USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 671 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.362 K(o=-0.36,f=-1.9) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.0242 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -160:sc= -0.671 (180deg=-1.97!) USER MOD Single : A 26 GLN : amide:sc=-0.00387 X(o=-0.0039,f=0) USER MOD Single : A 27 ASN :FLIP amide:sc= 0.549 F(o=-0.23,f=0.55) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0207) USER MOD Single : A 38 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.98) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 55 SER OG : rot 67:sc= 0.685 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -18:sc= -0.478 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.605 USER MOD Single : A 67 SER OG : rot 130:sc= -0.16 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.55 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -11:sc= 0.791 USER MOD Single : A 86 ASN : amide:sc= -0.556 K(o=-0.56,f=-4) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.070 -14.869 -3.792 1.00 0.00 N ATOM 60 CA GLY A 7 -5.803 -13.466 -3.527 1.00 0.00 C ATOM 61 C GLY A 7 -5.769 -12.659 -4.827 1.00 0.00 C ATOM 62 O GLY A 7 -6.215 -13.136 -5.869 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.571 -13.065 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.850 -13.365 -3.007 1.00 0.00 H new ATOM 66 N MET A 8 -5.235 -11.451 -4.722 1.00 0.00 N ATOM 67 CA MET A 8 -5.136 -10.574 -5.876 1.00 0.00 C ATOM 68 C MET A 8 -3.827 -9.783 -5.854 1.00 0.00 C ATOM 69 O MET A 8 -3.006 -9.960 -4.954 1.00 0.00 O ATOM 70 CB MET A 8 -6.319 -9.603 -5.882 1.00 0.00 C ATOM 71 CG MET A 8 -6.673 -9.162 -4.460 1.00 0.00 C ATOM 72 SD MET A 8 -7.122 -7.434 -4.451 1.00 0.00 S ATOM 73 CE MET A 8 -8.899 -7.576 -4.369 1.00 0.00 C ATOM 0 H MET A 8 -4.866 -11.059 -3.855 1.00 0.00 H new ATOM 0 HA MET A 8 -5.152 -11.187 -6.777 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.075 -8.730 -6.487 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.183 -10.080 -6.345 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.499 -9.763 -4.079 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.824 -9.329 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.343 -6.581 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.261 -8.123 -5.240 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.180 -8.111 -3.462 1.00 0.00 H new ATOM 83 N THR A 9 -3.671 -8.929 -6.854 1.00 0.00 N ATOM 84 CA THR A 9 -2.475 -8.111 -6.961 1.00 0.00 C ATOM 85 C THR A 9 -2.850 -6.638 -7.138 1.00 0.00 C ATOM 86 O THR A 9 -3.190 -6.209 -8.239 1.00 0.00 O ATOM 87 CB THR A 9 -1.625 -8.663 -8.107 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.795 -9.639 -7.484 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.639 -7.630 -8.656 1.00 0.00 C ATOM 0 H THR A 9 -4.354 -8.785 -7.598 1.00 0.00 H new ATOM 0 HA THR A 9 -1.883 -8.156 -6.047 1.00 0.00 H new ATOM 0 HB THR A 9 -2.277 -9.004 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.211 -10.049 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.061 -8.074 -9.467 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.188 -6.767 -9.032 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.036 -7.313 -7.861 1.00 0.00 H new ATOM 97 N VAL A 10 -2.776 -5.906 -6.037 1.00 0.00 N ATOM 98 CA VAL A 10 -3.104 -4.490 -6.056 1.00 0.00 C ATOM 99 C VAL A 10 -1.816 -3.675 -6.193 1.00 0.00 C ATOM 100 O VAL A 10 -0.959 -3.709 -5.311 1.00 0.00 O ATOM 101 CB VAL A 10 -3.914 -4.123 -4.811 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.178 -2.617 -4.753 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.224 -4.912 -4.758 1.00 0.00 C ATOM 0 H VAL A 10 -2.494 -6.266 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.731 -4.255 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.324 -4.393 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.755 -2.383 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.229 -2.082 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.738 -2.312 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.781 -4.633 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.820 -4.687 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.005 -5.979 -4.730 1.00 0.00 H new ATOM 113 N ARG A 11 -1.721 -2.961 -7.306 1.00 0.00 N ATOM 114 CA ARG A 11 -0.552 -2.139 -7.569 1.00 0.00 C ATOM 115 C ARG A 11 -0.724 -0.756 -6.939 1.00 0.00 C ATOM 116 O ARG A 11 -1.820 -0.197 -6.947 1.00 0.00 O ATOM 117 CB ARG A 11 -0.318 -1.981 -9.073 1.00 0.00 C ATOM 118 CG ARG A 11 0.353 -3.227 -9.657 1.00 0.00 C ATOM 119 CD ARG A 11 0.669 -3.034 -11.141 1.00 0.00 C ATOM 120 NE ARG A 11 0.442 -4.299 -11.875 1.00 0.00 N ATOM 121 CZ ARG A 11 1.280 -5.344 -11.848 1.00 0.00 C ATOM 122 NH1 ARG A 11 2.404 -5.283 -11.122 1.00 0.00 N ATOM 123 NH2 ARG A 11 0.992 -6.452 -12.545 1.00 0.00 N ATOM 0 H ARG A 11 -2.434 -2.935 -8.035 1.00 0.00 H new ATOM 0 HA ARG A 11 0.311 -2.638 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.269 -1.806 -9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.306 -1.107 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.272 -3.440 -9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.301 -4.090 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.041 -2.246 -11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.704 -2.714 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.406 -4.380 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.622 -4.441 -10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.042 -6.079 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.135 -6.500 -13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.630 -7.248 -12.525 1.00 0.00 H new ATOM 137 N VAL A 12 0.376 -0.242 -6.408 1.00 0.00 N ATOM 138 CA VAL A 12 0.361 1.066 -5.775 1.00 0.00 C ATOM 139 C VAL A 12 1.357 1.984 -6.486 1.00 0.00 C ATOM 140 O VAL A 12 2.510 2.093 -6.074 1.00 0.00 O ATOM 141 CB VAL A 12 0.642 0.925 -4.277 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.800 2.297 -3.618 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.452 0.108 -3.588 1.00 0.00 C ATOM 0 H VAL A 12 1.283 -0.708 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.624 1.523 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 12 1.583 0.387 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.999 2.169 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.631 2.829 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.117 2.871 -3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.228 0.023 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.413 0.605 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.496 -0.887 -4.030 1.00 0.00 H new ATOM 153 N CYS A 13 0.874 2.621 -7.543 1.00 0.00 N ATOM 154 CA CYS A 13 1.708 3.526 -8.316 1.00 0.00 C ATOM 155 C CYS A 13 1.995 4.762 -7.462 1.00 0.00 C ATOM 156 O CYS A 13 1.317 5.780 -7.589 1.00 0.00 O ATOM 157 CB CYS A 13 1.056 3.894 -9.651 1.00 0.00 C ATOM 158 SG CYS A 13 0.270 2.417 -10.391 1.00 0.00 S ATOM 0 H CYS A 13 -0.084 2.528 -7.882 1.00 0.00 H new ATOM 0 HA CYS A 13 2.647 3.034 -8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.311 4.675 -9.498 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.805 4.297 -10.332 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.282 2.740 -11.522 1.00 0.00 H new ATOM 164 N LYS A 14 3.002 4.632 -6.610 1.00 0.00 N ATOM 165 CA LYS A 14 3.388 5.726 -5.735 1.00 0.00 C ATOM 166 C LYS A 14 3.293 7.046 -6.503 1.00 0.00 C ATOM 167 O LYS A 14 3.600 7.099 -7.693 1.00 0.00 O ATOM 168 CB LYS A 14 4.768 5.465 -5.128 1.00 0.00 C ATOM 169 CG LYS A 14 4.670 4.518 -3.930 1.00 0.00 C ATOM 170 CD LYS A 14 6.057 4.197 -3.371 1.00 0.00 C ATOM 171 CE LYS A 14 6.851 3.322 -4.342 1.00 0.00 C ATOM 172 NZ LYS A 14 8.179 2.993 -3.777 1.00 0.00 N ATOM 0 H LYS A 14 3.562 3.786 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 14 2.703 5.799 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.426 5.035 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.216 6.408 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.056 4.972 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.173 3.596 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.600 5.123 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.958 3.686 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.300 2.405 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.972 3.841 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.705 2.399 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.709 3.871 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.057 2.478 -2.881 1.00 0.00 H new ATOM 237 N VAL A 19 5.610 1.576 -8.717 1.00 0.00 N ATOM 238 CA VAL A 19 4.423 0.809 -8.377 1.00 0.00 C ATOM 239 C VAL A 19 4.840 -0.485 -7.676 1.00 0.00 C ATOM 240 O VAL A 19 5.784 -1.149 -8.101 1.00 0.00 O ATOM 241 CB VAL A 19 3.581 0.565 -9.631 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.471 0.391 -10.864 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.659 -0.642 -9.445 1.00 0.00 C ATOM 0 HA VAL A 19 3.794 1.366 -7.683 1.00 0.00 H new ATOM 0 HB VAL A 19 2.955 1.443 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.848 0.219 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.066 1.292 -11.013 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.134 -0.462 -10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.071 -0.794 -10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.258 -1.531 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.989 -0.462 -8.604 1.00 0.00 H new ATOM 253 N MET A 20 4.117 -0.803 -6.612 1.00 0.00 N ATOM 254 CA MET A 20 4.401 -2.006 -5.848 1.00 0.00 C ATOM 255 C MET A 20 3.206 -2.962 -5.867 1.00 0.00 C ATOM 256 O MET A 20 2.102 -2.589 -5.476 1.00 0.00 O ATOM 257 CB MET A 20 4.728 -1.627 -4.402 1.00 0.00 C ATOM 258 CG MET A 20 5.929 -0.679 -4.342 1.00 0.00 C ATOM 259 SD MET A 20 6.353 -0.339 -2.643 1.00 0.00 S ATOM 260 CE MET A 20 4.721 -0.121 -1.953 1.00 0.00 C ATOM 0 H MET A 20 3.336 -0.249 -6.261 1.00 0.00 H new ATOM 0 HA MET A 20 5.254 -2.510 -6.303 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.862 -1.152 -3.942 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.941 -2.527 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.781 -1.125 -4.856 