USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 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 73 THR OG1 : rot 180:sc= 0.248! USER MOD Set 1.2: A 82 TYR OH : rot -39:sc= 0.453 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 -56:sc= -0.0512 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 163:sc= -0.813 (180deg=-2!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -2.18 K(o=-2.2,f=-8.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0.354 K(o=0.35,f=-4.9!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 42 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.48) 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=-0.89) USER MOD Single : A 55 SER OG : rot 180:sc= 0 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 -28:sc= -0.157 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 67 SER OG : rot 55:sc= 0.67 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 86 ASN : amide:sc= -1.47 K(o=-1.5,f=-6.8!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.507 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 -5.941 -14.746 -3.886 1.00 0.00 N ATOM 60 CA GLY A 7 -5.611 -13.356 -3.621 1.00 0.00 C ATOM 61 C GLY A 7 -5.632 -12.532 -4.910 1.00 0.00 C ATOM 62 O GLY A 7 -6.138 -12.988 -5.934 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.322 -12.939 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.625 -13.294 -3.162 1.00 0.00 H new ATOM 66 N MET A 8 -5.076 -11.333 -4.818 1.00 0.00 N ATOM 67 CA MET A 8 -5.024 -10.442 -5.964 1.00 0.00 C ATOM 68 C MET A 8 -3.750 -9.594 -5.942 1.00 0.00 C ATOM 69 O MET A 8 -2.986 -9.640 -4.980 1.00 0.00 O ATOM 70 CB MET A 8 -6.248 -9.524 -5.953 1.00 0.00 C ATOM 71 CG MET A 8 -6.598 -9.094 -4.527 1.00 0.00 C ATOM 72 SD MET A 8 -7.167 -7.402 -4.522 1.00 0.00 S ATOM 73 CE MET A 8 -8.915 -7.663 -4.274 1.00 0.00 C ATOM 0 H MET A 8 -4.657 -10.958 -3.967 1.00 0.00 H new ATOM 0 HA MET A 8 -5.020 -11.047 -6.871 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.052 -8.643 -6.564 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.098 -10.040 -6.400 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.370 -9.747 -4.121 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.724 -9.194 -3.883 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.426 -6.701 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.313 -8.262 -5.093 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.075 -8.186 -3.331 1.00 0.00 H new ATOM 83 N THR A 9 -3.561 -8.840 -7.015 1.00 0.00 N ATOM 84 CA THR A 9 -2.393 -7.983 -7.131 1.00 0.00 C ATOM 85 C THR A 9 -2.816 -6.516 -7.228 1.00 0.00 C ATOM 86 O THR A 9 -3.203 -6.046 -8.297 1.00 0.00 O ATOM 87 CB THR A 9 -1.575 -8.460 -8.333 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.736 -9.481 -7.799 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.595 -7.397 -8.833 1.00 0.00 C ATOM 0 H THR A 9 -4.197 -8.805 -7.812 1.00 0.00 H new ATOM 0 HA THR A 9 -1.764 -8.049 -6.244 1.00 0.00 H new ATOM 0 HB THR A 9 -2.249 -8.742 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.172 -9.847 -8.512 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.040 -7.786 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.147 -6.507 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.101 -7.139 -8.035 1.00 0.00 H new ATOM 97 N VAL A 10 -2.727 -5.833 -6.096 1.00 0.00 N ATOM 98 CA VAL A 10 -3.096 -4.428 -6.039 1.00 0.00 C ATOM 99 C VAL A 10 -1.850 -3.569 -6.265 1.00 0.00 C ATOM 100 O VAL A 10 -0.990 -3.475 -5.391 1.00 0.00 O ATOM 101 CB VAL A 10 -3.799 -4.125 -4.715 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.164 -2.642 -4.615 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.036 -5.007 -4.536 1.00 0.00 C ATOM 0 H VAL A 10 -2.405 -6.226 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.805 -4.187 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.104 -4.355 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.663 -2.453 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.258 -2.039 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.832 -2.376 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.517 -4.771 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.735 -4.824 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.739 -6.056 -4.541 1.00 0.00 H new ATOM 113 N ARG A 11 -1.793 -2.964 -7.442 1.00 0.00 N ATOM 114 CA ARG A 11 -0.667 -2.116 -7.794 1.00 0.00 C ATOM 115 C ARG A 11 -0.784 -0.761 -7.094 1.00 0.00 C ATOM 116 O ARG A 11 -1.873 -0.195 -7.008 1.00 0.00 O ATOM 117 CB ARG A 11 -0.593 -1.897 -9.307 1.00 0.00 C ATOM 118 CG ARG A 11 0.414 -2.851 -9.951 1.00 0.00 C ATOM 119 CD ARG A 11 0.518 -2.604 -11.457 1.00 0.00 C ATOM 120 NE ARG A 11 0.837 -3.868 -12.157 1.00 0.00 N ATOM 121 CZ ARG A 11 -0.075 -4.788 -12.500 1.00 0.00 C ATOM 122 NH1 ARG A 11 -1.368 -4.590 -12.210 1.00 0.00 N ATOM 123 NH2 ARG A 11 0.306 -5.906 -13.133 1.00 0.00 N ATOM 0 H ARG A 11 -2.509 -3.044 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 11 0.242 -2.620 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.578 -2.050 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.307 -0.866 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.392 -2.719 -9.489 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.112 -3.882 -9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.421 -2.198 -11.833 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.290 -1.862 -11.660 1.00 0.00 H new ATOM 0 HE ARG A 11 1.812 -4.051 -12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.658 -3.739 -11.728 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.062 -5.290 -12.471 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.290 -6.057 -13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.388 -6.606 -13.394 1.00 0.00 H new ATOM 137 N VAL A 12 0.352 -0.279 -6.613 1.00 0.00 N ATOM 138 CA VAL A 12 0.391 1.000 -5.924 1.00 0.00 C ATOM 139 C VAL A 12 1.335 1.947 -6.667 1.00 0.00 C ATOM 140 O VAL A 12 2.505 2.072 -6.307 1.00 0.00 O ATOM 141 CB VAL A 12 0.782 0.793 -4.459 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.943 2.134 -3.740 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.234 -0.096 -3.740 1.00 0.00 C ATOM 0 H VAL A 12 1.253 -0.751 -6.687 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.596 1.462 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 12 1.746 0.284 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.221 1.959 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.722 2.718 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.001 2.682 -3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.068 -0.227 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.217 0.373 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.278 -1.069 -4.230 1.00 0.00 H new ATOM 153 N CYS A 13 0.792 2.590 -7.690 1.00 0.00 N ATOM 154 CA CYS A 13 1.571 3.522 -8.487 1.00 0.00 C ATOM 155 C CYS A 13 1.912 4.732 -7.615 1.00 0.00 C ATOM 156 O CYS A 13 1.255 5.768 -7.700 1.00 0.00 O ATOM 157 CB CYS A 13 0.833 3.929 -9.764 1.00 0.00 C ATOM 158 SG CYS A 13 1.731 5.287 -10.600 1.00 0.00 S ATOM 0 H CYS A 13 -0.179 2.484 -7.985 1.00 0.00 H new ATOM 0 HA CYS A 13 2.492 3.041 -8.816 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.747 3.073 -10.433 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.181 4.247 -9.522 1.00 0.00 H new ATOM 0 HG CYS A 13 1.882 6.280 -9.775 1.00 0.00 H new ATOM 164 N LYS A 14 2.940 4.560 -6.797 1.00 0.00 N ATOM 165 CA LYS A 14 3.376 5.624 -5.909 1.00 0.00 C ATOM 166 C LYS A 14 3.305 6.961 -6.650 1.00 0.00 C ATOM 167 O LYS A 14 3.408 7.002 -7.875 1.00 0.00 O ATOM 168 CB LYS A 14 4.760 5.311 -5.337 1.00 0.00 C ATOM 169 CG LYS A 14 4.688 4.171 -4.320 1.00 0.00 C ATOM 170 CD LYS A 14 5.939 4.140 -3.440 1.00 0.00 C ATOM 171 CE LYS A 14 7.114 3.498 -4.180 1.00 0.00 C ATOM 172 NZ LYS A 14 8.350 3.590 -3.370 1.00 0.00 N ATOM 0 H LYS A 14 3.484 3.700 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 14 2.711 5.699 -5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.439 5.039 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.171 6.202 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.803 4.292 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.583 3.220 -4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.203 5.154 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.732 3.583 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.889 2.453 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.263 3.995 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.138 3.150 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.572 4.590 -3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.210 3.096 -2.466 1.00 0.00 H new ATOM 237 N VAL A 19 5.431 1.686 -9.268 1.00 0.00 N ATOM 238 CA VAL A 19 4.268 0.972 -8.769 1.00 0.00 C ATOM 239 C VAL A 19 4.724 -0.304 -8.057 1.00 0.00 C ATOM 240 O VAL A 19 5.597 -1.016 -8.552 1.00 0.00 O ATOM 241 CB VAL A 19 3.290 0.700 -9.914 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.009 0.082 -11.114 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.135 -0.189 -9.448 1.00 0.00 C ATOM 0 HA VAL A 19 3.733 1.578 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 19 2.871 1.655 -10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.291 -0.101 -11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.780 0.766 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.469 -0.860 -10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.454 -0.367 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.529 -1.141 -9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.598 0.307 -8.640 1.00 0.00 H new ATOM 253 N MET A 20 4.114 -0.552 -6.908 1.00 0.00 N ATOM 254 CA MET A 20 4.447 -1.729 -6.124 1.00 0.00 C ATOM 255 C MET A 20 3.278 -2.715 -6.091 1.00 0.00 C ATOM 256 O MET A 20 2.176 -2.364 -5.671 1.00 0.00 O ATOM 257 CB MET A 20 4.800 -1.308 -4.696 1.00 0.00 C ATOM 258 CG MET A 20 6.316 -1.232 -4.505 1.00 0.00 C ATOM 259 SD MET A 20 6.705 -0.172 -3.123 1.00 0.00 S ATOM 260 CE MET A 20 5.309 -0.517 -2.065 1.00 0.00 C ATOM 0 H MET A 20 3.391 0.042 -6.501 1.00 0.00 H new ATOM 0 HA MET A 20 5.301 -2.222 -6.589 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.354 -0.338 -4.478 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.376 -2.020 -3.988 