USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 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 48 TYR OH : rot 149:sc= 1.1 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 142:sc= 0.991 (180deg=0.28) USER MOD Set 2.1: A 7 ASN : amide:sc= -1.57 K(o=0.071,f=1.7) USER MOD Set 2.2: A 62 SER OG : rot -30:sc= 1.64 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.603 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0.665 (180deg=0.662) USER MOD Single : A 13 ASN : amide:sc=-0.00565 X(o=-0.0056,f=0) USER MOD Single : A 18 SER OG : rot -140:sc= 0.938 USER MOD Single : A 19 SER OG : rot 180:sc= 0.26 USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= 0.709 (180deg=-0.439) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot -89:sc= -3.05! USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.1) USER MOD Single : A 58 ASN : amide:sc= -0.253 K(o=-0.25,f=-10!) USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.927 USER MOD Single : A 64 ASN : amide:sc= 1.2 K(o=1.2,f=-0.77) USER MOD Single : A 67 SER OG : rot 73:sc= 1.21 USER MOD Single : A 69 TYR OH : rot -100:sc= 0.478 USER MOD Single : A 73 SER OG : rot 180:sc= -0.171 USER MOD Single : A 76 THR OG1 : rot 20:sc= 0.893 USER MOD Single : A 78 MET CE :methyl 154:sc= 0 (180deg=-0.051) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= -0.0105 (180deg=-0.124) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0156) USER MOD Single : A 86 CYS SG : rot -53:sc= 0.502 USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.399 USER MOD Single : A 95 LYS NZ :NH3+ 173:sc= -0.652 (180deg=-0.694) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0.0127 USER MOD Single : A 100 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.11) USER MOD Single : A 101 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -134:sc= 0.926 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -2.861 -0.242 -8.992 1.00 0.00 N ATOM 36 CA ALA A 3 -1.719 -0.792 -8.264 1.00 0.00 C ATOM 37 C ALA A 3 -0.397 -0.367 -8.906 1.00 0.00 C ATOM 38 O ALA A 3 0.335 -1.186 -9.456 1.00 0.00 O ATOM 39 CB ALA A 3 -1.822 -2.318 -8.216 1.00 0.00 C ATOM 0 HA ALA A 3 -1.737 -0.398 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.969 -2.723 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.744 -2.605 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.827 -2.714 -9.231 1.00 0.00 H new ATOM 45 N GLY A 4 -0.086 0.924 -8.836 1.00 0.00 N ATOM 46 CA GLY A 4 1.142 1.455 -9.379 1.00 0.00 C ATOM 47 C GLY A 4 2.339 0.925 -8.593 1.00 0.00 C ATOM 48 O GLY A 4 2.283 0.792 -7.367 1.00 0.00 O ATOM 0 H GLY A 4 -0.684 1.625 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.235 1.176 -10.429 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.125 2.544 -9.339 1.00 0.00 H new ATOM 52 N ALA A 5 3.422 0.610 -9.306 1.00 0.00 N ATOM 53 CA ALA A 5 4.665 0.235 -8.664 1.00 0.00 C ATOM 54 C ALA A 5 5.328 1.542 -8.256 1.00 0.00 C ATOM 55 O ALA A 5 6.000 2.195 -9.052 1.00 0.00 O ATOM 56 CB ALA A 5 5.555 -0.568 -9.599 1.00 0.00 C ATOM 0 H ALA A 5 3.455 0.610 -10.325 1.00 0.00 H new ATOM 0 HA ALA A 5 4.487 -0.408 -7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.479 -0.832 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.036 -1.477 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.789 0.029 -10.481 1.00 0.00 H new ATOM 62 N VAL A 6 5.050 1.953 -7.028 1.00 0.00 N ATOM 63 CA VAL A 6 5.588 3.179 -6.469 1.00 0.00 C ATOM 64 C VAL A 6 7.000 2.903 -5.960 1.00 0.00 C ATOM 65 O VAL A 6 7.407 1.758 -5.771 1.00 0.00 O ATOM 66 CB VAL A 6 4.665 3.769 -5.379 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.462 4.463 -6.019 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.138 2.748 -4.368 1.00 0.00 C ATOM 0 H VAL A 6 4.441 1.441 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 6 5.639 3.943 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 6 5.295 4.471 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.821 4.873 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.809 5.269 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.898 3.742 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.500 3.251 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.562 1.984 -4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.977 2.281 -3.852 1.00 0.00 H new ATOM 78 N ASN A 7 7.761 3.974 -5.767 1.00 0.00 N ATOM 79 CA ASN A 7 9.120 3.952 -5.253 1.00 0.00 C ATOM 80 C ASN A 7 9.382 5.366 -4.738 1.00 0.00 C ATOM 81 O ASN A 7 8.500 6.214 -4.844 1.00 0.00 O ATOM 82 CB ASN A 7 10.104 3.513 -6.356 1.00 0.00 C ATOM 83 CG ASN A 7 10.199 1.990 -6.439 1.00 0.00 C ATOM 84 OD1 ASN A 7 9.907 1.376 -7.458 1.00 0.00 O ATOM 85 ND2 ASN A 7 10.618 1.378 -5.339 1.00 0.00 N ATOM 0 H ASN A 7 7.433 4.917 -5.973 1.00 0.00 H new ATOM 0 HA ASN A 7 9.258 3.230 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 7 9.779 3.912 -7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.090 3.931 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.706 0.362 -5.323 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.852 1.924 -4.510 1.00 0.00 H new ATOM 92 N ASP A 8 10.583 5.629 -4.225 1.00 0.00 N ATOM 93 CA ASP A 8 10.967 6.850 -3.518 1.00 0.00 C ATOM 94 C ASP A 8 10.346 8.108 -4.124 1.00 0.00 C ATOM 95 O ASP A 8 9.636 8.842 -3.443 1.00 0.00 O ATOM 96 CB ASP A 8 12.499 6.951 -3.518 1.00 0.00 C ATOM 97 CG ASP A 8 13.017 7.975 -2.513 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.577 9.141 -2.590 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.867 7.573 -1.688 1.00 0.00 O ATOM 0 H ASP A 8 11.353 4.963 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 8 10.586 6.788 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.924 5.974 -3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.842 7.221 -4.517 1.00 0.00 H new ATOM 104 N ASP A 9 10.595 8.323 -5.413 1.00 0.00 N ATOM 105 CA ASP A 9 10.089 9.478 -6.141 1.00 0.00 C ATOM 106 C ASP A 9 8.558 9.509 -6.155 1.00 0.00 C ATOM 107 O ASP A 9 7.931 10.340 -5.501 1.00 0.00 O ATOM 108 CB ASP A 9 10.631 9.440 -7.575 1.00 0.00 C ATOM 109 CG ASP A 9 10.029 10.559 -8.417 1.00 0.00 C ATOM 110 OD1 ASP A 9 10.420 11.721 -8.177 1.00 0.00 O ATOM 111 OD2 ASP A 9 9.186 10.227 -9.277 1.00 0.00 O ATOM 0 H ASP A 9 11.159 7.694 -5.984 1.00 0.00 H new ATOM 0 HA ASP A 9 10.428 10.383 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.717 9.536 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.402 8.476 -8.029 1.00 0.00 H new ATOM 116 N THR A 10 7.967 8.592 -6.920 1.00 0.00 N ATOM 117 CA THR A 10 6.535 8.504 -7.157 1.00 0.00 C ATOM 118 C THR A 10 5.742 8.553 -5.851 1.00 0.00 C ATOM 119 O THR A 10 4.742 9.262 -5.769 1.00 0.00 O ATOM 120 CB THR A 10 6.252 7.224 -7.958 1.00 0.00 C ATOM 121 OG1 THR A 10 6.998 6.139 -7.435 1.00 0.00 O ATOM 122 CG2 THR A 10 6.658 7.422 -9.422 1.00 0.00 C ATOM 0 H THR A 10 8.494 7.867 -7.407 1.00 0.00 H new ATOM 0 HA THR A 10 6.206 9.368 -7.735 1.00 0.00 H new ATOM 0 HB THR A 10 5.186 7.009 -7.887 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.066 5.433 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.454 6.510 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.087 8.246 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.722 7.651 -9.477 1.00 0.00 H new ATOM 130 N PHE A 11 6.207 7.825 -4.834 1.00 0.00 N ATOM 131 CA PHE A 11 5.626 7.737 -3.500 1.00 0.00 C ATOM 132 C PHE A 11 5.120 9.089 -2.999 1.00 0.00 C ATOM 133 O PHE A 11 3.981 9.230 -2.558 1.00 0.00 O ATOM 134 CB PHE A 11 6.705 7.213 -2.552 1.00 0.00 C ATOM 135 CG PHE A 11 6.232 6.866 -1.163 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.562 5.650 -0.941 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.598 7.676 -0.077 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.261 5.247 0.369 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.298 7.271 1.233 1.00 0.00 C ATOM 140 CZ PHE A 11 5.605 6.068 1.455 1.00 0.00 C ATOM 0 H PHE A 11 7.045 7.251 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 11 4.767 7.067 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.155 6.326 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.491 7.964 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.280 5.027 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.110 8.611 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.764 4.304 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.599 7.883 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.338 5.776 2.460 1.00 0.00 H new ATOM 150 N LYS A 12 5.988 10.089 -3.085 1.00 0.00 N ATOM 151 CA LYS A 12 5.711 11.450 -2.635 1.00 0.00 C ATOM 152 C LYS A 12 4.374 11.961 -3.187 1.00 0.00 C ATOM 153 O LYS A 12 3.525 12.466 -2.453 1.00 0.00 O ATOM 154 CB LYS A 12 6.845 12.383 -3.084 1.00 0.00 C ATOM 155 CG LYS A 12 8.242 11.943 -2.617 1.00 0.00 C ATOM 156 CD LYS A 12 8.412 11.967 -1.092 1.00 0.00 C ATOM 157 CE LYS A 12 9.857 11.639 -0.694 1.00 0.00 C ATOM 158 NZ LYS A 12 10.219 10.246 -1.017 1.00 0.00 N ATOM 0 H LYS A 12 6.923 9.976 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 12 5.647 11.440 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.840 12.445 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.647 13.386 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.437 10.934 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.990 12.595 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.139 12.950 -0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.733 11.247 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.537 12.318 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.985 11.808 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.208 10.073 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.598 9.596 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.106 10.086 -2.038 1.00 0.00 H new ATOM 172 N ASN A 13 4.199 11.824 -4.498 1.00 0.00 N ATOM 173 CA ASN A 13 3.026 12.295 -5.213 1.00 0.00 C ATOM 174 C ASN A 13 1.848 11.345 -5.066 1.00 0.00 C ATOM 175 O ASN A 13 0.751 11.731 -4.678 1.00 0.00 O ATOM 176 CB ASN A 13 3.365 12.390 -6.709 1.00 0.00 C ATOM 177 CG ASN A 13 4.174 13.638 -7.036 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.316 13.547 -7.470 1.00 0.00 O ATOM 179 ND2 ASN A 13 3.610 14.822 -6.819 1.00 0.00 N ATOM 0 H ASN A 13 4.886 11.372 -5.102 1.00 0.00 H new ATOM 0 HA ASN A 13 2.750 13.262 -4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.927 11.506 -7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.442 12.394 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.129 15.678 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.658 14.875 -6.457 1.00 0.00 H new ATOM 186 N VAL A 14 2.096 10.103 -5.463 1.00 0.00 N ATOM 187 CA VAL A 14 1.106 9.063 -5.631 1.00 0.00 C ATOM 188 C VAL A 14 0.581 8.515 -4.303 1.00 0.00 C ATOM 189 O VAL A 14 -0.577 8.099 -4.239 1.00 0.00 O ATOM 190 CB VAL A 14 1.763 7.968 -6.493 1.00 0.00 C ATOM 191 CG1 VAL A 14 0.805 6.810 -6.746 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.200 8.517 -7.862 1.00 0.00 C ATOM 0 H VAL A 14 3.039 9.785 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 14 0.220 9.466 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 14 2.632 7.621 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.300 6.055 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.508 6.369 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.079 7.177 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.660 7.718 -8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.330 8.900 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.921 9.322 -7.718 1.00 0.00 H new ATOM 202 N VAL A 15 1.414 8.486 -3.258 1.00 0.00 N ATOM 203 CA VAL A 15 1.074 7.862 -1.985 1.00 0.00 C ATOM 204 C VAL A 15 0.926 8.880 -0.859 1.00 0.00 C ATOM 205 O VAL A 15 -0.071 8.841 -0.141 1.00 0.00 O ATOM 206 CB VAL A 15 2.146 6.823 -1.628 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.716 6.003 -0.410 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.408 5.882 -2.804 1.00 0.00 C ATOM 0 H VAL A 15 2.347 8.898 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 15 0.105 7.376 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 15 3.064 7.362 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.489 5.272 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.570 6.667 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.783 