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 63 TYR OH : rot 180:sc= 0.0399 USER MOD Set 1.2: A 94 LYS NZ :NH3+ -111:sc= 0.0331 (180deg=0) 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 USER MOD Single : A 14 LYS NZ :NH3+ -141:sc= 0.0826 (180deg=0) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.903 (180deg=-2.08!) USER MOD Single : A 26 GLN : amide:sc=-0.00966 X(o=-0.0097,f=-0.18) USER MOD Single : A 27 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 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= -0.809 X(o=-0.81,f=-0.64) USER MOD Single : A 40 TYR OH : rot 130:sc= -1.17 USER MOD Single : A 42 GLN : amide:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.8) 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 120:sc= 0.353 USER MOD Single : A 64 HIS : no HE2:sc= -0.664 K(o=-0.66,f=-2.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0127 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 92:sc= 0.0822 USER MOD Single : A 86 ASN : amide:sc= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.239 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -6.223 -14.287 -3.223 1.00 0.00 N ATOM 60 CA GLY A 7 -5.968 -12.861 -3.105 1.00 0.00 C ATOM 61 C GLY A 7 -5.849 -12.210 -4.485 1.00 0.00 C ATOM 62 O GLY A 7 -6.304 -12.770 -5.481 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.775 -12.389 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.050 -12.697 -2.541 1.00 0.00 H new ATOM 66 N MET A 8 -5.234 -11.036 -4.499 1.00 0.00 N ATOM 67 CA MET A 8 -5.049 -10.303 -5.739 1.00 0.00 C ATOM 68 C MET A 8 -3.730 -9.528 -5.727 1.00 0.00 C ATOM 69 O MET A 8 -3.025 -9.512 -4.719 1.00 0.00 O ATOM 70 CB MET A 8 -6.213 -9.328 -5.934 1.00 0.00 C ATOM 71 CG MET A 8 -6.665 -8.740 -4.596 1.00 0.00 C ATOM 72 SD MET A 8 -7.108 -7.024 -4.802 1.00 0.00 S ATOM 73 CE MET A 8 -8.841 -7.097 -4.380 1.00 0.00 C ATOM 0 H MET A 8 -4.858 -10.575 -3.671 1.00 0.00 H new ATOM 0 HA MET A 8 -5.020 -11.018 -6.561 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.910 -8.524 -6.605 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.048 -9.843 -6.410 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.517 -9.301 -4.212 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.866 -8.832 -3.860 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.277 -6.101 -4.457 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.354 -7.772 -5.065 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.952 -7.463 -3.359 1.00 0.00 H new ATOM 83 N THR A 9 -3.437 -8.904 -6.859 1.00 0.00 N ATOM 84 CA THR A 9 -2.215 -8.129 -6.991 1.00 0.00 C ATOM 85 C THR A 9 -2.541 -6.671 -7.318 1.00 0.00 C ATOM 86 O THR A 9 -2.743 -6.322 -8.480 1.00 0.00 O ATOM 87 CB THR A 9 -1.337 -8.807 -8.045 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.623 -9.801 -7.316 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.243 -7.880 -8.580 1.00 0.00 C ATOM 0 H THR A 9 -4.025 -8.919 -7.693 1.00 0.00 H new ATOM 0 HA THR A 9 -1.660 -8.102 -6.053 1.00 0.00 H new ATOM 0 HB THR A 9 -1.961 -9.148 -8.871 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.030 -10.290 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.351 -8.410 -9.324 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.701 -7.003 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.401 -7.565 -7.759 1.00 0.00 H new ATOM 97 N VAL A 10 -2.582 -5.858 -6.272 1.00 0.00 N ATOM 98 CA VAL A 10 -2.880 -4.445 -6.434 1.00 0.00 C ATOM 99 C VAL A 10 -1.585 -3.686 -6.728 1.00 0.00 C ATOM 100 O VAL A 10 -0.661 -3.689 -5.916 1.00 0.00 O ATOM 101 CB VAL A 10 -3.613 -3.920 -5.198 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.750 -2.397 -5.247 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.981 -4.590 -5.047 1.00 0.00 C ATOM 0 H VAL A 10 -2.414 -6.151 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.547 -4.290 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.017 -4.174 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.275 -2.050 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.759 -1.944 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.314 -2.111 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.482 -4.199 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.588 -4.381 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.849 -5.667 -4.944 1.00 0.00 H new ATOM 113 N ARG A 11 -1.559 -3.052 -7.892 1.00 0.00 N ATOM 114 CA ARG A 11 -0.392 -2.290 -8.303 1.00 0.00 C ATOM 115 C ARG A 11 -0.535 -0.829 -7.873 1.00 0.00 C ATOM 116 O ARG A 11 -1.343 -0.089 -8.433 1.00 0.00 O ATOM 117 CB ARG A 11 -0.201 -2.352 -9.820 1.00 0.00 C ATOM 118 CG ARG A 11 0.502 -3.648 -10.231 1.00 0.00 C ATOM 119 CD ARG A 11 0.294 -3.935 -11.720 1.00 0.00 C ATOM 120 NE ARG A 11 1.518 -4.535 -12.295 1.00 0.00 N ATOM 121 CZ ARG A 11 2.590 -3.830 -12.684 1.00 0.00 C ATOM 122 NH1 ARG A 11 2.594 -2.496 -12.562 1.00 0.00 N ATOM 123 NH2 ARG A 11 3.656 -4.460 -13.195 1.00 0.00 N ATOM 0 H ARG A 11 -2.327 -3.051 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 11 0.480 -2.731 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.170 -2.287 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.385 -1.495 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.568 -3.572 -10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.117 -4.479 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.550 -4.611 -11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.050 -3.012 -12.246 1.00 0.00 H new ATOM 0 HE ARG A 11 1.548 -5.549 -12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.782 -2.017 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.409 -1.959 -12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.652 -5.476 -13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.472 -3.924 -13.491 1.00 0.00 H new ATOM 137 N VAL A 12 0.263 -0.456 -6.883 1.00 0.00 N ATOM 138 CA VAL A 12 0.236 0.904 -6.372 1.00 0.00 C ATOM 139 C VAL A 12 0.918 1.836 -7.376 1.00 0.00 C ATOM 140 O VAL A 12 1.970 1.505 -7.920 1.00 0.00 O ATOM 141 CB VAL A 12 0.874 0.953 -4.982 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.156 2.397 -4.559 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.003 0.240 -3.951 1.00 0.00 C ATOM 0 H VAL A 12 0.932 -1.072 -6.421 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.792 1.248 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 12 1.827 0.427 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.609 2.404 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.838 2.859 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.222 2.958 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.473 0.289 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.978 0.725 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.130 -0.803 -4.240 1.00 0.00 H new ATOM 153 N CYS A 13 0.290 2.982 -7.592 1.00 0.00 N ATOM 154 CA CYS A 13 0.823 3.964 -8.521 1.00 0.00 C ATOM 155 C CYS A 13 1.402 5.126 -7.712 1.00 0.00 C ATOM 156 O CYS A 13 0.762 6.166 -7.568 1.00 0.00 O ATOM 157 CB CYS A 13 -0.239 4.435 -9.517 1.00 0.00 C ATOM 158 SG CYS A 13 0.461 4.469 -11.208 1.00 0.00 S ATOM 0 H CYS A 13 -0.583 3.253 -7.140 1.00 0.00 H new ATOM 0 HA CYS A 13 1.613 3.511 -9.120 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.101 3.769 -9.485 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.593 5.428 -9.241 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.449 4.868 -12.046 1.00 0.00 H new ATOM 164 N LYS A 14 2.607 4.911 -7.206 1.00 0.00 N ATOM 165 CA LYS A 14 3.280 5.927 -6.416 1.00 0.00 C ATOM 166 C LYS A 14 3.256 7.256 -7.174 1.00 0.00 C ATOM 167 O LYS A 14 2.755 7.325 -8.296 1.00 0.00 O ATOM 168 CB LYS A 14 4.687 5.464 -6.031 1.00 0.00 C ATOM 169 CG LYS A 14 4.705 4.882 -4.617 1.00 0.00 C ATOM 170 CD LYS A 14 6.123 4.880 -4.043 1.00 0.00 C ATOM 171 CE LYS A 14 7.007 3.864 -4.769 1.00 0.00 C ATOM 172 NZ LYS A 14 7.952 3.229 -3.824 1.00 0.00 N ATOM 0 H LYS A 14 3.135 4.047 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 14 2.754 6.087 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.034 4.714 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.379 6.304 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.048 5.465 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.314 3.865 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.557 5.876 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.088 4.643 -2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.385 3.101 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.560 4.359 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.875 3.105 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.063 3.834 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.583 2.301 -3.535 1.00 0.00 H new ATOM 237 N VAL A 19 5.890 1.103 -9.227 1.00 0.00 N ATOM 238 CA VAL A 19 4.705 0.400 -8.765 1.00 0.00 C ATOM 239 C VAL A 19 5.125 -0.760 -7.861 1.00 0.00 C ATOM 240 O VAL A 19 6.166 -1.378 -8.081 1.00 0.00 O ATOM 241 CB VAL A 19 3.863 -0.048 -9.961 1.00 0.00 C ATOM 242 CG1 VAL A 19 2.711 -0.949 -9.513 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.344 1.157 -10.748 1.00 0.00 C ATOM 0 HA VAL A 19 4.075 1.062 -8.171 1.00 0.00 H new ATOM 0 HB VAL A 19 4.504 -0.629 -10.624 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.128 -1.253 -10.382 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.112 -1.833 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.071 -0.403 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.749 0.811 -11.