USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 520 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 7 THR OG1 : rot -125:sc= 0.994 USER MOD Set 1.2: A 65 TYR OH : rot 164:sc= 2.36 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 176:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 51 GLN : amide:sc= 1.05 K(o=2.3,f=-4.9) USER MOD Set 3.1: A 34 TYR OH : rot 180:sc= 0.208 USER MOD Set 3.2: A 45 LYS NZ :NH3+ -148:sc= 2.19 (180deg=0.774) USER MOD Single : A 6 THR OG1 : rot 29:sc= 0.437 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc=-0.00903 X(o=-0.009,f=-0.14) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 1.14 K(o=1.1,f=-0.025) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0382) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0113 K(o=-0.011,f=-0.75) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.0055 (180deg=-0.609) USER MOD Single : A 39 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.018) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 104:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -130:sc= 0.283 (180deg=-1.58) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 6 11.152 -1.835 3.504 1.00 0.00 N ATOM 79 CA THR A 6 10.140 -2.717 4.035 1.00 0.00 C ATOM 80 C THR A 6 9.063 -2.839 2.969 1.00 0.00 C ATOM 81 O THR A 6 8.752 -1.866 2.269 1.00 0.00 O ATOM 82 CB THR A 6 9.636 -2.187 5.385 1.00 0.00 C ATOM 83 OG1 THR A 6 10.685 -1.604 6.131 1.00 0.00 O ATOM 84 CG2 THR A 6 9.072 -3.323 6.239 1.00 0.00 C ATOM 0 HA THR A 6 10.522 -3.715 4.251 1.00 0.00 H new ATOM 0 HB THR A 6 8.868 -1.448 5.158 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.356 -1.236 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.721 -2.923 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.241 -3.794 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.852 -4.063 6.422 1.00 0.00 H new ATOM 92 N THR A 7 8.561 -4.057 2.788 1.00 0.00 N ATOM 93 CA THR A 7 7.657 -4.381 1.709 1.00 0.00 C ATOM 94 C THR A 7 6.375 -3.554 1.776 1.00 0.00 C ATOM 95 O THR A 7 6.038 -2.881 2.757 1.00 0.00 O ATOM 96 CB THR A 7 7.400 -5.895 1.704 1.00 0.00 C ATOM 97 OG1 THR A 7 6.929 -6.369 0.469 1.00 0.00 O ATOM 98 CG2 THR A 7 6.410 -6.359 2.775 1.00 0.00 C ATOM 0 H THR A 7 8.777 -4.847 3.395 1.00 0.00 H new ATOM 0 HA THR A 7 8.117 -4.115 0.757 1.00 0.00 H new ATOM 0 HB THR A 7 8.384 -6.312 1.917 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.086 -6.850 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.281 -7.439 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.794 -6.100 3.762 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.449 -5.868 2.619 1.00 0.00 H new ATOM 106 N TYR A 8 5.625 -3.696 0.697 1.00 0.00 N ATOM 107 CA TYR A 8 4.447 -2.897 0.376 1.00 0.00 C ATOM 108 C TYR A 8 3.374 -2.931 1.458 1.00 0.00 C ATOM 109 O TYR A 8 2.681 -1.939 1.690 1.00 0.00 O ATOM 110 CB TYR A 8 3.918 -3.387 -0.972 1.00 0.00 C ATOM 111 CG TYR A 8 4.857 -3.045 -2.111 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.361 -1.735 -2.263 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.270 -4.052 -2.996 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.251 -1.429 -3.304 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.180 -3.764 -4.030 1.00 0.00 C ATOM 116 CZ TYR A 8 6.666 -2.445 -4.194 1.00 0.00 C ATOM 117 OH TYR A 8 7.453 -2.107 -5.251 1.00 0.00 O ATOM 0 H TYR A 8 5.826 -4.401 -0.012 1.00 0.00 H new ATOM 0 HA TYR A 8 4.733 -1.847 0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.774 -4.467 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.941 -2.941 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.059 -0.962 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.887 -5.055 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.618 -0.420 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.507 -4.548 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 8 7.660 -2.909 -5.775 1.00 0.00 H new ATOM 127 N TYR A 9 3.279 -4.050 2.167 1.00 0.00 N ATOM 128 CA TYR A 9 2.412 -4.184 3.315 1.00 0.00 C ATOM 129 C TYR A 9 2.755 -3.197 4.430 1.00 0.00 C ATOM 130 O TYR A 9 1.859 -2.537 4.948 1.00 0.00 O ATOM 131 CB TYR A 9 2.507 -5.624 3.801 1.00 0.00 C