5.485 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.171 5.155 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.487 5.360 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.752 6.459 -3.662 1.00 0.00 H new ATOM 218 N LEU A 16 1.920 9.749 -0.646 1.00 0.00 N ATOM 219 CA LEU A 16 1.862 10.695 0.460 1.00 0.00 C ATOM 220 C LEU A 16 0.862 11.815 0.180 1.00 0.00 C ATOM 221 O LEU A 16 -0.217 11.855 0.773 1.00 0.00 O ATOM 222 CB LEU A 16 3.252 11.282 0.742 1.00 0.00 C ATOM 223 CG LEU A 16 4.297 10.255 1.194 1.00 0.00 C ATOM 224 CD1 LEU A 16 5.563 11.011 1.605 1.00 0.00 C ATOM 225 CD2 LEU A 16 3.803 9.414 2.373 1.00 0.00 C ATOM 0 H LEU A 16 2.761 9.813 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 16 1.524 10.153 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.613 11.776 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.159 12.049 1.511 1.00 0.00 H new ATOM 0 HG LEU A 16 4.494 9.573 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.322 10.300 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.940 11.579 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.330 11.693 2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.575 8.700 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.581 10.066 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.901 8.875 2.083 1.00 0.00 H new ATOM 237 N GLU A 17 1.213 12.734 -0.722 1.00 0.00 N ATOM 238 CA GLU A 17 0.411 13.920 -1.009 1.00 0.00 C ATOM 239 C GLU A 17 -0.768 13.604 -1.937 1.00 0.00 C ATOM 240 O GLU A 17 -1.027 14.333 -2.893 1.00 0.00 O ATOM 241 CB GLU A 17 1.325 15.004 -1.603 1.00 0.00 C ATOM 242 CG GLU A 17 2.551 15.307 -0.724 1.00 0.00 C ATOM 243 CD GLU A 17 2.166 15.655 0.710 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.646 16.776 0.902 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.387 14.791 1.587 1.00 0.00 O ATOM 0 H GLU A 17 2.067 12.674 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.027 14.286 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.662 14.686 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.750 15.919 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.214 14.442 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.110 16.135 -1.158 1.00 0.00 H new ATOM 252 N SER A 18 -1.499 12.534 -1.632 1.00 0.00 N ATOM 253 CA SER A 18 -2.662 12.091 -2.379 1.00 0.00 C ATOM 254 C SER A 18 -3.918 12.744 -1.800 1.00 0.00 C ATOM 255 O SER A 18 -3.973 13.045 -0.609 1.00 0.00 O ATOM 256 CB SER A 18 -2.741 10.564 -2.297 1.00 0.00 C ATOM 257 OG SER A 18 -1.462 10.043 -2.606 1.00 0.00 O ATOM 0 H SER A 18 -1.287 11.937 -0.833 1.00 0.00 H new ATOM 0 HA SER A 18 -2.583 12.384 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.049 10.251 -1.299 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.487 10.183 -2.995 1.00 0.00 H new ATOM 0 HG SER A 18 -1.561 9.242 -3.161 1.00 0.00 H new ATOM 263 N SER A 19 -4.937 12.947 -2.637 1.00 0.00 N ATOM 264 CA SER A 19 -6.218 13.509 -2.240 1.00 0.00 C ATOM 265 C SER A 19 -7.019 12.395 -1.572 1.00 0.00 C ATOM 266 O SER A 19 -7.425 12.487 -0.417 1.00 0.00 O ATOM 267 CB SER A 19 -6.910 14.003 -3.514 1.00 0.00 C ATOM 268 OG SER A 19 -6.715 13.036 -4.539 1.00 0.00 O ATOM 0 H SER A 19 -4.888 12.719 -3.630 1.00 0.00 H new ATOM 0 HA SER A 19 -6.118 14.340 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.974 14.153 -3.333 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.500 14.966 -3.819 1.00 0.00 H new ATOM 0 HG SER A 19 -7.154 13.338 -5.361 1.00 0.00 H new ATOM 274 N VAL A 20 -7.202 11.316 -2.329 1.00 0.00 N ATOM 275 CA VAL A 20 -7.828 10.090 -1.865 1.00 0.00 C ATOM 276 C VAL A 20 -6.781 9.323 -1.049 1.00 0.00 C ATOM 277 O VAL A 20 -5.584 9.475 -1.305 1.00 0.00 O ATOM 278 CB VAL A 20 -8.287 9.236 -3.063 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.457 9.881 -3.812 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.143 8.939 -4.050 1.00 0.00 C ATOM 0 H VAL A 20 -6.910 11.273 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.705 10.316 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.622 8.290 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.748 9.246 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.302 9.999 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.154 10.859 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.521 8.335 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.746 9.876 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.351 8.395 -3.536 1.00 0.00 H new ATOM 290 N PRO A 21 -7.191 8.517 -0.057 1.00 0.00 N ATOM 291 CA PRO A 21 -6.253 7.730 0.714 1.00 0.00 C ATOM 292 C PRO A 21 -5.754 6.574 -0.135 1.00 0.00 C ATOM 293 O PRO A 21 -6.395 6.220 -1.125 1.00 0.00 O ATOM 294 CB PRO A 21 -7.015 7.212 1.925 1.00 0.00 C ATOM 295 CG PRO A 21 -8.447 7.129 1.406 1.00 0.00 C ATOM 296 CD PRO A 21 -8.555 8.241 0.356 1.00 0.00 C ATOM 0 HA PRO A 21 -5.389 8.317 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.645 6.240 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.931 7.887 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.652 6.152 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.167 7.275 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.165 7.924 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.026 9.131 0.773 1.00 0.00 H new ATOM 304 N VAL A 22 -4.637 5.966 0.275 1.00 0.00 N ATOM 305 CA VAL A 22 -4.031 4.885 -0.491 1.00 0.00 C ATOM 306 C VAL A 22 -3.270 3.858 0.351 1.00 0.00 C ATOM 307 O VAL A 22 -2.489 4.230 1.228 1.00 0.00 O ATOM 308 CB VAL A 22 -3.176 5.450 -1.643 1.00 0.00 C ATOM 309 CG1 VAL A 22 -3.916 5.177 -2.955 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.860 6.949 -1.544 1.00 0.00 C ATOM 0 H VAL A 22 -4.139 6.207 1.132 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.857 4.317 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.210 4.949 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.333 5.567 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.053 4.103 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.889 5.667 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.255 7.251 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.790 7.517 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.310 7.145 -0.623 1.00 0.00 H new ATOM 320 N LEU A 23 -3.507 2.565 0.057 1.00 0.00 N ATOM 321 CA LEU A 23 -2.939 1.412 0.735 1.00 0.00 C ATOM 322 C LEU A 23 -1.714 0.965 -0.040 1.00 0.00 C ATOM 323 O LEU A 23 -1.852 0.301 -1.064 1.00 0.00 O ATOM 324 CB LEU A 23 -3.985 0.290 0.749 1.00 0.00 C ATOM 325 CG LEU A 23 -3.646 -0.913 1.635 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.891 -1.364 2.406 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.159 -2.084 0.765 1.00 0.00 C ATOM 0 H LEU A 23 -4.134 2.296 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.659 1.658 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.936 0.707 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.130 -0.062 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.864 -0.618 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.640 -2.220 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.247 -0.546 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.673 -1.647 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.920 -2.936 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.943 -2.366 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.269 -1.782 0.214 1.00 0.00 H new ATOM 339 N VAL A 24 -0.523 1.347 0.404 1.00 0.00 N ATOM 340 CA VAL A 24 0.692 0.922 -0.264 1.00 0.00 C ATOM 341 C VAL A 24 1.213 -0.322 0.451 1.00 0.00 C ATOM 342 O VAL A 24 1.389 -0.317 1.673 1.00 0.00 O ATOM 343 CB VAL A 24 1.718 2.061 -0.326 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.856 2.758 1.020 1.00 0.00 C ATOM 345 CG2 VAL A 24 3.082 1.562 -0.817 1.00 0.00 C ATOM 0 H VAL A 24 -0.377 1.945 1.217 1.00 0.00 H new ATOM 0 HA VAL A 24 0.490 0.664 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 24 1.346 2.789 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.590 3.559 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.893 3.176 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.183 2.038 1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.784 2.395 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.456 0.797 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.976 1.138 -1.816 1.00 0.00 H new ATOM 355 N ASP A 25 1.432 -1.394 -0.315 1.00 0.00 N ATOM 356 CA ASP A 25 2.052 -2.602 0.201 1.00 0.00 C ATOM 357 C ASP A 25 3.544 -2.493 -0.097 1.00 0.00 C ATOM 358 O ASP A 25 3.932 -2.321 -1.254 1.00 0.00 O ATOM 359 CB ASP A 25 1.461 -3.863 -0.442 1.00 0.00 C ATOM 360 CG ASP A 25 2.201 -5.126 0.013 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.595 -5.170 1.199 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.354 -6.029 -0.838 1.00 0.00 O ATOM 0 H ASP A 25 1.184 -1.442 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 25 1.869 -2.691 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.406 -3.945 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.516 -3.779 -1.527 1.00 0.00 H new ATOM 367 N PHE A 26 4.391 -2.544 0.926 1.00 0.00 N ATOM 368 CA PHE A 26 5.830 -2.538 0.730 1.00 0.00 C ATOM 369 C PHE A 26 6.150 -3.975 0.346 1.00 0.00 C ATOM 370 O PHE A 26 6.022 -4.864 1.186 1.00 0.00 O ATOM 371 CB PHE A 26 6.544 -2.093 2.011 1.00 0.00 C ATOM 372 CG PHE A 26 6.396 -0.616 2.349 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.137 -0.068 2.669 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.539 0.203 2.426 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.032 1.262 3.101 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.435 1.525 2.896 1.00 0.00 C ATOM 377 CZ PHE A 26 6.184 2.042 3.274 1.00 0.00 C ATOM 0 H PHE A 26 4.100 -2.590 1.903 1.00 0.00 H new ATOM 0 HA PHE A 26 6.165 -1.837 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 26 6.162 -2.681 2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.605 -2.324 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.249 -0.676 2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.500 -0.186 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.060 1.687 3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.318 2.143 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.111 3.034 3.695 1.00 0.00 H new ATOM 387 N TRP A 27 6.487 -4.200 -0.926 1.00 0.00 N ATOM 388 CA TRP A 27 6.672 -5.538 -1.468 1.00 0.00 C ATOM 389 C TRP A 27 8.052 -5.685 -2.093 1.00 0.00 C ATOM 390 O TRP A 27 8.889 -4.785 -2.035 1.00 0.00 O ATOM 391 CB TRP A 27 5.590 -5.812 -2.526 1.00 0.00 C ATOM 392 CG TRP A 27 5.824 -5.146 -3.846 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.736 -3.822 -4.077 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.331 -5.730 -5.079 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.254 -3.524 -5.321 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.663 -4.671 -5.973 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.597 -7.046 -5.514 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.284 -4.908 -7.209 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.112 -7.292 -6.798 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.479 -6.228 -7.637 1.00 0.00 C ATOM 0 H TRP A 27 6.638 -3.455 -1.606 1.00 0.00 H new ATOM 0 HA TRP A 27 6.587 -6.259 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.520 -6.888 -2.685 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.627 -5.484 -2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.321 -3.100 -3.390 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.325 -2.583 -5.707 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.402 -7.876 -4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.608 -4.082 -7.