377 8.658 1.00 0.00 N ATOM 618 CA ILE A 41 -7.220 -6.693 7.326 1.00 0.00 C ATOM 619 C ILE A 41 -6.022 -6.881 6.410 1.00 0.00 C ATOM 620 O ILE A 41 -5.236 -5.951 6.223 1.00 0.00 O ATOM 621 CB ILE A 41 -8.124 -5.574 6.766 1.00 0.00 C ATOM 622 CG1 ILE A 41 -9.277 -5.283 7.737 1.00 0.00 C ATOM 623 CG2 ILE A 41 -8.659 -5.958 5.390 1.00 0.00 C ATOM 624 CD1 ILE A 41 -10.153 -4.119 7.319 1.00 0.00 C ATOM 0 H ILE A 41 -6.922 -5.421 8.960 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.817 -7.603 7.380 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.529 -4.667 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.896 -6.176 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.864 -5.078 8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.294 -5.158 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.825 -6.115 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.241 -6.876 5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.944 -3.976 8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.549 -3.214 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.597 -4.329 6.346 1.00 0.00 H new ATOM 636 N THR A 42 -5.875 -8.089 5.878 1.00 0.00 N ATOM 637 CA THR A 42 -4.699 -8.470 5.097 1.00 0.00 C ATOM 638 C THR A 42 -3.485 -8.651 6.020 1.00 0.00 C ATOM 639 O THR A 42 -2.818 -9.684 5.986 1.00 0.00 O ATOM 640 CB THR A 42 -4.387 -7.438 3.987 1.00 0.00 C ATOM 641 OG1 THR A 42 -5.569 -7.193 3.212 1.00 0.00 O ATOM 642 CG2 THR A 42 -3.272 -7.934 3.077 1.00 0.00 C ATOM 0 H THR A 42 -6.566 -8.833 5.975 1.00 0.00 H new ATOM 0 HA THR A 42 -4.919 -9.419 4.607 1.00 0.00 H new ATOM 0 HB THR A 42 -4.057 -6.513 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.351 -7.242 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.073 -7.189 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.369 -8.098 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.575 -8.870 2.608 1.00 0.00 H new ATOM 650 N GLY A 43 -3.224 -7.648 6.858 1.00 0.00 N ATOM 651 CA GLY A 43 -2.192 -7.763 7.872 1.00 0.00 C ATOM 652 C GLY A 43 -0.805 -7.491 7.335 1.00 0.00 C ATOM 653 O GLY A 43 0.089 -8.328 7.461 1.00 0.00 O ATOM 0 H GLY A 43 -3.714 -6.753 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.406 -7.065 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.220 -8.765 8.300 1.00 0.00 H new ATOM 657 N VAL A 44 -0.614 -6.324 6.737 1.00 0.00 N ATOM 658 CA VAL A 44 0.687 -5.961 6.193 1.00 0.00 C ATOM 659 C VAL A 44 1.092 -4.559 6.638 1.00 0.00 C ATOM 660 O VAL A 44 0.730 -3.571 6.006 1.00 0.00 O ATOM 661 CB VAL A 44 0.708 -6.019 4.645 1.00 0.00 C ATOM 662 CG1 VAL A 44 2.098 -5.693 4.110 1.00 0.00 C ATOM 663 CG2 VAL A 44 0.253 -7.384 4.145 1.00 0.00 C ATOM 0 H VAL A 44 -1.338 -5.616 6.616 1.00 0.00 H new ATOM 0 HA VAL A 44 1.397 -6.692 6.579 1.00 0.00 H new ATOM 0 HB VAL A 44 0.011 -5.269 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.089 -5.740 3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.384 -4.690 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.816 -6.415 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.277 -7.399 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.920 -8.154 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.763 -7.577 4.488 1.00 0.00 H new ATOM 673 N LYS A 45 1.814 -4.471 7.747 1.00 0.00 N ATOM 674 CA LYS A 45 2.351 -3.195 8.194 1.00 0.00 C ATOM 675 C LYS A 45 3.776 -3.037 7.688 1.00 0.00 C ATOM 676 O LYS A 45 4.697 -3.700 8.169 1.00 0.00 O ATOM 677 CB LYS A 45 2.301 -3.080 9.721 1.00 0.00 C ATOM 678 CG LYS A 45 2.861 -1.767 10.251 1.00 0.00 C ATOM 679 CD LYS A 45 2.669 -1.632 11.754 1.00 0.00 C ATOM 680 CE LYS A 45 3.296 -0.351 12.287 1.00 0.00 C ATOM 681 NZ LYS A 45 2.784 0.857 11.585 1.00 0.00 N ATOM 0 H LYS A 45 2.040 -5.263 8.349 1.00 0.00 H new ATOM 0 HA LYS A 45 1.736 -2.393 7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.268 -3.185 10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.861 -3.907 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.923 -1.704 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.371 -0.934 9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.604 -1.641 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.113 -2.491 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.091 -0.264 13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.379 -0.404 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.103 1.711 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.146 0.871 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.744 0.834 11.568 1.00 0.00 H new ATOM 695 N ARG A 46 3.946 -2.174 6.703 1.00 0.00 N ATOM 696 CA ARG A 46 5.234 -1.998 6.060 1.00 0.00 C ATOM 697 C ARG A 46 5.909 -0.719 6.554 1.00 0.00 C ATOM 698 O ARG A 46 5.240 0.242 6.932 1.00 0.00 O ATOM 699 CB ARG A 46 5.069 -1.970 4.536 1.00 0.00 C ATOM 700 CG ARG A 46 6.383 -2.010 3.762 1.00 0.00 C ATOM 701 CD ARG A 46 7.142 -3.307 4.009 1.00 0.00 C ATOM 702 NE ARG A 46 8.323 -3.437 3.147 1.00 0.00 N ATOM 703 CZ ARG A 46 8.891 -4.608 2.844 1.00 0.00 C ATOM 704 NH1 ARG A 46 8.424 -5.728 3.380 1.00 0.00 N ATOM 705 NH2 ARG A 46 9.940 -4.662 2.024 1.00 0.00 N ATOM 0 H ARG A 46 3.204 -1.582 6.330 1.00 0.00 H new ATOM 0 HA ARG A 46 5.872 -2.842 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.456 -2.819 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.524 -1.068 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.181 -1.904 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.004 -1.163 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.451 -3.351 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.476 -4.153 3.838 1.00 0.00 H new ATOM 0 HE ARG A 46 8.732 -2.587 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.632 -5.695 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.856 -6.623 3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.317 -3.804 1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.366 -5.561 1.799 1.00 0.00 H new ATOM 719 N ARG A 47 7.231 -0.738 6.582 1.00 0.00 N ATOM 720 CA ARG A 47 8.016 0.419 6.990 1.00 0.00 C ATOM 721 C ARG A 47 8.291 1.332 5.796 1.00 0.00 C ATOM 