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.695 0.251 -4.860 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.793 0.433 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.100 0.434 -2.656 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.273 -1.096 -1.764 1.00 0.00 H new ATOM 270 N PRO A 21 3.476 -4.209 -6.337 1.00 0.00 N ATOM 271 CA PRO A 21 2.437 -5.222 -6.412 1.00 0.00 C ATOM 272 C PRO A 21 2.112 -5.778 -5.024 1.00 0.00 C ATOM 273 O PRO A 21 2.886 -6.554 -4.465 1.00 0.00 O ATOM 274 CB PRO A 21 2.982 -6.276 -7.361 1.00 0.00 C ATOM 275 CG PRO A 21 4.484 -6.049 -7.418 1.00 0.00 C ATOM 276 CD PRO A 21 4.773 -4.687 -6.808 1.00 0.00 C ATOM 0 HA PRO A 21 1.490 -4.826 -6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.752 -7.280 -7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.535 -6.180 -8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.009 -6.832 -6.871 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.837 -6.089 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.488 -4.764 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.202 -4.007 -7.543 1.00 0.00 H new ATOM 284 N VAL A 22 0.966 -5.359 -4.508 1.00 0.00 N ATOM 285 CA VAL A 22 0.529 -5.806 -3.196 1.00 0.00 C ATOM 286 C VAL A 22 -0.518 -6.910 -3.360 1.00 0.00 C ATOM 287 O VAL A 22 -1.255 -6.930 -4.344 1.00 0.00 O ATOM 288 CB VAL A 22 0.018 -4.615 -2.381 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.376 -5.047 -0.967 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.057 -3.493 -2.342 1.00 0.00 C ATOM 0 H VAL A 22 0.327 -4.715 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 22 1.365 -6.230 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.874 -4.229 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.735 -4.182 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.165 -5.797 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.492 -5.470 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.670 -2.659 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.974 -3.862 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.268 -3.157 -3.357 1.00 0.00 H new ATOM 300 N VAL A 23 -0.549 -7.802 -2.381 1.00 0.00 N ATOM 301 CA VAL A 23 -1.492 -8.907 -2.404 1.00 0.00 C ATOM 302 C VAL A 23 -2.443 -8.785 -1.213 1.00 0.00 C ATOM 303 O VAL A 23 -2.052 -8.309 -0.148 1.00 0.00 O ATOM 304 CB VAL A 23 -0.738 -10.238 -2.434 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.699 -11.416 -2.254 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.070 -10.382 -3.725 1.00 0.00 C ATOM 0 H VAL A 23 0.064 -7.782 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.099 -8.872 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.038 -10.245 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.138 -12.350 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.210 -11.325 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.434 -11.412 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.596 -11.337 -3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.603 -10.343 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.793 -9.569 -3.794 1.00 0.00 H new ATOM 316 N VAL A 24 -3.675 -9.223 -1.432 1.00 0.00 N ATOM 317 CA VAL A 24 -4.685 -9.169 -0.389 1.00 0.00 C ATOM 318 C VAL A 24 -5.733 -10.254 -0.643 1.00 0.00 C ATOM 319 O VAL A 24 -5.794 -10.820 -1.734 1.00 0.00 O ATOM 320 CB VAL A 24 -5.285 -7.764 -0.314 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.249 -6.749 0.173 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.870 -7.345 -1.665 1.00 0.00 C ATOM 0 H VAL A 24 -3.996 -9.617 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.239 -9.370 0.585 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.098 -7.786 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.702 -5.759 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.900 -7.033 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.405 -6.731 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.290 -6.342 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.083 -7.349 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.654 -8.045 -1.955 1.00 0.00 H new ATOM 332 N VAL A 25 -6.532 -10.513 0.382 1.00 0.00 N ATOM 333 CA VAL A 25 -7.574 -11.520 0.283 1.00 0.00 C ATOM 334 C VAL A 25 -8.520 -11.158 -0.863 1.00 0.00 C ATOM 335 O VAL A 25 -8.630 -9.991 -1.237 1.00 0.00 O ATOM 336 CB VAL A 25 -8.290 -11.665 1.627 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.358 -12.259 2.685 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.862 -10.324 2.091 1.00 0.00 C ATOM 0 H VAL A 25 -6.478 -10.042 1.285 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.143 -12.494 0.053 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.122 -12.355 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.893 -12.351 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.021 -13.244 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.495 -11.606 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.366 -10.455 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.053 -9.602 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.576 -9.958 1.353 1.00 0.00 H new ATOM 348 N GLN A 26 -9.180 -12.179 -1.389 1.00 0.00 N ATOM 349 CA GLN A 26 -10.114 -11.983 -2.485 1.00 0.00 C ATOM 350 C GLN A 26 -11.172 -10.948 -2.101 1.00 0.00 C ATOM 351 O GLN A 26 -11.844 -10.391 -2.968 1.00 0.00 O ATOM 352 CB GLN A 26 -10.764 -13.306 -2.894 1.00 0.00 C ATOM 353 CG GLN A 26 -10.220 -13.791 -4.240 1.00 0.00 C ATOM 354 CD GLN A 26 -10.940 -15.061 -4.697 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.153 -15.109 -4.815 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.127 -16.084 -4.947 1.00 0.00 N ATOM 0 H GLN A 26 -9.087 -13.145 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.561 -11.607 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.576 -14.059 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.845 -13.180 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.344 -13.009 -4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.151 -13.985 -4.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.120 -15.976 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.511 -16.976 -5.258 1.00 0.00 H new ATOM 365 N ASN A 27 -11.288 -10.721 -0.801 1.00 0.00 N ATOM 366 CA ASN A 27 -12.254 -9.762 -0.292 1.00 0.00 C ATOM 367 C ASN A 27 -11.587 -8.890 0.775 1.00 0.00 C ATOM 368 O ASN A 27 -11.978 -8.922 1.941 1.00 0.00 O ATOM 369 CB ASN A 27 -13.446 -10.470 0.354 1.00 0.00 C ATOM 370 CG ASN A 27 -12.982 -11.633 1.234 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.062 -12.822 0.645 1.00 0.00 O flip ATOM 372 ND2 ASN A 27 -12.578 -11.461 2.372 1.00 0.00 N flip ATOM 0 H ASN A 27 -10.729 -11.185 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.604 -9.159 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.014 -9.759 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.117 -10.841 -0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.542 -10.520 2.764 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.276 -12.258 2.932 1.00 0.00 H new ATOM 379 N ALA A 28 -10.593 -8.132 0.337 1.00 0.00 N ATOM 380 CA ALA A 28 -9.868 -7.253 1.239 1.00 0.00 C ATOM 381 C ALA A 28 -10.540 -5.879 1.254 1.00 0.00 C ATOM 382 O ALA A 28 -11.486 -5.638 0.506 1.00 0.00 O ATOM 383 CB ALA A 28 -8.401 -7.181 0.813 1.00 0.00 C ATOM 0 H ALA A 28 -10.272 -8.108 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.892 -7.643 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.858 -6.522 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.963 -8.178 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.336 -6.792 -0.203 1.00 0.00 H new ATOM 389 N THR A 29 -10.025 -5.013 2.115 1.00 0.00 N ATOM 390 CA THR A 29 -10.563 -3.669 2.237 1.00 0.00 C ATOM 391 C THR A 29 -9.439 -2.635 2.149 1.00 0.00 C ATOM 392 O THR A 29 -8.280 -2.988 1.937 1.00 0.00 O ATOM 393 CB THR A 29 -11.356 -3.594 3.543 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.363 -3.703 4.560 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.246 -4.820 3.759 1.00 0.00 C ATOM 0 H THR A 29 -9.241 -5.216 2.735 1.00 0.00 H new ATOM 0 HA THR A 29 -11.240 -3.438 1.415 1.00 0.00 H new ATOM 0 HB THR A 29 -11.971 -2.694 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.791 -3.662 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.787 -4.716 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.959 -4.902 2.938 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.628 -5.717 3.793 1.00 0.00 H new ATOM 403 N VAL A 30 -9.821 -1.377 2.316 1.00 0.00 N ATOM 404 CA VAL A 30 -8.860 -0.289 2.258 1.00 0.00 C ATOM 405 C VAL A 30 -7.782 -0.509 3.321 1.00 0.00 C ATOM 406 O VAL A 30 -6.597 -0.304 3.061 1.00 0.00 O ATOM 407 CB VAL A 30 -9.579 1.053 2.406 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.593 2.219 2.298 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.703 1.189 1.376 1.00 0.00 C ATOM 0 H VAL A 30 -10.783 -1.087 2.491 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.362 -0.271 1.288 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.028 1.085 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.130 3.161 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.844 2.136 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.102 2.191 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.198 2.152 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.285 1.125 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.427 0.387 1.520 1.00 0.00 H new ATOM 419 N LEU A 31 -8.231 -0.924 4.497 1.00 0.00 N ATOM 420 CA LEU A 31 -7.319 -1.174 5.600 1.00 0.00 C ATOM 421 C LEU A 31 -6.290 -2.224 5.177 1.00 0.00 C ATOM 422 O LEU A 31 -5.098 -1.930 5.089 1.00 0.00 O ATOM 423 CB LEU A 31 -8.097 -1.549 6.863 1.00 0.00 C ATOM 424 CG LEU A 31 -7.324 -1.455 8.180 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.462 -0.191 8.220 1.00 0.00 C ATOM 426 CD2 LEU A 31 -8.270 -1.542 9.379 1.00 0.00 C ATOM 0 H LEU A 31 -9.214 -1.093 4.710 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.766 -0.269 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.972 -0.903 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.462 -2.570 6.751 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.648 -2.308 8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.923 -0.148 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.748 -0.211 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.100 0.688 8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.695 -1.473 10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.988 -0.723 9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.803 -2.493 9.354 1.00 0.00 H new ATOM 438 N ASP A 32 -6.786 -3.426 4.927 1.00 0.00 N ATOM 439 CA ASP A 32 -5.924 -4.521 4.515 1.00 0.00 C ATOM 440 C ASP A 32 -4.875 -3.997 3.533 1.00 0.00 C ATOM 441 O ASP A 32 -3.676 -4.165 3.752 1.00 0.00 O ATOM 442 CB ASP A 32 -6.725 -5.618 3.811 1.00 0.00 C ATOM 443 CG ASP A 32 -7.884 -6.197 4.626 1.00 0.00 C ATOM 444 OD1 ASP A 32 -7.798 -6.117 5.870 1.00 0.00 O ATOM 445 OD2 ASP A 32 -8.828 -6.708 3.986 1.00 0.00 O ATOM 0 H ASP A 32 -7.774 -3.666 5.002 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.454 -4.934 5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.121 -5.216 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.047 -6.429 3.546 1.00 0.00 H new ATOM 450 N LEU A 33 -5.364 -3.373 2.471 1.00 0.00 N ATOM 451 CA LEU A 33 -4.483 -2.823 1.455 1.00 0.00 C ATOM 452 C LEU A 33 -3.272 -2.178 2.130 1.00 0.00 C ATOM 453 O LEU A 33 -2.132 -2.556 1.862 1.00 0.00 O ATOM 454 CB LEU A 33 -5.254 -1.873 0.536 1.00 0.00 C ATOM 455 CG LEU A 33 -4.844 -1.886 -0.938 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.513 -1.161 -1.144 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.808 -3.315 -1.484 1.00 0.00 C ATOM 0 H LEU A 33 -6.359 -3.236 2.292 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.103 -3.616 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.314 -2.118 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.138 -0.858 0.916 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.598 -1.342 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.245 -1.185 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.608 -0.125 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.736 -1.655 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.514 -3.296 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.088 -3.904 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.797 -3.765 -1.392 1.00 0.00 H new ATOM 469 N LYS A 34 -3.559 -1.216 2.994 1.00 0.00 N ATOM 470 CA LYS A 34 -2.507 -0.514 3.710 1.00 0.00 C ATOM 471 C LYS A 34 -1.586 -1.535 4.382 1.00 0.00 C ATOM 472 O LYS A 34 -0.395 -1.595 4.080 1.00 0.00 O ATOM 473 CB LYS A 34 -3.107 0.505 4.681 1.00 0.00 C ATOM 474 CG LYS A 34 -3.583 1.755 3.938 1.00 0.00 C ATOM 475 CD LYS A 34 -5.105 1.887 4.005 1.00 0.00 C ATOM 476 CE LYS A 34 -5.516 3.302 4.418 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.599 4.184 3.233 1.00 0.00 N ATOM 0 H LYS A 34 -4.505 -0.906 3.215 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.894 0.063 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.943 0.055 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.363 0.783 5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.118 2.640 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.264 1.707 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.537 1.648 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.505 1.166 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.480 3.273 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.794 3.704 5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.879 5.140 3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.671 4.225 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.305 3.808 2.569 1.00 0.00 H new ATOM 491 N LYS A 35 -2.172 -2.312 5.281 1.00 0.00 N ATOM 492 CA LYS A 35 -1.419 -3.327 5.998 1.00 0.00 C ATOM 493 C LYS A 35 -0.466 -4.028 5.029 1.00 0.00 C ATOM 494 O LYS A 35 0.734 -4.115 5.286 1.00 0.00 O ATOM 495 CB LYS A 35 -2.366 -4.281 6.728 1.00 0.00 C ATOM 496 CG LYS A 35 -2.891 -3.651 8.020 1.00 0.00 C ATOM 497 CD LYS A 35 -4.400 -3.411 7.939 1.00 0.00 C ATOM 498 CE LYS A 35 -5.175 -4.714 8.144 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.230 -5.063 9.582 1.00 0.00 N ATOM 0 H LYS A 35 -3.160 -2.259 5.529 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.805 -2.869 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.203 -4.537 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.845 -5.211 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.668 -4.304 8.864 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.378 -2.707 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.697 -2.684 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.652 -2.983 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.186 -4.609 7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.698 -5.520 7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.870 -5.871 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.278 -5.316 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.581 -4.248 10.124 1.00 0.00 H new ATOM 513 N ALA A 36 -1.035 -4.511 3.934 1.00 0.00 N ATOM 514 CA ALA A 36 -0.251 -5.202 2.925 1.00 0.00 C ATOM 515 C ALA A 36 0.921 -4.315 2.500 1.00 0.00 C ATOM 516 O ALA A 36 2.076 -4.632 2.777 1.00 0.00 O ATOM 517 CB ALA A 36 -1.153 -5.582 1.749 1.00 0.00 C ATOM 0 H ALA A 36 -2.030 -4.437 3.724 1.00 0.00 H new ATOM 0 HA ALA A 36 0.165 -6.126 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.565 -6.100 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.951 -6.236 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.587 -4.680 1.317 1.00 0.00 H new ATOM 523 N ILE A 37 0.581 -3.221 1.834 1.00 0.00 N ATOM 524 CA ILE A 37 1.591 -2.286 1.367 1.00 0.00 C ATOM 525 C ILE A 37 2.676 -2.139 2.435 1.00 0.00 C ATOM 526 O ILE A 37 3.848 -1.948 2.112 1.00 0.00 O ATOM 527 CB ILE A 37 0.945 -0.960 0.961 1.00 0.00 C ATOM 528 CG1 ILE A 37 -0.007 -1.153 -0.222 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.008 0.102 0.673 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.739 0.149 -0.554 1.00 0.00 C ATOM 0 H ILE A 37 -0.379 -2.961 1.607 1.00 0.00 H new ATOM 0 HA ILE A 37 2.077 -2.667 0.469 1.00 0.00 H new ATOM 0 HB ILE A 37 0.348 -0.600 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.554 -1.492 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.732 -1.932 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.522 1.035 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.610 0.266 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.650 -0.237 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.409 -0.015 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.318 0.472 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.012 0.919 -0.812 1.00 0.00 H new ATOM 542 N GLN A 38 2.249 -2.235 3.685 1.00 0.00 N ATOM 543 CA GLN A 38 3.170 -2.115 4.803 1.00 0.00 C ATOM 544 C GLN A 38 3.979 -3.404 4.964 1.00 0.00 C ATOM 545 O GLN A 38 5.209 -3.376 4.940 1.00 0.00 O ATOM 546 CB GLN A 38 2.424 -1.771 6.094 1.00 0.00 C ATOM 547 CG GLN A 38 2.366 -0.257 6.306 1.00 0.00 C ATOM 548 CD GLN A 38 1.191 0.125 7.210 1.00 0.00 C ATOM 549 OE1 GLN A 38 0.079 0.350 6.763 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.500 0.184 8.502 1.00 0.00 N ATOM 0 H GLN A 38 1.277 -2.395 3.949 1.00 0.00 H new ATOM 0 HA GLN A 38 3.861 -1.299 4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.413 -2.175 6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.921 -2.242 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.299 0.088 6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.268 0.245 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.452 -0.017 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.785 0.430 9.187 1.00 0.00 H new ATOM 559 N ARG A 39 3.256 -4.503 5.123 1.00 0.00 N ATOM 560 CA ARG A 39 3.892 -5.799 5.288 1.00 0.00 C ATOM 561 C ARG A 39 4.754 -6.126 4.067 1.00 0.00 C ATOM 562 O ARG A 39 5.576 -7.041 4.110 1.00 0.00 O ATOM 563 CB ARG A 39 2.850 -6.903 5.478 1.00 0.00 C ATOM 564 CG ARG A 39 2.518 -7.095 6.960 1.00 0.00 C ATOM 565 CD ARG A 39 1.300 -6.261 7.361 1.00 0.00 C ATOM 566 NE ARG A 39 0.845 -6.650 8.715 1.00 0.00 N ATOM 567 CZ ARG A 39 0.238 -7.810 8.999 1.00 0.00 C ATOM 568 NH1 ARG A 39 0.010 -8.703 8.026 1.00 0.00 N ATOM 569 NH2 ARG A 39 -0.141 -8.078 10.256 1.00 0.00 N ATOM 0 H ARG A 39 2.236 -4.523 5.141 1.00 0.00 H new ATOM 0 HA ARG A 39 4.520 -5.750 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.943 -6.651 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.225 -7.838 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.323 -8.149 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.376 -6.809 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.553 -5.201 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.495 -6.408 6.641 1.00 0.00 H new ATOM 0 HE ARG A 39 1.004 -5.994 9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.299 -8.499 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.452 -9.586 8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.033 -7.399 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.603 -8.961 10.472 1.00 0.00 H new ATOM 583 N TYR A 40 4.538 -5.361 3.007 1.00 0.00 N ATOM 584 CA TYR A 40 5.285 -5.558 1.777 1.00 0.00 C ATOM 585 C TYR A 40 6.697 -4.980 1.894 1.00 0.00 C ATOM 586 O TYR A 40 7.675 -5.648 1.561 1.00 0.00 O ATOM 587 CB TYR A 40 4.522 -4.794 0.693 1.00 0.00 C ATOM 588 CG TYR A 40 5.196 -4.824 -0.680 1.00 0.00 C ATOM 589 CD1 TYR A 40 5.108 -5.954 -1.467 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.891 -3.721 -1.132 1.00 0.00 C ATOM 591 CE1 TYR A 40 5.742 -5.982 -2.760 1.00 0.00 C ATOM 592 CE2 TYR A 40 6.525 -3.749 -2.425 1.00 0.00 C ATOM 593 CZ TYR A 40 6.419 -4.878 -3.175 1.00 0.00 C ATOM 594 OH TYR A 40 7.018 -4.905 -4.396 1.00 0.00 O ATOM 0 H TYR A 40 3.856 -4.603 2.975 1.00 0.00 H new ATOM 0 HA TYR A 40 5.380 -6.620 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.520 -5.214 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.406 -3.757 1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.564 -6.817 -1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.960 -2.836 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.681 -6.860 -3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.072 -2.893 -2.790 1.00 0.00 H new ATOM 0 HH TYR A 40 7.464 -4.048 -4.561 1.00 0.00 H new ATOM 604 N VAL A 41 