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.227 -8.309 -7.143 1.00 0.00 H new ATOM 0 HH2 TRP A 27 7.910 -6.426 -8.608 1.00 0.00 H new ATOM 411 N ALA A 28 8.269 -6.819 -2.746 1.00 0.00 N ATOM 412 CA ALA A 28 9.438 -7.114 -3.553 1.00 0.00 C ATOM 413 C ALA A 28 9.143 -8.429 -4.267 1.00 0.00 C ATOM 414 O ALA A 28 8.378 -9.228 -3.732 1.00 0.00 O ATOM 415 CB ALA A 28 10.692 -7.267 -2.692 1.00 0.00 C ATOM 0 H ALA A 28 7.603 -7.591 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 28 9.630 -6.300 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.547 -7.487 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.875 -6.341 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.549 -8.082 -1.983 1.00 0.00 H new ATOM 421 N PRO A 29 9.713 -8.698 -5.446 1.00 0.00 N ATOM 422 CA PRO A 29 9.492 -9.957 -6.144 1.00 0.00 C ATOM 423 C PRO A 29 9.788 -11.174 -5.263 1.00 0.00 C ATOM 424 O PRO A 29 9.045 -12.153 -5.300 1.00 0.00 O ATOM 425 CB PRO A 29 10.382 -9.893 -7.387 1.00 0.00 C ATOM 426 CG PRO A 29 11.375 -8.760 -7.102 1.00 0.00 C ATOM 427 CD PRO A 29 10.544 -7.814 -6.241 1.00 0.00 C ATOM 0 HA PRO A 29 8.445 -10.083 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.898 -10.839 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.796 -9.689 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.261 -9.117 -6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.720 -8.280 -8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.177 -7.188 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.941 -7.143 -6.853 1.00 0.00 H new ATOM 435 N TRP A 30 10.852 -11.113 -4.459 1.00 0.00 N ATOM 436 CA TRP A 30 11.213 -12.196 -3.553 1.00 0.00 C ATOM 437 C TRP A 30 10.264 -12.285 -2.348 1.00 0.00 C ATOM 438 O TRP A 30 10.298 -13.272 -1.614 1.00 0.00 O ATOM 439 CB TRP A 30 12.666 -12.002 -3.096 1.00 0.00 C ATOM 440 CG TRP A 30 13.020 -10.668 -2.502 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.723 -9.699 -3.129 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.738 -10.149 -1.165 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.890 -8.616 -2.290 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.294 -8.838 -1.065 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.080 -10.650 -0.019 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.186 -8.061 0.098 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.953 -9.874 1.147 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.504 -8.583 1.208 1.00 0.00 C ATOM 0 H TRP A 30 11.483 -10.313 -4.421 1.00 0.00 H new ATOM 0 HA TRP A 30 11.119 -13.141 -4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.896 -12.773 -2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.317 -12.175 -3.953 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.099 -9.763 -4.139 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.389 -7.763 -2.542 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.667 -11.648 -0.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.622 -7.074 0.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.428 -10.274 2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.403 -7.993 2.107 1.00 0.00 H new ATOM 459 N CYS A 31 9.416 -11.281 -2.114 1.00 0.00 N ATOM 460 CA CYS A 31 8.526 -11.284 -0.962 1.00 0.00 C ATOM 461 C CYS A 31 7.379 -12.276 -1.163 1.00 0.00 C ATOM 462 O CYS A 31 6.304 -11.894 -1.616 1.00 0.00 O ATOM 463 CB CYS A 31 7.961 -9.889 -0.709 1.00 0.00 C ATOM 464 SG CYS A 31 6.830 -9.901 0.698 1.00 0.00 S ATOM 0 H CYS A 31 9.331 -10.458 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 31 9.109 -11.591 -0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.776 -9.190 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.439 -9.537 -1.598 1.00 0.00 H new ATOM 469 N GLY A 32 7.601 -13.541 -0.804 1.00 0.00 N ATOM 470 CA GLY A 32 6.619 -14.622 -0.868 1.00 0.00 C ATOM 471 C GLY A 32 5.159 -14.197 -0.642 1.00 0.00 C ATOM 472 O GLY A 32 4.358 -14.294 -1.574 1.00 0.00 O ATOM 0 H GLY A 32 8.505 -13.852 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.694 -15.101 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.881 -15.373 -0.123 1.00 0.00 H new ATOM 476 N PRO A 33 4.780 -13.737 0.566 1.00 0.00 N ATOM 477 CA PRO A 33 3.401 -13.363 0.852 1.00 0.00 C ATOM 478 C PRO A 33 2.922 -12.248 -0.078 1.00 0.00 C ATOM 479 O PRO A 33 1.828 -12.332 -0.631 1.00 0.00 O ATOM 480 CB PRO A 33 3.358 -12.959 2.326 1.00 0.00 C ATOM 481 CG PRO A 33 4.791 -12.518 2.590 1.00 0.00 C ATOM 482 CD PRO A 33 5.615 -13.474 1.730 1.00 0.00 C ATOM 0 HA PRO A 33 2.719 -14.194 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.646 -12.153 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.065 -13.791 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.952 -11.479 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.050 -12.601 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.567 -13.027 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.845 -14.393 2.269 1.00 0.00 H new ATOM 490 N CYS A 34 3.749 -11.217 -0.272 1.00 0.00 N ATOM 491 CA CYS A 34 3.418 -10.098 -1.138 1.00 0.00 C ATOM 492 C CYS A 34 3.096 -10.617 -2.537 1.00 0.00 C ATOM 493 O CYS A 34 2.129 -10.196 -3.156 1.00 0.00 O ATOM 494 CB CYS A 34 4.555 -9.102 -1.277 1.00 0.00 C ATOM 495 SG CYS A 34 5.407 -8.477 0.194 1.00 0.00 S ATOM 0 H CYS A 34 4.665 -11.141 0.170 1.00 0.00 H new ATOM 0 HA CYS A 34 2.567 -9.594 -0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.309 -9.561 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.164 -8.238 -1.815 1.00 0.00 H new ATOM 500 N ARG A 35 3.943 -11.519 -3.038 1.00 0.00 N ATOM 501 CA ARG A 35 3.853 -12.105 -4.363 1.00 0.00 C ATOM 502 C ARG A 35 2.503 -12.779 -4.552 1.00 0.00 C ATOM 503 O ARG A 35 1.820 -12.530 -5.540 1.00 0.00 O ATOM 504 CB ARG A 35 4.998 -13.112 -4.548 1.00 0.00 C ATOM 505 CG ARG A 35 5.293 -13.374 -6.028 1.00 0.00 C ATOM 506 CD ARG A 35 6.373 -14.450 -6.171 1.00 0.00 C ATOM 507 NE ARG A 35 6.667 -14.715 -7.586 1.00 0.00 N ATOM 508 CZ ARG A 35 7.550 -14.048 -8.344 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.315 -13.079 -7.828 1.00 0.00 N ATOM 510 NH2 ARG A 35 7.662 -14.361 -9.639 1.00 0.00 N ATOM 0 H ARG A 35 4.739 -11.870 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 35 3.943 -11.322 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.896 -12.734 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.739 -14.050 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.383 -13.692 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.622 -12.453 -6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.281 -14.129 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.043 -15.369 -5.686 1.00 0.00 H new ATOM 0 HE ARG A 35 6.153 -15.475 -8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.233 -12.835 -6.841 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.980 -12.584 -8.422 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.080 -15.098 -10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.329 -13.863 -10.228 1.00 0.00 H new ATOM 524 N ILE A 36 2.118 -13.637 -3.607 1.00 0.00 N ATOM 525 CA ILE A 36 0.854 -14.350 -3.740 1.00 0.00 C ATOM 526 C ILE A 36 -0.341 -13.399 -3.611 1.00 0.00 C ATOM 527 O ILE A 36 -1.325 -13.603 -4.317 1.00 0.00 O ATOM 528 CB ILE A 36 0.776 -15.553 -2.787 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.915 -15.136 -1.320 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.884 -16.546 -3.170 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.463 -16.218 -0.347 1.00 0.00 C ATOM 0 H ILE A 36 2.649 -13.850 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 36 0.807 -14.764 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.205 -16.018 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.956 -14.884 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.329 -14.233 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.846 -17.408 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.738 -16.875 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.855 -16.060 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.586 -15.862 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.586 -16.453 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.065 -17.114 -0.494 1.00 0.00 H new ATOM 543 N ILE A 37 -0.298 -12.375 -2.744 1.00 0.00 N ATOM 544 CA ILE A 37 -1.421 -11.430 -2.675 1.00 0.00 C ATOM 545 C ILE A 37 -1.396 -10.440 -3.852 1.00 0.00 C ATOM 546 O ILE A 37 -2.450 -9.971 -4.265 1.00 0.00 O ATOM 547 CB ILE A 37 -1.508 -10.695 -1.320 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.326 -9.743 -1.088 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.632 -11.725 -0.187 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.441 -8.948 0.215 1.00 0.00 C ATOM 0 H ILE A 37 0.472 -12.184 -2.103 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.329 -12.027 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.398 -10.066 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.599 -10.319 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.257 -9.049 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.693 -11.207 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.532 -12.322 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.759 -12.377 -0.191 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.425 -8.294 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.350 -8.346 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.480 -9.637 1.059 1.00 0.00 H new ATOM 562 N ALA A 38 -0.241 -10.156 -4.461 1.00 0.00 N ATOM 563 CA ALA A 38 -0.095 -9.192 -5.554 1.00 0.00 C ATOM 564 C ALA A 38 -1.242 -9.185 -6.586 1.00 0.00 C ATOM 565 O ALA A 38 -1.717 -8.100 -6.911 1.00 0.00 O ATOM 566 CB ALA A 38 1.236 -9.426 -6.281 1.00 0.00 C ATOM 0 H ALA A 38 0.639 -10.601 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.124 -8.214 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.339 -8.706 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.061 -9.302 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.255 -10.437 -6.688 1.00 0.00 H new ATOM 572 N PRO A 39 -1.738 -10.327 -7.096 1.00 0.00 N ATOM 573 CA PRO A 39 -2.807 -10.352 -8.086 1.00 0.00 C ATOM 574 C PRO A 39 -4.098 -9.788 -7.486 1.00 0.00 C ATOM 575 O PRO A 39 -4.857 -9.079 -8.141 1.00 0.00 O ATOM 576 CB PRO A 39 -2.973 -11.827 -8.491 1.00 0.00 C ATOM 577 CG PRO A 39 -1.741 -12.528 -7.910 1.00 0.00 C ATOM 578 CD PRO A 39 -1.467 -11.683 -6.673 1.00 0.00 C ATOM 0 HA PRO A 39 -2.573 -9.736 -8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.895 -12.247 -8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.018 -11.938 -9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.942 -13.570 -7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.901 -12.524 -8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.109 -11.976 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.437 -11.795 -6.335 1.00 0.00 H new ATOM 586 N VAL A 40 -4.331 -10.112 -6.214 1.00 0.00 N ATOM 587 CA VAL A 40 -5.463 -9.676 -5.426 1.00 0.00 C ATOM 588 C VAL A 40 -5.308 -8.176 -5.138 1.00 0.00 C ATOM 589 O VAL A 40 -6.282 -7.427 -5.202 1.00 0.00 O ATOM 590 CB VAL A 40 -5.570 -10.597 -4.187 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.196 -9.942 -2.857 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.973 -11.206 -4.085 1.00 0.00 C ATOM 0 H VAL A 40 -3.699 -10.716 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.417 -9.770 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.824 -11.374 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.303 -10.668 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.163 -9.597 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.855 -9.094 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.027 -11.850 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.710 -10.408 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.181 -11.793 -4.979 1.00 0.00 H new ATOM 602 N VAL A 41 -4.080 -7.720 -4.863 1.00 0.00 N ATOM 603 CA VAL A 41 -3.798 -6.300 -4.690 1.00 0.00 C ATOM 604 C VAL A 41 -4.205 -5.598 -5.995 1.00 0.00 C ATOM 605 O VAL A 41 -4.985 -4.646 -5.975 1.00 0.00 O ATOM 606 CB VAL A 41 -2.310 -6.076 -4.326 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.955 -4.594 -4.146 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.911 -6.794 -3.029 1.00 0.00 C ATOM 0 H VAL A 41 -3.264 -8.323 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.367 -5.879 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.762 -6.488 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.899 -4.501 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.154 -4.057 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.560 -4.170 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.858 -6.606 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.519 -6.421 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.072 -7.866 -3.142 1.00 0.00 H new ATOM 618 N ASP A 42 -3.724 -6.112 -7.131 1.00 0.00 N ATOM 619 CA ASP A 42 -4.011 -5.551 -8.444 1.00 0.00 C ATOM 620 C ASP A 42 -5.509 -5.525 -8.736 1.00 0.00 C ATOM 621 O ASP A 42 -6.027 -4.481 -9.118 1.00 0.00 O ATOM 622 CB ASP A 42 -3.301 -6.334 -9.556 1.00 0.00 C ATOM 623 CG ASP A 42 -1.781 -6.349 -9.437 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.225 -5.301 -9.044 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.195 -7.405 -9.757 1.00 0.00 O ATOM 0 H ASP A 42 -3.121 -6.934 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.636 -4.528 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.665 -7.361 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.575 -5.904 -10.519 1.00 0.00 H new ATOM 630 N GLU A 43 -6.220 -6.648 -8.590 1.00 0.00 N ATOM 631 CA GLU A 43 -7.636 -6.690 -8.935 1.00 0.00 C ATOM 632 C GLU A 43 -8.423 -5.688 -8.088 1.00 0.00 C ATOM 633 O GLU A 43 -9.284 -4.982 -8.611 1.00 0.00 O ATOM 634 CB GLU A 43 -8.175 -8.124 -8.841 1.00 0.00 C ATOM 635 CG GLU A 43 -8.675 -8.548 -7.454 1.00 0.00 C ATOM 636 CD GLU A 43 -8.938 -10.049 -7.381 1.00 0.00 C ATOM 637 OE1 GLU A 43 -7.990 -10.813 -7.662 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.087 -10.409 -7.047 1.00 0.00 O ATOM 0 H GLU A 43 -5.840 -7.527 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.765 -6.384 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.993 -8.234 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.388 -8.811 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.937 -8.271 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.591 -8.007 -7.217 1.00 0.00 H new ATOM 645 N ILE A 44 -8.113 -5.590 -6.791 1.00 0.00 N ATOM 646 CA ILE A 44 -8.753 -4.598 -5.935 1.00 0.00 C ATOM 647 C ILE A 44 -8.425 -3.212 -6.478 1.00 0.00 C ATOM 648 O ILE A 44 -9.298 -2.346 -6.572 1.00 0.00 O ATOM 649 CB ILE A 44 -8.312 -4.807 -4.474 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.284 -5.816 -3.839 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.259 -3.504 -3.667 1.00 0.00 C ATOM 652 CD1 ILE A 44 -10.574 -5.206 -3.285 1.00 0.00 C ATOM 0 H ILE A 44 -7.429 -6.181 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.838 -4.706 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.291 -5.188 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.545 -6.566 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.769 -6.336 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.942 -3.720 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.550 -2.818 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.248 -3.046 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.195 -5.994 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.329 -4.478 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.118 -4.712 -4.090 1.00 0.00 H new ATOM 664 N ALA A 45 -7.167 -2.980 -6.851 1.00 0.00 N ATOM 665 CA ALA A 45 -6.799 -1.708 -7.444 1.00 0.00 C ATOM 666 C ALA A 45 -7.633 -1.449 -8.696 1.00 0.00 C ATOM 667 O ALA A 45 -8.032 -0.320 -8.941 1.00 0.00 O ATOM 668 CB ALA A 45 -5.318 -1.701 -7.787 1.00 0.00 C ATOM 0 H ALA A 45 -6.402 -3.647 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.996 -0.914 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.052 -0.742 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.734 -1.855 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.105 -2.501 -8.496 1.00 0.00 H new ATOM 674 N GLY A 46 -7.894 -2.491 -9.489 1.00 0.00 N ATOM 675 CA GLY A 46 -8.744 -2.403 -10.659 1.00 0.00 C ATOM 676 C GLY A 46 -10.141 -1.955 -10.237 1.00 0.00 C ATOM 677 O GLY A 46 -10.656 -0.969 -10.759 1.00 0.00 O ATOM 0 H GLY A 46 -7.514 -3.424 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.324 -1.697 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.796 -3.370 -11.159 1.00 0.00 H new ATOM 681 N GLU A 47 -10.747 -2.663 -9.276 1.00 0.00 N ATOM 682 CA GLU A 47 -12.070 -2.348 -8.763 1.00 0.00 C ATOM 683 C GLU A 47 -12.189 -0.872 -8.405 1.00 0.00 C ATOM 684 O GLU A 47 -13.081 -0.192 -8.907 1.00 0.00 O ATOM 685 CB GLU A 47 -12.385 -3.241 -7.556 1.00 0.00 C ATOM 686 CG GLU A 47 -12.672 -4.692 -7.971 1.00 0.00 C ATOM 687 CD GLU A 47 -14.017 -4.871 -8.678 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.777 -3.879 -8.746 1.00 0.00 O ATOM 689 OE2 GLU A 47 -14.259 -6.007 -9.139 1.00 0.00 O ATOM 0 H GLU A 47 -10.321 -3.478 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.803 -2.547 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.544 -3.222 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.247 -2.839 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.875 -5.037 -8.630 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.649 -5.326 -7.085 1.00 0.00 H new ATOM 696 N TYR A 48 -11.282 -0.363 -7.562 1.00 0.00 N ATOM 697 CA TYR A 48 -11.339 1.041 -7.147 1.00 0.00 C ATOM 698 C TYR A 48 -10.299 1.923 -7.849 1.00 0.00 C ATOM 699 O TYR A 48 -9.795 2.889 -7.259 1.00 0.00 O ATOM 700 CB TYR A 48 -11.176 1.195 -5.637 1.00 0.00 C ATOM 701 CG TYR A 48 -11.946 0.243 -4.750 1.00 0.00 C ATOM 702 CD1 TYR A 48 -11.287 -0.889 -4.240 1.00 0.00 C ATOM 703 CD2 TYR A 48 -13.164 0.654 -4.180 1.00 0.00 C ATOM 704 CE1 TYR A 48 -11.829 -1.591 -3.151 1.00 0.00 C ATOM 705 CE2 TYR A 48 -13.679 -0.018 -3.057 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.995 -1.125 -2.526 1.00 0.00 C ATOM 707 OH TYR A 48 -13.371 -1.670 -1.335 1.00 0.00 O ATOM 0 H TYR A 48 -10.510 -0.895 -7.159 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.331 1.381 -7.446 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.117 1.092 -5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.465 2.211 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.361 -1.220 -4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.705 1.487 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.348 -2.490 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.600 0.317 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.837 -0.995 -0.799 1.00 0.00 H new ATOM 717 N LYS A 49 -9.981 1.618 -9.110 1.00 0.00 N ATOM 718 CA LYS A 49 -9.011 2.390 -9.879 1.00 0.00 C ATOM 719 C LYS A 49 -9.378 3.862 -9.821 1.00 0.00 C ATOM 720 O LYS A 49 -8.542 4.713 -9.514 1.00 0.00 O ATOM 721 CB LYS A 49 -8.960 1.868 -11.322 1.00 0.00 C ATOM 722 CG LYS A 49 -10.301 1.871 -12.075 1.00 0.00 C ATOM 723 CD LYS A 49 -10.209 0.978 -13.320 1.00 0.00 C ATOM 724 CE LYS A 49 -11.593 0.668 -13.904 1.00 0.00 C ATOM 725 NZ LYS A 49 -12.420 -0.113 -12.963 1.00 0.00 N ATOM 0 H LYS A 49 -10.387 0.834 -9.620 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.015 2.275 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.247 2.472 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.573 0.849 -11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.096 1.514 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.561 2.889 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.598 1.471 -14.076 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.707 0.046 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.102 1.600 -14.149 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.479 0.113 -14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.819 -0.938 -13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.832 -0.434 -12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.193 0.483 -12.603 1.00 0.00 H new ATOM 739 N ASP A 50 -10.672 4.083 -10.024 1.00 0.00 N ATOM 740 CA ASP A 50 -11.401 5.336 -9.973 1.00 0.00 C ATOM 741 C ASP A 50 -10.852 6.315 -8.939 1.00 0.00 C ATOM 742 O ASP A 50 -10.610 7.481 -9.238 1.00 0.00 O ATOM 743 CB ASP A 50 -12.878 5.014 -9.672 1.00 0.00 C ATOM 744 CG ASP A 50 -13.258 4.707 -8.225 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.535 3.907 -7.592 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.274 5.275 -7.777 1.00 0.00 O ATOM 0 H ASP A 50 -11.295 3.308 -10.251 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.291 5.832 -10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.480 5.860 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.166 4.158 -10.283 1.00 0.00 H new ATOM 751 N LYS A 51 -10.679 5.820 -7.717 1.00 0.00 N ATOM 752 CA LYS A 51 -10.371 6.607 -6.558 1.00 0.00 C ATOM 753 C LYS A 51 -9.547 5.864 -5.524 1.00 0.00 C ATOM 754 O LYS A 51 -8.419 6.243 -5.224 1.00 0.00 O ATOM 755 CB LYS A 51 -11.705 6.942 -5.878 1.00 0.00 C ATOM 756 CG LYS A 51 -12.521 8.039 -6.567 1.00 0.00 C ATOM 757 CD LYS A 51 -13.642 8.539 -5.643 1.00 0.00 C ATOM 758 CE LYS A 51 -14.532 7.403 -5.114 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.674 7.933 -4.349 1.00 0.00 N ATOM 0 H LYS A 51 -10.755 4.823 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.800 7.473 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.309 6.036 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.506 7.248 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.869 8.869 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.949 7.654 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.201 9.071 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.260 9.256 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.897 6.804 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.942 6.741 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.257 7.144 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.324 8.484 -3.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.248 8.546 -4.962 1.00 0.00 H new ATOM 773 N LEU A 52 -10.079 4.752 -5.033 1.00 0.00 N ATOM 774 CA LEU A 52 -9.660 4.295 -3.705 1.00 0.00 C ATOM 775 C LEU A 52 -8.295 3.576 -3.672 1.00 0.00 C ATOM 776 O LEU A 52 -7.636 3.358 -4.687 1.00 0.00 O ATOM 777 CB LEU A 52 -10.854 3.568 -3.040 1.00 0.00 C ATOM 778 CG LEU A 52 -10.786 3.280 -1.541 1.00 0.00 C ATOM 779 CD1 LEU A 52 -10.458 4.532 -0.720 1.00 0.00 C ATOM 780 CD2 LEU A 52 -12.129 2.708 -1.075 1.00 0.00 C ATOM 0 H LEU A 52 -10.771 4.169 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.422 5.154 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.749 4.163 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.992 2.617 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.982 2.561 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.421 4.274 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.491 4.928 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.228 5.286 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.085 2.501 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.921 3.431 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.338 1.785 -1.615 1.00 0.00 H new ATOM 792 N LYS A 53 -7.904 3.176 -2.465 1.00 0.00 N ATOM 793 CA LYS A 53 -6.589 2.898 -1.978 1.00 0.00 C ATOM 794 C LYS A 53 -5.815 1.632 -2.337 1.00 0.00 C ATOM 795 O LYS A 53 -5.795 0.704 -1.550 1.00 0.00 O ATOM 796 CB LYS A 53 -6.800 2.911 -0.428 1.00 0.00 C ATOM 797 CG LYS A 53 -7.928 2.065 0.223 1.00 0.00 C ATOM 798 CD LYS A 53 -8.283 0.698 -0.404 1.00 0.00 C ATOM 799 CE LYS A 53 -9.595 0.075 0.093 1.00 0.00 C ATOM 800 NZ LYS A 53 -9.930 -1.132 -0.675 1.00 0.00 N ATOM 0 H LYS A 53 -8.597 3.027 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.947 3.632 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.860 2.598 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.966 3.948 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.653 1.891 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.834 2.671 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.342 0.816 -1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.469 0.001 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.505 -0.176 1.150 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.403 0.802 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.340 -1.846 -0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.619 -0.892 -1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.068 -1.514 -1.115 1.00 0.00 H new ATOM 814 N CYS A 54 -4.992 1.632 -3.389 1.00 0.00 N ATOM 815 CA CYS A 54 -4.145 0.465 -3.634 1.00 0.00 C ATOM 816 C CYS A 54 -2.863 0.818 -4.388 1.00 0.00 C ATOM 817 O CYS A 54 -2.950 1.367 -5.482 1.00 0.00 O ATOM 818 CB CYS A 54 -4.958 -0.565 -4.405 1.00 0.00 C ATOM 819 SG CYS A 54 -3.949 -2.046 -4.480 1.00 0.00 S ATOM 0 H CYS A 54 -4.895 2.394 -4.060 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.828 0.059 -2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.906 -0.765 