722 O ARG A 47 7.922 1.020 4.662 1.00 0.00 O ATOM 723 CB ARG A 47 9.349 -0.043 7.577 1.00 0.00 C ATOM 724 CG ARG A 47 10.216 -0.775 6.567 1.00 0.00 C ATOM 725 CD ARG A 47 11.586 -1.103 7.124 1.00 0.00 C ATOM 726 NE ARG A 47 11.539 -2.121 8.170 1.00 0.00 N ATOM 727 CZ ARG A 47 12.330 -2.110 9.242 1.00 0.00 C ATOM 728 NH1 ARG A 47 13.132 -1.076 9.462 1.00 0.00 N ATOM 729 NH2 ARG A 47 12.298 -3.123 10.100 1.00 0.00 N ATOM 0 H ARG A 47 7.790 -1.551 6.324 1.00 0.00 H new ATOM 0 HA ARG A 47 7.448 0.971 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.893 0.822 7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.159 -0.698 8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.719 -1.696 6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.326 -0.162 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.230 -1.448 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.037 -0.196 7.525 1.00 0.00 H new ATOM 0 HE ARG A 47 10.865 -2.881 8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.142 -0.291 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.738 -1.066 10.282 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.668 -3.909 9.938 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.903 -3.115 10.921 1.00 0.00 H new ATOM 743 N ARG A 48 8.947 2.459 6.057 1.00 0.00 N ATOM 744 CA ARG A 48 9.441 3.314 4.985 1.00 0.00 C ATOM 745 C ARG A 48 10.574 2.595 4.257 1.00 0.00 C ATOM 746 O ARG A 48 11.530 2.134 4.883 1.00 0.00 O ATOM 747 CB ARG A 48 9.913 4.664 5.542 1.00 0.00 C ATOM 748 CG ARG A 48 11.020 4.557 6.579 1.00 0.00 C ATOM 749 CD ARG A 48 11.398 5.921 7.134 1.00 0.00 C ATOM 750 NE ARG A 48 10.302 6.538 7.885 1.00 0.00 N ATOM 751 CZ ARG A 48 10.469 7.202 9.029 1.00 0.00 C ATOM 752 NH1 ARG A 48 11.678 7.304 9.566 1.00 0.00 N ATOM 753 NH2 ARG A 48 9.428 7.756 9.638 1.00 0.00 N ATOM 0 H ARG A 48 9.148 2.799 6.997 1.00 0.00 H new ATOM 0 HA ARG A 48 8.635 3.516 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.263 5.283 4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.062 5.178 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.696 3.909 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.897 4.090 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.268 5.819 7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.688 6.577 6.313 1.00 0.00 H new ATOM 0 HE ARG A 48 9.357 6.455 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.479 6.875 9.104 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.806 7.812 10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.496 7.675 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.560 8.263 10.513 1.00 0.00 H new ATOM 767 N VAL A 49 10.469 2.477 2.940 1.00 0.00 N ATOM 768 CA VAL A 49 11.382 1.612 2.195 1.00 0.00 C ATOM 769 C VAL A 49 12.033 2.317 1.020 1.00 0.00 C ATOM 770 O VAL A 49 12.792 1.699 0.267 1.00 0.00 O ATOM 771 CB VAL A 49 10.666 0.349 1.675 1.00 0.00 C ATOM 772 CG1 VAL A 49 10.274 -0.566 2.824 1.00 0.00 C ATOM 773 CG2 VAL A 49 9.444 0.721 0.840 1.00 0.00 C ATOM 0 H VAL A 49 9.774 2.959 2.371 1.00 0.00 H new ATOM 0 HA VAL A 49 12.160 1.332 2.905 1.00 0.00 H new ATOM 0 HB VAL A 49 11.363 -0.192 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.771 -1.449 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.168 -0.870 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.602 -0.036 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.956 -0.187 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.746 1.293 1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.756 1.323 -0.013 1.00 0.00 H new ATOM 783 N ASN A 50 11.734 3.601 0.875 1.00 0.00 N ATOM 784 CA ASN A 50 12.262 4.417 -0.225 1.00 0.00 C ATOM 785 C ASN A 50 11.652 3.984 -1.568 1.00 0.00 C ATOM 786 O ASN A 50 11.270 2.827 -1.755 1.00 0.00 O ATOM 787 CB ASN A 50 13.799 4.331 -0.272 1.00 0.00 C ATOM 788 CG ASN A 50 14.422 5.203 -1.351 1.00 0.00 C ATOM 789 OD1 ASN A 50 13.896 6.256 -1.700 1.00 0.00 O ATOM 790 ND2 ASN A 50 15.555 4.768 -1.881 1.00 0.00 N ATOM 0 H ASN A 50 11.121 4.111 1.511 1.00 0.00 H new ATOM 0 HA ASN A 50 11.982 5.455 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.201 4.624 0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.092 3.295 -0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.021 5.313 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.961 3.888 -1.564 1.00 0.00 H new ATOM 797 N ILE A 51 11.544 4.923 -2.496 1.00 0.00 N ATOM 798 CA ILE A 51 10.979 4.645 -3.807 1.00 0.00 C ATOM 799 C ILE A 51 11.996 3.921 -4.681 1.00 0.00 C ATOM 800 O ILE A 51 12.753 4.540 -5.429 1.00 0.00 O ATOM 801 CB ILE A 51 10.525 5.934 -4.516 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.570 6.729 -3.620 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.859 5.599 -5.843 1.00 0.00 C ATOM 804 CD1 ILE A 51 9.211 8.096 -4.165 1.00 0.00 C ATOM 0 H ILE A 51 11.842 5.889 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 51 10.106 4.010 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 51 11.402 6.550 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.655 6.153 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.025 6.849 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.543 6.519 -6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.567 5.071 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.990 4.966 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.532 8.596 -3.474 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.117 8.692 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.726 7.985 -5.135 1.00 0.00 H new ATOM 816 N LEU A 52 12.035 2.610 -4.538 1.00 0.00 N ATOM 817 CA LEU A 52 12.925 1.781 -5.338 1.00 0.00 C ATOM 818 C LEU A 52 12.158 1.029 -6.419 1.00 0.00 C ATOM 819 O LEU A 52 12.220 1.381 -7.595 1.00 0.00 O ATOM 820 CB LEU A 52 13.685 0.794 -4.449 1.00 0.00 C ATOM 821 CG LEU A 52 14.670 1.428 -3.464 1.00 0.00 C ATOM 822 CD1 LEU A 52 15.320 0.356 -2.606 1.00 0.00 C ATOM 823 CD2 LEU A 52 15.729 2.230 -4.207 1.00 0.00 C ATOM 0 H LEU A 52 11.460 2.092 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 52 13.642 2.441 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.961 