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.726 1.777 -10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.187 1.743 -11.114 1.00 0.00 H new ATOM 253 N MET A 20 4.294 -1.022 -6.862 1.00 0.00 N ATOM 254 CA MET A 20 4.566 -2.097 -5.924 1.00 0.00 C ATOM 255 C MET A 20 3.412 -3.101 -5.891 1.00 0.00 C ATOM 256 O MET A 20 2.272 -2.733 -5.611 1.00 0.00 O ATOM 257 CB MET A 20 4.776 -1.514 -4.525 1.00 0.00 C ATOM 258 CG MET A 20 6.256 -1.222 -4.270 1.00 0.00 C ATOM 259 SD MET A 20 6.423 -0.018 -2.962 1.00 0.00 S ATOM 260 CE MET A 20 5.006 -0.445 -1.964 1.00 0.00 C ATOM 0 H MET A 20 3.432 -0.508 -6.682 1.00 0.00 H new ATOM 0 HA MET A 20 5.467 -2.618 -6.249 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.197 -0.597 -4.419 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.405 -2.214 -3.776 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.775 -2.141 -3.998 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.724 -0.849 -5.181 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.108 0.004 -0.976 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.100 -0.071 -2.440 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.944 -1.529 -1.866 1.00 0.00 H new ATOM 270 N PRO A 21 3.756 -4.383 -6.188 1.00 0.00 N ATOM 271 CA PRO A 21 2.762 -5.442 -6.195 1.00 0.00 C ATOM 272 C PRO A 21 2.375 -5.840 -4.769 1.00 0.00 C ATOM 273 O PRO A 21 3.162 -6.463 -4.059 1.00 0.00 O ATOM 274 CB PRO A 21 3.403 -6.578 -6.975 1.00 0.00 C ATOM 275 CG PRO A 21 4.896 -6.293 -6.976 1.00 0.00 C ATOM 276 CD PRO A 21 5.096 -4.855 -6.524 1.00 0.00 C ATOM 0 HA PRO A 21 1.825 -5.136 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.189 -7.540 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.013 -6.622 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.416 -6.979 -6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.312 -6.442 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.763 -4.799 -5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.543 -4.250 -7.313 1.00 0.00 H new ATOM 284 N VAL A 22 1.161 -5.464 -4.392 1.00 0.00 N ATOM 285 CA VAL A 22 0.660 -5.773 -3.064 1.00 0.00 C ATOM 286 C VAL A 22 -0.334 -6.933 -3.156 1.00 0.00 C ATOM 287 O VAL A 22 -1.058 -7.057 -4.143 1.00 0.00 O ATOM 288 CB VAL A 22 0.058 -4.519 -2.427 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.453 -4.814 -1.015 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.068 -3.371 -2.416 1.00 0.00 C ATOM 0 H VAL A 22 0.510 -4.948 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 22 1.474 -6.093 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.793 -4.210 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.876 -3.907 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.221 -5.586 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.373 -5.159 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.615 -2.492 -1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.948 -3.666 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.363 -3.136 -3.439 1.00 0.00 H new ATOM 300 N VAL A 23 -0.336 -7.753 -2.115 1.00 0.00 N ATOM 301 CA VAL A 23 -1.228 -8.898 -2.066 1.00 0.00 C ATOM 302 C VAL A 23 -2.242 -8.701 -0.938 1.00 0.00 C ATOM 303 O VAL A 23 -1.892 -8.219 0.139 1.00 0.00 O ATOM 304 CB VAL A 23 -0.417 -10.188 -1.923 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.324 -11.368 -1.569 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.385 -10.475 -3.194 1.00 0.00 C ATOM 0 H VAL A 23 0.266 -7.647 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.789 -8.985 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 23 0.290 -10.051 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.723 -12.273 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.831 -11.167 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.065 -11.506 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.952 -11.397 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.297 -10.583 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.072 -9.650 -3.385 1.00 0.00 H new ATOM 316 N VAL A 24 -3.478 -9.084 -1.222 1.00 0.00 N ATOM 317 CA VAL A 24 -4.545 -8.955 -0.245 1.00 0.00 C ATOM 318 C VAL A 24 -5.571 -10.069 -0.465 1.00 0.00 C ATOM 319 O VAL A 24 -5.445 -10.857 -1.402 1.00 0.00 O ATOM 320 CB VAL A 24 -5.158 -7.555 -0.320 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.269 -6.529 0.384 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.421 -7.149 -1.771 1.00 0.00 C ATOM 0 H VAL A 24 -3.764 -9.484 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.152 -9.070 0.765 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.116 -7.580 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.728 -5.543 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.155 -6.805 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.290 -6.507 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.857 -6.150 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.482 -7.149 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.112 -7.858 -2.228 1.00 0.00 H new ATOM 332 N VAL A 25 -6.562 -10.100 0.412 1.00 0.00 N ATOM 333 CA VAL A 25 -7.609 -11.104 0.325 1.00 0.00 C ATOM 334 C VAL A 25 -8.616 -10.693 -0.751 1.00 0.00 C ATOM 335 O VAL A 25 -8.891 -9.508 -0.928 1.00 0.00 O ATOM 336 CB VAL A 25 -8.252 -11.310 1.698 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.250 -11.906 2.689 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.839 -10.002 2.231 1.00 0.00 C ATOM 0 H VAL A 25 -6.663 -9.445 1.188 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.191 -12.066 0.029 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.070 -12.021 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.733 -12.042 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.901 -12.870 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.401 -11.231 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.290 -10.177 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.047 -9.259 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.599 -9.637 1.541 1.00 0.00 H new ATOM 348 N GLN A 26 -9.137 -11.696 -1.442 1.00 0.00 N ATOM 349 CA GLN A 26 -10.108 -11.454 -2.496 1.00 0.00 C ATOM 350 C GLN A 26 -11.132 -10.411 -2.045 1.00 0.00 C ATOM 351 O GLN A 26 -11.716 -9.712 -2.871 1.00 0.00 O ATOM 352 CB GLN A 26 -10.797 -12.754 -2.916 1.00 0.00 C ATOM 353 CG GLN A 26 -10.339 -13.192 -4.308 1.00 0.00 C ATOM 354 CD GLN A 26 -11.263 -14.272 -4.875 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.477 -14.144 -4.886 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.624 -15.340 -5.343 1.00 0.00 N ATOM 0 H GLN A 26 -8.905 -12.678 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.581 -11.064 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.574 -13.538 -2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.878 -12.615 -2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.325 -12.332 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.319 -13.572 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.606 -15.383 -5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.152 -16.116 -5.742 1.00 0.00 H new ATOM 365 N ASN A 27 -11.319 -10.340 -0.735 1.00 0.00 N ATOM 366 CA ASN A 27 -12.263 -9.394 -0.164 1.00 0.00 C ATOM 367 C ASN A 27 -11.566 -8.580 0.928 1.00 0.00 C ATOM 368 O ASN A 27 -11.918 -8.681 2.102 1.00 0.00 O ATOM 369 CB ASN A 27 -13.452 -10.118 0.472 1.00 0.00 C ATOM 370 CG ASN A 27 -12.982 -11.118 1.530 1.00 0.00 C ATOM 371 OD1 ASN A 27 -12.872 -10.811 2.706 1.00 0.00 O ATOM 372 ND2 ASN A 27 -12.712 -12.328 1.049 1.00 0.00 N ATOM 0 H ASN A 27 -10.833 -10.922 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.621 -8.749 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.124 -9.391 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.020 -10.639 -0.299 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.391 -13.066 1.676 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.825 -12.518 0.053 1.00 0.00 H new ATOM 379 N ALA A 28 -10.590 -7.792 0.502 1.00 0.00 N ATOM 380 CA ALA A 28 -9.840 -6.962 1.429 1.00 0.00 C ATOM 381 C ALA A 28 -10.495 -5.582 1.515 1.00 0.00 C ATOM 382 O ALA A 28 -11.471 -5.310 0.818 1.00 0.00 O ATOM 383 CB ALA A 28 -8.379 -6.886 0.980 1.00 0.00 C ATOM 0 H ALA A 28 -10.301 -7.711 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.852 -7.396 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.817 -6.263 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.951 -7.888 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.327 -6.452 -0.019 1.00 0.00 H new ATOM 389 N THR A 29 -9.932 -4.748 2.377 1.00 0.00 N ATOM 390 CA THR A 29 -10.450 -3.403 2.563 1.00 0.00 C ATOM 391 C THR A 29 -9.314 -2.380 2.497 1.00 0.00 C ATOM 392 O THR A 29 -8.167 -2.738 2.234 1.00 0.00 O ATOM 393 CB THR A 29 -11.219 -3.371 3.885 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.226 -3.640 4.872 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.201 -4.537 4.019 1.00 0.00 C ATOM 0 H THR A 29 -9.123 -4.977 2.954 1.00 0.00 H new ATOM 0 HA THR A 29 -11.138 -3.131 1.763 1.00 0.00 H new ATOM 0 HB THR A 29 -11.760 -2.428 3.967 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.639 -3.636 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.721 -4.467 4.975 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.927 -4.496 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.656 -5.479 3.971 1.00 0.00 H new ATOM 403 N VAL A 30 -9.672 -1.128 2.741 1.00 0.00 N ATOM 404 CA VAL A 30 -8.697 -0.051 2.712 1.00 0.00 C ATOM 405 C VAL A 30 -7.588 -0.346 3.724 1.00 0.00 C ATOM 406 O VAL A 30 -6.412 -0.121 3.445 1.00 0.00 O ATOM 407 CB VAL A 30 -9.391 1.290 2.959 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.379 2.437 2.972 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.488 1.538 1.922 1.00 0.00 C ATOM 0 H VAL A 30 -10.624 -0.835 2.960 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.231 0.016 1.729 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.862 1.248 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.899 3.379 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.650 2.270 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.866 2.481 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.966 2.498 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.049 1.550 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.232 0.743 1.982 1.00 0.00 H new ATOM 419 N LEU A 31 -8.003 -0.845 4.879 1.00 0.00 N ATOM 420 CA LEU A 31 -7.060 -1.173 5.934 1.00 0.00 C ATOM 421 C LEU A 31 -6.025 -2.164 5.398 1.00 0.00 C ATOM 422 O LEU A 31 -4.841 -1.843 5.307 1.00 0.00 O ATOM 423 CB LEU A 31 -7.799 -1.669 7.179 1.00 0.00 C ATOM 424 CG LEU A 31 -7.044 -1.540 8.504 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.343 -0.183 8.605 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.974 -1.794 9.692 1.00 0.00 C ATOM 0 H LEU A 31 -8.980 -1.030 5.107 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.516 -0.282 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.737 -1.120 7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.056 -2.718 7.031 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.269 -2.306 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.814 -0.117 9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.632 -0.079 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.084 0.614 8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.412 -1.696 10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.786 -1.067 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.387 -2.800 9.622 1.00 0.00 H new ATOM 438 N ASP A 32 -6.509 -3.349 5.056 1.00 0.00 N ATOM 439 CA ASP A 32 -5.641 -4.389 4.531 1.00 0.00 C ATOM 440 C ASP A 32 -4.649 -3.769 3.545 1.00 0.00 C ATOM 441 O ASP A 32 -3.440 -3.958 3.675 1.00 0.00 O ATOM 442 CB ASP A 32 -6.447 -5.454 3.784 1.00 0.00 C ATOM 443 CG ASP A 32 -6.085 -6.900 4.130 1.00 0.00 C ATOM 444 OD1 ASP A 32 -6.175 -7.236 5.330 1.00 0.00 O ATOM 445 OD2 ASP A 32 -5.726 -7.636 3.185 1.00 0.00 O ATOM 0 H ASP A 32 -7.492 -3.612 5.132 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.123 -4.852 5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.506 -5.300 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.309 -5.307 2.713 1.00 0.00 H new ATOM 450 N LEU A 33 -5.196 -3.043 2.582 1.00 0.00 N ATOM 451 CA LEU A 33 -4.374 -2.394 1.575 1.00 0.00 C ATOM 452 C LEU A 33 -3.097 -1.863 2.229 1.00 0.00 C ATOM 453 O LEU A 33 -2.013 -2.404 2.014 1.00 0.00 O ATOM 454 CB LEU A 33 -5.177 -1.322 0.836 1.00 0.00 C ATOM 455 CG LEU A 33 -4.723 -1.008 -0.591 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.324 -0.388 -0.597 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.802 -2.251 -1.479 1.00 0.00 C ATOM 0 H LEU A 33 -6.199 -2.890 2.477 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.068 -3.112 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.220 -1.636 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.139 -0.402 1.419 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.405 -0.269 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.025 -0.174 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.334 0.538 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.615 -1.085 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.474 -1.999 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.158 -3.031 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.831 -2.610 -1.511 1.00 0.00 H new ATOM 469 N LYS A 34 -3.267 -0.810 3.016 1.00 0.00 N ATOM 470 CA LYS A 34 -2.141 -0.200 3.703 1.00 0.00 C ATOM 471 C LYS A 34 -1.348 -1.285 4.436 1.00 0.00 C ATOM 472 O LYS A 34 -0.139 -1.410 4.245 1.00 0.00 O ATOM 473 CB LYS A 34 -2.620 0.932 4.614 1.00 0.00 C ATOM 474 CG LYS A 34 -3.229 2.073 3.796 1.00 0.00 C ATOM 475 CD LYS A 34 -4.615 2.448 4.324 1.00 0.00 C ATOM 476 CE LYS A 34 -4.579 3.792 5.054 1.00 0.00 C ATOM 477 NZ LYS A 34 -4.603 3.587 6.519 1.00 0.00 N ATOM 0 H LYS A 34 -4.167 -0.364 3.193 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.462 0.263 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.359 0.549 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.784 1.308 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.574 2.943 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.303 1.776 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.322 2.499 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.972 1.672 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.681 4.341 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.432 4.400 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.578 4.509 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.472 3.082 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.775 3.026 6.805 1.00 0.00 H new ATOM 491 N LYS A 35 -2.061 -2.041 5.257 1.00 0.00 N ATOM 492 CA LYS A 35 -1.438 -3.110 6.019 1.00 0.00 C ATOM 493 C LYS A 35 -0.477 -3.883 5.113 1.00 0.00 C ATOM 494 O LYS A 35 0.677 -4.108 5.475 1.00 0.00 O ATOM 495 CB LYS A 35 -2.503 -3.989 6.678 1.00 0.00 C ATOM 496 CG LYS A 35 -3.245 -3.223 7.775 1.00 0.00 C ATOM 497 CD LYS A 35 -3.964 -4.183 8.724 1.00 0.00 C ATOM 498 CE LYS A 35 -3.659 -3.842 10.184 1.00 0.00 C ATOM 499 NZ LYS A 35 -4.134 -4.921 11.079 1.00 0.00 N ATOM 0 H LYS A 35 -3.064 -1.935 5.411 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.846 -2.700 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.213 -4.332 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.035 -4.877 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.539 -2.611 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.968 -2.543 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.039 -4.133 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.655 -5.207 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.586 -3.700 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.140 -2.901 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.919 -4.673 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.161 -5.038 10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.656 -5.811 10.834 1.00 0.00 H new ATOM 513 N ALA A 36 -0.989 -4.269 3.954 1.00 0.00 N ATOM 514 CA ALA A 36 -0.191 -5.012 2.994 1.00 0.00 C ATOM 515 C ALA A 36 1.016 -4.168 2.579 1.00 0.00 C ATOM 516 O ALA A 36 2.153 -4.499 2.912 1.00 0.00 O ATOM 517 CB ALA A 36 -1.064 -5.407 1.801 1.00 0.00 C ATOM 0 H ALA A 36 -1.947 -4.081 3.658 1.00 0.00 H new ATOM 0 HA ALA A 36 0.187 -5.932 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.465 -5.964 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.890 -6.029 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.459 -4.509 1.326 1.00 0.00 H new ATOM 523 N ILE A 37 0.727 -3.094 1.858 1.00 0.00 N ATOM 524 CA ILE A 37 1.775 -2.201 1.394 1.00 0.00 C ATOM 525 C ILE A 37 2.830 -2.046 2.491 1.00 0.00 C ATOM 526 O ILE A 37 4.014 -1.880 2.200 1.00 0.00 O ATOM 527 CB ILE A 37 1.177 -0.873 0.925 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.281 -1.077 -0.299 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.274 0.161 0.665 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.552 0.174 -0.583 1.00 0.00 C ATOM 0 H ILE A 37 -0.217 -2.823 1.584 1.00 0.00 H new ATOM 0 HA ILE A 37 2.278 -2.624 0.524 1.00 0.00 H new ATOM 0 HB ILE A 37 0.548 -0.481 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.895 -1.315 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.379 -1.928 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.822 1.096 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.835 0.335 1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.948 -0.210 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.180 0.002 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.182 0.395 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.112 1.018 -0.773 1.00 0.00 H new ATOM 542 N GLN A 38 2.364 -2.106 3.730 1.00 0.00 N ATOM 543 CA GLN A 38 3.252 -1.975 4.872 1.00 0.00 C ATOM 544 C GLN A 38 4.023 -3.278 5.097 1.00 0.00 C ATOM 545 O GLN A 38 5.246 -3.264 5.232 1.00 0.00 O ATOM 546 CB GLN A 38 2.476 -1.573 6.127 1.00 0.00 C ATOM 547 CG GLN A 38 2.640 -0.080 6.419 1.00 0.00 C ATOM 548 CD GLN A 38 2.075 0.275 7.796 1.00 0.00 C ATOM 549 OE1 GLN A 38 2.792 0.407 8.774 1.00 0.00 O ATOM 550 NE2 GLN A 38 0.753 0.420 7.817 1.00 0.00 N ATOM 0 H GLN A 38 1.382 -2.244 3.968 1.00 0.00 H new ATOM 0 HA GLN A 38 3.970 -1.183 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.420 -1.808 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.829 -2.155 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.695 0.189 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.130 0.502 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.213 0.295 6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.280 0.656 8.689 1.00 0.00 H new ATOM 559 N ARG A 39 3.276 -4.371 5.130 1.00 0.00 N ATOM 560 CA ARG A 39 3.874 -5.680 5.336 1.00 0.00 C ATOM 561 C ARG A 39 4.734 -6.067 4.131 1.00 0.00 C ATOM 562 O ARG A 39 5.426 -7.083 4.158 1.00 0.00 O ATOM 563 CB ARG A 39 2.801 -6.748 5.552 1.00 0.00 C ATOM 564 CG ARG A 39 3.214 -7.726 6.654 1.00 0.00 C ATOM 565 CD ARG A 39 2.422 -7.474 7.938 1.00 0.00 C ATOM 566 NE ARG A 39 2.742 -6.132 8.475 1.00 0.00 N ATOM 567 CZ ARG A 39 2.150 -5.592 9.548 1.00 0.00 C ATOM 568 NH1 ARG A 39 1.202 -6.274 10.206 1.00 0.00 N ATOM 569 NH2 ARG A 39 2.504 -4.368 9.964 1.00 0.00 N ATOM 0 H ARG A 39 2.262 -4.378 5.018 1.00 0.00 H new ATOM 0 HA ARG A 39 4.498 -5.622 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.857 -6.272 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.632 -7.292 4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.050 -8.749 6.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.280 -7.624 6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.353 -7.549 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.661 -8.237 8.678 1.00 0.00 H new ATOM 0 HE ARG A 39 3.458 -5.584 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.931 -7.205 9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.752 -5.862 11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.224 -3.848 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.053 -3.957 10.781 1.00 0.00 H new ATOM 583 N TYR A 40 4.662 -5.235 3.102 1.00 0.00 N ATOM 584 CA TYR A 40 5.425 -5.478 1.889 1.00 0.00 C ATOM 585 C TYR A 40 6.831 -4.884 1.998 1.00 0.00 C ATOM 586 O TYR A 40 7.800 -5.487 1.539 1.00 0.00 O ATOM 587 CB TYR A 40 4.669 -4.765 0.766 1.00 0.00 C ATOM 588 CG TYR A 40 5.406 -4.760 -0.574 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.501 -3.940 -0.757 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.976 -5.575 -1.602 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.195 -3.935 -2.018 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.670 -5.570 -2.863 1.00 0.00 C ATOM 593 CZ TYR A 40 6.745 -4.751 -3.010 1.00 0.00 C ATOM 594 OH TYR A 40 7.401 -4.746 -4.201 1.00 0.00 O ATOM 0 H TYR A 40 4.087 -4.392 3.083 1.00 0.00 H new ATOM 0 HA TYR A 40 5.530 -6.548 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.699 -5.244 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.477 -3.735 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.837 -3.302 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.119 -6.216 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.053 -3.298 -2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.344 -6.203 -3.675 1.00 0.00 H new ATOM 0 HH TYR A 40 7.606 -5.667 -4.465 1.00 0.00 H new ATOM 604 N VAL A 41 6.897 -3.710 2.609 1.00 0.00 N ATOM 605 