ATOM 132 CG TYR A 9 1.975 -6.642 2.811 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.665 -6.534 2.307 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.786 -7.709 2.392 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.116 -7.568 1.536 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.261 -8.716 1.574 1.00 0.00 C ATOM 137 CZ TYR A 9 0.908 -8.681 1.179 1.00 0.00 C ATOM 138 OH TYR A 9 0.381 -9.706 0.457 1.00 0.00 O ATOM 0 H TYR A 9 3.810 -4.894 1.953 1.00 0.00 H new ATOM 0 HA TYR A 9 1.390 -3.945 3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.549 -5.855 4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.956 -5.719 4.737 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.080 -5.650 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.820 -7.753 2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.914 -7.513 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.896 -9.525 1.243 1.00 0.00 H new ATOM 0 HH TYR A 9 1.070 -10.385 0.302 1.00 0.00 H new ATOM 148 N ASP A 10 4.027 -3.062 4.803 1.00 0.00 N ATOM 149 CA ASP A 10 4.396 -2.176 5.905 1.00 0.00 C ATOM 150 C ASP A 10 4.136 -0.733 5.521 1.00 0.00 C ATOM 151 O ASP A 10 3.695 0.059 6.358 1.00 0.00 O ATOM 152 CB ASP A 10 5.872 -2.296 6.259 1.00 0.00 C ATOM 153 CG ASP A 10 6.107 -2.026 7.749 1.00 0.00 C ATOM 154 OD1 ASP A 10 6.114 -0.849 8.164 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.321 -2.988 8.522 1.00 0.00 O ATOM 0 H ASP A 10 4.810 -3.548 4.365 1.00 0.00 H new ATOM 0 HA ASP A 10 3.792 -2.472 6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.229 -3.294 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.450 -1.590 5.663 1.00 0.00 H new ATOM 160 N VAL A 11 4.362 -0.410 4.239 1.00 0.00 N ATOM 161 CA VAL A 11 4.007 0.882 3.692 1.00 0.00 C ATOM 162 C VAL A 11 2.523 1.133 3.954 1.00 0.00 C ATOM 163 O VAL A 11 2.163 2.167 4.514 1.00 0.00 O ATOM 164 CB VAL A 11 4.405 1.011 2.200 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.847 2.281 1.534 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.931 0.991 2.031 1.00 0.00 C ATOM 0 H VAL A 11 4.794 -1.042 3.566 1.00 0.00 H new ATOM 0 HA VAL A 11 4.576 1.665 4.193 1.00 0.00 H new ATOM 0 HB VAL A 11 3.962 0.148 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.161 2.313 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.758 2.270 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.226 3.161 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.181 1.083 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.369 1.824 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.328 0.052 2.417 1.00 0.00 H new ATOM 176 N LEU A 12 1.666 0.162 3.650 1.00 0.00 N ATOM 177 CA LEU A 12 0.223 0.239 3.843 1.00 0.00 C ATOM 178 C LEU A 12 -0.215 -0.001 5.299 1.00 0.00 C ATOM 179 O LEU A 12 -1.407 -0.173 5.560 1.00 0.00 O ATOM 180 CB LEU A 12 -0.464 -0.732 2.864 1.00 0.00 C ATOM 181 CG LEU A 12 -0.240 -0.348 1.386 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.579 -1.546 0.498 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.085 0.862 0.969 1.00 0.00 C ATOM 0 H LEU A 12 1.967 -0.727 3.250 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.092 1.260 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.086 -1.740 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.534 -0.753 3.071 1.00 0.00 H new ATOM 0 HG LEU A 12 0.807 -0.070 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.422 -1.280 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.065 -2.386 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.621 -1.827 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.894 1.095 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.142 0.631 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.820 1.721 1.586 1.00 0.00 H new ATOM 195 N GLY A 13 0.701 0.004 6.266 1.00 0.00 N ATOM 196 CA GLY A 13 0.350 -0.069 7.672 1.00 0.00 C ATOM 197 C GLY A 13 -0.107 -1.459 8.100 1.00 0.00 C ATOM 198 O GLY A 13 -0.700 -1.586 9.172 1.00 0.00 O ATOM 0 H GLY A 13 1.704 0.059 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.211 0.225 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.443 0.649 7.881 1.00 0.00 H new ATOM 202 N VAL A 14 0.135 -2.501 7.305 1.00 0.00 N ATOM 203 CA VAL A 14 -0.370 -3.848 7.536 1.00 0.00 C ATOM 204 C VAL A 14 0.802 -4.815 7.665 1.00 0.00 C ATOM 205 O VAL A 14 1.904 -4.562 7.185 1.00 0.00 O ATOM 206 CB VAL A 14 -1.385 -4.245 6.442 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.630 -3.364 6.546 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.833 -4.147 5.012 1.00 0.00 C ATOM 0 H VAL A 14 0.703 -2.426 6.461 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.920 -3.888 8.476 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.621 -5.294 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.343 -3.648 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.088 -3.495 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.349 -2.319 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.606 -4.442 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.527 -3.120 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.027 -4.809 4.908 1.00 0.00 H new ATOM 218 N LYS A 15 0.574 -5.946 8.332 1.00 0.00 N ATOM 219 CA LYS A 15 1.603 -6.952 8.495 1.00 0.00 C ATOM 220 C LYS A 15 1.948 -7.527 7.115 1.00 0.00 C ATOM 221 O LYS A 15 1.048 -7.669 6.285 1.00 0.00 O ATOM 222 CB LYS A 15 1.193 -8.005 9.546 1.00 0.00 C ATOM 223 CG LYS A 15 0.199 -9.084 9.105 1.00 0.00 C ATOM 224 CD LYS A 15 -1.243 -8.657 8.847 1.00 0.00 C ATOM 225 CE LYS A 15 -2.060 -8.493 10.137 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.362 -7.080 10.449 1.00 0.00 N ATOM 0 H LYS A 15 -0.318 -6.181 8.766 1.00 0.00 H new ATOM 0 HA LYS A 15 2.516 -6.512 8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.097 -8.502 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.765 -7.481 10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.582 -9.540 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.187 -9.861 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.245 -7.714 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.727 -9.397 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.994 -9.047 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.510 -8.934 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.914 -7.029 11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.473 -6.553 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.911 -6.662 9.671 1.00 0.00 H new ATOM 240 N PRO A 16 3.172 -8.034 6.899 1.00 0.00 N ATOM 241 CA PRO A 16 3.575 -8.664 5.637 1.00 0.00 C ATOM 242 C PRO A 16 2.828 -9.971 5.311 1.00 0.00 C ATOM 243 O PRO A 16 3.060 -10.576 4.262 1.00 0.00 O ATOM 244 CB PRO A 16 5.099 -8.834 5.729 1.00 0.00 C ATOM 245 CG PRO A 16 5.374 -8.849 7.234 1.00 0.00 C ATOM 246 CD PRO A 16 4.308 -7.912 7.797 1.00 0.00 C ATOM 0 HA PRO A 16 3.298 -8.033 4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.428 -9.758 5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.623 -8.016 5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.286 -9.853 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.380 -8.497 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.036 -8.193 8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.669 -6.884 7.836 1.00 0.00 H new ATOM 254 N ASN A 17 1.979 -10.427 6.231 1.00 0.00 N ATOM 255 CA ASN A 17 1.250 -11.679 6.193 1.00 0.00 C ATOM 256 C ASN A 17 -0.248 -11.439 5.950 1.00 0.00 C ATOM 257 O ASN A 17 -1.082 -12.253 6.348 1.00 0.00 O ATOM 258 CB ASN A 17 1.518 -12.405 7.517 1.00 0.00 C ATOM 259 CG ASN A 17 1.362 -13.897 7.333 1.00 0.00 C ATOM 260 OD1 ASN A 17 2.060 -14.485 6.511 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.511 -14.559 8.090 1.00 0.00 N ATOM 0 H ASN A 17 1.774 -9.892 7.075 1.00 0.00 H new ATOM 0 HA ASN A 17 1.587 -12.300 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.525 -12.177 7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.826 -12.051 8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.426 -15.571 7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.063 -14.059 8.769 1.00 0.00 H new ATOM 268 N ALA A 18 -0.590 -10.279 5.376 1.00 0.00 N ATOM 269 CA ALA A 18 -1.958 -9.841 5.115 1.00 0.00 C ATOM 270 C ALA A 18 -2.503 -10.418 3.798 1.00 0.00 C ATOM 271 O ALA A 18 -1.863 -11.223 3.108 1.00 0.00 O ATOM 272 CB ALA A 18 -1.991 -8.309 5.115 