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.720 -2.230 -4.333 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.786 -0.849 -5.411 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.531 -0.185 -1.051 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.431 0.012 -2.436 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.112 -1.589 -2.061 1.00 0.00 H new ATOM 270 N PRO A 21 3.564 -3.962 -6.551 1.00 0.00 N ATOM 271 CA PRO A 21 2.549 -5.002 -6.579 1.00 0.00 C ATOM 272 C PRO A 21 2.282 -5.544 -5.174 1.00 0.00 C ATOM 273 O PRO A 21 3.119 -6.244 -4.605 1.00 0.00 O ATOM 274 CB PRO A 21 3.092 -6.056 -7.530 1.00 0.00 C ATOM 275 CG PRO A 21 4.585 -5.792 -7.637 1.00 0.00 C ATOM 276 CD PRO A 21 4.857 -4.415 -7.056 1.00 0.00 C ATOM 0 HA PRO A 21 1.581 -4.637 -6.922 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.899 -7.060 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.612 -5.986 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.147 -6.553 -7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.907 -5.838 -8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.599 -4.461 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.246 -3.735 -7.814 1.00 0.00 H new ATOM 284 N VAL A 22 1.112 -5.201 -4.654 1.00 0.00 N ATOM 285 CA VAL A 22 0.724 -5.646 -3.326 1.00 0.00 C ATOM 286 C VAL A 22 -0.308 -6.768 -3.450 1.00 0.00 C ATOM 287 O VAL A 22 -1.077 -6.806 -4.409 1.00 0.00 O ATOM 288 CB VAL A 22 0.220 -4.458 -2.504 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.226 -4.906 -1.110 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.285 -3.363 -2.412 1.00 0.00 C ATOM 0 H VAL A 22 0.420 -4.620 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 22 1.583 -6.053 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.647 -4.040 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.580 -4.043 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.032 -5.634 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.616 -5.361 -0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.901 -2.530 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.179 -3.764 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.535 -3.013 -3.414 1.00 0.00 H new ATOM 300 N VAL A 23 -0.292 -7.654 -2.465 1.00 0.00 N ATOM 301 CA VAL A 23 -1.218 -8.774 -2.452 1.00 0.00 C ATOM 302 C VAL A 23 -2.152 -8.644 -1.248 1.00 0.00 C ATOM 303 O VAL A 23 -1.744 -8.169 -0.189 1.00 0.00 O ATOM 304 CB VAL A 23 -0.443 -10.094 -2.466 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.343 -11.263 -2.061 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.194 -10.340 -3.836 1.00 0.00 C ATOM 0 H VAL A 23 0.347 -7.619 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.839 -8.766 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 23 0.359 -10.020 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.768 -12.189 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.728 -11.095 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.176 -11.340 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.739 -11.284 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.585 -10.384 -4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.883 -9.528 -4.068 1.00 0.00 H new ATOM 316 N VAL A 24 -3.389 -9.074 -1.449 1.00 0.00 N ATOM 317 CA VAL A 24 -4.385 -9.011 -0.393 1.00 0.00 C ATOM 318 C VAL A 24 -5.411 -10.127 -0.599 1.00 0.00 C ATOM 319 O VAL A 24 -5.313 -10.897 -1.553 1.00 0.00 O ATOM 320 CB VAL A 24 -5.017 -7.618 -0.352 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.081 -6.611 0.319 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.408 -7.152 -1.756 1.00 0.00 C ATOM 0 H VAL A 24 -3.724 -9.468 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.921 -9.171 0.580 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.926 -7.680 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.554 -5.629 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.874 -6.931 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.147 -6.554 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.855 -6.159 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.520 -7.114 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.128 -7.850 -2.184 1.00 0.00 H new ATOM 332 N VAL A 25 -6.373 -10.179 0.312 1.00 0.00 N ATOM 333 CA VAL A 25 -7.416 -11.188 0.242 1.00 0.00 C ATOM 334 C VAL A 25 -8.411 -10.812 -0.858 1.00 0.00 C ATOM 335 O VAL A 25 -8.612 -9.632 -1.141 1.00 0.00 O ATOM 336 CB VAL A 25 -8.075 -11.354 1.613 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.057 -11.813 2.659 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.765 -10.060 2.050 1.00 0.00 C ATOM 0 H VAL A 25 -6.451 -9.539 1.102 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.993 -12.158 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.838 -12.128 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.551 -11.923 3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.632 -12.770 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.261 -11.073 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.225 -10.205 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.029 -9.258 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.533 -9.794 1.323 1.00 0.00 H new ATOM 348 N GLN A 26 -9.006 -11.837 -1.448 1.00 0.00 N ATOM 349 CA GLN A 26 -9.975 -11.629 -2.511 1.00 0.00 C ATOM 350 C GLN A 26 -10.938 -10.500 -2.138 1.00 0.00 C ATOM 351 O GLN A 26 -11.345 -9.718 -2.996 1.00 0.00 O ATOM 352 CB GLN A 26 -10.737 -12.920 -2.818 1.00 0.00 C ATOM 353 CG GLN A 26 -10.595 -13.303 -4.293 1.00 0.00 C ATOM 354 CD GLN A 26 -11.630 -14.359 -4.687 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.785 -14.067 -4.948 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.151 -15.600 -4.716 1.00 0.00 N ATOM 0 H GLN A 26 -8.836 -12.814 -1.211 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.438 -11.339 -3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.359 -13.727 -2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.791 -12.792 -2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.719 -12.417 -4.916 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.591 -13.685 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.173 -15.775 -4.486 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.762 -16.377 -4.968 1.00 0.00 H new ATOM 365 N ASN A 27 -11.274 -10.450 -0.858 1.00 0.00 N ATOM 366 CA ASN A 27 -12.181 -9.429 -0.361 1.00 0.00 C ATOM 367 C ASN A 27 -11.454 -8.566 0.672 1.00 0.00 C ATOM 368 O ASN A 27 -11.866 -8.497 1.829 1.00 0.00 O ATOM 369 CB ASN A 27 -13.398 -10.058 0.321 1.00 0.00 C ATOM 370 CG ASN A 27 -14.316 -8.982 0.905 1.00 0.00 C ATOM 371 OD1 ASN A 27 -14.070 -7.793 0.793 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.384 -9.466 1.531 1.00 0.00 N ATOM 0 H ASN A 27 -10.934 -11.100 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.512 -8.830 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.951 -10.662 -0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.068 -10.730 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.059 -8.829 1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -15.529 -10.474 1.588 1.00 0.00 H new ATOM 379 N ALA A 28 -10.384 -7.929 0.217 1.00 0.00 N ATOM 380 CA ALA A 28 -9.596 -7.074 1.087 1.00 0.00 C ATOM 381 C ALA A 28 -10.316 -5.736 1.267 1.00 0.00 C ATOM 382 O ALA A 28 -11.380 -5.516 0.691 1.00 0.00 O ATOM 383 CB ALA A 28 -8.192 -6.906 0.503 1.00 0.00 C ATOM 0 H ALA A 28 -10.045 -7.989 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.487 -7.526 2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.601 -6.264 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.713 -7.882 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.261 -6.452 -0.486 1.00 0.00 H new ATOM 389 N THR A 29 -9.706 -4.876 2.070 1.00 0.00 N ATOM 390 CA THR A 29 -10.276 -3.565 2.333 1.00 0.00 C ATOM 391 C THR A 29 -9.216 -2.477 2.152 1.00 0.00 C ATOM 392 O THR A 29 -8.090 -2.763 1.747 1.00 0.00 O ATOM 393 CB THR A 29 -10.888 -3.589 3.735 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.781 -3.855 4.593 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.820 -4.783 3.947 1.00 0.00 C ATOM 0 H THR A 29 -8.823 -5.061 2.547 1.00 0.00 H new ATOM 0 HA THR A 29 -11.066 -3.327 1.621 1.00 0.00 H new ATOM 0 HB THR A 29 -11.439 -2.664 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.088 -3.886 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.227 -4.752 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.636 -4.740 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.262 -5.709 3.809 1.00 0.00 H new ATOM 403 N VAL A 30 -9.613 -1.251 2.460 1.00 0.00 N ATOM 404 CA VAL A 30 -8.712 -0.118 2.335 1.00 0.00 C ATOM 405 C VAL A 30 -7.547 -0.290 3.312 1.00 0.00 C ATOM 406 O VAL A 30 -6.385 -0.268 2.908 1.00 0.00 O ATOM 407 CB VAL A 30 -9.480 1.188 2.545 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.542 2.394 2.473 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.621 1.321 1.535 1.00 0.00 C ATOM 0 H VAL A 30 -10.547 -1.017 2.796 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.291 -0.073 1.330 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.917 1.162 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.114 3.309 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.780 2.309 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.063 2.424 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.151 2.258 1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.214 1.313 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.312 0.486 1.654 1.00 0.00 H new ATOM 419 N LEU A 31 -7.898 -0.456 4.579 1.00 0.00 N ATOM 420 CA LEU A 31 -6.896 -0.631 5.616 1.00 0.00 C ATOM 421 C LEU A 31 -5.976 -1.794 5.240 1.00 0.00 C ATOM 422 O LEU A 31 -4.760 -1.627 5.159 1.00 0.00 O ATOM 423 CB LEU A 31 -7.563 -0.794 6.984 1.00 0.00 C ATOM 424 CG LEU A 31 -6.728 -1.491 8.059 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.843 -0.488 8.802 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.618 -2.287 9.015 1.00 0.00 C ATOM 0 H LEU A 31 -8.862 -0.473 4.911 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.271 0.259 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.840 0.194 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.488 -1.355 