6.758 -3.744 2.369 1.00 0.00 N ATOM 605 CA VAL A 41 8.034 -3.069 2.534 1.00 0.00 C ATOM 606 C VAL A 41 8.615 -3.414 3.907 1.00 0.00 C ATOM 607 O VAL A 41 9.785 -3.776 4.016 1.00 0.00 O ATOM 608 CB VAL A 41 7.860 -1.564 2.320 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.194 -0.830 2.477 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.232 -1.273 0.955 1.00 0.00 C ATOM 0 H VAL A 41 5.945 -3.193 2.645 1.00 0.00 H new ATOM 0 HA VAL A 41 8.747 -3.411 1.784 1.00 0.00 H new ATOM 0 HB VAL A 41 7.181 -1.193 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.042 0.238 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.585 -0.997 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.906 -1.207 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.119 -0.196 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.875 -1.666 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.254 -1.750 0.896 1.00 0.00 H new ATOM 620 N GLN A 42 7.770 -3.289 4.920 1.00 0.00 N ATOM 621 CA GLN A 42 8.185 -3.584 6.281 1.00 0.00 C ATOM 622 C GLN A 42 8.940 -4.914 6.330 1.00 0.00 C ATOM 623 O GLN A 42 10.100 -4.958 6.737 1.00 0.00 O ATOM 624 CB GLN A 42 6.984 -3.599 7.229 1.00 0.00 C ATOM 625 CG GLN A 42 7.392 -3.163 8.638 1.00 0.00 C ATOM 626 CD GLN A 42 6.175 -3.085 9.561 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.693 -2.019 9.907 1.00 0.00 O ATOM 628 NE2 GLN A 42 5.706 -4.270 9.940 1.00 0.00 N ATOM 0 H GLN A 42 6.800 -2.988 4.826 1.00 0.00 H new ATOM 0 HA GLN A 42 8.859 -2.795 6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.208 -2.934 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.556 -4.601 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.117 -3.868 9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.883 -2.191 8.594 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.157 -5.125 9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.896 -4.324 10.557 1.00 0.00 H new ATOM 637 N LEU A 43 8.251 -5.964 5.909 1.00 0.00 N ATOM 638 CA LEU A 43 8.842 -7.292 5.900 1.00 0.00 C ATOM 639 C LEU A 43 10.116 -7.272 5.053 1.00 0.00 C ATOM 640 O LEU A 43 11.113 -7.896 5.412 1.00 0.00 O ATOM 641 CB LEU A 43 7.816 -8.331 5.444 1.00 0.00 C ATOM 642 CG LEU A 43 7.855 -8.707 3.961 1.00 0.00 C ATOM 643 CD1 LEU A 43 9.126 -9.490 3.627 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.590 -9.466 3.555 1.00 0.00 C ATOM 0 H LEU A 43 7.289 -5.923 5.572 1.00 0.00 H new ATOM 0 HA LEU A 43 9.134 -7.587 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.960 -9.237 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.820 -7.955 5.677 1.00 0.00 H new ATOM 0 HG LEU A 43 7.881 -7.788 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.128 -9.745 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.000 -8.880 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.157 -10.404 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.643 -9.721 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.508 -10.379 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.716 -8.839 3.734 1.00 0.00 H new ATOM 656 N LYS A 44 10.040 -6.550 3.945 1.00 0.00 N ATOM 657 CA LYS A 44 11.175 -6.441 3.044 1.00 0.00 C ATOM 658 C LYS A 44 12.416 -6.035 3.841 1.00 0.00 C ATOM 659 O LYS A 44 13.318 -6.845 4.049 1.00 0.00 O ATOM 660 CB LYS A 44 10.851 -5.495 1.886 1.00 0.00 C ATOM 661 CG LYS A 44 11.172 -6.147 0.539 1.00 0.00 C ATOM 662 CD LYS A 44 10.406 -5.466 -0.596 1.00 0.00 C ATOM 663 CE LYS A 44 11.287 -5.312 -1.837 1.00 0.00 C ATOM 664 NZ LYS A 44 11.169 -6.503 -2.708 1.00 0.00 N ATOM 0 H LYS A 44 9.210 -6.035 3.651 1.00 0.00 H new ATOM 0 HA LYS A 44 11.392 -7.406 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.796 -5.221 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.423 -4.573 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.243 -6.086 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.914 -7.206 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.521 -6.051 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.059 -4.486 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.994 -4.420 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.326 -5.175 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.773 -6.382 -3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.471 -7.348 -2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.180 -6.617 -3.008 1.00 0.00 H new ATOM 678 N GLN A 45 12.423 -4.780 4.266 1.00 0.00 N ATOM 679 CA GLN A 45 13.539 -4.256 5.036 1.00 0.00 C ATOM 680 C GLN A 45 13.955 -5.257 6.116 1.00 0.00 C ATOM 681 O GLN A 45 15.135 -5.573 6.252 1.00 0.00 O ATOM 682 CB GLN A 45 13.192 -2.898 5.650 1.00 0.00 C ATOM 683 CG GLN A 45 13.049 -1.827 4.567 1.00 0.00 C ATOM 684 CD GLN A 45 12.636 -0.485 5.175 1.00 0.00 C ATOM 685 OE1 GLN A 45 12.404 -0.359 6.367 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.557 0.507 4.293 1.00 0.00 N ATOM 0 H GLN A 45 11.674 -4.110 4.092 1.00 0.00 H new ATOM 0 HA GLN A 45 14.383 -4.107 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.262 -2.977 6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.969 -2.605 6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.994 -1.714 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.306 -2.142 3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.765 0.333 3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.289 1.442 4.600 1.00 0.00 H new ATOM 695 N GLU A 46 12.961 -5.727 6.855 1.00 0.00 N ATOM 696 CA GLU A 46 13.209 -6.686 7.919 1.00 0.00 C ATOM 697 C GLU A 46 14.287 -7.684 7.493 1.00 0.00 C ATOM 698 O GLU A 46 15.222 -7.953 8.247 1.00 0.00 O ATOM 699 CB GLU A 46 11.921 -7.407 8.318 1.00 0.00 C ATOM 700 CG GLU A 46 11.623 -7.216 9.807 1.00 0.00 C ATOM 701 CD GLU A 46 11.989 -8.469 10.605 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.632 -9.568 10.130 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.618 -8.299 11.672 1.00 0.00 O ATOM 0 H GLU A 46 11.983 -5.462 6.738 1.00 0.00 H new ATOM 0 HA GLU A 46 13.569 -6.144 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.089 -7.027 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.011 -8.470 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.184 -6.362 10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.566 -6.990 9.944 1.00 0.00 H new ATOM 832 N SER A 55 8.048 5.614 9.218 1.00 0.00 N ATOM 833 CA SER A 55 7.196 6.782 9.364 1.00 0.00 C ATOM 834 C SER A 55 5.919 6.604 8.541 1.00 0.00 C ATOM 835 O SER A 55 5.435 7.554 7.926 1.00 0.00 O ATOM 836 CB SER A 55 7.930 8.055 8.937 1.00 0.00 C ATOM 837 OG SER A 55 7.935 8.219 7.522 1.00 0.00 O ATOM 0 HA SER A 55 6.931 6.883 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.455 8.920 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.957 8.021 9.302 1.00 0.00 H new ATOM 0 HG SER A 55 7.022 8.386 7.209 1.00 0.00 H new ATOM 843 N TRP A 56 5.408 5.382 8.556 1.00 0.00 N ATOM 844 CA TRP A 56 4.196 5.068 7.818 1.00 0.00 C ATOM 845 C TRP A 56 3.103 6.037 8.271 1.00 0.00 C ATOM 846 O TRP A 56 2.253 6.436 7.476 1.00 0.00 O ATOM 847 CB TRP A 56 3.807 3.600 8.002 1.00 0.00 C ATOM 848 CG TRP A 56 4.569 2.635 7.090 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.313 1.579 7.445 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.630 2.682 5.649 1.00 0.00 C ATOM 851 NE1 TRP A 56 5.847 0.944 6.342 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.419 1.636 5.215 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.038 3.578 4.742 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.688 1.388 3.864 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.317 3.317 3.395 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.109 2.268 2.942 1.00 0.00 C ATOM 0 H TRP A 56 5.811 4.597 9.068 1.00 0.00 H new ATOM 0 HA TRP A 56 4.352 5.195 6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.980 3.316 9.040 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.738 3.492 7.816 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.475 1.264 8.465 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.446 0.118 6.352 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.417 4.403 5.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.309 0.562 3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.887 3.977 2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.277 2.133 1.884 1.00 0.00 H new ATOM 867 N SER A 57 3.160 6.389 9.547 1.00 0.00 N ATOM 868 CA SER A 57 2.184 7.304 10.116 1.00 0.00 C ATOM 869 C SER A 57 2.063 8.551 9.238 1.00 0.00 C ATOM 870 O SER A 57 0.974 8.883 8.771 1.00 0.00 O ATOM 871 CB SER A 57 2.565 7.696 11.545 1.00 0.00 C ATOM 872 OG SER A 57 2.382 6.619 12.460 1.00 0.00 O ATOM 0 H SER A 57 3.867 6.057 10.203 1.00 0.00 H new ATOM 0 HA SER A 57 1.220 6.797 10.152 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.606 8.018 11.567 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.961 8.547 11.861 1.00 0.00 H new ATOM 0 HG SER A 57 2.638 6.908 13.361 1.00 0.00 H new ATOM 878 N TYR A 58 3.197 9.208 9.038 1.00 0.00 N ATOM 879 CA TYR A 58 3.231 10.411 8.224 1.00 0.00 C ATOM 880 C TYR A 58 2.701 10.135 6.816 1.00 0.00 C ATOM 881 O TYR A 58 1.853 10.871 6.312 1.00 0.00 O ATOM 882 CB TYR A 58 4.704 10.816 8.132 1.00 0.00 C ATOM 883 CG TYR A 58 4.949 12.093 7.326 1.00 0.00 C ATOM 884 CD1 TYR A 58 5.031 12.035 5.950 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.088 13.303 7.976 1.00 0.00 C ATOM 886 CE1 TYR A 58 5.262 13.237 5.191 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.318 14.505 7.217 1.00 0.00 C ATOM 888 CZ TYR A 58 5.394 14.412 5.862 1.00 0.00 C ATOM 889 OH TYR A 58 5.612 15.548 5.145 1.00 0.00 O ATOM 0 H TYR A 58 4.098 8.930 9.426 1.00 0.00 H new ATOM 0 HA TYR A 58 2.610 11.191 8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.096 10.954 9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.267 10.000 7.680 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.922 11.088 5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.024 13.348 9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.329 13.206 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.428 15.458 7.712 1.00 0.00 H new ATOM 0 HH TYR A 58 5.685 16.311 5.755 1.00 0.00 H new ATOM 899 N VAL A 59 3.224 9.074 6.219 1.00 0.00 N ATOM 900 CA VAL A 59 2.814 8.692 4.878 1.00 0.00 C ATOM 