CA VAL A 41 8.168 -3.029 2.784 1.00 0.00 C ATOM 606 C VAL A 41 8.737 -3.367 4.163 1.00 0.00 C ATOM 607 O VAL A 41 9.937 -3.599 4.304 1.00 0.00 O ATOM 608 CB VAL A 41 7.991 -1.525 2.562 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.326 -0.790 2.699 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.347 -1.244 1.203 1.00 0.00 C ATOM 0 H VAL A 41 6.091 -3.214 2.989 1.00 0.00 H new ATOM 0 HA VAL A 41 8.890 -3.371 2.042 1.00 0.00 H new ATOM 0 HB VAL A 41 7.321 -1.148 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.172 0.277 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.729 -0.951 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.029 -1.172 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.232 -0.168 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.981 -1.642 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.368 -1.721 1.159 1.00 0.00 H new ATOM 620 N GLN A 42 7.849 -3.383 5.147 1.00 0.00 N ATOM 621 CA GLN A 42 8.248 -3.688 6.510 1.00 0.00 C ATOM 622 C GLN A 42 8.950 -5.046 6.566 1.00 0.00 C ATOM 623 O GLN A 42 10.161 -5.115 6.774 1.00 0.00 O ATOM 624 CB GLN A 42 7.045 -3.654 7.454 1.00 0.00 C ATOM 625 CG GLN A 42 7.477 -3.311 8.881 1.00 0.00 C ATOM 626 CD GLN A 42 7.132 -4.447 9.846 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.992 -5.151 10.350 1.00 0.00 O ATOM 628 NE2 GLN A 42 5.830 -4.585 10.076 1.00 0.00 N ATOM 0 H GLN A 42 6.855 -3.190 5.027 1.00 0.00 H new ATOM 0 HA GLN A 42 8.950 -2.923 6.842 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.323 -2.917 7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.544 -4.622 7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.550 -3.122 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.985 -2.393 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.163 -3.962 9.621 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.498 -5.314 10.707 1.00 0.00 H new ATOM 637 N LEU A 43 8.161 -6.093 6.377 1.00 0.00 N ATOM 638 CA LEU A 43 8.692 -7.446 6.404 1.00 0.00 C ATOM 639 C LEU A 43 9.887 -7.539 5.453 1.00 0.00 C ATOM 640 O LEU A 43 10.995 -7.865 5.874 1.00 0.00 O ATOM 641 CB LEU A 43 7.587 -8.461 6.104 1.00 0.00 C ATOM 642 CG LEU A 43 7.088 -9.280 7.296 1.00 0.00 C ATOM 643 CD1 LEU A 43 5.926 -10.189 6.888 1.00 0.00 C ATOM 644 CD2 LEU A 43 8.232 -10.066 7.939 1.00 0.00 C ATOM 0 H LEU A 43 7.158 -6.032 6.204 1.00 0.00 H new ATOM 0 HA LEU A 43 9.057 -7.692 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.739 -7.929 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.951 -9.150 5.342 1.00 0.00 H new ATOM 0 HG LEU A 43 6.708 -8.590 8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.590 -10.760 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.103 -9.581 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.257 -10.874 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.850 -10.639 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.664 -10.746 7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.998 -9.374 8.288 1.00 0.00 H new ATOM 656 N LYS A 44 9.620 -7.245 4.189 1.00 0.00 N ATOM 657 CA LYS A 44 10.660 -7.292 3.175 1.00 0.00 C ATOM 658 C LYS A 44 11.947 -6.691 3.743 1.00 0.00 C ATOM 659 O LYS A 44 12.946 -7.391 3.903 1.00 0.00 O ATOM 660 CB LYS A 44 10.183 -6.617 1.887 1.00 0.00 C ATOM 661 CG LYS A 44 11.264 -6.673 0.806 1.00 0.00 C ATOM 662 CD LYS A 44 10.815 -5.936 -0.458 1.00 0.00 C ATOM 663 CE LYS A 44 12.005 -5.637 -1.371 1.00 0.00 C ATOM 664 NZ LYS A 44 11.723 -4.460 -2.222 1.00 0.00 N ATOM 0 H LYS A 44 8.699 -6.974 3.844 1.00 0.00 H new ATOM 0 HA LYS A 44 10.882 -8.324 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.279 -7.109 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.922 -5.579 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.184 -6.227 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.489 -7.712 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.083 -6.540 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.320 -5.005 -0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.895 -5.453 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.217 -6.504 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.541 -4.271 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.886 -4.649 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.543 -3.631 -1.620 1.00 0.00 H new ATOM 678 N GLN A 45 11.883 -5.399 4.031 1.00 0.00 N ATOM 679 CA GLN A 45 13.031 -4.696 4.578 1.00 0.00 C ATOM 680 C GLN A 45 13.642 -5.494 5.732 1.00 0.00 C ATOM 681 O GLN A 45 14.855 -5.688 5.783 1.00 0.00 O ATOM 682 CB GLN A 45 12.646 -3.286 5.030 1.00 0.00 C ATOM 683 CG GLN A 45 12.492 -2.349 3.830 1.00 0.00 C ATOM 684 CD GLN A 45 12.227 -0.913 4.287 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.974 -0.640 5.449 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.298 -0.013 3.310 1.00 0.00 N ATOM 0 H GLN A 45 11.054 -4.821 3.896 1.00 0.00 H new ATOM 0 HA GLN A 45 13.781 -4.598 3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.712 -3.322 5.590 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.408 -2.896 5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.396 -2.380 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.671 -2.691 3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.514 -0.309 2.358 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.136 0.973 3.513 1.00 0.00 H new ATOM 695 N GLU A 46 12.773 -5.935 6.630 1.00 0.00 N ATOM 696 CA GLU A 46 13.211 -6.707 7.780 1.00 0.00 C ATOM 697 C GLU A 46 14.205 -7.787 7.346 1.00 0.00 C ATOM 698 O GLU A 46 15.276 -7.922 7.934 1.00 0.00 O ATOM 699 CB GLU A 46 12.019 -7.322 8.515 1.00 0.00 C ATOM 700 CG GLU A 46 12.013 -6.914 9.989 1.00 0.00 C ATOM 701 CD GLU A 46 11.739 -8.120 10.891 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.634 -8.688 10.758 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.642 -8.446 11.692 1.00 0.00 O ATOM 0 H GLU A 46 11.767 -5.772 6.584 1.00 0.00 H new ATOM 0 HA GLU A 46 13.715 -6.034 8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.091 -7.002 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.059 -8.408 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.973 -6.470 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.253 -6.151 10.156 1.00 0.00 H new ATOM 832 N SER A 55 8.286 6.347 9.118 1.00 0.00 N ATOM 833 CA SER A 55 7.130 7.026 9.677 1.00 0.00 C ATOM 834 C SER A 55 5.910 6.806 8.780 1.00 0.00 C ATOM 835 O SER A 55 5.462 7.726 8.097 1.00 0.00 O ATOM 836 CB SER A 55 7.399 8.523 9.848 1.00 0.00 C ATOM 837 OG SER A 55 6.902 9.016 11.089 1.00 0.00 O ATOM 0 HA SER A 55 6.930 6.605 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.472 8.708 9.788 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.935 9.071 9.028 1.00 0.00 H new ATOM 0 HG SER A 55 7.095 9.974 11.161 1.00 0.00 H new ATOM 843 N TRP A 56 5.407 5.580 8.810 1.00 0.00 N ATOM 844 CA TRP A 56 4.247 5.227 8.009 1.00 0.00 C ATOM 845 C TRP A 56 3.081 6.116 8.447 1.00 0.00 C ATOM 846 O TRP A 56 2.247 6.499 7.628 1.00 0.00 O ATOM 847 CB TRP A 56 3.936 3.734 8.123 1.00 0.00 C ATOM 848 CG TRP A 56 4.803 2.847 7.225 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.702 1.926 7.596 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.815 2.837 5.782 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.290 1.324 6.503 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.734 1.896 5.364 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.075 3.597 4.860 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.998 1.628 4.016 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.350 3.317 3.516 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.272 2.373 3.079 1.00 0.00 C ATOM 0 H TRP A 56 5.782 4.819 9.376 1.00 0.00 H new ATOM 0 HA TRP A 56 4.441 5.404 6.951 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.069 3.424 9.159 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.887 3.572 7.873 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.937 1.685 8.622 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.002 0.594 6.526 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.351 4.339 5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.723 0.886 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.808 3.874 2.766 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.428 2.215 2.022 1.00 0.00 H new ATOM 867 N SER A 57 3.061 6.417 9.737 1.00 0.00 N ATOM 868 CA SER A 57 2.011 7.253 10.294 1.00 0.00 C ATOM 869 C SER A 57 1.861 8.528 9.461 1.00 0.00 C ATOM 870 O SER A 57 0.785 8.806 8.933 1.00 0.00 O ATOM 871 CB SER A 57 2.302 7.603 11.754 1.00 0.00 C ATOM 872 OG SER A 57 1.611 6.745 12.657 1.00 0.00 O ATOM 0 H SER A 57 3.755 6.097 10.413 1.00 0.00 H new ATOM 0 HA SER A 57 1.076 6.694 10.263 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.374 7.533 11.937 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.013 8.637 11.943 1.00 0.00 H new ATOM 0 HG SER A 57 1.825 7.000 13.579 1.00 0.00 H new ATOM 878 N TYR A 58 2.955 9.270 9.371 1.00 0.00 N ATOM 879 CA TYR A 58 2.959 10.509 8.613 1.00 0.00 C ATOM 880 C TYR A 58 2.621 10.253 7.142 1.00 0.00 C ATOM 881 O TYR A 58 1.961 11.069 6.502 1.00 0.00 O ATOM 882 CB TYR A 58 4.384 11.058 8.708 1.00 0.00 C ATOM 883 CG TYR A 58 4.721 12.102 7.643 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.959 11.709 6.341 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.788 13.438 7.983 1.00 0.00 C ATOM 886 CE1 TYR A 58 5.276 12.692 5.338 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.105 14.421 6.980 1.00 0.00 C ATOM 888 CZ TYR A 58 5.334 14.000 5.707 1.00 0.00 C ATOM 889 OH TYR A 58 5.634 14.928 4.760 1.00 0.00 O ATOM 0 H TYR A 58 3.845 9.036 9.811 1.00 0.00 H new ATOM 0 HA TYR A 58 2.217 11.203 9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.527 11.501 9.694 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.088 10.230 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.907 10.664 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.603 13.746 9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.463 12.398 4.316 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.160 15.470 7.233 1.00 0.00 H new ATOM 0 HH TYR A 58 5.639 15.820 5.166 1.00 0.00 H new ATOM 899 N VAL A 59 3.091 9.116 6.650 1.00 0.00 N ATOM 900 CA VAL A 59 2.847 8.741 5.267 1.00 0.00 C ATOM 901 C VAL A 59 