0.206 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.231 0.100 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 52 14.120 2.108 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.018 0.821 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.552 -0.178 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.857 -0.345 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.420 2.673 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.278 1.572 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.249 3.020 -4.784 1.00 0.00 H new ATOM 835 N HIS A 53 11.416 0.001 -6.018 1.00 0.00 N ATOM 836 CA HIS A 53 10.717 -0.848 -6.980 1.00 0.00 C ATOM 837 C HIS A 53 9.213 -0.799 -6.754 1.00 0.00 C ATOM 838 O HIS A 53 8.557 -1.837 -6.653 1.00 0.00 O ATOM 839 CB HIS A 53 11.203 -2.302 -6.883 1.00 0.00 C ATOM 840 CG HIS A 53 12.678 -2.476 -7.078 1.00 0.00 C ATOM 841 ND1 HIS A 53 13.293 -2.414 -8.309 1.00 0.00 N ATOM 842 CD2 HIS A 53 13.664 -2.716 -6.181 1.00 0.00 C ATOM 843 CE1 HIS A 53 14.589 -2.612 -8.159 1.00 0.00 C ATOM 844 NE2 HIS A 53 14.843 -2.796 -6.878 1.00 0.00 N ATOM 0 H HIS A 53 11.283 -0.264 -5.042 1.00 0.00 H new ATOM 0 HA HIS A 53 10.939 -0.466 -7.977 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.929 -2.699 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.677 -2.898 -7.629 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.544 -2.824 -5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.320 -2.622 -8.954 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.763 -2.969 -6.473 1.00 0.00 H new ATOM 853 N LEU A 54 8.670 0.406 -6.686 1.00 0.00 N ATOM 854 CA LEU A 54 7.245 0.590 -6.456 1.00 0.00 C ATOM 855 C LEU A 54 6.650 1.514 -7.510 1.00 0.00 C ATOM 856 O LEU A 54 7.151 2.617 -7.726 1.00 0.00 O ATOM 857 CB LEU A 54 6.999 1.176 -5.061 1.00 0.00 C ATOM 858 CG LEU A 54 7.433 0.292 -3.889 1.00 0.00 C ATOM 859 CD1 LEU A 54 7.264 1.032 -2.573 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.636 -1.006 -3.872 1.00 0.00 C ATOM 0 H LEU A 54 9.196 1.274 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 54 6.761 -0.385 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.524 2.129 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.935 1.389 -4.958 1.00 0.00 H new ATOM 0 HG LEU A 54 8.488 0.048 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.577 0.388 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.876 1.934 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.217 1.305 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.959 -1.620 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.575 -0.780 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.803 -1.548 -4.803 1.00 0.00 H new ATOM 872 N GLU A 55 5.593 1.061 -8.169 1.00 0.00 N ATOM 873 CA GLU A 55 4.895 1.886 -9.145 1.00 0.00 C ATOM 874 C GLU A 55 3.503 2.243 -8.645 1.00 0.00 C ATOM 875 O GLU A 55 2.778 1.381 -8.149 1.00 0.00 O ATOM 876 CB GLU A 55 4.781 1.178 -10.495 1.00 0.00 C ATOM 877 CG GLU A 55 6.103 1.011 -11.219 1.00 0.00 C ATOM 878 CD GLU A 55 5.914 0.688 -12.686 1.00 0.00 C ATOM 879 OE1 GLU A 55 5.701 -0.494 -13.022 1.00 0.00 O ATOM 880 OE2 GLU A 55 5.972 1.622 -13.511 1.00 0.00 O ATOM 0 H GLU A 55 5.200 0.128 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 55 5.479 2.797 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.336 0.195 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.098 1.741 -11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.687 1.927 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.677 0.215 -10.744 1.00 0.00 H new ATOM 887 N PRO A 56 3.116 3.521 -8.763 1.00 0.00 N ATOM 888 CA PRO A 56 1.771 3.973 -8.404 1.00 0.00 C ATOM 889 C PRO A 56 0.723 3.437 -9.374 1.00 0.00 C ATOM 890 O PRO A 56 0.903 3.485 -10.594 1.00 0.00 O ATOM 891 CB PRO A 56 1.867 5.499 -8.492 1.00 0.00 C ATOM 892 CG PRO A 56 2.991 5.758 -9.433 1.00 0.00 C ATOM 893 CD PRO A 56 3.961 4.623 -9.256 1.00 0.00 C ATOM 0 HA PRO A 56 1.462 3.621 -7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.937 5.933 -8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.061 5.940 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.633 5.807 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.467 6.714 -9.216 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.451 4.364 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.748 4.875 -8.545 1.00 0.00 H new ATOM 901 N THR A 57 -0.361 2.913 -8.830 1.00 0.00 N ATOM 902 CA THR A 57 -1.405 2.311 -9.641 1.00 0.00 C ATOM 903 C THR A 57 -2.553 3.287 -9.884 1.00 0.00 C ATOM 904 O THR A 57 -2.514 4.438 -9.439 1.00 0.00 O ATOM 905 CB THR A 57 -1.960 1.030 -8.980 1.00 0.00 C ATOM 906 OG1 THR A 57 -2.446 1.324 -7.665 1.00 0.00 O ATOM 907 CG2 THR A 57 -0.891 -0.047 -8.894 1.00 0.00 C ATOM 0 H THR A 57 -0.542 2.892 -7.826 1.00 0.00 H new ATOM 0 HA THR A 57 -0.951 2.051 -10.597 1.00 0.00 H new ATOM 0 HB THR A 57 -2.778 0.661 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.700 1.608 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.309 -0.938 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.543 -0.295 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.054 0.318 -8.299 1.00 0.00 H new ATOM 915 N ASP A 58 -3.557 2.810 -10.606 1.00 0.00 N ATOM 916 CA ASP A 58 -4.764 3.578 -10.898 1.00 0.00 C ATOM 917 C ASP A 58 -5.555 3.884 -9.629 1.00 0.00 C ATOM 918 O ASP A 58 -6.263 4.889 -9.547 1.00 0.00 O ATOM 919 CB ASP A 58 -5.633 2.780 -11.874 1.00 0.00 C ATOM 920 CG ASP A 58 -7.054 3.293 -11.969 1.00 0.00 C ATOM 921 OD1 ASP A 58 -7.275 4.333 -12.619 1.00 0.00 O ATOM 922 OD2 ASP A 58 -7.962 2.646 -11.405 1.00 0.00 O ATOM 0 H ASP A 58 -3.559 1.873 -11.009 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.473 4.530 -11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.177 2.810 -12.863 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.651 1.736 -11.563 1.00 0.00 H new ATOM 927 N LYS A 59 -5.419 3.023 -8.634 1.00 0.00 N ATOM 928 CA LYS A 59 -6.216 3.139 -7.425 1.00 0.00 C ATOM 929 C LYS A 59 -5.541 4.050 -6.410 1.00 0.00 C ATOM 930 O LYS A 59 -4.333 3.967 -6.170 1.00 