901 C VAL A 59 1.288 8.588 4.826 1.00 0.00 C ATOM 902 O VAL A 59 0.635 9.347 4.112 1.00 0.00 O ATOM 903 CB VAL A 59 3.516 7.397 4.465 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.727 6.669 3.375 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.952 7.671 4.013 1.00 0.00 C ATOM 0 H VAL A 59 3.928 8.467 6.639 1.00 0.00 H new ATOM 0 HA VAL A 59 3.113 9.452 4.156 1.00 0.00 H new ATOM 0 HB VAL A 59 3.559 6.746 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.248 5.752 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.733 6.424 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.638 7.312 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.428 6.734 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.942 8.350 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.511 8.125 4.831 1.00 0.00 H new ATOM 915 N TRP A 60 0.765 7.641 5.591 1.00 0.00 N ATOM 916 CA TRP A 60 -0.671 7.428 5.641 1.00 0.00 C ATOM 917 C TRP A 60 -1.329 8.740 6.072 1.00 0.00 C ATOM 918 O TRP A 60 -2.485 8.998 5.739 1.00 0.00 O ATOM 919 CB TRP A 60 -1.020 6.254 6.558 1.00 0.00 C ATOM 920 CG TRP A 60 -0.320 4.945 6.187 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.555 4.242 6.919 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.472 4.208 4.956 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.976 3.109 6.253 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.332 3.087 5.021 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.262 4.477 3.825 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.423 2.148 3.987 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.160 3.529 2.800 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.355 2.397 2.850 1.00 0.00 C ATOM 0 H TRP A 60 1.310 7.013 6.181 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.054 7.153 4.658 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.758 6.516 7.583 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.098 6.097 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.889 4.526 7.906 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.638 2.415 6.601 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.898 5.347 3.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.059 1.278 4.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.748 3.688 1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.330 1.712 2.015 1.00 0.00 H new ATOM 939 N ARG A 61 -0.565 9.534 6.808 1.00 0.00 N ATOM 940 CA ARG A 61 -1.060 10.813 7.288 1.00 0.00 C ATOM 941 C ARG A 61 -0.630 11.937 6.344 1.00 0.00 C ATOM 942 O ARG A 61 -0.349 13.051 6.785 1.00 0.00 O ATOM 943 CB ARG A 61 -0.538 11.112 8.695 1.00 0.00 C ATOM 944 CG ARG A 61 -1.171 12.387 9.256 1.00 0.00 C ATOM 945 CD ARG A 61 -0.105 13.440 9.562 1.00 0.00 C ATOM 946 NE ARG A 61 -0.565 14.772 9.110 1.00 0.00 N ATOM 947 CZ ARG A 61 -1.623 15.415 9.622 1.00 0.00 C ATOM 948 NH1 ARG A 61 -2.337 14.852 10.606 1.00 0.00 N ATOM 949 NH2 ARG A 61 -1.967 16.621 9.150 1.00 0.00 N ATOM 0 H ARG A 61 0.393 9.316 7.083 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.148 10.756 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.758 10.272 9.354 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.546 11.221 8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.887 12.787 8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.726 12.152 10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.101 13.461 10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.829 13.180 9.063 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.044 15.229 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.075 13.934 10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.143 15.341 10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.423 17.050 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.773 17.110 9.540 1.00 0.00 H new ATOM 963 N THR A 62 -0.593 11.607 5.061 1.00 0.00 N ATOM 964 CA THR A 62 -0.203 12.575 4.050 1.00 0.00 C ATOM 965 C THR A 62 -0.774 12.182 2.686 1.00 0.00 C ATOM 966 O THR A 62 -1.321 13.021 1.973 1.00 0.00 O ATOM 967 CB THR A 62 1.323 12.682 4.062 1.00 0.00 C ATOM 968 OG1 THR A 62 1.625 13.197 5.355 1.00 0.00 O ATOM 969 CG2 THR A 62 1.843 13.755 3.102 1.00 0.00 C ATOM 0 H THR A 62 -0.827 10.683 4.699 1.00 0.00 H new ATOM 0 HA THR A 62 -0.614 13.561 4.267 1.00 0.00 H new ATOM 0 HB THR A 62 1.756 11.718 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.819 13.597 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.931 13.789 3.150 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.532 13.515 2.085 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.437 14.726 3.387 1.00 0.00 H new ATOM 977 N TYR A 63 -0.628 10.905 2.365 1.00 0.00 N ATOM 978 CA TYR A 63 -1.122 10.390 1.100 1.00 0.00 C ATOM 979 C TYR A 63 -2.111 9.244 1.323 1.00 0.00 C ATOM 980 O TYR A 63 -1.984 8.488 2.285 1.00 0.00 O ATOM 981 CB TYR A 63 0.102 9.853 0.355 1.00 0.00 C ATOM 982 CG TYR A 63 1.135 10.926 0.002 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.918 11.766 -1.071 1.00 0.00 C ATOM 984 CD2 TYR A 63 2.283 11.053 0.757 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.889 12.775 -1.404 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.255 12.062 0.424 1.00 0.00 C ATOM 987 CZ TYR A 63 3.010 12.874 -0.639 1.00 0.00 C ATOM 988 OH TYR A 63 3.928 13.827 -0.954 1.00 0.00 O ATOM 0 H TYR A 63 -0.174 10.212 2.960 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.640 11.172 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.581 9.089 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.228 9.365 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.019 11.666 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.452 10.396 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.731 13.438 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.158 12.171 1.006 1.00 0.00 H new ATOM 0 HH TYR A 63 4.676 13.782 -0.322 1.00 0.00 H new ATOM 998 N HIS A 64 -3.074 9.150 0.417 1.00 0.00 N ATOM 999 CA HIS A 64 -4.083 8.109 0.503 1.00 0.00 C ATOM 1000 C HIS A 64 -4.010 7.219 -0.739 1.00 0.00 C ATOM 1001 O HIS A 64 -3.235 7.489 -1.655 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.472 8.715 0.717 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.764 9.090 2.151 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -5.844 8.156 3.169 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.993 10.306 2.725 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.111 8.792 4.300 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.203 10.124 4.023 1.00 0.00 N ATOM 0 H HIS A 64 -3.176 9.778 -0.380 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.887 7.479 1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.570 9.603 0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.224 8.003 0.378 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.719 7.149 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.002 11.256 2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.234 8.336 5.271 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.828 6.177 -0.730 1.00 0.00 N ATOM 1016 CA LEU A 65 -4.866 5.246 -1.845 1.00 0.00 C ATOM 1017 C LEU A 65 -6.057 5.582 -2.744 1.00 0.00 C ATOM 1018 O LEU A 65 -7.171 5.774 -2.259 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.866 3.802 -1.338 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.747 3.435 -0.360 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.966 2.037 0.223 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.374 3.572 -1.021 1.00 0.00 C ATOM 0 H LEU A 65 -5.470 5.957 0.032 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.968 5.345 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.823 3.608 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.803 3.136 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.775 4.139 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.157 1.800 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.917 2.009 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.979 1.304 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.597 3.305 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.317 2.907 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.229 4.602 -1.348 1.00 0.00 H new ATOM 1034 N THR A 66 -5.782 5.641 -4.039 1.00 0.00 N ATOM 1035 CA THR A 66 -6.817 5.950 -5.011 1.00 0.00 C ATOM 1036 C THR A 66 -6.930 4.828 -6.045 1.00 0.00 C ATOM 1037 O THR A 66 -6.084 3.936 -6.093 1.00 0.00 O ATOM 1038 CB THR A 66 -6.496 7.314 -5.626 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.327 7.377 -6.782 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.074 7.383 -6.186 1.00 0.00 C ATOM 0 H THR A 66 -4.857 5.480 -4.438 1.00 0.00 H new ATOM 0 HA THR A 66 -7.797 6.013 -4.539 1.00 0.00 H new ATOM 0 HB THR A 66 -6.628 8.092 -4.874 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.184 8.231 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.898 8.371 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.358 7.199 -5.385 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.952 6.628 -6.962 1.00 0.00 H new ATOM 1048 N SER A 67 -7.982 4.910 -6.846 1.00 0.00 N ATOM 1049 CA SER A 67 -8.217 3.912 -7.876 1.00 0.00 C ATOM 1050 C SER A 67 -9.466 4.275 -8.681 1.00 0.00 C ATOM 1051 O SER A 67 -10.503 4.607 -8.109 1.00 0.00 O ATOM 1052 CB SER A 67 -8.365 2.516 -7.268 1.00 0.00 C ATOM 1053 OG SER A 67 -9.262 1.700 -8.016 1.00 0.00 O ATOM 0 H SER A 67 -8.681 5.652 -6.803 1.00 0.00 H new ATOM 0 HA SER A 67 -7.354 3.899 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.388 2.034 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.724 2.603 -6.243 1.00 0.00 H new ATOM 0 HG SER A 67 -8.839 0.836 -8.205 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.326 4.201 -9.997 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.430 4.517 -10.886 1.00 0.00 C ATOM 1061 C ALA A 68 -10.714 6.020 -10.825 1.00 0.00 C ATOM 1062 O ALA A 68 -10.547 6.728 -11.816 1.00 0.00 O ATOM 1063 CB ALA A 68 -11.650 3.677 -10.505 1.00 0.00 C ATOM 0 H ALA A 68 -8.464 3.927 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.175 4.271 -11.917 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.478 3.915 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.405 2.619 -10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.938 