1.341 8.588 5.043 1.00 0.00 C ATOM 902 O VAL A 59 0.745 9.343 4.276 1.00 0.00 O ATOM 903 CB VAL A 59 3.635 7.477 4.921 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.253 6.956 3.534 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.142 7.725 5.017 1.00 0.00 C ATOM 0 H VAL A 59 3.640 8.442 7.184 1.00 0.00 H new ATOM 0 HA VAL A 59 3.198 9.521 4.592 1.00 0.00 H new ATOM 0 HB VAL A 59 3.375 6.711 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.828 6.057 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.189 6.721 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.470 7.719 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.678 6.810 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.426 8.514 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.397 8.028 6.033 1.00 0.00 H new ATOM 915 N TRP A 60 0.771 7.607 5.725 1.00 0.00 N ATOM 916 CA TRP A 60 -0.654 7.345 5.610 1.00 0.00 C ATOM 917 C TRP A 60 -1.403 8.618 6.009 1.00 0.00 C ATOM 918 O TRP A 60 -2.541 8.828 5.595 1.00 0.00 O ATOM 919 CB TRP A 60 -1.057 6.127 6.444 1.00 0.00 C ATOM 920 CG TRP A 60 -0.345 4.834 6.043 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.404 4.032 6.812 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.345 4.223 4.736 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.884 2.952 6.099 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.414 3.072 4.796 1.00 0.00 C ATOM 925 CE3 TRP A 60 -0.967 4.628 3.542 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.623 2.233 3.696 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.748 3.779 2.450 1.00 0.00 C ATOM 928 CH2 TRP A 60 0.014 2.617 2.495 1.00 0.00 C ATOM 0 H TRP A 60 1.270 6.983 6.360 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.918 7.094 4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.849 6.334 7.494 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.133 5.979 6.356 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.607 4.208 7.858 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.475 2.204 6.461 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.567 5.524 3.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.222 1.337 3.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.203 4.045 1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.136 2.013 1.608 1.00 0.00 H new ATOM 939 N ARG A 61 -0.732 9.434 6.809 1.00 0.00 N ATOM 940 CA ARG A 61 -1.320 10.681 7.269 1.00 0.00 C ATOM 941 C ARG A 61 -0.969 11.819 6.309 1.00 0.00 C ATOM 942 O ARG A 61 -0.818 12.965 6.729 1.00 0.00 O ATOM 943 CB ARG A 61 -0.827 11.037 8.673 1.00 0.00 C ATOM 944 CG ARG A 61 -1.632 12.199 9.259 1.00 0.00 C ATOM 945 CD ARG A 61 -0.720 13.183 9.993 1.00 0.00 C ATOM 946 NE ARG A 61 -1.184 13.361 11.387 1.00 0.00 N ATOM 947 CZ ARG A 61 -2.359 13.910 11.723 1.00 0.00 C ATOM 948 NH1 ARG A 61 -3.196 14.338 10.768 1.00 0.00 N ATOM 949 NH2 ARG A 61 -2.698 14.031 13.014 1.00 0.00 N ATOM 0 H ARG A 61 0.213 9.256 7.150 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.401 10.547 7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.912 10.167 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.229 11.304 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.164 12.717 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.385 11.814 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.306 12.815 9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.717 14.143 9.477 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.571 13.046 12.139 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.939 14.246 9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.091 14.756 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.061 13.705 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.593 14.449 13.269 1.00 0.00 H new ATOM 963 N THR A 62 -0.849 11.463 5.039 1.00 0.00 N ATOM 964 CA THR A 62 -0.518 12.440 4.016 1.00 0.00 C ATOM 965 C THR A 62 -1.094 12.013 2.664 1.00 0.00 C ATOM 966 O THR A 62 -1.683 12.824 1.952 1.00 0.00 O ATOM 967 CB THR A 62 1.002 12.614 4.001 1.00 0.00 C ATOM 968 OG1 THR A 62 1.297 13.196 5.268 1.00 0.00 O ATOM 969 CG2 THR A 62 1.461 13.667 2.991 1.00 0.00 C ATOM 0 H THR A 62 -0.975 10.511 4.695 1.00 0.00 H new ATOM 0 HA THR A 62 -0.968 13.408 4.235 1.00 0.00 H new ATOM 0 HB THR A 62 1.474 11.659 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.905 12.609 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.547 13.751 3.021 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.147 13.372 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.016 14.630 3.242 1.00 0.00 H new ATOM 977 N TYR A 63 -0.904 10.739 2.352 1.00 0.00 N ATOM 978 CA TYR A 63 -1.397 10.194 1.098 1.00 0.00 C ATOM 979 C TYR A 63 -2.453 9.115 1.347 1.00 0.00 C ATOM 980 O TYR A 63 -2.622 8.656 2.476 1.00 0.00 O ATOM 981 CB TYR A 63 -0.187 9.559 0.410 1.00 0.00 C ATOM 982 CG TYR A 63 0.938 10.546 0.093 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.927 11.245 -1.097 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.963 10.737 0.996 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.986 12.174 -1.396 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.022 11.666 0.698 1.00 0.00 C ATOM 987 CZ TYR A 63 2.981 12.339 -0.484 1.00 0.00 C ATOM 988 OH TYR A 63 3.982 13.216 -0.766 1.00 0.00 O ATOM 0 H TYR A 63 -0.416 10.069 2.946 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.858 10.975 0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.207 8.768 1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.515 9.088 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.124 11.095 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.971 10.190 1.927 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.990 12.727 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.830 11.825 1.396 1.00 0.00 H new ATOM 0 HH TYR A 63 4.622 13.232 -0.024 1.00 0.00 H new ATOM 998 N HIS A 64 -3.135 8.742 0.275 1.00 0.00 N ATOM 999 CA HIS A 64 -4.170 7.725 0.363 1.00 0.00 C ATOM 1000 C HIS A 64 -4.212 6.922 -0.939 1.00 0.00 C ATOM 1001 O HIS A 64 -3.629 7.329 -1.943 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.519 8.353 0.716 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.650 8.752 2.166 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -5.646 7.832 3.200 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.788 9.980 2.744 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -5.777 8.488 4.344 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -5.865 9.819 4.059 1.00 0.00 N ATOM 0 H HIS A 64 -2.992 9.125 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.936 7.031 1.170 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.673 9.234 0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.312 7.647 0.471 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.557 6.821 3.099 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.828 10.924 2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.809 8.046 5.329 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.906 5.795 -0.879 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.032 4.931 -2.041 1.00 0.00 C ATOM 1017 C LEU A 65 -6.247 5.364 -2.864 1.00 0.00 C ATOM 1018 O LEU A 65 -7.376 5.322 -2.378 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.069 3.462 -1.614 1.00 0.00 C ATOM 1020 CG LEU A 65 -4.022 3.036 -0.583 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -2.756 3.888 -0.703 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -4.601 3.067 0.832 1.00 0.00 C ATOM 0 H LEU A 65 -5.387 5.460 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.159 5.030 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.058 3.247 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.948 2.843 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.738 2.005 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.028 3.565 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.332 3.771 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.005 4.936 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.836 2.760 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.932 4.079 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.449 2.385 0.893 1.00 0.00 H new ATOM 1034 N THR A 66 -5.974 5.769 -4.095 1.00 0.00 N ATOM 1035 CA THR A 66 -7.030 6.209 -4.990 1.00 0.00 C ATOM 1036 C THR A 66 -7.130 5.275 -6.198 1.00 0.00 C ATOM 1037 O THR A 66 -6.221 4.486 -6.453 1.00 0.00 O ATOM 1038 CB THR A 66 -6.754 7.665 -5.369 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.554 7.880 -6.528 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.321 7.880 -5.861 1.00 0.00 C ATOM 0 H THR A 66 -5.036 5.802 -4.494 1.00 0.00 H new ATOM 0 HA THR A 66 -8.004 6.164 -4.503 1.00 0.00 H new ATOM 0 HB THR A 66 -6.943 8.306 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.437 8.802 -6.840 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.178 8.930 -6.117 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.620 7.599 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.143 7.264 -6.743 1.00 0.00 H new ATOM 1048 N SER A 67 -8.241 5.395 -6.909 1.00 0.00 N ATOM 1049 CA SER A 67 -8.471 4.571 -8.083 1.00 0.00 C ATOM 1050 C SER A 67 -9.200 5.382 -9.156 1.00 0.00 C ATOM 1051 O SER A 67 -8.615 5.732 -10.180 1.00 0.00 O ATOM 1052 CB SER A 67 -9.273 3.317 -7.729 1.00 0.00 C ATOM 1053 OG SER A 67 -9.701 2.612 -8.890 1.00 0.00 O ATOM 0 H SER A 67 -8.992 6.051 -6.695 1.00 0.00 H new ATOM 0 HA SER A 67 -7.504 4.252 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.663 2.659 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.142 3.598 -7.135 1.00 0.00 H new ATOM 0 HG SER A 67 -10.208 1.817 -8.622 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.468 5.657 -8.885 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.283 6.420 -9.814 1.00 0.00 C ATOM 1061 C ALA A 68 -12.043 7.505 -9.048 1.00 0.00 C ATOM 1062 O ALA A 68 -13.271 7.565 -9.105 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.220 5.474 -10.568 1.00 0.00 C ATOM 0 H ALA A 68 -10.950 5.365 -8.035 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.656 6.917 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.832 6.047 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.631 4.741 -11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.866 4.959 -9.857 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.282 