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.194 -0.204 -5.406 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.193 -2.003 -5.537 1.00 0.00 H new ATOM 825 N VAL A 55 -1.684 0.540 -3.806 1.00 0.00 N ATOM 826 CA VAL A 55 -0.386 0.777 -4.444 1.00 0.00 C ATOM 827 C VAL A 55 0.655 -0.233 -3.938 1.00 0.00 C ATOM 828 O VAL A 55 0.385 -0.986 -3.000 1.00 0.00 O ATOM 829 CB VAL A 55 0.090 2.233 -4.231 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.183 2.918 -5.594 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.793 3.091 -3.316 1.00 0.00 C ATOM 0 H VAL A 55 -1.609 0.141 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.505 0.632 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 55 1.052 2.156 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.518 3.947 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.895 2.383 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.797 2.914 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.369 4.092 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.797 3.155 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.841 2.637 -2.326 1.00 0.00 H new ATOM 841 N LYS A 56 1.850 -0.254 -4.547 1.00 0.00 N ATOM 842 CA LYS A 56 2.890 -1.220 -4.202 1.00 0.00 C ATOM 843 C LYS A 56 4.297 -0.607 -4.273 1.00 0.00 C ATOM 844 O LYS A 56 4.749 -0.262 -5.364 1.00 0.00 O ATOM 845 CB LYS A 56 2.747 -2.405 -5.172 1.00 0.00 C ATOM 846 CG LYS A 56 2.181 -3.627 -4.438 1.00 0.00 C ATOM 847 CD LYS A 56 2.083 -4.869 -5.333 1.00 0.00 C ATOM 848 CE LYS A 56 1.116 -4.654 -6.503 1.00 0.00 C ATOM 849 NZ LYS A 56 0.838 -5.915 -7.209 1.00 0.00 N ATOM 0 H LYS A 56 2.116 0.396 -5.287 1.00 0.00 H new ATOM 0 HA LYS A 56 2.765 -1.548 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.090 -2.131 -5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.717 -2.649 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.813 -3.853 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.191 -3.386 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.071 -5.117 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.750 -5.720 -4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.183 -4.229 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.541 -3.931 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.168 -5.738 -7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.723 -6.298 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.426 -6.601 -6.545 1.00 0.00 H new ATOM 863 N LEU A 57 5.007 -0.485 -3.139 1.00 0.00 N ATOM 864 CA LEU A 57 6.370 0.059 -3.131 1.00 0.00 C ATOM 865 C LEU A 57 7.386 -1.066 -3.279 1.00 0.00 C ATOM 866 O LEU A 57 7.455 -1.953 -2.427 1.00 0.00 O ATOM 867 CB LEU A 57 6.679 0.858 -1.857 1.00 0.00 C ATOM 868 CG LEU A 57 8.007 1.637 -1.912 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.741 3.136 -2.081 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.772 1.437 -0.599 1.00 0.00 C ATOM 0 H LEU A 57 4.658 -0.756 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 57 6.440 0.744 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.865 1.560 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.706 0.174 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 57 8.587 1.267 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.689 3.672 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.192 3.306 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.152 3.498 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.712 1.988 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.170 1.804 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.979 0.376 -0.456 1.00 0.00 H new ATOM 882 N ASN A 58 8.188 -1.050 -4.350 1.00 0.00 N ATOM 883 CA ASN A 58 9.246 -2.048 -4.463 1.00 0.00 C ATOM 884 C ASN A 58 10.334 -1.675 -3.460 1.00 0.00 C ATOM 885 O ASN A 58 11.084 -0.724 -3.654 1.00 0.00 O ATOM 886 CB ASN A 58 9.774 -2.192 -5.890 1.00 0.00 C ATOM 887 CG ASN A 58 10.864 -3.266 -5.925 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.849 -3.192 -5.195 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.687 -4.304 -6.734 1.00 0.00 N ATOM 0 H ASN A 58 8.127 -0.384 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 58 8.851 -3.036 -4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.961 -2.462 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.175 -1.240 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.375 -5.057 -6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.863 -4.349 -7.333 1.00 0.00 H new ATOM 896 N THR A 59 10.397 -2.451 -2.386 1.00 0.00 N ATOM 897 CA THR A 59 11.243 -2.229 -1.233 1.00 0.00 C ATOM 898 C THR A 59 12.713 -2.248 -1.611 1.00 0.00 C ATOM 899 O THR A 59 13.492 -1.435 -1.130 1.00 0.00 O ATOM 900 CB THR A 59 10.922 -3.328 -0.220 1.00 0.00 C ATOM 901 OG1 THR A 59 9.554 -3.224 0.124 1.00 0.00 O ATOM 902 CG2 THR A 59 11.793 -3.211 1.024 1.00 0.00 C ATOM 0 H THR A 59 9.829 -3.293 -2.296 1.00 0.00 H new ATOM 0 HA THR A 59 11.050 -1.245 -0.807 1.00 0.00 H new ATOM 0 HB THR A 59 11.130 -4.301 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.015 -3.724 -0.524 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.538 -4.008 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.843 -3.297 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.622 -2.244 1.498 1.00 0.00 H new ATOM 910 N ASP A 60 13.093 -3.180 -2.477 1.00 0.00 N ATOM 911 CA ASP A 60 14.471 -3.338 -2.908 1.00 0.00 C ATOM 912 C ASP A 60 14.924 -2.102 -3.697 1.00 0.00 C ATOM 913 O ASP A 60 16.072 -1.676 -3.599 1.00 0.00 O ATOM 914 CB ASP A 60 14.524 -4.633 -3.709 1.00 0.00 C ATOM 915 CG ASP A 60 15.841 -4.794 -4.454 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.848 -5.076 -3.769 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.810 -4.635 -5.693 1.00 0.00 O ATOM 0 H ASP A 60 12.449 -3.849 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 60 15.167 -3.410 -2.072 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.382 -5.480 -3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.700 -4.651 -4.423 1.00 0.00 H new ATOM 922 N GLU A 61 13.991 -1.504 -4.444 1.00 0.00 N ATOM 923 CA GLU A 61 14.202 -0.287 -5.212 1.00 0.00 C ATOM 924 C GLU A 61 13.948 0.963 -4.346 1.00 0.00 C ATOM 925 O GLU A 61 14.325 2.070 -4.727 1.00 0.00 O ATOM 926 CB GLU A 61 13.311 -0.370 -6.456 1.00 0.00 C ATOM 927 CG GLU A 61 13.443 0.838 -7.392 1.00 0.00 C ATOM 928 CD GLU A 61 12.674 0.658 -8.701 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.180 -0.467 -8.936 1.00 0.00 O ATOM 930 OE2 GLU A 61 12.607 1.656 -9.450 1.00 0.00 O ATOM 0 H GLU A 61 13.042 -1.869 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 61 15.239 -0.194 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.559 -1.276 -7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.271 -0.463 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.079 1.729 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.497 1.006 -7.615 1.00 0.00 H new ATOM 937 N SER A 62 13.297 0.836 -3.184 1.00 0.00 N ATOM 938 CA SER A 62 13.100 1.947 -2.255 1.00 0.00 C ATOM 939 C SER A 62 13.303 1.538 -0.794 1.00 0.00 C ATOM 940 O SER A 62 12.386 1.655 0.020 1.00 0.00 O ATOM 941 CB SER A 62 11.745 2.590 -2.499 1.00 0.00 C ATOM 942 OG SER A 62 11.841 3.227 -3.759 1.00 0.00 O ATOM 0 H SER A 62 12.892 -0.044 -2.864 1.00 0.00 H new ATOM 0 HA SER A 62 13.871 2.693 -2.450 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.952 1.842 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.506 3.309 -1.715 1.00 0.00 H new ATOM 0 HG SER A 62 12.766 3.513 -3.912 1.00 0.00 H new ATOM 948 N PRO A 63 14.536 1.141 -0.446 1.00 0.00 N ATOM 949 CA PRO A 63 14.935 0.820 0.908 1.00 0.00 C ATOM 950 C PRO A 63 14.942 2.106 1.731 1.00 0.00 C ATOM 951 O PRO A 63 14.761 2.065 2.940 1.00 0.00 O ATOM 952 CB PRO A 63 16.332 0.207 0.799 1.00 0.00 C ATOM 953 CG PRO A 63 16.896 0.824 -0.481 1.00 0.00 C ATOM 954 CD PRO A 63 15.654 0.975 -1.358 1.00 0.00 C ATOM 0 HA PRO A 63 14.258 0.121 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.946 0.451 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.289 -0.880 0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.376 1.784 -0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.643 0.181 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.747 1.835 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.514 0.098 -1.991 1.00 0.00 H new ATOM 962 N ASN A 64 15.154 3.244 1.064 1.00 0.00 N ATOM 963 CA ASN A 64 15.149 4.581 1.646 1.00 0.00 C ATOM 964 C ASN A 64 13.926 4.774 2.538 1.00 0.00 C ATOM 965 O ASN A 64 14.028 4.835 3.760 1.00 0.00 O ATOM 966 CB ASN A 64 15.101 5.621 0.518 1.00 0.00 C ATOM 967 CG ASN A 64 16.439 5.875 -0.166 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.449 5.254 0.146 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.443 6.781 -1.136 1.00 0.00 N ATOM 0 H ASN A 64 15.341 3.255 0.061 1.00 0.00 H new ATOM 0 HA ASN A 64 16.052 4.704 2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.381 5.292 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.731 6.562 0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.304 6.978 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.585 7.280 -1.371 1.00 0.00 H new ATOM 976 N VAL A 65 12.761 4.857 1.895 1.00 0.00 N ATOM 977 CA VAL A 65 11.466 5.066 2.518 1.00 0.00 C ATOM 978 C VAL A 65 11.273 4.052 3.645 1.00 0.00 C ATOM 979 O VAL A 65 10.928 4.396 4.776 1.00 0.00 O ATOM 980 CB VAL A 65 10.401 4.926 1.417 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.992 5.051 1.991 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.587 6.002 0.336 1.00 0.00 C ATOM 0 H VAL A 65 12.698 4.776 0.880 1.00 0.00 H new ATOM 0 HA VAL A 65 11.385 6.056 2.967 1.00 0.00 H new ATOM 0 HB VAL A 65 10.525 3.937 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.262 4.948 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.830 4.268 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.877 6.027 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.822 5.883 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.497 6.990 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.574 5.898 -0.115 1.00 0.00 H new ATOM 992 N ALA A 66 11.519 2.788 3.309 1.00 0.00 N ATOM 993 CA ALA A 66 11.409 1.681 4.248 1.00 0.00 C ATOM 994 C ALA A 66 12.247 1.956 5.505 1.00 0.00 C ATOM 995 O ALA A 66 11.759 1.778 6.618 1.00 0.00 O ATOM 996 CB ALA A 66 11.826 0.376 3.564 1.00 0.00 C ATOM 0 H ALA A 66 11.802 2.504 2.371 1.00 0.00 H new ATOM 0 HA ALA A 66 10.371 1.580 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.742 -0.449 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.176 0.189 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.858 0.457 3.223 1.00 0.00 H new ATOM 1002 N SER A 67 13.488 2.417 5.340 1.00 0.00 N ATOM 1003 CA SER A 67 14.391 2.725 6.443 1.00 0.00 C ATOM 1004 C SER A 67 13.909 3.947 7.220 1.00 0.00 C ATOM 1005 O SER A 67 13.967 3.954 8.446 1.00 0.00 O ATOM 1006 CB SER A 67 15.812 2.951 5.917 1.00 0.00 C ATOM 1007 OG SER A 67 16.260 1.806 5.221 1.00 0.00 O ATOM 0 H SER A 67 13.897 2.588 4.422 1.00 0.00 H new ATOM 0 HA SER A 67 14.400 1.874 7.125 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.830 3.818 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.485 3.168 6.747 1.00 0.00 H new ATOM 0 HG SER A 67 15.792 1.741 4.363 1.00 0.00 H new ATOM 1013 N GLU A 68 13.439 4.977 6.512 1.00 0.00 N ATOM 1014 CA GLU A 68 12.910 6.192 7.124 1.00 0.00 C ATOM 1015 C GLU A 68 11.778 5.833 8.091 1.00 0.00 C ATOM 1016 O GLU A 68 11.707 6.376 9.190 1.00 0.00 O ATOM 1017 CB GLU A 68 12.417 7.157 6.040 1.00 0.00 C ATOM 1018 CG GLU A 68 13.584 7.769 5.252 1.00 0.00 C ATOM 1019 CD GLU A 68 13.093 8.448 3.977 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.335 9.432 4.115 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.471 7.964 2.888 1.00 0.00 O ATOM 0 H GLU A 68 13.416 4.989 5.492 1.00 0.00 H new ATOM 0 HA GLU A 68 13.702 6.688 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.754 6.628 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.831 7.953 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.106 8.495 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.303 6.990 4.999 1.00 0.00 H new ATOM 1028 N TYR A 69 10.904 4.905 7.687 1.00 0.00 N ATOM 1029 CA TYR A 69 9.822 4.444 8.550 1.00 0.00 C ATOM 1030 C TYR A 69 10.347 3.438 9.582 