3.898 -9.477 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.139 6.461 -9.650 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.448 7.866 -9.446 1.00 0.00 C ATOM 1071 C GLY A 69 -12.155 8.083 -8.107 1.00 0.00 C ATOM 1072 O GLY A 69 -13.084 8.885 -8.014 1.00 0.00 O ATOM 0 H GLY A 69 -11.277 5.870 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.529 8.452 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.081 8.224 -10.258 1.00 0.00 H new ATOM 1076 N GLU A 70 -11.689 7.355 -7.103 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.266 7.458 -5.773 1.00 0.00 C ATOM 1078 C GLU A 70 -11.173 7.334 -4.710 1.00 0.00 C ATOM 1079 O GLU A 70 -10.327 6.445 -4.784 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.355 6.404 -5.565 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.722 6.934 -6.003 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.845 6.307 -5.173 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.931 5.060 -5.186 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.591 7.089 -4.546 1.00 0.00 O ATOM 0 H GLU A 70 -10.919 6.691 -7.184 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.732 8.438 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.110 5.506 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.392 6.117 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.747 8.018 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.880 6.715 -7.059 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.227 8.240 -3.744 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.252 8.243 -2.666 1.00 0.00 C ATOM 1093 C LYS A 71 -10.523 7.060 -1.735 1.00 0.00 C ATOM 1094 O LYS A 71 -11.555 7.015 -1.067 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.245 9.598 -1.954 1.00 0.00 C ATOM 1096 CG LYS A 71 -9.898 10.727 -2.926 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.539 12.009 -2.172 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.642 12.911 -3.022 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.457 14.224 -2.365 1.00 0.00 N ATOM 0 H LYS A 71 -11.930 8.977 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.245 8.112 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.223 9.784 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.522 9.580 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.061 10.425 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.744 10.915 -3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.450 12.545 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.031 11.758 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.674 12.433 -3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.086 13.050 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.846 14.824 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.381 14.685 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.014 14.087 -1.434 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.579 6.131 -1.721 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.703 4.950 -0.883 1.00 0.00 C ATOM 1115 C LEU A 72 -9.356 5.317 0.561 1.00 0.00 C ATOM 1116 O LEU A 72 -8.205 5.194 0.977 1.00 0.00 O ATOM 1117 CB LEU A 72 -8.862 3.803 -1.445 1.00 0.00 C ATOM 1118 CG LEU A 72 -8.930 3.601 -2.960 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.887 2.582 -3.425 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.344 3.216 -3.399 1.00 0.00 C ATOM 0 H LEU A 72 -8.725 6.172 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.732 4.589 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.822 3.972 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.175 2.878 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.691 4.549 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.957 2.457 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.890 2.937 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.070 1.625 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.365 3.078 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.637 2.287 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.040 4.008 -3.121 1.00 0.00 H new ATOM 1132 N THR A 73 -10.373 5.760 1.286 1.00 0.00 N ATOM 1133 CA THR A 73 -10.190 6.145 2.675 1.00 0.00 C ATOM 1134 C THR A 73 -10.971 5.207 3.597 1.00 0.00 C ATOM 1135 O THR A 73 -10.412 4.647 4.538 1.00 0.00 O ATOM 1136 CB THR A 73 -10.597 7.613 2.816 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.018 7.591 2.714 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.151 8.462 1.624 1.00 0.00 C ATOM 0 H THR A 73 -11.326 5.861 0.937 1.00 0.00 H new ATOM 0 HA THR A 73 -9.147 6.051 2.977 1.00 0.00 H new ATOM 0 HB THR A 73 -10.170 8.021 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.366 8.503 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.465 9.495 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.065 8.422 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.604 8.075 0.712 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.253 5.064 3.293 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.117 4.202 4.082 1.00 0.00 C ATOM 1148 C GLU A 74 -12.451 2.843 4.306 1.00 0.00 C ATOM 1149 O GLU A 74 -12.076 2.167 3.349 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.485 4.040 3.416 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.604 4.533 4.336 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.648 5.330 3.551 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.989 4.876 2.437 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.082 6.375 4.082 1.00 0.00 O ATOM 0 H GLU A 74 -12.714 5.530 2.512 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.276 4.670 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.506 4.598 2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.650 2.992 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.081 3.682 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.183 5.156 5.125 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.325 2.483 5.574 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.711 1.217 5.936 1.00 0.00 C ATOM 1163 C ASP A 75 -12.789 0.132 5.999 1.00 0.00 C ATOM 1164 O ASP A 75 -12.578 -0.986 5.532 1.00 0.00 O ATOM 1165 CB ASP A 75 -11.043 1.300 7.309 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.732 2.719 7.792 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -10.169 3.484 6.980 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.065 3.006 8.962 1.00 0.00 O ATOM 0 H ASP A 75 -12.638 3.046 6.365 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.959 0.980 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.690 0.817 8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.114 0.731 7.280 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.920 0.501 6.582 1.00 0.00 N ATOM 1174 CA ARG A 76 -15.031 -0.427 6.713 1.00 0.00 C ATOM 1175 C ARG A 76 -15.465 -0.933 5.336 1.00 0.00 C ATOM 1176 O ARG A 76 -15.913 -2.071 5.202 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.224 0.237 7.405 1.00 0.00 C ATOM 1178 CG ARG A 76 -16.176 0.011 8.917 1.00 0.00 C ATOM 1179 CD ARG A 76 -17.295 -0.931 9.366 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.717 -2.148 9.978 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.436 -3.215 10.353 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -18.765 -3.221 10.180 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -16.827 -4.276 10.900 1.00 0.00 N ATOM 0 H ARG A 76 -14.091 1.429 6.969 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.693 -1.266 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.223 1.306 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.153 -0.167 7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.209 -0.408 9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.270 0.966 9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.941 -0.425 10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.917 -1.203 8.513 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.708 -2.177 10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.229 -2.414 9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.313 -4.033 10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.815 -4.272 11.031 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.375 -5.088 11.185 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.318 -0.063 4.348 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.690 -0.407 2.986 1.00 0.00 C ATOM 1199 C LYS A 77 -14.644 -1.359 2.402 1.00 0.00 C ATOM 1200 O LYS A 77 -13.462 -1.267 2.732 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.903 0.858 2.152 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.478 0.517 0.776 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.025 1.768 0.086 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.196 1.418 -0.835 1.00 0.00 C ATOM 1205 NZ LYS A 77 -18.979 2.631 -1.162 1.00 0.00 N ATOM 0 H LYS A 77 -14.946 0.880 4.463 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.644 -0.933 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.580 1.533 2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.956 1.384 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.704 0.064 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.273 -0.221 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.350 2.489 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.233 2.245 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.822 0.962 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.839 0.682 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.770 2.376 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.352 3.050 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.366 3.321 -1.642 1.00 0.00 H new ATOM 1219 N LYS A 78 -15.116 -2.252 1.545 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.237 -3.221 0.912 1.00 0.00 C ATOM 1221 C LYS A 78 -13.857 -2.722 -0.484 1.00 0.00 C ATOM 1222 O LYS A 78 -14.628 -2.007 -1.122 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.878 -4.610 0.916 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.337 -4.998 2.323 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.819 -5.381 2.330 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.082 -6.532 3.303 1.00 0.00 C ATOM 1227 NZ LYS A 78 -17.522 -7.740 2.570 1.00 0.00 N ATOM 0 H