8.334 -8.349 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.869 9.413 -7.572 1.00 0.00 C ATOM 1071 C GLY A 69 -12.225 8.941 -6.161 1.00 0.00 C ATOM 1072 O GLY A 69 -12.133 9.709 -5.204 1.00 0.00 O ATOM 0 H GLY A 69 -10.264 8.281 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.170 10.247 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.764 9.781 -8.073 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.625 7.681 -6.076 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.996 7.098 -4.798 1.00 0.00 C ATOM 1078 C GLU A 70 -11.769 6.984 -3.891 1.00 0.00 C ATOM 1079 O GLU A 70 -10.977 6.052 -4.026 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.665 5.735 -4.990 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.078 5.893 -5.554 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.255 5.066 -6.829 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -14.251 4.932 -7.562 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.389 4.587 -7.042 1.00 0.00 O ATOM 0 H GLU A 70 -12.700 7.047 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.720 7.756 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.066 5.124 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.707 5.209 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.808 5.579 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.273 6.944 -5.768 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.650 7.944 -2.986 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.533 7.963 -2.057 1.00 0.00 C ATOM 1093 C LYS A 71 -10.685 6.812 -1.060 1.00 0.00 C ATOM 1094 O LYS A 71 -11.576 6.834 -0.213 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.409 9.337 -1.396 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.299 10.444 -2.447 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.882 11.769 -1.807 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.233 12.696 -2.837 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.965 13.980 -2.912 1.00 0.00 N ATOM 0 H LYS A 71 -12.309 8.715 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.594 7.804 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.276 9.519 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.531 9.356 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.571 10.158 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.257 10.566 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.754 12.257 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.183 11.579 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.193 12.879 -2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.228 12.216 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.512 14.597 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.951 13.802 -3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.948 14.444 -1.982 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.800 5.835 -1.194 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.825 4.678 -0.316 1.00 0.00 C ATOM 1115 C LEU A 72 -9.466 5.115 1.106 1.00 0.00 C ATOM 1116 O LEU A 72 -8.301 5.064 1.499 1.00 0.00 O ATOM 1117 CB LEU A 72 -8.924 3.569 -0.865 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.095 3.240 -2.349 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.872 2.496 -2.890 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.392 2.464 -2.593 1.00 0.00 C ATOM 0 H LEU A 72 -9.061 5.821 -1.897 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.827 4.252 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.886 3.853 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.106 2.662 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.172 4.177 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.019 2.274 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.985 3.118 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.739 1.565 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.489 2.243 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.370 1.532 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.242 3.064 -2.268 1.00 0.00 H new ATOM 1132 N THR A 73 -10.487 5.534 1.838 1.00 0.00 N ATOM 1133 CA THR A 73 -10.294 5.979 3.208 1.00 0.00 C ATOM 1134 C THR A 73 -11.075 5.087 4.174 1.00 0.00 C ATOM 1135 O THR A 73 -10.596 4.776 5.263 1.00 0.00 O ATOM 1136 CB THR A 73 -10.692 7.454 3.286 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.063 7.465 2.898 1.00 0.00 O ATOM 1138 CG2 THR A 73 -9.997 8.305 2.221 1.00 0.00 C ATOM 0 H THR A 73 -11.451 5.575 1.508 1.00 0.00 H new ATOM 0 HA THR A 73 -9.250 5.893 3.508 1.00 0.00 H new ATOM 0 HB THR A 73 -10.451 7.843 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.402 8.384 2.922 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.314 9.343 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.917 8.242 2.352 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.264 7.937 1.230 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.266 4.699 3.740 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.118 3.848 4.552 1.00 0.00 C ATOM 1148 C GLU A 74 -12.445 2.496 4.792 1.00 0.00 C ATOM 1149 O GLU A 74 -12.239 1.726 3.855 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.493 3.670 3.904 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.501 4.671 4.471 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.780 5.795 3.471 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.393 5.486 2.427 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -15.373 6.937 3.773 1.00 0.00 O ATOM 0 H GLU A 74 -12.660 4.959 2.836 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.268 4.332 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.410 3.803 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.850 2.654 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.431 4.157 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.117 5.093 5.400 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.121 2.247 6.052 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.475 1.000 6.427 1.00 0.00 C ATOM 1163 C ASP A 75 -12.518 -0.119 6.463 1.00 0.00 C ATOM 1164 O ASP A 75 -12.206 -1.272 6.173 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.843 1.103 7.817 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.251 2.472 8.158 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.265 2.847 7.488 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -10.798 3.113 9.081 1.00 0.00 O ATOM 0 H ASP A 75 -12.294 2.888 6.827 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.698 0.789 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.598 0.855 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.056 0.353 7.898 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.735 0.262 6.823 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.826 -0.695 6.901 1.00 0.00 C ATOM 1175 C ARG A 76 -15.288 -1.088 5.497 1.00 0.00 C ATOM 1176 O ARG A 76 -15.815 -2.182 5.297 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.011 -0.117 7.678 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.893 -0.430 9.171 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.414 -1.835 9.479 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.387 -2.075 10.939 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.709 -3.242 11.515 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.085 -4.281 10.757 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -16.656 -3.369 12.848 1.00 0.00 N ATOM 0 H ARG A 76 -13.990 1.220 7.064 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.458 -1.576 7.426 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.055 0.962 7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.942 -0.530 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.852 -0.348 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.456 0.305 9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.431 -1.946 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.802 -2.579 8.968 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.106 -1.304 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.126 -4.184 9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.330 -5.169 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.371 -2.578 13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.901 -4.257 13.286 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.074 -0.176 4.560 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.462 -0.414 3.181 1.00 0.00 C ATOM 1199 C LYS A 77 -14.407 -1.290 2.502 1.00 0.00 C ATOM 1200 O LYS A 77 -13.209 -1.087 2.694 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.717 0.911 2.459 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.184 0.672 1.022 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.116 1.792 0.555 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.256 1.236 -0.301 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.252 2.293 -0.587 1.00 0.00 N ATOM 0 H LYS A 77 -14.636 0.730 4.729 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.405 -0.960 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.470 1.484 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.805 1.508 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.320 0.613 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.700 -0.286 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.527 2.313 1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.550 2.525 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.858 0.841 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.736 0.406 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.019 1.899 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.645 2.651 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.793 3.072 -1.100 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.890 -2.247 1.723 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.004 -3.155 1.016 1.00 0.00 C ATOM 1221 C LYS A 78 -13.559 -2.507 -0.297 1.00 0.00 C ATOM 1222 O LYS A 78 -14.272 -1.674 -0.855 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.670 -4.520 0.832 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.235 -5.037 2.157 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.722 -5.370 2.026 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.110 -6.520 2.958 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.459 -6.295 3.526 1.00 0.00 N ATOM 0 H LYS A 78 -15.884 -2.413 1.566 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.104 -3.342 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.471 -4.442 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -13.945 -5.233 0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.686 -5.925 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.094 -4.286 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.318 -4.489 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.948 -5.641 0.995 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.092 -7.462 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.380 -6.606 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.707 -7.085 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.464 -5.406 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.155 -6.236 2.755 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.382 -2.913 -0.751 1.00 0.00 N ATOM 1242 CA LEU A 79 -11.834 -2.382 -1.988 1.00 0.00 C ATOM 1243 C LEU A 79 -12.709 -2.826 -3.161 1.00 0.00 C ATOM 1244 O LEU A 79 -12.859 -2.096 -4.140 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.363 -2.777 -2.134 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.450 -2.408 -0.963 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -7.979 -2.615 -1.329 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.726 -0.983 -0.480 1.00 0.00 C ATOM 0 H LEU A 79 -11.793 -3.603 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.849 -1.292 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.310 -3.855 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.970 -2.310 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.672 -3.078 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.351 -2.346 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.812 -3.661 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.724 -1.986 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.064 -0.746 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.549 -0.282 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.763 -0.904 -0.153 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.265 -4.021 -3.025 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.121 -4.571 -4.061 1.00 0.00 C ATOM 1262 C ARG A 80 -15.369 -3.703 -4.235 1.00 0.00 C ATOM 1263 O ARG A 80 -15.834 -3.495 -5.355 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.547 -6.001 -3.723 1.00 0.00 C ATOM 1265 CG ARG A 80 -14.742 -6.831 -4.993 1.00 0.00 C ATOM 1266 CD ARG A 80 -15.550 -8.098 -4.703 1.00 0.00 C ATOM 1267 NE ARG A 80 -16.998 -7.797 -4.752 1.00 0.00 N ATOM 1268 CZ ARG A 80 -17.960 -8.728 -4.711 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -17.635 -10.025 -4.620 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.249 -8.363 -4.761 1.00 0.00 N ATOM 0 H ARG A 80 -13.139 -4.624 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.550 -4.584 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.792 -6.469 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.475 -5.982 -3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.255 -6.233 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.771 -7.102 -5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.306 -8.870 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.285 -8.492 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.281 -6.820 -4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.655 -10.304 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.368 -10.733 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.497 -7.376 -4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.981 -9.072 -4.730 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.875 -3.218 -3.111 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.060 -2.377 -3.125 1.00 0.00 C ATOM 1286 C ASP A 81 -16.741 -1.067 -3.848 1.00 0.00 C ATOM 1287 O ASP A 81 -17.644 -0.376 -4.317 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.509 -2.035 -1.703 1.00 0.00 C ATOM 1289 CG ASP A 81 -19.022 -2.066 -1.479 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.668 -1.051 -1.818 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.500 -3.105 -0.972 1.00 0.00 O ATOM 0 H ASP A 81 -15.486 -3.391 -2.184 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.855 -2.923 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -17.040 -2.735 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.139 -1.041 -1.450 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.453 -0.764 -3.916 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.003 0.451 -4.573 1.00 0.00 C ATOM 1298 C TYR A 82 -14.707 0.196 -6.053 1.00 0.00 C ATOM 1299 O TYR A 82 -14.125 1.044 -6.728 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.707 0.858 -3.869 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.909 1.847 -2.718 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -14.375 3.120 -2.977 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.624 1.466 -1.423 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.564 4.050 -1.894 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.813 2.396 -0.340 1.00 0.00 C ATOM 1306 CZ TYR A 82 -14.274 3.643 -0.629 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.453 4.521 0.393 1.00 0.00 O ATOM 0 H TYR A 82 -14.706 -1.340 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.769 1.224 -4.516 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.218 -0.037 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.031 1.301 -4.601 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.598 3.418 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.259 0.470 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.928 5.049 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.594 2.110 0.678 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.352 4.409 0.767 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.121 -0.975 -6.513 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.907 -1.352 -7.900 1.00 0.00 C ATOM 1319 C GLY A 83 -13.457 -1.782 -8.134 1.00 0.00 C ATOM 1320 O GLY A 83 -12.982 -1.786 -9.269 1.00 0.00 O ATOM 0 H GLY A 83 -15.604 -1.675 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.579 -2.167 -8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.151 -0.512 -8.551 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.794 -2.133 -7.042 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.408 -2.563 -7.114 1.00 0.00 C ATOM 1326 C ILE A 84 -11.350 -4.092 -7.068 1.00 0.00 C ATOM 1327 O ILE A 84 -11.523 -4.691 -6.008 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.578 -1.884 -6.023 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.869 -0.382 -5.968 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.087 -2.172 -6.208 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.280 0.245 -4.703 1.00 0.00 C ATOM 0 H ILE A 84 -13.191 -2.128 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.963 -2.254 -8.060 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.870 -2.305 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.450 0.106 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.946 -0.216 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.520 -1.677 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.915 -3.247 -6.159 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.762 -1.797 -7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.501 1.312 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.719 -0.228 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.200 0.098 -4.693 1.00 0.00 H new ATOM 1343 N ARG A 85 -11.106 -4.678 -8.231 1.00 0.00 N ATOM 1344 CA ARG A 85 -11.023 -6.125 -8.337 1.00 0.00 C ATOM 1345 C ARG A 85 -9.560 -6.571 -8.382 1.00 0.00 C ATOM 1346 O ARG A 85 -8.653 -5.754 -8.226 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.741 -6.627 -9.591 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.248 -6.377 -9.497 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.629 -5.065 -10.184 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.043 -5.113 -10.619 1.00 0.00 N ATOM 1351 CZ ARG A 85 -16.086 -4.873 -9.813 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -15.880 -4.566 -8.525 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -17.334 -4.940 -10.294 1.00 0.00 N ATOM 0 H ARG A 85 -10.963 -4.177 -9.108 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.509 -6.550 -7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.339 -6.124 -10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.553 -7.693 -9.720 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.787 -7.204 -9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.550 -6.345 -8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.479 -4.230 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.981 -4.894 -11.044 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.235 -5.343 -11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.929 -4.515 -8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.674 -4.383 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.491 -5.174 -11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.128 -4.757 -9.680 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.376 -7.865 -8.595 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.038 -8.429 -8.663 1.00 0.00 C ATOM 1369 C ASN A 86 -7.319 -7.878 -9.896 1.00 0.00 C ATOM 1370 O ASN A 86 -7.960 -7.481 -10.867 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.089 -9.953 -8.787 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.746 -10.510 -9.264 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.776 -10.579 -8.527 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.744 -10.901 -10.535 1.00 0.00 N ATOM 0 H ASN A 86 -10.130 -8.539 -8.723 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.511 -8.159 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.347 -10.391 -7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.874 -10.238 -9.487 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.895 -11.287 -10.949 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.591 -10.815 -11.096 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.996 -7.873 -9.816 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.183 -7.377 -10.913 1.00 0.00 C ATOM 1383 C ARG A 87 -5.590 -5.947 -11.273 