6.850 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.065 -2.203 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.260 -1.010 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.169 -0.004 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.469 0.265 9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.999 -2.773 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.322 -1.613 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.168 -3.044 8.455 1.00 0.00 H new ATOM 438 N ASP A 32 -6.591 -2.947 5.019 1.00 0.00 N ATOM 439 CA ASP A 32 -5.842 -4.137 4.653 1.00 0.00 C ATOM 440 C ASP A 32 -4.748 -3.758 3.653 1.00 0.00 C ATOM 441 O ASP A 32 -3.565 -3.986 3.905 1.00 0.00 O ATOM 442 CB ASP A 32 -6.749 -5.176 3.991 1.00 0.00 C ATOM 443 CG ASP A 32 -6.565 -6.609 4.494 1.00 0.00 C ATOM 444 OD1 ASP A 32 -5.391 -7.016 4.632 1.00 0.00 O ATOM 445 OD2 ASP A 32 -7.602 -7.265 4.728 1.00 0.00 O ATOM 0 H ASP A 32 -7.600 -3.082 5.086 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.414 -4.559 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.787 -4.882 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.572 -5.159 2.916 1.00 0.00 H new ATOM 450 N LEU A 33 -5.181 -3.186 2.539 1.00 0.00 N ATOM 451 CA LEU A 33 -4.252 -2.773 1.500 1.00 0.00 C ATOM 452 C LEU A 33 -2.997 -2.185 2.148 1.00 0.00 C ATOM 453 O LEU A 33 -1.895 -2.694 1.948 1.00 0.00 O ATOM 454 CB LEU A 33 -4.938 -1.824 0.516 1.00 0.00 C ATOM 455 CG LEU A 33 -4.418 -1.859 -0.923 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.036 -1.210 -1.022 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.421 -3.287 -1.472 1.00 0.00 C ATOM 0 H LEU A 33 -6.162 -2.999 2.333 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.933 -3.632 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.003 -2.055 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.837 -0.806 0.893 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.094 -1.273 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.689 -1.248 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.098 -0.171 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.335 -1.748 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.047 -3.284 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.781 -3.916 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.438 -3.680 -1.458 1.00 0.00 H new ATOM 469 N LYS A 34 -3.206 -1.122 2.911 1.00 0.00 N ATOM 470 CA LYS A 34 -2.105 -0.460 3.589 1.00 0.00 C ATOM 471 C LYS A 34 -1.270 -1.502 4.336 1.00 0.00 C ATOM 472 O LYS A 34 -0.065 -1.612 4.115 1.00 0.00 O ATOM 473 CB LYS A 34 -2.626 0.666 4.484 1.00 0.00 C ATOM 474 CG LYS A 34 -3.129 1.844 3.647 1.00 0.00 C ATOM 475 CD LYS A 34 -4.604 2.131 3.934 1.00 0.00 C ATOM 476 CE LYS A 34 -4.764 3.413 4.753 1.00 0.00 C ATOM 477 NZ LYS A 34 -4.802 3.103 6.200 1.00 0.00 N ATOM 0 H LYS A 34 -4.121 -0.703 3.074 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.445 0.018 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.433 0.291 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.832 1.002 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.533 2.730 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.997 1.624 2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.149 2.225 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.043 1.293 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.938 4.092 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.680 3.926 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.911 3.984 6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.605 2.473 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.917 2.633 6.478 1.00 0.00 H new ATOM 491 N LYS A 35 -1.944 -2.242 5.204 1.00 0.00 N ATOM 492 CA LYS A 35 -1.280 -3.272 5.985 1.00 0.00 C ATOM 493 C LYS A 35 -0.326 -4.055 5.081 1.00 0.00 C ATOM 494 O LYS A 35 0.809 -4.335 5.464 1.00 0.00 O ATOM 495 CB LYS A 35 -2.309 -4.150 6.699 1.00 0.00 C ATOM 496 CG LYS A 35 -3.122 -3.333 7.707 1.00 0.00 C ATOM 497 CD LYS A 35 -3.838 -4.248 8.703 1.00 0.00 C ATOM 498 CE LYS A 35 -3.671 -3.735 10.135 1.00 0.00 C ATOM 499 NZ LYS A 35 -3.713 -4.859 11.096 1.00 0.00 N ATOM 0 H LYS A 35 -2.944 -2.149 5.384 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.677 -2.822 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.979 -4.601 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.802 -4.967 7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.463 -2.650 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.853 -2.721 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.898 -4.304 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.438 -5.259 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.724 -3.204 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.462 -3.021 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.598 -4.494 12.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.627 -5.349 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.943 -5.526 10.884 1.00 0.00 H new ATOM 513 N ALA A 36 -0.821 -4.387 3.897 1.00 0.00 N ATOM 514 CA ALA A 36 -0.027 -5.132 2.936 1.00 0.00 C ATOM 515 C ALA A 36 1.176 -4.287 2.510 1.00 0.00 C ATOM 516 O ALA A 36 2.319 -4.636 2.802 1.00 0.00 O ATOM 517 CB ALA A 36 -0.905 -5.534 1.750 1.00 0.00 C ATOM 0 H ALA A 36 -1.763 -4.153 3.582 1.00 0.00 H new ATOM 0 HA ALA A 36 0.356 -6.049 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.309 -6.093 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.728 -6.157 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.305 -4.639 1.274 1.00 0.00 H new ATOM 523 N ILE A 37 0.877 -3.192 1.828 1.00 0.00 N ATOM 524 CA ILE A 37 1.919 -2.294 1.359 1.00 0.00 C ATOM 525 C ILE A 37 2.996 -2.163 2.438 1.00 0.00 C ATOM 526 O ILE A 37 4.180 -2.042 2.127 1.00 0.00 O ATOM 527 CB ILE A 37 1.319 -0.956 0.924 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.379 -1.138 -0.270 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.416 0.071 0.639 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.506 0.094 -0.464 1.00 0.00 C ATOM 0 H ILE A 37 -0.072 -2.906 1.589 1.00 0.00 H new ATOM 0 HA ILE A 37 2.403 -2.703 0.472 1.00 0.00 H new ATOM 0 HB ILE A 37 0.721 -0.567 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.963 -1.317 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.245 -2.018 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.962 1.013 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.008 0.231 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.061 -0.298 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.164 -0.062 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.106 0.255 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.121 0.968 -0.643 1.00 0.00 H new ATOM 542 N GLN A 38 2.547 -2.192 3.684 1.00 0.00 N ATOM 543 CA GLN A 38 3.458 -2.078 4.811 1.00 0.00 C ATOM 544 C GLN A 38 4.227 -3.386 5.006 1.00 0.00 C ATOM 545 O GLN A 38 5.457 -3.393 5.013 1.00 0.00 O ATOM 546 CB GLN A 38 2.707 -1.688 6.085 1.00 0.00 C ATOM 547 CG GLN A 38 2.781 -0.179 6.325 1.00 0.00 C ATOM 548 CD GLN A 38 1.654 0.285 7.250 1.00 0.00 C ATOM 549 OE1 GLN A 38 0.601 0.722 6.816 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.933 0.167 8.545 1.00 0.00 N ATOM 0 H GLN A 38 1.564 -2.293 3.938 1.00 0.00 H new ATOM 0 HA GLN A 38 4.176 -1.286 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.665 -1.996 6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.132 -2.217 6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.745 0.076 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.715 0.348 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.835 -0.207 8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.245 0.451 9.243 1.00 0.00 H new ATOM 559 N ARG A 39 3.470 -4.463 5.159 1.00 0.00 N ATOM 560 CA ARG A 39 4.065 -5.774 5.354 1.00 0.00 C ATOM 561 C ARG A 39 4.860 -6.186 4.113 1.00 0.00 C ATOM 562 O ARG A 39 5.597 -7.171 4.142 1.00 0.00 O ATOM 563 CB ARG A 39 2.994 -6.829 5.638 1.00 0.00 C ATOM 564 CG ARG A 39 2.452 -6.691 7.062 1.00 0.00 C ATOM 565 CD ARG A 39 3.415 -7.311 8.077 1.00 0.00 C ATOM 566 NE ARG A 39 2.717 -7.542 9.362 1.00 0.00 N ATOM 567 CZ ARG A 39 1.744 -8.447 9.535 1.00 0.00 C ATOM 568 NH1 ARG A 39 1.348 -9.211 8.508 1.00 0.00 N ATOM 569 NH2 ARG A 39 1.167 -8.588 10.737 1.00 0.00 N ATOM 0 H ARG A 39 2.450 -4.454 5.152 1.00 0.00 H new ATOM 0 HA ARG A 39 4.733 -5.710 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.178 -6.725 4.923 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.414 -7.825 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.299 -5.638 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.479 -7.178 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.806 -8.253 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.269 -6.651 8.231 1.00 0.00 H new ATOM 0 HE ARG A 39 2.994 -6.977 10.165 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.787 -9.104 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.607 -9.900 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.469 -8.007 11.519 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.426 -9.277 10.870 1.00 0.00 H new ATOM 583 N TYR A 40 4.683 -5.412 3.053 1.00 0.00 N ATOM 584 CA TYR A 40 5.375 -5.684 1.804 1.00 0.00 C ATOM 585 C TYR A 40 6.796 -5.117 1.829 1.00 0.00 C ATOM 586 O TYR A 40 7.734 -5.763 1.364 1.00 0.00 O ATOM 587 CB TYR A 40 4.573 -4.971 0.714 1.00 0.00 C ATOM 588 CG TYR A 40 5.174 -5.102 -0.687 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.181 -4.249 -1.089 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.708 -6.074 -1.549 1.00 0.00 C ATOM 591 CE1 TYR A 40 6.746 -4.373 -2.408 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.273 -6.198 -2.868 1.00 0.00 C ATOM 593 CZ TYR A 40 6.265 -5.341 -3.232 1.00 0.00 C ATOM 594 OH TYR A 40 6.798 -5.458 -4.477 1.00 0.00 O ATOM 0 H TYR A 40 4.071 -4.597 3.033 1.00 0.00 H new ATOM 0 HA TYR A 40 5.450 -6.758 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.559 -5.372 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.495 -3.914 0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.546 -3.488 -0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.920 -6.742 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.534 -3.711 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.917 -6.954 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 40 6.358 -6.192 -4.954 1.00 0.00 H new ATOM 604 N VAL A 41 6.910 -3.916 2.377 1.00 0.00 N ATOM 605 CA VAL A 41 8.200 -3.255 2.469 1.00 0.00 C ATOM 606 C VAL A 41 8.833 -3.568 3.827 1.00 0.00 C ATOM 607 O VAL A 41 10.021 -3.878 3.905 1.00 0.00 O ATOM 608 CB VAL A 41 8.039 -1.755 2.217 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.399 -1.055 2.180 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.254 -1.497 0.929 1.00 0.00 C ATOM 0 H VAL A 41 6.130 -3.384 2.762 1.00 0.00 H new ATOM 0 HA VAL A 41 8.876 -3.629 1.700 1.00 0.00 H new ATOM 0 HB VAL A 41 7.470 -1.335 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.255 0.010 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.907 -1.196 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.005 -1.480 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.154 -0.423 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.784 -1.938 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.264 -1.946 1.010 1.00 0.00 H new ATOM 620 N GLN A 42 8.011 -3.477 4.862 1.00 0.00 N ATOM 621 CA GLN A 42 8.476 -3.747 6.212 1.00 0.00 C ATOM 622 C GLN A 42 9.178 -5.105 6.271 1.00 0.00 C ATOM 623 O GLN A 42 10.373 -5.178 6.554 1.00 0.00 O ATOM 624 CB GLN A 42 7.320 -3.684 7.213 1.00 0.00 C ATOM 625 CG GLN A 42 7.815 -3.259 8.597 1.00 0.00 C ATOM 626 CD GLN A 42 7.042 -3.982 9.701 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.904 -4.389 9.534 1.00 0.00 O ATOM 628 NE2 GLN A 42 7.722 -4.119 10.836 1.00 0.00 N ATOM 0 H GLN A 42 7.026 -3.220 4.793 1.00 0.00 H new ATOM 0 HA GLN A 42 9.195 -2.976 6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.567 -2.979 6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.838 -4.659 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.879 -3.478 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.700 -2.181 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.672 -3.755 10.909 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.293 -4.588 11.634 1.00 0.00 H new ATOM 637 N LEU A 43 8.406 -6.146 5.998 1.00 0.00 N ATOM 638 CA LEU A 43 8.939 -7.498 6.016 1.00 0.00 C ATOM 639 C LEU A 43 10.196 -7.557 5.145 1.00 0.00 C ATOM 640 O LEU A 43 11.178 -8.203 5.509 1.00 0.00 O ATOM 641 CB LEU A 43 7.861 -8.505 5.610 1.00 0.00 C ATOM 642 CG LEU A 43 7.834 -8.897 4.131 1.00 0.00 C ATOM 643 CD1 LEU A 43 9.068 -9.721 3.759 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.533 -9.624 3.781 1.00 0.00 C ATOM 0 H LEU A 43 7.416 -6.081 5.763 1.00 0.00 H new ATOM 0 HA LEU A 43 9.237 -7.777 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.995 -9.410 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.888 -8.092 5.874 1.00 0.00 H new ATOM 0 HG LEU A 43 7.865 -7.985 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.023 -9.986 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.967 -9.135 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.094 -10.630 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.539 -9.892 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.448 -10.528 4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.685 -8.971 3.985 1.00 0.00 H new ATOM 656 N LYS A 44 10.124 -6.876 4.011 1.00 0.00 N ATOM 657 CA LYS A 44 11.244 -6.843 3.086 1.00 0.00 C ATOM 658 C LYS A 44 12.514 -6.447 3.842 1.00 0.00 C ATOM 659 O LYS A 44 13.466 -7.222 3.911 1.00 0.00 O ATOM 660 CB LYS A 44 10.928 -5.935 1.895 1.00 0.00 C ATOM 661 CG LYS A 44 11.310 -6.609 0.576 1.00 0.00 C ATOM 662 CD LYS A 44 10.064 -6.974 -0.234 1.00 0.00 C ATOM 663 CE LYS A 44 9.340 -8.172 0.383 1.00 0.00 C ATOM 664 NZ LYS A 44 8.585 -8.911 -0.653 1.00 0.00 N ATOM 0 H LYS A 44 9.308 -6.343 3.712 1.00 0.00 H new ATOM 0 HA LYS A 44 11.420 -7.833 2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.865 -5.693 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.469 -4.994 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.945 -5.942 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.893 -7.508 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.389 -6.119 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.348 -7.206 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.062 -8.836 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.660 -7.831 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.100 -9.721 -0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.882 -8.279 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.242 -9.253 -1.383 1.00 0.00 H new ATOM 678 N GLN A 45 12.486 -5.241 4.389 1.00 0.00 N ATOM 679 CA GLN A 45 13.623 -4.732 5.138 1.00 0.00 C ATOM 680 C GLN A 45 13.951 -5.666 6.305 1.00 0.00 C ATOM 681 O GLN A 45 15.104 -6.048 6.494 1.00 0.00 O ATOM 682 CB GLN A 45 13.362 -3.308 5.631 1.00 0.00 C ATOM 683 CG GLN A 45 13.430 -2.306 4.477 1.00 0.00 C ATOM 684 CD GLN A 45 13.572 -0.875 5.000 1.00 0.00 C ATOM 685 OE1 GLN A 45 13.448 -0.604 6.183 1.00 0.00 O ATOM 686 NE2 GLN A 45 13.838 0.022 4.055 1.00 0.00 N ATOM 0 H GLN A 45 11.694 -4.601 4.329 1.00 0.00 H new ATOM 0 HA GLN A 45 14.486 -4.698 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.381 -3.257 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.096 -3.042 6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.275 -2.546 3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.530 -2.386 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.929 -0.273 3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.951 1.005 4.302 1.00 0.00 H new ATOM 695 N GLU A 46 12.915 -6.005 7.058 1.00 0.00 N ATOM 696 CA GLU A 46 13.078 -6.887 8.202 1.00 0.00 C ATOM 697 C GLU A 46 14.086 -7.992 7.880 1.00 0.00 C ATOM 698 O GLU A 46 14.993 -8.257 8.667 1.00 0.00 O ATOM 699 CB GLU A 46 11.735 -7.478 8.634 1.00 0.00 C ATOM 700 CG GLU A 46 11.433 -7.143 10.096 1.00 0.00 C ATOM 701 CD GLU A 46 11.702 -8.347 11.001 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.193 -9.437 10.662 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.411 -8.150 12.012 1.00 0.00 O ATOM 0 H GLU A 46 11.960 -5.685 6.899 1.00 0.00 H new ATOM 0 HA GLU A 46 13.465 -6.301 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.941 -7.089 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.750 -8.560 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.047 -6.300 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.392 -6.835 10.195 1.00 0.00 H new ATOM 832 N SER A 55 7.846 5.289 9.522 1.00 0.00 N ATOM 833 CA SER A 55 6.913 6.400 9.609 1.00 0.00 C ATOM 834 C SER A 55 5.798 6.228 8.575 1.00 0.00 C ATOM 835 O SER A 55 5.634 7.065 7.689 1.00 0.00 O ATOM 836 CB SER A 55 7.627 7.737 9.402 1.00 0.00 C ATOM 837 OG SER A 55 8.505 8.045 10.480 1.00 0.00 O ATOM 0 HA SER A 55 6.477 6.403 10.608 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.193 7.705 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.887 8.531 9.299 1.00 0.00 H new ATOM 0 HG SER A 55 8.943 8.905 10.310 1.00 0.00 H new ATOM 843 N TRP A 56 5.060 5.137 8.723 1.00 0.00 N ATOM 844 CA TRP A 56 3.966 4.845 7.813 1.00 0.00 C ATOM 845 C TRP A 56 2.791 5.755 8.178 1.00 0.00 C ATOM 846 O TRP A 56 2.120 6.291 7.298 1.00 0.00 O ATOM 847 CB TRP A 56 3.604 3.359 7.849 1.00 0.00 C ATOM 848 CG TRP A 56 4.543 2.470 7.031 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.507 1.654 7.481 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.569 2.339 5.594 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.149 1.010 6.443 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.561 1.440 5.259 1.00 0.00 C ATOM 853 CE3 TRP A 56 3.781 2.961 4.610 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.856 1.081 3.938 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.088 2.592 3.295 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.083 1.688 2.941 1.00 0.00 C ATOM 0 H TRP A 56 5.199 4.445 9.459 1.00 0.00 H new ATOM 0 HA TRP A 56 4.257 5.049 6.783 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.609 3.019 8.885 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.587 3.234 7.478 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.750 1.518 8.524 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.914 0.341 6.529 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.000 3.668 4.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.637 0.374 3.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.511 3.041 2.500 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.259 1.455 1.901 1.00 0.00 H new ATOM 867 N SER A 57 2.579 5.900 9.478 1.00 0.00 N ATOM 868 CA SER A 57 1.498 6.736 9.970 1.00 0.00 C ATOM 869 C SER A 57 1.465 8.058 9.201 1.00 0.00 C ATOM 870 O SER A 57 0.432 8.435 8.650 1.00 0.00 O ATOM 871 CB SER A 57 1.644 6.999 11.471 1.00 0.00 C ATOM 872 OG SER A 57 1.433 5.820 12.242 1.00 0.00 O ATOM 0 H SER A 57 3.137 5.453 10.205 1.00 0.00 H new ATOM 0 HA SER A 57 0.558 6.207 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.640 7.392 11.675 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.930 7.764 11.776 1.00 0.00 H new ATOM 0 HG SER A 57 1.537 6.029 13.194 1.00 0.00 H new ATOM 878 N TYR A 58 2.609 8.726 9.187 1.00 0.00 N ATOM 879 CA TYR A 58 2.725 9.998 8.494 1.00 0.00 C ATOM 880 C TYR A 58 2.303 9.865 7.029 1.00 0.00 C ATOM 881 O TYR A 58 1.528 10.677 6.527 1.00 0.00 O ATOM 882 CB TYR A 58 4.206 10.377 8.553 1.00 0.00 C ATOM 883 CG TYR A 58 4.612 11.458 7.549 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.318 12.782 7.805 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.272 11.110 6.389 1.00 0.00 C ATOM 886 CE1 TYR A 58 4.700 13.800 6.860 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.655 12.127 5.444 1.00 0.00 C ATOM 888 CZ TYR A 58 5.349 13.422 5.727 1.00 0.00 C ATOM 889 OH TYR A 58 5.710 14.383 4.835 1.00 0.00 O ATOM 0 H TYR A 58 3.464 8.410 9.645 1.00 0.00 H new ATOM 0 HA TYR A 58 2.083 10.747 8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.442 10.723 9.559 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.806 9.485 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.802 13.055 8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.502 10.074 6.189 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.476 14.840 7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.173 11.868 4.532 1.00 0.00 H new ATOM 