1.00 0.00 C ATOM 1031 O TYR A 69 9.834 3.379 10.697 1.00 0.00 O ATOM 1032 CB TYR A 69 8.720 3.810 7.695 1.00 0.00 C ATOM 1033 CG TYR A 69 7.796 4.824 7.048 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.007 5.670 7.851 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.794 4.990 5.652 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.304 6.742 7.272 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.092 6.061 5.074 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.388 6.962 5.887 1.00 0.00 C ATOM 1039 OH TYR A 69 5.814 8.062 5.328 1.00 0.00 O ATOM 0 H TYR A 69 10.928 4.462 6.769 1.00 0.00 H new ATOM 0 HA TYR A 69 9.409 5.297 9.089 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.180 3.201 6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.130 3.138 8.318 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.941 5.495 8.915 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.332 4.295 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.703 7.393 7.889 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.094 6.191 4.002 1.00 0.00 H new ATOM 0 HH TYR A 69 4.954 7.815 4.929 1.00 0.00 H new ATOM 1049 N GLY A 70 11.350 2.644 9.213 1.00 0.00 N ATOM 1050 CA GLY A 70 11.980 1.661 10.083 1.00 0.00 C ATOM 1051 C GLY A 70 11.343 0.288 9.899 1.00 0.00 C ATOM 1052 O GLY A 70 11.197 -0.480 10.848 1.00 0.00 O ATOM 0 H GLY A 70 11.755 2.669 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.046 1.605 9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.885 1.975 11.123 1.00 0.00 H new ATOM 1056 N ILE A 71 10.964 -0.030 8.661 1.00 0.00 N ATOM 1057 CA ILE A 71 10.367 -1.305 8.314 1.00 0.00 C ATOM 1058 C ILE A 71 11.490 -2.343 8.325 1.00 0.00 C ATOM 1059 O ILE A 71 12.319 -2.382 7.418 1.00 0.00 O ATOM 1060 CB ILE A 71 9.659 -1.183 6.955 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.529 -0.145 7.085 1.00 0.00 C ATOM 1062 CG2 ILE A 71 9.098 -2.541 6.515 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.799 0.090 5.766 1.00 0.00 C ATOM 0 H ILE A 71 11.067 0.602 7.867 1.00 0.00 H new ATOM 0 HA ILE A 71 9.602 -1.617 9.025 1.00 0.00 H new ATOM 0 HB ILE A 71 10.371 -0.859 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.815 -0.482 7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.945 0.798 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.601 -2.434 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.913 -3.259 6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.381 -2.896 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.012 0.830 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.505 0.454 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.358 -0.846 5.423 1.00 0.00 H new ATOM 1075 N ARG A 72 11.490 -3.212 9.337 1.00 0.00 N ATOM 1076 CA ARG A 72 12.550 -4.190 9.538 1.00 0.00 C ATOM 1077 C ARG A 72 12.393 -5.371 8.578 1.00 0.00 C ATOM 1078 O ARG A 72 13.376 -6.030 8.239 1.00 0.00 O ATOM 1079 CB ARG A 72 12.494 -4.660 10.999 1.00 0.00 C ATOM 1080 CG ARG A 72 13.589 -5.683 11.336 1.00 0.00 C ATOM 1081 CD ARG A 72 13.571 -6.044 12.825 1.00 0.00 C ATOM 1082 NE ARG A 72 13.902 -4.887 13.667 1.00 0.00 N ATOM 1083 CZ ARG A 72 13.891 -4.892 15.007 1.00 0.00 C ATOM 1084 NH1 ARG A 72 13.572 -6.006 15.675 1.00 0.00 N ATOM 1085 NH2 ARG A 72 14.201 -3.776 15.674 1.00 0.00 N ATOM 0 H ARG A 72 10.752 -3.254 10.039 1.00 0.00 H new ATOM 0 HA ARG A 72 13.519 -3.736 9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.594 -3.797 11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.517 -5.101 11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.445 -6.584 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.565 -5.276 11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.585 -6.422 13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.283 -6.847 13.014 1.00 0.00 H new ATOM 0 HE ARG A 72 14.158 -4.018 13.199 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.336 -6.857 15.164 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.565 -6.005 16.695 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.444 -2.927 15.163 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.195 -3.773 16.694 1.00 0.00 H new ATOM 1099 N SER A 73 11.170 -5.669 8.144 1.00 0.00 N ATOM 1100 CA SER A 73 10.892 -6.736 7.200 1.00 0.00 C ATOM 1101 C SER A 73 9.586 -6.390 6.499 1.00 0.00 C ATOM 1102 O SER A 73 8.813 -5.590 7.023 1.00 0.00 O ATOM 1103 CB SER A 73 10.790 -8.082 7.928 1.00 0.00 C ATOM 1104 OG SER A 73 11.914 -8.298 8.761 1.00 0.00 O ATOM 0 H SER A 73 10.336 -5.165 8.446 1.00 0.00 H new ATOM 0 HA SER A 73 11.697 -6.829 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.880 -8.107 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.714 -8.888 7.199 1.00 0.00 H new ATOM 0 HG SER A 73 11.824 -9.162 9.215 1.00 0.00 H new ATOM 1110 N ILE A 74 9.357 -6.975 5.325 1.00 0.00 N ATOM 1111 CA ILE A 74 8.149 -6.787 4.539 1.00 0.00 C ATOM 1112 C ILE A 74 7.450 -8.144 4.497 1.00 0.00 C ATOM 1113 O ILE A 74 8.128 -9.159 4.665 1.00 0.00 O ATOM 1114 CB ILE A 74 8.501 -6.252 3.142 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.575 -7.083 2.426 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.938 -4.789 3.291 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.553 -6.799 0.921 1.00 0.00 C ATOM 0 H ILE A 74 10.026 -7.608 4.887 1.00 0.00 H new ATOM 0 HA ILE A 74 7.482 -6.045 4.977 1.00 0.00 H new ATOM 0 HB ILE A 74 7.616 -6.327 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.558 -6.847 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.402 -8.144 2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.194 -4.384 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.123 -4.208 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.808 -4.734 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.320 -7.395 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.575 -7.058 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.749 -5.741 0.748 1.00 0.00 H new ATOM 1129 N PRO A 75 6.133 -8.226 4.266 1.00 0.00 N ATOM 1130 CA PRO A 75 5.199 -7.153 3.952 1.00 0.00 C ATOM 1131 C PRO A 75 4.945 -6.186 5.108 1.00 0.00 C ATOM 1132 O PRO A 75 5.266 -6.454 6.265 1.00 0.00 O ATOM 1133 CB PRO A 75 3.896 -7.854 3.551 1.00 0.00 C ATOM 1134 CG PRO A 75 3.978 -9.204 4.266 1.00 0.00 C ATOM 1135 CD PRO A 75 5.470 -9.510 4.237 1.00 0.00 C ATOM 0 HA PRO A 75 5.616 -6.529 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.021 -7.286 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.823 -7.977 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.597 -9.146 5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.398 -9.970 3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.761 -10.120 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.738 -10.069 3.340 1.00 0.00 H new ATOM 1143 N THR A 76 4.420 -5.019 4.747 1.00 0.00 N ATOM 1144 CA THR A 76 3.979 -3.944 5.616 1.00 0.00 C ATOM 1145 C THR A 76 3.052 -3.134 4.712 1.00 0.00 C ATOM 1146 O THR A 76 3.442 -2.778 3.600 1.00 0.00 O ATOM 1147 CB THR A 76 5.167 -3.139 6.164 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.864 -3.902 7.129 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.700 -1.857 6.857 1.00 0.00 C ATOM 0 H THR A 76 4.283 -4.787 3.763 1.00 0.00 H new ATOM 0 HA THR A 76 3.470 -4.283 6.518 1.00 0.00 H new ATOM 0 HB THR A 76 5.805 -2.893 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.648 -4.851 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.565 -1.311 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.160 -1.234 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.042 -2.112 7.688 1.00 0.00 H new ATOM 1157 N ILE A 77 1.814 -2.922 5.148 1.00 0.00 N ATOM 1158 CA ILE A 77 0.760 -2.300 4.369 1.00 0.00 C ATOM 1159 C ILE A 77 0.356 -1.003 5.059 1.00 0.00 C ATOM 1160 O ILE A 77 -0.300 -1.047 6.097 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.395 -3.312 4.254 1.00 0.00 C ATOM 1162 CG1 ILE A 77 0.078 -4.510 3.406 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.612 -2.653 3.611 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.946 -5.643 3.319 1.00 0.00 C ATOM 0 H ILE A 77 1.512 -3.189 6.085 1.00 0.00 H new ATOM 0 HA ILE A 77 1.078 -2.041 3.359 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.682 -3.658 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.309 -4.163 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.004 -4.900 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.421 -3.379 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.936 -1.811 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.349 -2.298 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.544 -6.450 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.160 -6.018 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.865 -5.269 2.868 1.00 0.00 H new ATOM 1176 N MET A 78 0.746 0.145 4.497 1.00 0.00 N ATOM 1177 CA MET A 78 0.449 1.452 5.080 1.00 0.00 C ATOM 1178 C MET A 78 -0.681 2.138 4.320 1.00 0.00 C ATOM 1179 O MET A 78 -0.642 2.209 3.092 1.00 0.00 O ATOM 1180 CB MET A 78 1.688 2.350 5.049 1.00 0.00 C ATOM 1181 CG MET A 78 2.795 1.841 5.969 1.00 0.00 C ATOM 1182 SD MET A 78 4.243 2.918 6.096 1.00 0.00 S ATOM 1183 CE MET A 78 5.024 2.166 7.537 1.00 0.00 C ATOM 0 H MET A 78 1.276 0.192 3.626 1.00 0.00 H new ATOM 0 HA MET A 78 0.143 1.292 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.066 2.409 4.028 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.409 3.361 5.345 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.380 1.697 6.967 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.119 0.862 5.615 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.097 2.353 7.508 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.604 2.598 8.445 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.843 1.091 7.530 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.669 2.660 5.052 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.752 3.447 4.480 1.00 0.00 C ATOM 1195 C VAL A 79 -2.422 4.908 4.738 1.00 0.00 C ATOM 1196 O VAL A 79 -2.466 5.337 5.890 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.116 3.093 5.096 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.210 4.051 4.589 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.501 1.654 4.739 1.00 0.00 C ATOM 0 H VAL A 79 -1.736 2.545 6.063 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.834 3.236 3.414 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.032 3.191 6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.166 3.782 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.955 5.074 4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.285 3.976 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.468 1.416 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.562 1.552 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.747 0.969 5.126 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.095 5.661 3.690 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.859 7.094 3.797 1.00 0.00 C ATOM 1211 C PHE A 80 -3.173 7.804 3.499 1.00 0.00 C ATOM 1212 O PHE A 80 -3.937 7.326 2.660 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.748 7.521 2.836 1.00 0.00 C ATOM 1214 CG PHE A 80 0.618 7.070 3.307 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.080 5.779 2.999 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.380 7.900 4.147 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.346 5.360 3.443 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.635 7.471 4.612 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.118 6.198 4.262 1.00 0.00 C ATOM 0 H PHE A 80 -1.987 5.293 2.745 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.525 7.361 4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.945 7.106 1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.755 8.606 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.462 5.108 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.001 8.869 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.725 4.391 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.229 8.120 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.080 5.866 4.622 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.447 8.917 4.191 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.678 9.688 4.001 1.00 0.00 C ATOM 1231 C LYS A 81 -4.380 11.190 4.023 1.00 