1.00 0.00 C ATOM 1384 O ARG A 87 -5.663 -5.596 -12.449 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.325 -8.267 -12.150 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.007 -8.975 -12.470 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.739 -8.979 -13.977 1.00 0.00 C ATOM 1388 NE ARG A 87 -3.049 -10.229 -14.365 1.00 0.00 N ATOM 1389 CZ ARG A 87 -1.759 -10.487 -14.107 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -1.012 -9.582 -13.460 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -1.217 -11.649 -14.497 1.00 0.00 N ATOM 0 H ARG A 87 -5.468 -8.204 -9.009 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.143 -7.390 -10.586 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.108 -9.007 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.634 -7.663 -13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.187 -8.477 -11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.041 -10.000 -12.100 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.679 -8.888 -14.522 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.129 -8.118 -14.248 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.589 -10.939 -14.860 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.425 -8.698 -13.164 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.030 -9.778 -13.263 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.786 -12.337 -14.990 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.235 -11.845 -14.301 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.846 -5.161 -10.238 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.245 -3.777 -10.430 1.00 0.00 C ATOM 1407 C ASP A 88 -5.048 -2.863 -10.157 1.00 0.00 C ATOM 1408 O ASP A 88 -4.105 -3.257 -9.472 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.366 -3.388 -9.465 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.774 -3.779 -9.918 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.901 -4.886 -10.485 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.692 -2.962 -9.688 1.00 0.00 O ATOM 0 H ASP A 88 -5.785 -5.456 -9.264 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.598 -3.667 -11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.170 -3.852 -8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.336 -2.309 -9.313 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.126 -1.660 -10.706 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.061 -0.687 -10.530 1.00 0.00 C ATOM 1419 C GLU A 89 -4.558 0.500 -9.703 1.00 0.00 C ATOM 1420 O GLU A 89 -5.400 1.271 -10.160 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.513 -0.223 -11.881 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.801 -1.367 -12.606 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.725 -1.100 -14.110 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -3.807 -0.935 -14.713 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -1.586 -1.066 -14.624 1.00 0.00 O ATOM 0 H GLU A 89 -5.910 -1.337 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.244 -1.165 -9.989 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.329 0.152 -12.499 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.820 0.605 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.795 -1.487 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.331 -2.302 -12.425 1.00 0.00 H new ATOM 1432 N VAL A 90 -4.014 0.611 -8.500 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.392 1.692 -7.605 1.00 0.00 C ATOM 1434 C VAL A 90 -3.359 2.816 -7.705 1.00 0.00 C ATOM 1435 O VAL A 90 -2.178 2.560 -7.935 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.558 1.158 -6.180 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.572 2.302 -5.164 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.821 0.302 -6.060 1.00 0.00 C ATOM 0 H VAL A 90 -3.315 -0.029 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.356 2.109 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.700 0.523 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.691 1.895 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.633 2.853 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.402 2.974 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.916 -0.065 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.694 0.904 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.754 -0.543 -6.745 1.00 0.00 H new ATOM 1448 N SER A 91 -3.841 4.037 -7.527 1.00 0.00 N ATOM 1449 CA SER A 91 -2.974 5.201 -7.595 1.00 0.00 C ATOM 1450 C SER A 91 -2.819 5.820 -6.204 1.00 0.00 C ATOM 1451 O SER A 91 -3.545 5.462 -5.277 1.00 0.00 O ATOM 1452 CB SER A 91 -3.519 6.238 -8.579 1.00 0.00 C ATOM 1453 OG SER A 91 -4.918 6.079 -8.802 1.00 0.00 O ATOM 0 H SER A 91 -4.821 4.246 -7.336 1.00 0.00 H new ATOM 0 HA SER A 91 -1.997 4.878 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.325 7.239 -8.195 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.989 6.152 -9.527 1.00 0.00 H new ATOM 0 HG SER A 91 -5.228 6.761 -9.434 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.869 6.737 -6.102 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.610 7.409 -4.839 1.00 0.00 C ATOM 1461 C PHE A 92 -1.954 8.897 -4.929 1.00 0.00 C ATOM 1462 O PHE A 92 -1.569 9.571 -5.883 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.114 7.260 -4.553 1.00 0.00 C ATOM 1464 CG PHE A 92 0.208 6.283 -3.420 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.235 4.999 -3.484 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.939 6.698 -2.351 1.00 0.00 C ATOM 1467 CE1 PHE A 92 0.064 4.092 -2.433 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.238 5.791 -1.300 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.795 4.507 -1.363 1.00 0.00 C ATOM 0 H PHE A 92 -1.269 7.031 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.221 6.969 -4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.388 6.926 -5.461 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.297 8.238 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.814 4.669 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.292 7.717 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.289 3.073 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.817 6.121 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.023 3.817 -0.564 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.676 9.366 -3.922 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.077 10.762 -3.876 1.00 0.00 C ATOM 1481 C ILE A 93 -2.595 11.383 -2.563 1.00 0.00 C ATOM 1482 O ILE A 93 -2.434 10.684 -1.564 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.585 10.894 -4.101 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.020 12.360 -4.053 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.365 10.032 -3.107 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.373 12.553 -4.739 1.00 0.00 C ATOM 0 H ILE A 93 -2.994 8.804 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.607 11.320 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.815 10.522 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.084 12.690 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.269 12.982 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.434 10.144 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.083 8.987 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.134 10.350 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.659 13.604 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.299 12.244 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.126 11.948 -4.234 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.378 12.689 -2.609 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.917 13.412 -1.436 1.00 0.00 C ATOM 1500 C LYS A 94 -3.078 14.216 -0.848 1.00 0.00 C ATOM 1501 O LYS A 94 -3.806 14.886 -1.579 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.691 14.262 -1.777 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.308 15.168 -0.605 1.00 0.00 C ATOM 1504 CD LYS A 94 0.797 16.147 -1.007 1.00 0.00 C ATOM 1505 CE LYS A 94 2.043 15.952 -0.140 1.00 0.00 C ATOM 1506 NZ LYS A 94 3.261 16.330 -0.891 1.00 0.00 N ATOM 0 H LYS A 94 -2.513 13.265 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.588 12.715 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.148 13.613 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.899 14.869 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.184 15.722 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.028 14.560 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.053 16.001 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.436 17.170 -0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.963 16.557 0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.113 14.912 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.822 15.478 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.990 16.787 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.828 16.991 -0.323 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.216 14.122 0.466 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.277 14.832 1.160 1.00 0.00 C ATOM 1522 C LYS A 95 -4.296 16.291 0.697 1.00 0.00 C ATOM 1523 O LYS A 95 -3.421 16.719 -0.054 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.129 14.670 2.674 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.380 13.221 3.098 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.308 13.157 4.312 1.00 0.00 C ATOM 1527 CE LYS A 95 -4.587 12.563 5.523 1.00 0.00 C ATOM 1528 NZ LYS A 95 -4.947 13.301 6.755 1.00 0.00 N ATOM 0 H LYS A 95 -2.611 13.565 1.069 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.248 14.405 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.128 14.974 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.832 15.329 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.821 12.667 2.269 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.432 12.738 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.667 14.158 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.184 12.553 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.852 11.511 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.509 12.606 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.449 12.885 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.672 14.299 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.974 13.239 6.910 1.00 0.00 H new