0.00 O ATOM 931 CB LYS A 59 -6.492 1.764 -6.807 1.00 0.00 C ATOM 932 CG LYS A 59 -7.413 0.876 -7.641 1.00 0.00 C ATOM 933 CD LYS A 59 -6.732 0.370 -8.905 1.00 0.00 C ATOM 934 CE LYS A 59 -7.683 -0.426 -9.785 1.00 0.00 C ATOM 935 NZ LYS A 59 -8.820 0.401 -10.269 1.00 0.00 N ATOM 0 H LYS A 59 -4.767 2.239 -8.640 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.171 3.584 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.544 1.247 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.935 1.904 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.738 0.027 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.308 1.436 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.339 1.216 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.881 -0.255 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.137 -0.826 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.068 -1.278 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.233 -0.038 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.544 0.466 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.480 1.355 -10.505 1.00 0.00 H new ATOM 949 N LYS A 60 -6.341 4.920 -5.824 1.00 0.00 N ATOM 950 CA LYS A 60 -5.860 5.894 -4.863 1.00 0.00 C ATOM 951 C LYS A 60 -6.975 6.280 -3.904 1.00 0.00 C ATOM 952 O LYS A 60 -8.086 6.594 -4.333 1.00 0.00 O ATOM 953 CB LYS A 60 -5.355 7.151 -5.586 1.00 0.00 C ATOM 954 CG LYS A 60 -5.027 8.306 -4.648 1.00 0.00 C ATOM 955 CD LYS A 60 -4.760 9.594 -5.409 1.00 0.00 C ATOM 956 CE LYS A 60 -4.591 10.770 -4.460 1.00 0.00 C ATOM 957 NZ LYS A 60 -4.453 12.056 -5.188 1.00 0.00 N ATOM 0 H LYS A 60 -7.344 4.971 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.039 5.447 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.464 6.896 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.111 7.478 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.855 8.458 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.153 8.050 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.861 9.481 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.584 9.792 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.450 10.822 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.711 10.610 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.806 12.832 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.451 12.221 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.005 12.017 -6.069 1.00 0.00 H new ATOM 971 N ILE A 61 -6.685 6.247 -2.616 1.00 0.00 N ATOM 972 CA ILE A 61 -7.620 6.741 -1.623 1.00 0.00 C ATOM 973 C ILE A 61 -7.339 8.214 -1.372 1.00 0.00 C ATOM 974 O ILE A 61 -6.193 8.607 -1.141 1.00 0.00 O ATOM 975 CB ILE A 61 -7.553 5.947 -0.295 1.00 0.00 C ATOM 976 CG1 ILE A 61 -6.131 5.956 0.282 1.00 0.00 C ATOM 977 CG2 ILE A 61 -8.038 4.520 -0.510 1.00 0.00 C ATOM 978 CD1 ILE A 61 -6.006 5.246 1.613 1.00 0.00 C ATOM 0 H ILE A 61 -5.812 5.884 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.629 6.607 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.208 6.433 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.456 5.487 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.804 6.989 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.986 3.972 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.069 4.536 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.407 4.029 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.972 5.295 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.654 5.728 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.301 4.203 1.498 1.00 0.00 H new ATOM 990 N ASP A 62 -8.367 9.037 -1.462 1.00 0.00 N ATOM 991 CA ASP A 62 -8.196 10.472 -1.292 1.00 0.00 C ATOM 992 C ASP A 62 -7.944 10.793 0.176 1.00 0.00 C ATOM 993 O ASP A 62 -8.841 10.686 1.014 1.00 0.00 O ATOM 994 CB ASP A 62 -9.418 11.231 -1.812 1.00 0.00 C ATOM 995 CG ASP A 62 -9.192 12.728 -1.847 1.00 0.00 C ATOM 996 OD1 ASP A 62 -8.314 13.182 -2.617 1.00 0.00 O ATOM 997 OD2 ASP A 62 -9.891 13.456 -1.111 1.00 0.00 O ATOM 0 H ASP A 62 -9.325 8.741 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.333 10.793 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.662 10.879 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.277 11.010 -1.178 1.00 0.00 H new ATOM 1002 N ILE A 63 -6.706 11.156 0.483 1.00 0.00 N ATOM 1003 CA ILE A 63 -6.289 11.378 1.855 1.00 0.00 C ATOM 1004 C ILE A 63 -5.186 12.442 1.898 1.00 0.00 C ATOM 1005 O ILE A 63 -4.665 12.840 0.854 1.00 0.00 O ATOM 1006 CB ILE A 63 -5.799 10.049 2.486 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -5.751 10.145 4.011 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -4.436 9.662 1.932 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -5.515 8.814 4.692 1.00 0.00 C ATOM 0 H ILE A 63 -5.970 11.303 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.139 11.737 2.435 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.514 9.270 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.960 10.837 4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.690 10.567 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.110 8.727 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.505 9.535 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.715 10.447 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.493 8.957 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.319 8.125 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.563 8.400 4.361 1.00 0.00 H new ATOM 1021 N GLN A 64 -4.853 12.904 3.096 1.00 0.00 N ATOM 1022 CA GLN A 64 -3.858 13.956 3.272 1.00 0.00 C ATOM 1023 C GLN A 64 -2.472 13.376 3.556 1.00 0.00 C ATOM 1024 O GLN A 64 -2.316 12.171 3.749 1.00 0.00 O ATOM 1025 CB GLN A 64 -4.294 14.905 4.397 1.00 0.00 C ATOM 1026 CG GLN A 64 -4.961 14.205 5.573 1.00 0.00 C ATOM 1027 CD GLN A 64 -5.402 15.170 6.661 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -5.684 16.343 6.397 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -5.518 14.671 7.879 1.00 0.00 N ATOM 0 H GLN A 64 -5.261 12.564 3.967 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.788 14.519 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.421 