LYS A 78 -16.097 -2.325 1.274 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.311 -3.322 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.729 -4.624 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.163 -5.345 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.740 -5.834 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.170 -4.166 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.421 -4.517 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.128 -5.671 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.176 -6.752 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.845 -6.239 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.696 -8.512 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.398 -7.531 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.781 -8.028 1.899 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.670 -3.120 -0.917 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.179 -2.723 -2.225 1.00 0.00 C ATOM 1243 C LEU A 79 -13.197 -3.128 -3.292 1.00 0.00 C ATOM 1244 O LEU A 79 -13.411 -2.400 -4.260 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.778 -3.288 -2.466 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.779 -3.117 -1.319 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.388 -3.608 -1.725 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.754 -1.669 -0.825 1.00 0.00 C ATOM 0 H LEU A 79 -12.034 -3.714 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.074 -1.639 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.870 -4.352 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.364 -2.813 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.108 -3.736 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.698 -3.475 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.438 -4.664 -1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.036 -3.035 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.036 -1.575 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.463 -1.010 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.745 -1.389 -0.469 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.799 -4.290 -3.079 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.790 -4.801 -4.011 1.00 0.00 C ATOM 1262 C ARG A 80 -15.952 -3.815 -4.144 1.00 0.00 C ATOM 1263 O ARG A 80 -16.425 -3.552 -5.248 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.330 -6.157 -3.551 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.676 -7.043 -4.749 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.725 -8.091 -4.370 1.00 0.00 C ATOM 1267 NE ARG A 80 -18.077 -7.489 -4.402 1.00 0.00 N ATOM 1268 CZ ARG A 80 -19.200 -8.148 -4.085 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -19.140 -9.433 -3.712 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -20.383 -7.520 -4.142 1.00 0.00 N ATOM 0 H ARG A 80 -13.619 -4.891 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.303 -4.926 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.588 -6.656 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.217 -6.009 -2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.051 -6.426 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.776 -7.539 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.676 -8.933 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.516 -8.483 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.159 -6.512 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.239 -9.910 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.995 -9.934 -3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.428 -6.541 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -21.238 -8.021 -3.901 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.379 -3.295 -3.002 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.477 -2.344 -2.977 1.00 0.00 C ATOM 1286 C ASP A 81 -17.004 -1.011 -3.559 1.00 0.00 C ATOM 1287 O ASP A 81 -17.815 -0.130 -3.840 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.954 -2.092 -1.545 1.00 0.00 C ATOM 1289 CG ASP A 81 -19.091 -3.000 -1.073 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -18.774 -4.138 -0.662 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -20.250 -2.537 -1.133 1.00 0.00 O ATOM 0 H ASP A 81 -15.984 -3.515 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.297 -2.759 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.107 -2.214 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -18.280 -1.055 -1.464 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.694 -0.904 -3.724 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.103 0.307 -4.268 1.00 0.00 C ATOM 1298 C TYR A 82 -14.984 0.222 -5.791 1.00 0.00 C ATOM 1299 O TYR A 82 -14.630 1.202 -6.445 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.701 0.401 -3.663 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.512 1.585 -2.712 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.208 2.833 -3.217 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.646 1.405 -1.351 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.030 3.948 -2.323 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.468 2.520 -0.456 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.169 3.736 -0.987 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.001 4.789 -0.142 1.00 0.00 O ATOM 0 H TYR A 82 -15.024 -1.637 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.719 1.175 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.486 -0.522 -3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.972 0.476 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.104 2.973 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.884 0.428 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.792 4.930 -2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.570 2.393 0.612 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.622 5.546 -0.635 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.286 -0.958 -6.311 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.217 -1.184 -7.745 1.00 0.00 C ATOM 1319 C GLY A 83 -13.912 -1.884 -8.128 1.00 0.00 C ATOM 1320 O GLY A 83 -13.719 -2.256 -9.284 1.00 0.00 O ATOM 0 H GLY A 83 -15.579 -1.768 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.066 -1.790 -8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.291 -0.232 -8.271 1.00 0.00 H new ATOM 1324 N ILE A 84 -13.049 -2.042 -7.135 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.767 -2.691 -7.353 1.00 0.00 C ATOM 1326 C ILE A 84 -11.958 -4.209 -7.324 1.00 0.00 C ATOM 1327 O ILE A 84 -12.833 -4.715 -6.623 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.731 -2.182 -6.348 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.772 -0.656 -6.244 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.333 -2.696 -6.695 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.787 -0.152 -5.188 1.00 0.00 C ATOM 0 H ILE A 84 -13.212 -1.732 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.374 -2.437 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.985 -2.578 -5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.531 -0.215 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.781 -0.332 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.616 -2.320 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.331 -3.786 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.054 -2.349 -7.690 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.836 0.936 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.046 -0.575 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.776 -0.457 -5.459 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.124 -4.892 -8.094 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.189 -6.342 -8.166 1.00 0.00 C ATOM 1345 C ARG A 85 -9.783 -6.931 -8.297 1.00 0.00 C ATOM 1346 O ARG A 85 -8.794 -6.202 -8.243 1.00 0.00 O ATOM 1347 CB ARG A 85 -12.039 -6.797 -9.354 1.00 0.00 C ATOM 1348 CG ARG A 85 -11.807 -5.897 -10.570 1.00 0.00 C ATOM 1349 CD ARG A 85 -10.334 -5.899 -10.981 1.00 0.00 C ATOM 1350 NE ARG A 85 -10.157 -5.136 -12.237 1.00 0.00 N ATOM 1351 CZ ARG A 85 -10.451 -5.613 -13.454 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -10.937 -6.855 -13.587 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -10.259 -4.849 -14.538 1.00 0.00 N ATOM 0 H ARG A 85 -10.399 -4.468 -8.674 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.651 -6.699 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.793 -7.828 -9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.094 -6.779 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -12.421 -6.240 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.122 -4.879 -10.339 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.727 -5.459 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.987 -6.923 -11.116 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.788 -4.187 -12.172 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.083 -7.437 -12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.161 -7.219 -14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.889 -3.904 -14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.483 -5.213 -15.464 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.740 -8.244 -8.467 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.471 -8.939 -8.607 1.00 0.00 C ATOM 1369 C ASN A 86 -7.699 -8.349 -9.788 1.00 0.00 C ATOM 1370 O ASN A 86 -8.245 -8.202 -10.881 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.687 -10.429 -8.881 1.00 0.00 C ATOM 1372 CG ASN A 86 -7.372 -11.113 -9.260 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -6.298 -10.741 -8.815 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.515 -12.131 -10.104 1.00 0.00 N ATOM 0 H ASN A 86 -10.563 -8.845 -8.511 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.916 -8.820 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -9.108 -10.908 -7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.411 -10.553 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.696 -12.653 -10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.443 -12.390 -10.438 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.440 -8.026 -9.529 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.587 -7.455 -10.556 1.00 0.00 C ATOM 1383 C ARG A 87 -6.109 -6.079 -10.976 1.00 