0.00 C ATOM 1232 O LYS A 81 -5.018 11.964 4.734 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.747 9.227 5.018 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.664 9.753 6.461 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.237 9.785 7.020 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.224 10.166 8.504 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.830 11.488 8.738 1.00 0.00 N ATOM 0 H LYS A 81 -2.822 9.306 4.897 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.100 9.496 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.724 9.503 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.717 8.138 5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.082 10.759 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.283 9.127 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.772 8.808 6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.639 10.500 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.765 9.413 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.197 10.168 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.696 11.760 9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.376 12.192 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.847 11.446 8.525 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.393 11.599 3.222 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.978 12.988 3.127 1.00 0.00 C ATOM 1253 C GLY A 82 -1.707 13.206 3.937 1.00 0.00 C ATOM 1254 O GLY A 82 -1.753 13.712 5.057 1.00 0.00 O ATOM 0 H GLY A 82 -2.861 10.969 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.805 13.254 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.771 13.639 3.495 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.564 12.797 3.384 1.00 0.00 N ATOM 1259 CA GLY A 83 0.741 12.953 4.007 1.00 0.00 C ATOM 1260 C GLY A 83 0.966 11.949 5.132 1.00 0.00 C ATOM 1261 O GLY A 83 1.884 11.134 5.077 1.00 0.00 O ATOM 0 H GLY A 83 -0.524 12.340 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.519 12.831 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.835 13.965 4.401 1.00 0.00 H new ATOM 1265 N LYS A 84 0.132 12.023 6.165 1.00 0.00 N ATOM 1266 CA LYS A 84 0.217 11.173 7.338 1.00 0.00 C ATOM 1267 C LYS A 84 -0.448 9.816 7.084 1.00 0.00 C ATOM 1268 O LYS A 84 -1.228 9.639 6.142 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.431 11.894 8.527 1.00 0.00 C ATOM 1270 CG LYS A 84 0.150 13.296 8.772 1.00 0.00 C ATOM 1271 CD LYS A 84 1.654 13.262 9.080 1.00 0.00 C ATOM 1272 CE LYS A 84 2.145 14.654 9.489 1.00 0.00 C ATOM 1273 NZ LYS A 84 3.591 14.652 9.771 1.00 0.00 N ATOM 0 H LYS A 84 -0.637 12.692 6.206 1.00 0.00 H new ATOM 0 HA LYS A 84 1.265 10.978 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.504 11.977 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.300 11.291 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.024 13.917 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.378 13.765 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.852 12.549 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.204 12.918 8.204 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.929 15.366 8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.601 14.989 10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.893 15.609 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.792 13.990 10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.110 14.356 8.920 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.117 8.858 7.954 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.649 7.508 7.924 1.00 0.00 C ATOM 1289 C LYS A 85 -1.923 7.433 8.756 1.00 0.00 C ATOM 1290 O LYS A 85 -2.086 8.164 9.730 1.00 0.00 O ATOM 1291 CB LYS A 85 0.360 6.516 8.503 1.00 0.00 C ATOM 1292 CG LYS A 85 1.653 6.466 7.687 1.00 0.00 C ATOM 1293 CD LYS A 85 2.519 5.260 8.075 1.00 0.00 C ATOM 1294 CE LYS A 85 2.696 5.091 9.587 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.292 6.286 10.209 1.00 0.00 N ATOM 0 H LYS A 85 0.545 9.011 8.714 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.858 7.253 6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.592 6.794 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.087 5.522 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.412 6.415 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.218 7.385 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.069 4.355 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.500 5.365 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.728 4.888 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.329 4.226 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.805 6.010 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.952 6.733 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.540 6.961 10.456 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.800 6.515 8.365 1.00 0.00 N ATOM 1310 CA CYS A 86 -4.053 6.201 9.029 1.00 0.00 C ATOM 1311 C CYS A 86 -3.905 4.834 9.676 1.00 0.00 C ATOM 1312 O CYS A 86 -4.089 4.687 10.880 1.00 0.00 O ATOM 1313 CB CYS A 86 -5.191 6.171 8.009 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.760 5.910 8.874 1.00 0.00 S ATOM 0 H CYS A 86 -2.645 5.943 7.535 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.285 6.956 9.780 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.221 7.107 7.452 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.025 5.374 7.284 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.669 4.856 9.629 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.575 3.839 8.848 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.376 2.454 9.251 1.00 0.00 C ATOM 1322 C GLU A 87 -1.984 1.993 8.813 1.00 0.00 C ATOM 1323 O GLU A 87 -1.373 2.575 7.915 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.444 1.547 8.619 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.875 2.054 8.838 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.247 2.107 10.318 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.219 1.028 10.954 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.608 3.210 10.777 1.00 0.00 O ATOM 0 H GLU A 87 -3.436 3.985 7.848 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.463 2.387 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.254 1.465 7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.353 0.544 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.977 3.048 8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.574 1.403 8.312 1.00 0.00 H new ATOM 1335 N THR A 88 -1.484 0.936 9.449 1.00 0.00 N ATOM 1336 CA THR A 88 -0.220 0.276 9.148 1.00 0.00 C ATOM 1337 C THR A 88 -0.413 -1.169 9.595 1.00 0.00 C ATOM 1338 O THR A 88 -0.274 -1.478 10.775 1.00 0.00 O ATOM 1339 CB THR A 88 0.949 0.990 9.841 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.122 2.269 9.259 1.00 0.00 O ATOM 1341 CG2 THR A 88 2.268 0.224 9.682 1.00 0.00 C ATOM 0 H THR A 88 -1.976 0.496 10.227 1.00 0.00 H new ATOM 0 HA THR A 88 0.039 0.309 8.090 1.00 0.00 H new ATOM 0 HB THR A 88 0.707 1.057 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.386 2.448 8.637 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.067 0.766 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.168 -0.768 10.122 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.508 0.129 8.623 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.828 -2.020 8.660 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.196 -3.404 8.892 1.00 0.00 C ATOM 1351 C ILE A 89 -0.057 -4.297 8.399 1.00 0.00 C ATOM 1352 O ILE A 89 0.640 -3.950 7.447 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.521 -3.701 8.150 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.534 -2.546 8.319 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.138 -5.006 8.677 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.846 -2.775 7.566 1.00 0.00 C ATOM 0 H ILE A 89 -0.919 -1.747 7.681 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.353 -3.600 9.953 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.293 -3.803 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.750 -2.414 9.379 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.079 -1.619 7.969 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.070 -5.207 8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.443 -5.829 8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.339 -4.909 9.744 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.511 -1.927 7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.641 -2.877 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.322 -3.684 7.933 1.00 0.00 H new ATOM 1368 N ILE A 90 0.165 -5.433 9.057 1.00 0.00 N ATOM 1369 CA ILE A 90 1.151 -6.406 8.619 1.00 0.00 C ATOM 1370 C ILE A 90 0.488 -7.205 7.488 1.00 0.00 C ATOM 1371 O ILE A 90 -0.738 -7.305 7.445 1.00 0.00 O ATOM 1372 CB ILE A 90 1.585 -7.289 9.810 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.318 -6.477 10.899 1.00 0.00 C ATOM 1374 CG2 ILE A 90 2.548 -8.392 9.341 1.00 0.00 C ATOM 1375 CD1 ILE A 90 1.420 -5.596 11.775 1.00 0.00 C ATOM 0 H ILE A 90 -0.334 -5.700 9.906 1.00 0.00 H new ATOM 0 HA ILE A 90 2.065 -5.941 8.249 1.00 0.00 H new ATOM 0 HB ILE A 90 0.670 -7.713 10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.859 -7.170 11.543 1.00 0.00 H new ATOM 0 HG13 ILE A 90 3.062 -5.843 10.417 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.843 -9.004 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.051 -9.018 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.434 -7.937 8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.031 -5.068 12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.898 -4.872 11.149 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.692 -6.220 12.293 1.00 0.00 H new ATOM 1387 N GLY A 91 1.270 -7.731 6.541 1.00 0.00 N ATOM 1388 CA GLY A 91 0.712 -8.528 5.456 1.00 0.00 C ATOM 1389 C GLY A 91 0.296 -9.919 5.939 1.00 0.00 C ATOM 1390 O GLY A 91 0.093 -10.142 7.129 1.00 0.00 O ATOM 0 H GLY A 91 2.283 -7.618 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.152 -8.015 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.448 -8.624 4.658 1.00 0.00 H new ATOM 1394 N ALA A 92 0.196 -10.869 5.002 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.238 -12.238 5.271 1.00 0.00 C ATOM 1396 C ALA A 92 -1.644 -12.245 5.889 1.00 0.00 C ATOM 1397 O ALA A 92 -1.912 -12.945 6.862 1.00 0.00 O ATOM 1398 CB ALA A 92 0.793 -12.969 6.143 1.00 0.00 C ATOM 0 H ALA A 92 0.419 -10.702 4.021 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.301 -12.784 4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.453 -13.987 6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.752 -12.998 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.907 -12.442 7.090 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.546 -11.467 5.285 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.959 -11.358 5.627 1.00 0.00 C ATOM 1406 C VAL A 93 -4.718 -11.554 4.316 1.00 0.00 C ATOM 1407 O VAL A 93 -4.167 -11.226 3.263 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.332 -9.959 6.162 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -5.153 -10.022 7.446 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.145 -9.010 6.368 1.00 0.00 C ATOM 0 H VAL A 93 -2.292 -10.865 4.502 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.198 -12.087 6.401 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.940 -9.540 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.387 -9.011 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.079 -10.567 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.580 -10.534 8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.505 -8.053 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.451 -9.446 7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.633 -8.856 5.418 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.967 -12.038 4.333 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.778 -12.051 3.143 1.00 0.00 C ATOM 1422 C PRO A 94 -7.135 -10.597 2.882 1.00 0.00 C ATOM 1423 O PRO A 94 -7.469 -9.858 3.811 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.033 -12.865 3.455 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.727 -13.507 4.816 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.761 -12.502 5.446 1.00 0.00 C ATOM 0 HA PRO A 94 -6.281 -12.488 2.277 