15.449 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.983 15.644 3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.827 13.648 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.268 13.478 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.275 13.696 8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.851 15.260 8.642 1.00 0.00 H new ATOM 1038 N LYS A 65 -1.475 14.254 3.574 1.00 0.00 N ATOM 1039 CA LYS A 65 -0.081 13.858 3.751 1.00 0.00 C ATOM 1040 C LYS A 65 0.211 13.490 5.204 1.00 0.00 C ATOM 1041 O LYS A 65 -0.048 14.277 6.118 1.00 0.00 O ATOM 1042 CB LYS A 65 0.831 15.005 3.306 1.00 0.00 C ATOM 1043 CG LYS A 65 2.316 14.727 3.460 1.00 0.00 C ATOM 1044 CD LYS A 65 3.132 15.969 3.143 1.00 0.00 C ATOM 1045 CE LYS A 65 2.808 17.104 4.107 1.00 0.00 C ATOM 1046 NZ LYS A 65 3.404 18.396 3.670 1.00 0.00 N ATOM 0 H LYS A 65 -1.609 15.259 3.466 1.00 0.00 H new ATOM 0 HA LYS A 65 0.109 12.976 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.624 15.232 2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.580 15.896 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.526 14.398 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.609 13.914 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.195 15.733 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.930 16.288 2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.726 17.213 4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.178 16.852 5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.159 19.140 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.438 18.301 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.032 18.651 2.733 1.00 0.00 H new ATOM 1060 N GLY A 66 0.756 12.297 5.411 1.00 0.00 N ATOM 1061 CA GLY A 66 1.105 11.863 6.751 1.00 0.00 C ATOM 1062 C GLY A 66 -0.065 11.200 7.441 1.00 0.00 C ATOM 1063 O GLY A 66 -0.449 11.591 8.545 1.00 0.00 O ATOM 0 H GLY A 66 0.963 11.622 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.942 11.167 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.437 12.720 7.337 1.00 0.00 H new ATOM 1067 N ALA A 67 -0.626 10.198 6.784 1.00 0.00 N ATOM 1068 CA ALA A 67 -1.812 9.522 7.276 1.00 0.00 C ATOM 1069 C ALA A 67 -1.511 8.666 8.498 1.00 0.00 C ATOM 1070 O ALA A 67 -0.399 8.158 8.666 1.00 0.00 O ATOM 1071 CB ALA A 67 -2.414 8.667 6.176 1.00 0.00 C ATOM 0 H ALA A 67 -0.273 9.833 5.899 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.528 10.286 7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.304 8.163 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.686 9.300 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.685 7.924 5.853 1.00 0.00 H new ATOM 1077 N SER A 68 -2.510 8.510 9.345 1.00 0.00 N ATOM 1078 CA SER A 68 -2.382 7.686 10.533 1.00 0.00 C ATOM 1079 C SER A 68 -3.163 6.387 10.360 1.00 0.00 C ATOM 1080 O SER A 68 -4.046 6.305 9.507 1.00 0.00 O ATOM 1081 CB SER A 68 -2.865 8.463 11.760 1.00 0.00 C ATOM 1082 OG SER A 68 -4.074 9.152 11.488 1.00 0.00 O ATOM 0 H SER A 68 -3.425 8.946 9.232 1.00 0.00 H new ATOM 0 HA SER A 68 -1.333 7.430 10.682 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.014 7.776 12.593 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.099 9.175 12.067 1.00 0.00 H new ATOM 0 HG SER A 68 -4.361 9.638 12.289 1.00 0.00 H new ATOM 1088 N ASP A 69 -2.821 5.380 11.163 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.430 4.047 11.070 1.00 0.00 C ATOM 1090 C ASP A 69 -4.960 4.127 11.023 1.00 0.00 C ATOM 1091 O ASP A 69 -5.595 3.581 10.119 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.986 3.195 12.265 1.00 0.00 C ATOM 1093 CG ASP A 69 -3.407 1.741 12.147 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.582 1.432 12.427 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.554 0.897 11.805 1.00 0.00 O ATOM 0 H ASP A 69 -2.116 5.461 11.896 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.094 3.585 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.901 3.247 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.405 3.616 13.179 1.00 0.00 H new ATOM 1100 N GLU A 70 -5.538 4.835 11.986 1.00 0.00 N ATOM 1101 CA GLU A 70 -6.980 5.003 12.068 1.00 0.00 C ATOM 1102 C GLU A 70 -7.531 5.733 10.845 1.00 0.00 C ATOM 1103 O GLU A 70 -8.579 5.366 10.309 1.00 0.00 O ATOM 1104 CB GLU A 70 -7.320 5.776 13.338 1.00 0.00 C ATOM 1105 CG GLU A 70 -7.280 4.926 14.597 1.00 0.00 C ATOM 1106 CD GLU A 70 -8.450 3.965 14.682 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -8.427 2.925 13.992 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -9.412 4.262 15.423 1.00 0.00 O ATOM 0 H GLU A 70 -5.021 5.306 12.728 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.443 4.017 12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.621 6.605 13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.315 6.210 13.234 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.347 4.362 14.622 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.283 5.576 15.472 1.00 0.00 H new ATOM 1115 N GLU A 71 -6.807 6.750 10.400 1.00 0.00 N ATOM 1116 CA GLU A 71 -7.217 7.556 9.256 1.00 0.00 C ATOM 1117 C GLU A 71 -7.199 6.724 7.973 1.00 0.00 C ATOM 1118 O GLU A 71 -8.096 6.837 7.132 1.00 0.00 O ATOM 1119 CB GLU A 71 -6.291 8.764 9.131 1.00 0.00 C ATOM 1120 CG GLU A 71 -6.651 9.725 8.012 1.00 0.00 C ATOM 1121 CD GLU A 71 -5.750 10.939 8.007 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -4.525 10.773 7.847 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -6.256 12.063 8.194 1.00 0.00 O ATOM 0 H GLU A 71 -5.923 7.040 10.818 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.239 7.903 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.297 9.308 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.272 8.409 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.576 9.212 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.688 10.042 8.124 1.00 0.00 H new ATOM 1130 N VAL A 72 -6.186 5.876 7.837 1.00 0.00 N ATOM 1131 CA VAL A 72 -6.091 4.969 6.702 1.00 0.00 C ATOM 1132 C VAL A 72 -7.285 4.021 6.688 1.00 0.00 C ATOM 1133 O VAL A 72 -7.892 3.780 5.644 1.00 0.00 