0 HH TYR A 58 6.167 13.968 4.074 1.00 0.00 H new ATOM 899 N VAL A 59 2.832 8.834 6.386 1.00 0.00 N ATOM 900 CA VAL A 59 2.519 8.584 4.989 1.00 0.00 C ATOM 901 C VAL A 59 1.001 8.584 4.802 1.00 0.00 C ATOM 902 O VAL A 59 0.473 9.333 3.982 1.00 0.00 O ATOM 903 CB VAL A 59 3.178 7.281 4.531 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.596 6.813 3.195 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.697 7.435 4.444 1.00 0.00 C ATOM 0 H VAL A 59 3.475 8.163 6.806 1.00 0.00 H new ATOM 0 HA VAL A 59 2.923 9.377 4.359 1.00 0.00 H new ATOM 0 HB VAL A 59 2.962 6.516 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.081 5.885 2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.525 6.643 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.767 7.577 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.140 6.494 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.943 8.220 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.093 7.700 5.424 1.00 0.00 H new ATOM 915 N TRP A 60 0.341 7.736 5.578 1.00 0.00 N ATOM 916 CA TRP A 60 -1.106 7.629 5.508 1.00 0.00 C ATOM 917 C TRP A 60 -1.701 8.970 5.945 1.00 0.00 C ATOM 918 O TRP A 60 -2.799 9.332 5.525 1.00 0.00 O ATOM 919 CB TRP A 60 -1.610 6.451 6.344 1.00 0.00 C ATOM 920 CG TRP A 60 -0.938 5.118 6.009 1.00 0.00 C ATOM 921 CD1 TRP A 60 -0.282 4.294 6.837 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.883 4.485 4.713 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.190 3.180 6.172 1.00 0.00 N ATOM 924 CE2 TRP A 60 -0.187 3.300 4.840 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.404 4.900 3.475 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.051 2.432 3.767 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.157 4.022 2.413 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.458 2.825 2.524 1.00 0.00 C ATOM 0 H TRP A 60 0.782 7.117 6.258 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.428 7.421 4.488 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.449 6.672 7.399 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.686 6.350 6.200 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.140 4.478 7.892 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.718 2.410 6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.951 5.823 3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.598 1.509 3.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.536 4.293 1.439 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.309 2.201 1.655 1.00 0.00 H new ATOM 939 N ARG A 61 -0.950 9.669 6.783 1.00 0.00 N ATOM 940 CA ARG A 61 -1.389 10.961 7.281 1.00 0.00 C ATOM 941 C ARG A 61 -0.881 12.082 6.371 1.00 0.00 C ATOM 942 O ARG A 61 -0.530 13.161 6.846 1.00 0.00 O ATOM 943 CB ARG A 61 -0.885 11.203 8.706 1.00 0.00 C ATOM 944 CG ARG A 61 -1.609 12.386 9.351 1.00 0.00 C ATOM 945 CD ARG A 61 -0.633 13.265 10.134 1.00 0.00 C ATOM 946 NE ARG A 61 -1.147 13.497 11.503 1.00 0.00 N ATOM 947 CZ ARG A 61 -2.298 14.126 11.776 1.00 0.00 C ATOM 948 NH1 ARG A 61 -3.062 14.589 10.778 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.685 14.291 13.049 1.00 0.00 N ATOM 0 H ARG A 61 -0.040 9.365 7.130 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.479 10.960 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.039 10.307 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.188 11.395 8.688 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.101 12.980 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.389 12.020 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.345 12.785 10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.497 14.217 9.622 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.590 13.157 12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.768 14.463 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.938 15.068 10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.103 13.938 13.809 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.561 14.770 13.258 1.00 0.00 H new ATOM 963 N THR A 62 -0.858 11.787 5.080 1.00 0.00 N ATOM 964 CA THR A 62 -0.399 12.756 4.099 1.00 0.00 C ATOM 965 C THR A 62 -0.972 12.430 2.719 1.00 0.00 C ATOM 966 O THR A 62 -1.507 13.307 2.042 1.00 0.00 O ATOM 967 CB THR A 62 1.131 12.774 4.133 1.00 0.00 C ATOM 968 OG1 THR A 62 1.444 13.098 5.485 1.00 0.00 O ATOM 969 CG2 THR A 62 1.720 13.933 3.326 1.00 0.00 C ATOM 0 H THR A 62 -1.150 10.891 4.690 1.00 0.00 H new ATOM 0 HA THR A 62 -0.756 13.758 4.336 1.00 0.00 H new ATOM 0 HB THR A 62 1.514 11.830 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.716 13.629 5.871 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.808 13.900 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.408 13.847 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.364 14.879 3.734 1.00 0.00 H new ATOM 977 N TYR A 63 -0.842 11.166 2.342 1.00 0.00 N ATOM 978 CA TYR A 63 -1.340 10.714 1.055 1.00 0.00 C ATOM 979 C TYR A 63 -2.399 9.622 1.229 1.00 0.00 C ATOM 980 O TYR A 63 -2.463 8.977 2.274 1.00 0.00 O ATOM 981 CB TYR A 63 -0.135 10.126 0.319 1.00 0.00 C ATOM 982 CG TYR A 63 0.986 11.134 0.056 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.950 11.928 -1.072 1.00 0.00 C ATOM 984 CD2 TYR A 63 2.034 11.248 0.947 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.004 12.876 -1.319 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.089 12.197 0.700 1.00 0.00 C ATOM 987 CZ TYR A 63 3.022 12.964 -0.421 1.00 0.00 C ATOM 988 OH TYR A 63 4.018 13.860 -0.654 1.00 0.00 O ATOM 0 H TYR A 63 -0.399 10.441 2.906 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.800 11.539 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.265 9.297 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.469 9.713 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.131 11.838 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.063 10.626 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.987 13.504 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.914 12.297 1.389 1.00 0.00 H new ATOM 0 HH TYR A 63 4.676 13.813 0.071 1.00 0.00 H new ATOM 998 N HIS A 64 -3.201 9.449 0.189 1.00 0.00 N ATOM 999 CA HIS A 64 -4.253 8.447 0.215 1.00 0.00 C ATOM 1000 C HIS A 64 -4.054 7.466 -0.942 1.00 0.00 C ATOM 1001 O HIS A 64 -3.167 7.652 -1.773 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.633 9.108 0.201 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.093 9.597 1.554 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.678 8.765 2.493 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.047 10.839 2.115 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.968 9.486 3.566 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.576 10.771 3.330 1.00 0.00 N ATOM 0 H HIS A 64 -3.144 9.985 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.196 7.878 1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.614 9.950 -0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.362 8.395 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.648 11.728 1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.433 9.120 4.469 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.673 11.551 3.980 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.895 6.442 -0.958 1.00 0.00 N ATOM 1016 CA LEU A 65 -4.823 5.430 -1.999 1.00 0.00 C ATOM 1017 C LEU A 65 -5.963 5.647 -2.995 1.00 0.00 C ATOM 1018 O LEU A 65 -7.132 5.470 -2.654 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.802 4.029 -1.384 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.636 3.729 -0.440 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.649 2.263 -0.001 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.301 4.125 -1.074 1.00 0.00 C ATOM 0 H LEU A 65 -5.630 6.291 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.891 5.522 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.733 3.879 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.786 3.299 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.759 4.335 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.810 2.076 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.583 2.047 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.563 1.620 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.489 3.901 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.156 3.564 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.306 5.192 -1.295 1.00 0.00 H new ATOM 1034 N THR A 66 -5.584 6.029 -4.206 1.00 0.00 N ATOM 1035 CA THR A 66 -6.561 6.272 -5.254 1.00 0.00 C ATOM 1036 C THR A 66 -6.444 5.210 -6.349 1.00 0.00 C ATOM 1037 O THR A 66 -5.430 4.520 -6.444 1.00 0.00 O ATOM 1038 CB THR A 66 -6.358 7.699 -5.767 1.00 0.00 C ATOM 1039 OG1 THR A 66 -6.929 7.683 -7.073 1.00 0.00 O ATOM 1040 CG2 THR A 66 -4.884 8.031 -6.008 1.00 0.00 C ATOM 0 H THR A 66 -4.614 6.176 -4.485 1.00 0.00 H new ATOM 0 HA THR A 66 -7.579 6.190 -4.873 1.00 0.00 H new ATOM 0 HB THR A 66 -6.776 8.405 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.842 8.571 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.796 9.055 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.331 7.928 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.473 7.346 -6.750 1.00 0.00 H new ATOM 1048 N SER A 67 -7.496 5.112 -7.148 1.00 0.00 N ATOM 1049 CA SER A 67 -7.524 4.145 -8.233 1.00 0.00 C ATOM 1050 C SER A 67 -8.108 4.789 -9.492 1.00 0.00 C ATOM 1051 O SER A 67 -7.493 4.749 -10.557 1.00 0.00 O ATOM 1052 CB SER A 67 -8.334 2.906 -7.846 1.00 0.00 C ATOM 1053 OG SER A 67 -8.424 1.972 -8.918 1.00 0.00 O ATOM 0 H SER A 67 -8.335 5.686 -7.066 1.00 0.00 H new ATOM 0 HA SER A 67 -6.501 3.828 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.872 2.425 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.337 3.208 -7.543 1.00 0.00 H new ATOM 0 HG SER A 67 -7.523 1.738 -9.224 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.288 5.368 -9.329 1.00 0.00 N ATOM 1060 CA ALA A 68 -9.962 6.020 -10.440 1.00 0.00 C ATOM 1061 C ALA A 68 -11.192 6.764 -9.918 1.00 0.00 C ATOM 1062 O ALA A 68 -12.324 6.356 -10.175 1.00 0.00 O ATOM 1063 CB ALA A 68 -10.317 4.979 -11.503 1.00 0.00 C ATOM 0 H ALA A 68 -9.795 5.400 -8.445 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.307 6.754 -10.