0.00 C ATOM 1384 O ARG A 87 -6.665 -5.928 -12.063 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.520 -8.364 -11.785 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.311 -9.298 -11.712 1.00 0.00 C ATOM 1387 CD ARG A 87 -4.183 -10.132 -12.988 1.00 0.00 C ATOM 1388 NE ARG A 87 -4.876 -11.428 -12.817 1.00 0.00 N ATOM 1389 CZ ARG A 87 -5.040 -12.327 -13.797 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -4.562 -12.076 -15.024 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -5.682 -13.478 -13.551 1.00 0.00 N ATOM 0 H ARG A 87 -5.991 -8.149 -8.622 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.586 -7.355 -10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.435 -8.953 -11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.460 -7.756 -12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.404 -8.713 -11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.409 -9.958 -10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.611 -9.590 -13.831 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.131 -10.300 -13.218 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.252 -11.651 -11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.073 -11.201 -15.212 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.687 -12.760 -15.770 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.046 -13.670 -12.618 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.807 -14.162 -14.297 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.912 -5.112 -10.092 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.356 -3.754 -10.358 1.00 0.00 C ATOM 1407 C ASP A 88 -5.152 -2.811 -10.314 1.00 0.00 C ATOM 1408 O ASP A 88 -4.016 -3.255 -10.160 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.361 -3.288 -9.302 1.00 0.00 C ATOM 1410 CG ASP A 88 -6.905 -3.464 -7.853 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -6.869 -4.632 -7.407 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -6.604 -2.428 -7.222 1.00 0.00 O ATOM 0 H ASP A 88 -5.451 -5.242 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.830 -3.739 -11.339 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.581 -2.234 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.293 -3.835 -9.443 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.443 -1.526 -10.452 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.399 -0.516 -10.431 1.00 0.00 C ATOM 1419 C GLU A 89 -4.741 0.580 -9.419 1.00 0.00 C ATOM 1420 O GLU A 89 -5.731 1.292 -9.581 1.00 0.00 O ATOM 1421 CB GLU A 89 -4.177 0.075 -11.825 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.358 -0.877 -12.699 1.00 0.00 C ATOM 1423 CD GLU A 89 -4.047 -1.116 -14.044 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -4.044 -0.169 -14.860 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -4.562 -2.241 -14.225 1.00 0.00 O ATOM 0 H GLU A 89 -6.387 -1.161 -10.579 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.468 -0.992 -10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.139 0.272 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.661 1.032 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.364 -0.461 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.224 -1.827 -12.181 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.903 0.682 -8.398 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.105 1.679 -7.361 1.00 0.00 C ATOM 1434 C VAL A 90 -2.891 2.609 -7.311 1.00 0.00 C ATOM 1435 O VAL A 90 -1.776 2.199 -7.630 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.387 0.992 -6.023 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.021 1.905 -4.850 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.847 0.544 -5.934 1.00 0.00 C ATOM 0 H VAL A 90 -3.083 0.090 -8.267 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.977 2.294 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.759 0.103 -5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.231 1.393 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.961 2.153 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.610 2.820 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.021 0.059 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.500 1.412 -6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.062 -0.158 -6.739 1.00 0.00 H new ATOM 1448 N SER A 91 -3.149 3.845 -6.907 1.00 0.00 N ATOM 1449 CA SER A 91 -2.091 4.836 -6.812 1.00 0.00 C ATOM 1450 C SER A 91 -2.235 5.631 -5.512 1.00 0.00 C ATOM 1451 O SER A 91 -3.271 5.566 -4.852 1.00 0.00 O ATOM 1452 CB SER A 91 -2.110 5.780 -8.016 1.00 0.00 C ATOM 1453 OG SER A 91 -3.304 5.645 -8.781 1.00 0.00 O ATOM 0 H SER A 91 -4.075 4.182 -6.642 1.00 0.00 H new ATOM 0 HA SER A 91 -1.134 4.315 -6.809 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.015 6.810 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.248 5.576 -8.651 1.00 0.00 H new ATOM 0 HG SER A 91 -3.279 6.265 -9.539 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.182 6.364 -5.184 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.178 7.171 -3.976 1.00 0.00 C ATOM 1461 C PHE A 92 -1.464 8.640 -4.296 1.00 0.00 C ATOM 1462 O PHE A 92 -0.802 9.233 -5.147 1.00 0.00 O ATOM 1463 CB PHE A 92 0.220 7.057 -3.366 1.00 0.00 C ATOM 1464 CG PHE A 92 0.298 6.123 -2.157 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.314 6.466 -0.992 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.978 4.949 -2.248 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.242 5.599 0.130 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.050 4.082 -1.125 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.438 4.425 0.040 1.00 0.00 C ATOM 0 H PHE A 92 -0.325 6.416 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.950 6.819 -3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.911 6.703 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.557 8.050 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.855 7.398 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.463 4.676 -3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.728 5.872 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.591 3.150 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.492 3.765 0.893 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.450 9.184 -3.598 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.831 10.572 -3.798 1.00 0.00 C ATOM 1481 C ILE A 93 -2.377 11.399 -2.593 1.00 0.00 C ATOM 1482 O ILE A 93 -2.017 10.845 -1.556 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.329 10.679 -4.089 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.654 11.987 -4.814 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.150 10.515 -2.808 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.799 11.791 -5.810 1.00 0.00 C ATOM 0 H ILE A 93 -2.997 8.689 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.330 10.983 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.607 9.863 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.926 12.752 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.768 12.346 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.211 10.595 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.949 9.538 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.876 11.295 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.010 12.735 -6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.514 11.043 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.690 11.455 -5.279 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.411 12.711 -2.771 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.008 13.620 -1.711 1.00 0.00 C ATOM 1500 C LYS A 94 -3.241 14.347 -1.171 1.00 0.00 C ATOM 1501 O LYS A 94 -4.074 14.821 -1.943 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.906 14.561 -2.203 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.162 15.196 -1.026 1.00 0.00 C ATOM 1504 CD LYS A 94 0.676 16.390 -1.487 1.00 0.00 C ATOM 1505 CE LYS A 94 1.904 16.577 -0.593 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.673 17.770 -1.011 1.00 0.00 N ATOM 0 H LYS A 94 -2.711 13.167 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.575 13.066 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.203 14.009 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.341 15.342 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.878 15.520 -0.271 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.483 14.454 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.993 16.239 -2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.068 17.294 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.592 16.684 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.538 15.692 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.503 17.882 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.987 17.653 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.071 18.615 -0.938 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.320 14.411 0.150 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.438 15.072 0.801 1.00 0.00 C ATOM 1522 C LYS A 95 -4.568 16.497 0.262 1.00 0.00 C ATOM 1523 O LYS A 95 -3.775 16.921 -0.579 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.290 15.001 2.322 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.304 13.550 2.808 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.125 13.409 4.091 1.00 0.00 C ATOM 1527 CE LYS A 95 -4.399 12.533 5.114 1.00 0.00 C ATOM 1528 NZ LYS A 95 -3.797 13.368 6.177 1.00 0.00 N ATOM 0 H LYS A 95 -2.628 14.016 0.787 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.371 14.558 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.358 15.480 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.100 15.555 2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.721 12.907 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.283 13.213 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.311 14.395 4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.097 12.974 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.098 11.822 5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.623 11.951 4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.308 12.758 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.115 14.029 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.544 13.905 6.662 1.00 0.00 H new