O ATOM 1134 CB VAL A 72 -4.785 4.146 6.742 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -4.725 3.165 5.581 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -3.575 5.063 6.710 1.00 0.00 C ATOM 0 H VAL A 72 -5.417 5.799 8.502 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.088 5.574 5.796 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.774 3.580 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.796 2.598 5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.572 2.481 5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.765 3.713 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.664 4.465 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.591 5.655 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.600 5.728 7.573 1.00 0.00 H new ATOM 1146 N LYS A 73 -7.627 3.502 7.861 1.00 0.00 N ATOM 1147 CA LYS A 73 -8.766 2.605 8.002 1.00 0.00 C ATOM 1148 C LYS A 73 -10.056 3.318 7.605 1.00 0.00 C ATOM 1149 O LYS A 73 -10.951 2.724 7.005 1.00 0.00 O ATOM 1150 CB LYS A 73 -8.871 2.110 9.445 1.00 0.00 C ATOM 1151 CG LYS A 73 -9.809 0.923 9.624 1.00 0.00 C ATOM 1152 CD LYS A 73 -9.904 0.481 11.080 1.00 0.00 C ATOM 1153 CE LYS A 73 -10.849 1.360 11.893 1.00 0.00 C ATOM 1154 NZ LYS A 73 -10.293 2.715 12.167 1.00 0.00 N ATOM 0 H LYS A 73 -7.129 3.688 8.731 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.618 1.751 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.877 1.832 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.214 2.930 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.802 1.188 9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.459 0.090 9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.247 -0.553 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.912 0.506 11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.793 1.462 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.072 0.867 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.825 3.158 12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.292 2.631 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.373 3.302 11.313 1.00 0.00 H new ATOM 1168 N LYS A 74 -10.137 4.597 7.944 1.00 0.00 N ATOM 1169 CA LYS A 74 -11.306 5.406 7.620 1.00 0.00 C ATOM 1170 C LYS A 74 -11.433 5.600 6.111 1.00 0.00 C ATOM 1171 O LYS A 74 -12.511 5.442 5.542 1.00 0.00 O ATOM 1172 CB LYS A 74 -11.214 6.770 8.297 1.00 0.00 C ATOM 1173 CG LYS A 74 -12.517 7.547 8.261 1.00 0.00 C ATOM 1174 CD LYS A 74 -12.330 8.978 8.726 1.00 0.00 C ATOM 1175 CE LYS A 74 -13.639 9.751 8.687 1.00 0.00 C ATOM 1176 NZ LYS A 74 -14.300 9.651 7.358 1.00 0.00 N ATOM 0 H LYS A 74 -9.404 5.099 8.445 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.187 4.878 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.909 6.633 9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.435 7.357 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.915 7.543 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.253 7.052 8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.933 8.983 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.594 9.474 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.310 9.369 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.450 10.799 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.822 10.529 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.580 9.506 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.961 8.848 7.359 1.00 0.00 H new ATOM 1190 N LYS A 75 -10.325 5.947 5.468 1.00 0.00 N ATOM 1191 CA LYS A 75 -10.309 6.132 4.017 1.00 0.00 C ATOM 1192 C LYS A 75 -10.556 4.811 3.293 1.00 0.00 C ATOM 1193 O LYS A 75 -11.101 4.790 2.187 1.00 0.00 O ATOM 1194 CB LYS A 75 -8.986 6.753 3.561 1.00 0.00 C ATOM 1195 CG LYS A 75 -9.055 8.262 3.357 1.00 0.00 C ATOM 1196 CD LYS A 75 -9.538 8.988 4.605 1.00 0.00 C ATOM 1197 CE LYS A 75 -9.627 10.493 4.387 1.00 0.00 C ATOM 1198 NZ LYS A 75 -10.509 10.848 3.239 1.00 0.00 N ATOM 0 H LYS A 75 -9.427 6.106 5.924 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.117 6.817 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.217 6.530 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.677 6.283 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.069 8.635 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.725 8.485 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.517 8.604 4.893 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.859 8.780 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.005 10.967 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.628 10.892 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.062 11.696 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.926 11.038 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.155 10.058 3.040 1.00 0.00 H new ATOM 1212 N LEU A 76 -10.155 3.714 3.925 1.00 0.00 N ATOM 1213 CA LEU A 76 -10.435 2.383 3.400 1.00 0.00 C ATOM 1214 C LEU A 76 -11.943 2.142 3.385 1.00 0.00 C ATOM 1215 O LEU A 76 -12.474 1.486 2.486 1.00 0.00 O ATOM 1216 CB LEU A 76 -9.733 1.315 4.245 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.852 -0.121 3.722 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -9.143 -0.264 2.382 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -9.282 -1.103 4.735 1.00 0.00 C ATOM 0 H LEU A 76 -9.635 3.720 4.802 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.054 2.317 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.676 1.571 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.140 1.350 5.256 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.908 -0.348 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.239 -1.290 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.594 0.414 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.088 -0.018 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.374 -2.118 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.231 -0.875 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.833 -1.020 5.672 1.00 0.00 H new ATOM 1231 N GLU A 77 -12.616 2.686 4.391 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.074 2.642 4.479 1.00 0.00 C ATOM 1233 