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.822 5.467 -12.336 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.406 4.500 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -10.976 4.227 -11.070 1.00 0.00 H new ATOM 1069 N GLY A 69 -10.930 7.843 -9.195 1.00 0.00 N ATOM 1070 CA GLY A 69 -12.002 8.648 -8.636 1.00 0.00 C ATOM 1071 C GLY A 69 -12.412 8.132 -7.255 1.00 0.00 C ATOM 1072 O GLY A 69 -12.760 8.915 -6.373 1.00 0.00 O ATOM 0 H GLY A 69 -9.990 8.178 -8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.680 9.686 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.862 8.630 -9.305 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.357 6.816 -7.111 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.719 6.185 -5.853 1.00 0.00 C ATOM 1078 C GLU A 70 -11.590 6.349 -4.833 1.00 0.00 C ATOM 1079 O GLU A 70 -10.593 5.631 -4.884 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.062 4.708 -6.059 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.449 4.549 -6.683 1.00 0.00 C ATOM 1082 CD GLU A 70 -14.397 3.637 -7.910 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -13.687 2.612 -7.826 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -15.069 3.986 -8.905 1.00 0.00 O ATOM 0 H GLU A 70 -12.067 6.169 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.609 6.680 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.315 4.244 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.028 4.186 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.138 4.135 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.838 5.527 -6.968 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.785 7.299 -3.930 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.796 7.567 -2.900 1.00 0.00 C ATOM 1093 C LYS A 71 -10.879 6.481 -1.826 1.00 0.00 C ATOM 1094 O LYS A 71 -11.858 6.409 -1.085 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.962 8.987 -2.354 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.777 10.026 -3.462 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.205 11.329 -2.902 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.245 11.980 -3.899 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.959 12.970 -4.736 1.00 0.00 N ATOM 0 H LYS A 71 -12.614 7.893 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.790 7.527 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.951 9.096 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.235 9.163 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.109 9.631 -4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.734 10.223 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.018 12.018 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.683 11.129 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.431 12.468 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.796 11.215 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.292 13.402 -5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.721 12.495 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.366 13.709 -4.128 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.838 5.663 -1.775 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.780 4.585 -0.803 1.00 0.00 C ATOM 1115 C LEU A 72 -9.546 5.171 0.590 1.00 0.00 C ATOM 1116 O LEU A 72 -8.404 5.318 1.022 1.00 0.00 O ATOM 1117 CB LEU A 72 -8.735 3.546 -1.217 1.00 0.00 C ATOM 1118 CG LEU A 72 -8.744 3.136 -2.691 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.526 2.274 -3.027 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.057 2.442 -3.058 1.00 0.00 C ATOM 0 H LEU A 72 -9.028 5.725 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.730 4.052 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.747 3.937 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.881 2.652 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.676 4.039 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.556 1.996 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.615 2.838 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.538 1.373 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.038 2.161 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.180 1.549 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.890 3.122 -2.879 1.00 0.00 H new ATOM 1132 N THR A 73 -10.646 5.491 1.255 1.00 0.00 N ATOM 1133 CA THR A 73 -10.575 6.058 2.591 1.00 0.00 C ATOM 1134 C THR A 73 -11.136 5.074 3.619 1.00 0.00 C ATOM 1135 O THR A 73 -10.384 4.479 4.389 1.00 0.00 O ATOM 1136 CB THR A 73 -11.307 7.402 2.574 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.660 7.057 2.289 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.890 8.281 1.393 1.00 0.00 C ATOM 0 H THR A 73 -11.592 5.368 0.894 1.00 0.00 H new ATOM 0 HA THR A 73 -9.542 6.238 2.890 1.00 0.00 H new ATOM 0 HB THR A 73 -11.114 7.932 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.206 7.870 2.261 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.439 9.222 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.820 8.482 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.114 7.766 0.459 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.454 4.933 3.599 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.124 4.031 4.519 1.00 0.00 C ATOM 1148 C GLU A 74 -12.331 2.731 4.661 1.00 0.00 C ATOM 1149 O GLU A 74 -11.858 2.177 3.669 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.559 3.752 4.066 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.564 4.533 4.915 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.786 5.937 4.349 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -14.909 6.793 4.594 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -16.828 6.122 3.685 1.00 0.00 O ATOM 0 H GLU A 74 -13.075 5.429 2.960 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.173 4.511 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.673 4.026 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.767 2.685 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.512 3.996 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.202 4.604 5.941 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.210 2.281 5.901 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.482 1.055 6.185 1.00 0.00 C ATOM 1163 C ASP A 75 -12.471 -0.108 6.288 1.00 0.00 C ATOM 1164 O ASP A 75 -12.227 -1.185 5.746 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.730 1.157 7.513 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.763 2.537 8.172 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.985 3.402 7.715 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.567 2.697 9.116 1.00 0.00 O ATOM 0 H ASP A 75 -12.604 2.743 6.721 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.768 0.892 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.150 0.430 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.690 0.875 7.347 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.566 0.149 6.988 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.593 -0.863 7.170 1.00 0.00 C ATOM 1175 C ARG A 76 -15.177 -1.275 5.817 1.00 0.00 C ATOM 1176 O ARG A 76 -15.740 -2.361 5.685 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.719 -0.350 8.069 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.455 -0.702 9.534 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.314 -1.889 9.977 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.728 -2.516 11.182 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.238 -3.596 11.790 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.347 -4.173 11.310 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -15.639 -4.097 12.879 1.00 0.00 N ATOM 0 H ARG A 76 -13.765 1.044 7.436 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.128 -1.726 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.811 0.731 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.668 -0.783 7.753 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.400 -0.941 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.670 0.162 10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.330 -1.555 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.380 -2.621 9.172 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.883 -2.100 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.803 -3.791 10.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.735 -4.995 11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.795 -3.656 13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.027 -4.919 13.342 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.022 -0.387 4.846 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.527 -0.645 3.508 1.00 0.00 C ATOM 1199 C LYS A 77 -14.556 -1.569 2.770 1.00 0.00 C ATOM 1200 O LYS A 77 -13.341 -1.439 2.913 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.801 0.670 2.776 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.289 0.413 1.349 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.213 1.536 0.874 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.393 0.975 0.078 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.427 2.015 -0.117 1.00 0.00 N ATOM 0 H LYS A 77 -14.554 0.512 4.959 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.485 -1.162 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.549 1.245 3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.893 1.272 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.434 0.332 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.818 -0.539 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.583 2.096 1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.652 2.236 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.047 0.612 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.821 0.122 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.221 1.618 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.769 2.342 0.