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.919 -12.232 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.221 -13.619 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.628 -13.635 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.274 -14.492 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.295 -11.681 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.141 -12.969 6.211 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.111 -10.174 1.625 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.406 -8.783 1.352 1.00 0.00 C ATOM 1436 C LYS A 95 -8.875 -8.487 1.677 1.00 0.00 C ATOM 1437 O LYS A 95 -9.210 -7.333 1.903 1.00 0.00 O ATOM 1438 CB LYS A 95 -7.003 -8.412 -0.083 1.00 0.00 C ATOM 1439 CG LYS A 95 -7.358 -6.950 -0.399 1.00 0.00 C ATOM 1440 CD LYS A 95 -6.377 -6.240 -1.340 1.00 0.00 C ATOM 1441 CE LYS A 95 -5.059 -5.906 -0.627 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.390 -4.747 -1.244 1.00 0.00 N ATOM 0 H LYS A 95 -6.899 -10.751 0.811 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.808 -8.143 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.932 -8.566 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.508 -9.072 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.353 -6.920 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.410 -6.393 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.175 -6.874 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.831 -5.324 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.256 -5.697 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.396 -6.771 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.567 -4.475 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.075 -4.998 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.055 -3.949 -1.296 1.00 0.00 H new ATOM 1456 N ALA A 96 -9.755 -9.493 1.755 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.134 -9.258 2.178 1.00 0.00 C ATOM 1458 C ALA A 96 -11.131 -8.536 3.535 1.00 0.00 C ATOM 1459 O ALA A 96 -11.773 -7.499 3.708 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.879 -10.593 2.265 1.00 0.00 C ATOM 0 H ALA A 96 -9.537 -10.464 1.533 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.647 -8.629 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.907 -10.416 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.877 -11.075 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.383 -11.240 2.989 1.00 0.00 H new ATOM 1466 N THR A 97 -10.364 -9.073 4.487 1.00 0.00 N ATOM 1467 CA THR A 97 -10.185 -8.511 5.814 1.00 0.00 C ATOM 1468 C THR A 97 -9.685 -7.068 5.700 1.00 0.00 C ATOM 1469 O THR A 97 -10.225 -6.161 6.335 1.00 0.00 O ATOM 1470 CB THR A 97 -9.187 -9.414 6.556 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.613 -10.755 6.405 1.00 0.00 O ATOM 1472 CG2 THR A 97 -9.069 -9.094 8.046 1.00 0.00 C ATOM 0 H THR A 97 -9.838 -9.935 4.345 1.00 0.00 H new ATOM 0 HA THR A 97 -11.122 -8.475 6.370 1.00 0.00 H new ATOM 0 HB THR A 97 -8.202 -9.244 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.205 -11.308 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.348 -9.769 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.734 -8.064 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.041 -9.220 8.523 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.661 -6.855 4.870 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.073 -5.541 4.657 1.00 0.00 C ATOM 1482 C ILE A 98 -9.144 -4.569 4.142 1.00 0.00 C ATOM 1483 O ILE A 98 -9.285 -3.474 4.682 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.861 -5.663 3.712 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.782 -6.541 4.376 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.295 -4.273 3.391 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.526 -6.713 3.517 1.00 0.00 C ATOM 0 H ILE A 98 -8.218 -7.596 4.327 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.703 -5.132 5.597 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.177 -6.128 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.502 -6.099 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.204 -7.523 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.440 -4.374 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.064 -3.670 2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.979 -3.787 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.808 -7.342 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.794 -7.183 2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.081 -5.737 3.324 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.914 -4.955 3.120 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.979 -4.131 2.570 1.00 0.00 C ATOM 1501 C VAL A 99 -11.912 -3.723 3.700 1.00 0.00 C ATOM 1502 O VAL A 99 -12.093 -2.531 3.920 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.735 -4.876 1.457 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.010 -4.130 1.038 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.844 -5.004 0.221 1.00 0.00 C ATOM 0 H VAL A 99 -9.810 -5.855 2.652 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.553 -3.236 2.116 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.004 -5.855 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.516 -4.688 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.674 -4.033 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.747 -3.139 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.385 -5.533 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.569 -4.011 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.943 -5.560 0.478 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.480 -4.685 4.433 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.373 -4.369 5.546 1.00 0.00 C ATOM 1517 C GLN A 100 -12.715 -3.371 6.505 1.00 0.00 C ATOM 1518 O GLN A 100 -13.331 -2.381 6.906 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.761 -5.657 6.281 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.562 -6.645 5.418 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.872 -6.063 4.899 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.929 -6.263 5.486 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -15.814 -5.347 3.780 1.00 0.00 N ATOM 0 H GLN A 100 -12.337 -5.683 4.275 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.276 -3.904 5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.855 -6.149 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.349 -5.399 7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.950 -6.957 4.572 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.776 -7.539 6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.918 -5.199 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.665 -4.946 3.386 1.00 0.00 H new ATOM 1532 N THR A 101 -11.449 -3.625 6.839 1.00 0.00 N ATOM 1533 CA THR A 101 -10.672 -2.766 7.722 1.00 0.00 C ATOM 1534 C THR A 101 -10.549 -1.357 7.132 1.00 0.00 C ATOM 1535 O THR A 101 -10.515 -0.400 7.893 1.00 0.00 O ATOM 1536 CB THR A 101 -9.302 -3.401 8.011 1.00 0.00 C ATOM 1537 OG1 THR A 101 -9.488 -4.698 8.541 1.00 0.00 O ATOM 1538 CG2 THR A 101 -8.504 -2.594 9.039 1.00 0.00 C ATOM 0 H THR A 101 -10.934 -4.438 6.501 1.00 0.00 H new ATOM 0 HA THR A 101 -11.192 -2.667 8.675 1.00 0.00 H new ATOM 0 HB THR A 101 -8.752 -3.426 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.649 -5.330 7.810 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.543 -3.077 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.339 -1.585 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.061 -2.545 9.975 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.489 -1.181 5.811 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.482 0.167 5.251 1.00 0.00 C ATOM 1548 C VAL A 102 -11.891 0.755 5.288 1.00 0.00 C ATOM 1549 O VAL A 102 -12.066 1.900 5.695 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.945 0.180 3.816 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.153 1.580 3.212 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.452 -0.160 3.782 1.00 0.00 C ATOM 0 H VAL A 102 -10.446 -1.935 5.126 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.817 0.778 5.861 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.486 -0.571 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.773 1.596 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.216 1.820 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.617 2.317 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.098 -0.143 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.898 0.574 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.295 -1.153 4.203 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.888 -0.009 4.838 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.268 0.435 4.726 1.00 0.00 C ATOM 1564 C GLU A 103 -14.740 1.094 6.022 1.00 0.00 C ATOM 1565 O GLU A 103 -15.312 2.179 5.982 1.00 0.00 O ATOM 1566 CB GLU A 103 -15.164 -0.739 4.314 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.916 -1.232 2.873 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.283 -0.233 1.773 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.157 0.620 2.029 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -14.696 -0.369 0.674 1.00 0.00 O ATOM 0 H GLU A 103 -12.750 -0.973 4.536 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.334 1.195 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.004 -1.567 5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.208 -0.440 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.862 -1.491 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.486 -2.148 2.716 1.00 0.00 H new ATOM 1577 N LYS A 104 -14.447 0.490 7.176 1.00 0.00 N ATOM 1578 CA LYS A 104 -14.824 1.072 8.468 1.00 0.00 C ATOM 1579 C LYS A 104 -14.322 2.524 8.632 1.00 0.00 C ATOM 1580 O LYS A 104 -14.934 3.296 9.367 1.00 0.00 O ATOM 1581 CB LYS A 104 -14.342 0.179 9.623 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.848 -0.130 9.564 1.00 0.00 C ATOM 1583 CD LYS A 104 -12.277 -0.637 10.892 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.945 -1.938 11.348 1.00 0.00 C ATOM 1585 NZ LYS A 104 -12.277 -2.488 12.540 1.00 0.00 N ATOM 0 H LYS A 104 -13.951 -0.399 7.243 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.913 1.118 8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -14.568 0.669 10.570 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -14.901 -0.757 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.670 -0.878 8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.310 0.770 9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.204 -0.799 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.411 0.126 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.996 -1.752 11.570 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.914 -2.669 10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.750 -3.369 12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.280 -2.686 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.329 -1.798 13.316 1.00 0.00 H new ATOM 1599 N TYR A 105 -13.219 2.898 7.971 1.00 0.00 N ATOM 1600 CA TYR A 105 -12.648 4.243 7.989 1.00 0.00 C ATOM 1601 C TYR A 105 -13.046 5.055 6.754 1.00 0.00 C ATOM 1602 O TYR A 105 -12.789 6.257 6.718 1.00 0.00 O ATOM 1603 CB TYR A 105 -11.110 4.160 7.998 1.00 0.00 C ATOM 1604 CG TYR A 105 -10.516 3.269 9.072 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -10.855 3.472 10.422 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.603 2.256 8.730 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -10.319 2.641 11.421 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -9.111 1.397 9.724 1.00 0.00 C ATOM 1609 CZ TYR A 105 -9.433 1.612 11.072 1.00 0.00 C ATOM 1610 OH TYR A 105 -8.804 0.890 12.041 1.00 0.00 O ATOM 0 H TYR A 105 -12.686 2.249 7.392 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.031 4.732 8.885 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.776 3.800 7.025 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.709 5.166 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.530 4.270 10.692 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.282 2.140 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.589 2.795 12.455 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.480 0.565 9.449 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.852 0.809 11.823 1.00 0.00 H new