C GLU A 77 -14.703 3.542 3.420 1.00 0.00 C ATOM 1234 O GLU A 77 -15.570 3.111 2.661 1.00 0.00 O ATOM 1235 CB GLU A 77 -14.530 3.102 5.864 1.00 0.00 C ATOM 1236 CG GLU A 77 -16.033 3.280 5.981 1.00 0.00 C ATOM 1237 CD GLU A 77 -16.460 3.775 7.343 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -16.185 4.947 7.674 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -17.094 2.997 8.083 1.00 0.00 O ATOM 0 H GLU A 77 -12.169 3.170 5.169 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.395 1.614 4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.200 2.375 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.041 4.046 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.371 3.985 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.524 2.329 5.775 1.00 0.00 H new ATOM 1246 N GLU A 78 -14.245 4.789 3.386 1.00 0.00 N ATOM 1247 CA GLU A 78 -14.762 5.799 2.456 1.00 0.00 C ATOM 1248 C GLU A 78 -14.735 5.304 1.011 1.00 0.00 C ATOM 1249 O GLU A 78 -15.667 5.546 0.245 1.00 0.00 O ATOM 1250 CB GLU A 78 -13.947 7.091 2.566 1.00 0.00 C ATOM 1251 CG GLU A 78 -14.131 7.821 3.888 1.00 0.00 C ATOM 1252 CD GLU A 78 -13.229 9.033 4.019 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -12.925 9.675 2.993 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -12.822 9.357 5.153 1.00 0.00 O ATOM 0 H GLU A 78 -13.506 5.132 4.000 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.799 5.993 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.891 6.856 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.228 7.758 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.170 8.135 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.930 7.133 4.709 1.00 0.00 H new ATOM 1261 N SER A 79 -13.666 4.617 0.647 1.00 0.00 N ATOM 1262 CA SER A 79 -13.507 4.122 -0.704 1.00 0.00 C ATOM 1263 C SER A 79 -14.100 2.723 -0.854 1.00 0.00 C ATOM 1264 O SER A 79 -14.358 2.267 -1.969 1.00 0.00 O ATOM 1265 CB SER A 79 -12.022 4.098 -1.050 1.00 0.00 C ATOM 1266 OG SER A 79 -11.405 5.324 -0.700 1.00 0.00 O ATOM 0 H SER A 79 -12.894 4.390 1.273 1.00 0.00 H new ATOM 0 HA SER A 79 -14.040 4.784 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.535 3.277 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.895 3.913 -2.117 1.00 0.00 H new ATOM 0 HG SER A 79 -11.235 5.341 0.265 1.00 0.00 H new ATOM 1272 N ASN A 80 -14.339 2.070 0.282 1.00 0.00 N ATOM 1273 CA ASN A 80 -14.712 0.656 0.323 1.00 0.00 C ATOM 1274 C ASN A 80 -13.781 -0.150 -0.578 1.00 0.00 C ATOM 1275 O ASN A 80 -14.173 -0.654 -1.633 1.00 0.00 O ATOM 1276 CB ASN A 80 -16.184 0.442 -0.064 1.00 0.00 C ATOM 1277 CG ASN A 80 -16.654 -0.980 0.201 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.083 -1.309 1.308 1.00 0.00 O ATOM 1279 ND2 ASN A 80 -16.582 -1.832 -0.811 1.00 0.00 N ATOM 0 H ASN A 80 -14.280 2.507 1.202 1.00 0.00 H new ATOM 0 HA ASN A 80 -14.603 0.304 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.809 1.138 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.316 0.674 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.888 -2.797 -0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.221 -1.523 -1.713 1.00 0.00 H new ATOM 1286 N LEU A 81 -12.528 -0.229 -0.163 1.00 0.00 N ATOM 1287 CA LEU A 81 -11.495 -0.863 -0.967 1.00 0.00 C ATOM 1288 C LEU A 81 -10.971 -2.111 -0.257 1.00 0.00 C ATOM 1289 O LEU A 81 -9.896 -2.620 -0.574 1.00 0.00 O ATOM 1290 CB LEU A 81 -10.359 0.136 -1.208 1.00 0.00 C ATOM 1291 CG LEU A 81 -9.424 -0.192 -2.372 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -10.171 -0.122 -3.696 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -8.243 0.759 -2.376 1.00 0.00 C ATOM 0 H LEU A 81 -12.200 0.139 0.730 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.913 -1.166 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.796 1.119 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.764 0.208 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.053 -1.209 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.488 -0.359 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.991 -0.840 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.570 0.883 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.583 0.516 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.601 1.783 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.695 0.662 -1.439 1.00 0.00 H new ATOM 1305 N THR A 82 -11.762 -2.599 0.694 1.00 0.00 N ATOM 1306 CA THR A 82 -11.381 -3.729 1.534 1.00 0.00 C ATOM 1307 C THR A 82 -11.043 -4.970 0.703 1.00 0.00 C ATOM 1308 O THR A 82 -9.958 -5.540 0.837 1.00 0.00 O ATOM 1309 CB THR A 82 -12.518 -4.066 2.521 1.00 0.00 C ATOM 1310 OG1 THR A 82 -13.021 -2.856 3.110 1.00 0.00 O ATOM 1311 CG2 THR A 82 -12.027 -5.001 3.615 1.00 0.00 C ATOM 0 H THR A 82 -12.686 -2.221 0.904 1.00 0.00 H new ATOM 0 HA THR A 82 -10.487 -3.437 2.085 1.00 0.00 H new ATOM 0 HB THR A 82 -13.315 -4.567 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.744 -3.072 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.847 -5.224 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.666 -5.927 3.167 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.216 -4.523 4.165 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.961 -5.363 -0.172 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.801 -6.563 -0.983 1.00 0.00 C ATOM 1321 C GLU A 83 -10.611 -6.451 -1.931 1.00 0.00 C ATOM 1322 O GLU A 83 -9.950 -7.446 -2.225 1.00 0.00 O ATOM 1323 CB GLU A 83 -13.084 -6.830 -1.771 1.00 0.00 C ATOM 1324 CG GLU A 83 -14.149 -7.585 -0.985 1.00 0.00 C ATOM 1325 CD GLU A 83 -14.496 -6.928 0.338 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -15.291 -5.965 0.337 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -13.981 -7.378 1.381 1.00 0.00 O ATOM 0 H GLU A 83 -12.833 -4.861 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.606 -7.399 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.499 -5.878 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.836 -7.400 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.051 -7.663 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.801 -8.601 -0.798 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.330 -5.236 -2.386 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.246 -5.009 -3.335 1.00 0.00 C ATOM 1336 C TYR A 84 -7.885 -5.262 -2.688 1.00 0.00 C ATOM 1337 O TYR A 84 -6.924 -5.631 -3.365 1.00 0.00 O ATOM 1338 CB TYR A 84 -9.314 -3.584 -3.890 1.00 0.00 C ATOM 1339 CG TYR A 84 -8.262 -3.283 -4.938 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -8.376 -3.787 -6.226 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -7.151 -2.505 -4.630 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -7.417 -3.518 -7.184 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -6.188 -2.229 -5.582 1.00 0.00 C ATOM 1344 CZ TYR A 84 -6.322 -2.740 -6.857 1.00 0.00 C ATOM 1345 OH TYR A 84 -5.363 -2.468 -7.808 1.00 0.00 O ATOM 0 H TYR A 84 -10.837 -4.394 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.365 -5.714 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.301 -3.420 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.205 -2.878 -3.067 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.228 -4.399 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.039 -2.110 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.522 -3.914 -8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.335 -1.617 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.662 -1.908 -7.415 1.00 0.00 H new ATOM 1355 N MET A 85 -7.802 -5.057 -1.384 1.00 0.00 N ATOM 1356 CA MET A 85 -6.576 -5.309 -0.653 1.00 0.00 C ATOM 1357 C MET A 85 -6.584 -6.702 -0.037 1.00 0.00 C ATOM 1358 O MET A 85 -5.543 -7.212 0.377 1.00 0.00 O ATOM 1359 CB MET A 85 -6.391 -4.263 0.438 1.00 0.00 C ATOM 1360 CG MET A 85 -5.752 -2.980 -0.055 1.00 0.00 C ATOM 1361 SD MET A 85 -4.141 -3.266 -0.814 1.00 0.00 S ATOM 1362 CE MET A 85 -3.632 -1.585 -1.148 1.00 0.00 C ATOM 0 H MET A 85 -8.573 -4.716 -0.810 1.00 0.00 H new ATOM 0 HA MET A 85 -5.745 -5.248 -1.355 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.362 -4.031 0.876 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.775 -4.684 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.413 -2.502 -0.779 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.640 -2.288 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.189 -1.530 -2.142 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.499 -0.926 -1.100 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.897 -1.273 -0.406 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.761 -7.307 0.017 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.911 -8.633 0.592 1.00 0.00 C ATOM 1374 C LYS A 86 -7.461 -9.702 -0.401 1.00 0.00 C ATOM 1375 O LYS A 86 -6.769 -10.650 -0.032 1.00 0.00 O ATOM 1376 CB LYS A 86 -9.365 -8.864 1.012 1.00 0.00 C ATOM 1377 CG LYS A 86 -9.603 -10.199 1.699 1.00 0.00 C ATOM 1378 CD LYS A 86 -11.002 -10.283 2.288 1.00 0.00 C ATOM 1379 CE LYS A 86 -12.079 -10.114 1.227 1.00 0.00 C ATOM 1380 NZ LYS A 86 -13.441 -10.201 1.810 1.00 0.00 N ATOM 0 H LYS A 86 -8.628 -6.898 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.278 -8.704 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.671 -8.061 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.002 -8.802 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.460 -11.008 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.866 -10.339 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.129 -11.245 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.121 -9.514 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.955 -9.150 0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.961 -10.882 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.012 -10.873 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.377 -10.527 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.890 -9.263 1.784 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.851 -9.543 -1.663 1.00 0.00 N ATOM 1395 CA GLU A 87 -7.437 -10.463 -2.704 1.00 0.00 C ATOM 1396 C GLU A 87 -5.994 -10.179 -3.114 1.00 0.00 C ATOM 1397 O GLU A 87 -5.520 -9.040 -3.020 1.00 0.00 O ATOM 1398 CB GLU A 87 -8.365 -10.346 -3.911 1.00 0.00 C ATOM 1399 CG GLU A 87 -8.358 -8.978 -4.573 1.00 0.00 C ATOM 1400 CD GLU A 87 -9.142 -8.965 -5.866 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -8.603 -9.429 -6.893 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -10.301 -8.506 -5.863 1.00 0.00 O ATOM 0 H GLU A 87 -8.453 -8.784 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.496 -11.480 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.079 -11.096 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.382 -10.580 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.779 -8.242 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.329 -8.677 -4.771 1.00 0.00 H new ATOM 1409 N LYS A 88 -5.297 -11.206 -3.567 1.00 0.00 N ATOM 1410 CA LYS A 88 -3.904 -11.061 -3.954 1.00 0.00 C ATOM 1411 C LYS A 88 -3.770 -10.973 -5.471 1.00 0.00 C ATOM 1412 O LYS A 88 -4.708 -11.282 -6.211 1.00 0.00 O ATOM 1413 CB LYS A 88 -3.082 -12.243 -3.432 1.00 0.00 C ATOM 1414 CG LYS A 88 -3.431 -13.567 -4.098 1.00 0.00 C ATOM 1415 CD LYS A 88 -2.594 -14.712 -3.553 1.00 0.00 C ATOM 1416 CE LYS A 88 -2.949 -15.031 -2.109 1.00 0.00 C ATOM 1417 NZ LYS A 88 -2.150 -16.172 -1.590 1.00 0.00 N ATOM 0 H LYS A 88 -5.672 -12.148 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.525 -10.138 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.023 -12.036 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.235 -12.335 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.488 -13.784 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.277 -13.484 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.745 -15.598 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.537 -14.454 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.776 -14.152 -1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.011 -15.267 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.417 -16.363 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.335 -17.017 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.138 -15.936 -1.635 1.00 0.00 H new