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.019 2.817 -0.638 1.00 0.00 H new ATOM 1219 N LYS A 78 -15.128 -2.481 1.998 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.328 -3.426 1.238 1.00 0.00 C ATOM 1221 C LYS A 78 -14.020 -2.834 -0.139 1.00 0.00 C ATOM 1222 O LYS A 78 -14.845 -2.126 -0.714 1.00 0.00 O ATOM 1223 CB LYS A 78 -15.021 -4.789 1.180 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.410 -5.266 2.581 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.921 -5.485 2.685 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.250 -6.538 3.745 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.265 -6.021 4.690 1.00 0.00 N ATOM 0 H LYS A 78 -16.136 -2.586 1.882 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.372 -3.601 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.911 -4.722 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.358 -5.518 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.888 -6.195 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.094 -4.530 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.412 -4.545 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.314 -5.801 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.620 -7.444 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.345 -6.812 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.477 -6.748 5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.898 -5.170 5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.133 -5.782 4.170 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.828 -3.146 -0.628 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.400 -2.654 -1.927 1.00 0.00 C ATOM 1243 C LEU A 79 -13.410 -3.091 -2.991 1.00 0.00 C ATOM 1244 O LEU A 79 -13.640 -2.374 -3.963 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.966 -3.097 -2.221 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.934 -2.796 -1.132 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.554 -3.329 -1.522 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.900 -1.302 -0.806 1.00 0.00 C ATOM 0 H LEU A 79 -12.146 -3.733 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.380 -1.564 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.969 -4.172 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.641 -2.618 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.235 -3.317 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.839 -3.102 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.608 -4.408 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.231 -2.857 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.158 -1.116 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.636 -0.740 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.881 -0.984 -0.454 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.984 -4.264 -2.770 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.963 -4.804 -3.697 1.00 0.00 C ATOM 1262 C ARG A 80 -16.191 -3.894 -3.763 1.00 0.00 C ATOM 1263 O ARG A 80 -16.723 -3.642 -4.843 1.00 0.00 O ATOM 1264 CB ARG A 80 -15.400 -6.210 -3.279 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.707 -7.075 -4.503 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.562 -8.285 -4.119 1.00 0.00 C ATOM 1267 NE ARG A 80 -16.708 -9.190 -5.281 1.00 0.00 N ATOM 1268 CZ ARG A 80 -17.613 -9.023 -6.254 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.459 -7.985 -6.212 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -17.674 -9.895 -7.270 1.00 0.00 N ATOM 0 H ARG A 80 -13.790 -4.856 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.494 -4.858 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.614 -6.678 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.283 -6.146 -2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.229 -6.479 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.775 -7.413 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.100 -8.818 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.544 -7.954 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.080 -9.991 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.414 -7.321 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.148 -7.858 -6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.031 -10.686 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.363 -9.767 -8.011 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.604 -3.426 -2.595 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.759 -2.549 -2.507 1.00 0.00 C ATOM 1286 C ASP A 81 -17.426 -1.206 -3.159 1.00 0.00 C ATOM 1287 O ASP A 81 -18.322 -0.420 -3.465 1.00 0.00 O ATOM 1288 CB ASP A 81 -18.140 -2.284 -1.049 1.00 0.00 C ATOM 1289 CG ASP A 81 -19.597 -1.874 -0.825 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -20.090 -1.065 -1.640 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -20.184 -2.379 0.157 1.00 0.00 O ATOM 0 H ASP A 81 -16.160 -3.637 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.591 -3.037 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.938 -3.183 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.493 -1.499 -0.657 1.00 0.00 H new ATOM 1296 N TYR A 82 -16.134 -0.983 -3.354 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.671 0.251 -3.965 1.00 0.00 C ATOM 1298 C TYR A 82 -15.616 0.122 -5.488 1.00 0.00 C ATOM 1299 O TYR A 82 -15.483 1.120 -6.195 1.00 0.00 O ATOM 1300 CB TYR A 82 -14.255 0.480 -3.433 1.00 0.00 C ATOM 1301 CG TYR A 82 -14.147 1.621 -2.420 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -14.178 2.932 -2.852 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -14.018 1.341 -1.075 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.076 4.006 -1.899 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.916 2.415 -0.122 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.950 3.695 -0.581 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.854 4.710 0.320 1.00 0.00 O ATOM 0 H TYR A 82 -15.394 -1.637 -3.099 1.00 0.00 H new ATOM 0 HA TYR A 82 -16.345 1.073 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.900 -0.440 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.592 0.689 -4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.279 3.152 -3.905 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.994 0.316 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.099 5.036 -2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.815 2.209 0.933 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.300 5.427 -0.053 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.722 -1.115 -5.949 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.687 -1.387 -7.376 1.00 0.00 C ATOM 1319 C GLY A 83 -14.327 -1.952 -7.793 1.00 0.00 C ATOM 1320 O GLY A 83 -14.086 -2.192 -8.975 1.00 0.00 O ATOM 0 H GLY A 83 -15.832 -1.940 -5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -16.474 -2.096 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.889 -0.470 -7.930 1.00 0.00 H new ATOM 1324 N ILE A 84 -13.473 -2.147 -6.798 1.00 0.00 N ATOM 1325 CA ILE A 84 -12.144 -2.679 -7.047 1.00 0.00 C ATOM 1326 C ILE A 84 -12.197 -4.208 -7.013 1.00 0.00 C ATOM 1327 O ILE A 84 -13.051 -4.788 -6.346 1.00 0.00 O ATOM 1328 CB ILE A 84 -11.135 -2.077 -6.068 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -11.163 -0.548 -6.121 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.731 -2.632 -6.316 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.353 0.057 -4.973 1.00 0.00 C ATOM 0 H ILE A 84 -13.676 -1.946 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.799 -2.394 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.424 -2.370 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.760 -0.207 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -12.194 -0.198 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.033 -2.187 -5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.740 -3.714 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.418 -2.390 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.390 1.145 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.774 -0.267 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.317 -0.275 -5.044 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.272 -4.816 -7.742 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.202 -6.266 -7.804 1.00 0.00 C ATOM 1345 C ARG A 85 -9.770 -6.716 -8.100 1.00 0.00 C ATOM 1346 O ARG A 85 -8.857 -5.894 -8.161 1.00 0.00 O ATOM 1347 CB ARG A 85 -12.136 -6.816 -8.883 1.00 0.00 C ATOM 1348 CG ARG A 85 -12.126 -5.923 -10.125 1.00 0.00 C ATOM 1349 CD ARG A 85 -10.726 -5.854 -10.739 1.00 0.00 C ATOM 1350 NE ARG A 85 -10.772 -5.115 -12.021 1.00 0.00 N ATOM 1351 CZ ARG A 85 -11.141 -5.660 -13.189 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -11.498 -6.950 -13.243 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -11.152 -4.914 -14.302 1.00 0.00 N ATOM 0 H ARG A 85 -10.565 -4.331 -8.294 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.515 -6.655 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.829 -7.826 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.150 -6.886 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -12.831 -6.309 -10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.460 -4.920 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -10.041 -5.360 -10.049 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.342 -6.861 -10.903 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.507 -4.130 -12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.489 -7.518 -12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.779 -7.365 -14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.880 -3.932 -14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.433 -5.328 -15.191 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.618 -8.020 -8.275 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.313 -8.590 -8.564 1.00 0.00 C ATOM 1369 C ASN A 86 -7.601 -7.723 -9.605 1.00 0.00 C ATOM 1370 O ASN A 86 -8.246 -6.980 -10.344 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.442 -10.003 -9.134 1.00 0.00 C ATOM 1372 CG ASN A 86 -7.087 -10.527 -9.614 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -6.163 -10.732 -8.844 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.020 -10.731 -10.927 1.00 0.00 N ATOM 0 H ASN A 86 -10.377 -8.699 -8.222 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.749 -8.628 -7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.845 -10.671 -8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -9.150 -10.001 -9.963 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.158 -11.079 -11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.831 -10.539 -11.515 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.282 -7.846 -9.630 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.477 -7.084 -10.568 1.00 0.00 C ATOM 1383 C ARG A 87 -6.056 -5.678 -10.744 1.00 0.00 C ATOM 1384 O ARG A 87 -6.556 -5.339 -11.815 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.415 -7.777 -11.931 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.136 -8.605 -12.066 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.988 -9.157 -13.486 1.00 0.00 C ATOM 1388 NE ARG A 87 -3.105 -10.345 -13.477 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.988 -11.201 -14.502 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -3.696 -11.006 -15.622 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -2.162 -12.252 -14.405 1.00 0.00 N ATOM 0 H ARG A 87 -5.751 -8.463 -9.015 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.468 -7.017 -10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.285 -8.422 -12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.455 -7.031 -12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.272 -7.988 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.154 -9.428 -11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.967 -9.424 -13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.574 -8.391 -14.142 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.551 -10.523 -12.639 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.324 -10.206 -15.695 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.607 -11.658 -16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.623 -12.400 -13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.072 -12.904 -15.184 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.968 -4.899 -9.676 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.477 -3.538 -9.699 1.00 0.00 C ATOM 1407 C ASP A 88 -5.303 -2.558 -9.650 1.00 0.00 C ATOM 1408 O ASP A 88 -4.328 -2.787 -8.934 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.373 -3.264 -8.490 1.00 0.00 C ATOM 1410 CG ASP A 88 -6.856 -3.823 -7.163 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -6.533 -5.031 -7.143 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -6.796 -3.031 -6.198 1.00 0.00 O ATOM 0 H ASP A 88 -5.552 -5.184 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.057 -3.411 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.501 -2.186 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.359 -3.685 -8.685 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.434 -1.487 -10.419 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.396 -0.472 -10.471 1.00 0.00 C ATOM 1419 C GLU A 89 -4.720 0.669 -9.505 1.00 0.00 C ATOM 1420 O GLU A 89 -5.663 1.427 -9.727 1.00 0.00 O ATOM 1421 CB GLU A 89 -4.214 0.052 -11.897 1.00 0.00 C ATOM 1422 CG GLU A 89 -3.578 -1.011 -12.795 1.00 0.00 C ATOM 1423 CD GLU A 89 -3.085 -0.397 -14.107 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -3.936 -0.218 -15.005 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -1.868 -0.122 -14.182 1.00 0.00 O ATOM 0 H GLU A 89 -6.243 -1.300 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.455 -0.926 -10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.180 0.348 -12.306 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.587 0.944 -11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.744 -1.481 -12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.305 -1.795 -13.007 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.920 0.755 -8.452 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.110 1.791 -7.451 1.00 0.00 C ATOM 1434 C VAL A 90 -2.861 2.673 -7.392 1.00 0.00 C ATOM 1435 O VAL A 90 -1.759 2.214 -7.687 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.459 1.158 -6.102 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.154 2.117 -4.950 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.921 0.709 -6.069 1.00 0.00 C ATOM 0 H VAL A 90 -3.139 0.124 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.949 2.433 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.834 0.274 -5.976 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.411 1.642 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.093 2.365 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.740 3.028 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.143 0.263 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.570 1.570 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.094 -0.026 -6.855 1.00 0.00 H new ATOM 1448 N SER A 91 -3.076 3.923 -7.009 1.00 0.00 N ATOM 1449 CA SER A 91 -1.981 4.873 -6.908 1.00 0.00 C ATOM 1450 C SER A 91 -2.173 5.763 -5.679 1.00 0.00 C ATOM 1451 O SER A 91 -3.277 5.862 -5.146 1.00 0.00 O ATOM 1452 CB SER A 91 -1.875 5.728 -8.172 1.00 0.00 C ATOM 1453 OG SER A 91 -2.341 5.035 -9.326 1.00 0.00 O ATOM 0 H SER A 91 -3.992 4.300 -6.765 1.00 0.00 H new ATOM 0 HA SER A 91 -1.051 4.314 -6.802 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.453 6.643 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.837 6.026 -8.322 1.00 0.00 H new ATOM 0 HG SER A 91 -2.258 5.615 -10.112 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.081 6.389 -5.264 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.116 7.269 -4.108 1.00 0.00 C ATOM 1461 C PHE A 92 -1.465 8.701 -4.519 1.00 0.00 C ATOM 1462 O PHE A 92 -1.042 9.168 -5.575 1.00 0.00 O ATOM 1463 CB PHE A 92 0.285 7.254 -3.493 1.00 0.00 C ATOM 1464 CG PHE A 92 0.430 6.311 -2.297 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.188 6.605 -1.121 1.00 0.00 C ATOM 1466 CD2 PHE A 92 1.176 5.180 -2.409 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.054 5.730 -0.011 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.311 4.305 -1.299 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.693 4.598 -0.123 1.00 0.00 C ATOM 0 H PHE A 92 -0.167 6.304 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.874 6.928 -3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.004 6.965 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.543 8.265 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.780 7.504 -1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.666 4.947 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.545 5.963 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.904 3.407 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.795 3.932 0.721 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.233 9.357 -3.661 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.644 10.727 -3.921 1.00 0.00 C ATOM 1481 C ILE A 93 -2.250 11.607 -2.734 1.00 0.00 C ATOM 1482 O ILE A 93 -2.035 11.107 -1.630 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.134 10.783 -4.262 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.594 12.227 -4.474 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -4.968 10.067 -3.197 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.964 12.272 -5.154 1.00 0.00 C ATOM 0 H ILE A 93 -2.581 8.966 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.126 11.121 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.289 10.254 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.643 12.741 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.864 12.759 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.023 10.122 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.663 9.022 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.813 10.546 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.267 13.310 -5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.905 11.778 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.697 11.760 -4.530 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.168 12.902 -2.999 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.804 13.857 -1.966 1.00 0.00 C ATOM 1500 C LYS A 94 -3.037 14.675 -1.577 1.00 0.00 C ATOM 1501 O LYS A 94 -3.740 15.195 -2.442 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.618 14.710 -2.419 1.00 0.00 C ATOM 1503 CG LYS A 94 0.060 15.384 -1.224 1.00 0.00 C ATOM 1504 CD LYS A 94 0.048 16.906 -1.374 1.00 0.00 C ATOM 1505 CE LYS A 94 0.941 17.568 -0.322 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.546 18.806 -0.861 1.00 0.00 N ATOM 0 H LYS A 94 -2.348 13.313 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.469 13.338 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.103 14.086 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.959 15.468 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.452 15.102 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.088 15.032 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.391 17.179 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.972 17.277 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.355 17.800 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.726 16.876 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.149 19.243 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.122 18.576 -1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.793 19.471 -1.132 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.262 14.763 -0.274 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.398 15.509 0.240 1.00 0.00 C ATOM 1522 C LYS A 95 -4.508 16.841 -0.504 1.00 0.00 C ATOM 1523 O LYS A 95 -3.538 17.302 -1.106 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.296 15.661 1.759 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.457 14.309 2.457 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.434 14.411 3.631 1.00 0.00 C ATOM 1527 CE LYS A 95 -6.872 14.580 3.134 1.00 0.00 C ATOM 1528 NZ LYS A 95 -7.830 14.390 4.246 1.00 0.00 N ATOM 0 H LYS A 95 -2.677 14.330 0.441 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.324 14.964 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.332 16.097 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.063 16.350 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.817 13.568 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.487 13.963 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.361 13.515 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.162 15.256 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.999 15.573 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.077 13.859 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.801 14.508 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.719 13.434 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.644 15.094 4.988 1.00 0.00 H new