1.00 0.00 C ATOM 0 H ALA A 18 0.106 -9.599 5.071 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.610 -10.218 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.008 -7.967 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.662 -7.938 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.327 -7.931 4.338 1.00 0.00 H new ATOM 278 N THR A 19 -3.716 -9.988 3.462 1.00 0.00 N ATOM 279 CA THR A 19 -4.613 -10.557 2.470 1.00 0.00 C ATOM 280 C THR A 19 -5.147 -9.478 1.519 1.00 0.00 C ATOM 281 O THR A 19 -5.116 -8.288 1.836 1.00 0.00 O ATOM 282 CB THR A 19 -5.750 -11.269 3.236 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.006 -10.648 4.477 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.356 -12.717 3.503 1.00 0.00 C ATOM 0 H THR A 19 -4.125 -9.170 3.913 1.00 0.00 H new ATOM 0 HA THR A 19 -4.086 -11.273 1.839 1.00 0.00 H new ATOM 0 HB THR A 19 -6.647 -11.215 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.731 -11.121 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.159 -13.219 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.182 -13.227 2.556 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.445 -12.742 4.101 1.00 0.00 H new ATOM 292 N GLN A 20 -5.672 -9.888 0.356 1.00 0.00 N ATOM 293 CA GLN A 20 -6.320 -9.003 -0.620 1.00 0.00 C ATOM 294 C GLN A 20 -7.418 -8.186 0.065 1.00 0.00 C ATOM 295 O GLN A 20 -7.607 -7.000 -0.211 1.00 0.00 O ATOM 296 CB GLN A 20 -6.940 -9.835 -1.760 1.00 0.00 C ATOM 297 CG GLN A 20 -5.950 -10.699 -2.556 1.00 0.00 C ATOM 298 CD GLN A 20 -5.257 -9.898 -3.647 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.676 -9.906 -4.798 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.209 -9.173 -3.297 1.00 0.00 N ATOM 0 H GLN A 20 -5.657 -10.865 0.062 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.569 -8.329 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.706 -10.485 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.442 -9.157 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.203 -11.114 -1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.479 -11.541 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.881 -9.184 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.729 -8.602 -3.992 1.00 0.00 H new ATOM 309 N GLU A 21 -8.143 -8.835 0.971 1.00 0.00 N ATOM 310 CA GLU A 21 -9.263 -8.247 1.669 1.00 0.00 C ATOM 311 C GLU A 21 -8.838 -7.245 2.736 1.00 0.00 C ATOM 312 O GLU A 21 -9.594 -6.316 3.026 1.00 0.00 O ATOM 313 CB GLU A 21 -10.029 -9.353 2.372 1.00 0.00 C ATOM 314 CG GLU A 21 -10.583 -10.422 1.444 1.00 0.00 C ATOM 315 CD GLU A 21 -11.827 -11.021 2.091 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.737 -11.462 3.268 1.00 0.00 O ATOM 317 OE2 GLU A 21 -12.894 -10.944 1.448 1.00 0.00 O ATOM 0 H GLU A 21 -7.959 -9.802 1.240 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.864 -7.724 0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.371 -9.827 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.854 -8.909 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.830 -9.991 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.836 -11.196 1.268 1.00 0.00 H new ATOM 324 N GLU A 22 -7.672 -7.454 3.343 1.00 0.00 N ATOM 325 CA GLU A 22 -7.110 -6.553 4.335 1.00 0.00 C ATOM 326 C GLU A 22 -6.519 -5.332 3.624 1.00 0.00 C ATOM 327 O GLU A 22 -6.635 -4.217 4.129 1.00 0.00 O ATOM 328 CB GLU A 22 -6.064 -7.302 5.187 1.00 0.00 C ATOM 329 CG GLU A 22 -6.697 -8.202 6.255 1.00 0.00 C ATOM 330 CD GLU A 22 -7.237 -7.388 7.440 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.272 -6.700 7.308 1.00 0.00 O ATOM 332 OE2 GLU A 22 -6.598 -7.413 8.526 1.00 0.00 O ATOM 0 H GLU A 22 -7.086 -8.267 3.154 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.885 -6.200 5.016 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.437 -7.908 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.411 -6.576 5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.508 -8.778 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.957 -8.917 6.613 1.00 0.00 H new ATOM 339 N LEU A 23 -5.921 -5.528 2.443 1.00 0.00 N ATOM 340 CA LEU A 23 -5.267 -4.491 1.644 1.00 0.00 C ATOM 341 C LEU A 23 -6.271 -3.395 1.309 1.00 0.00 C ATOM 342 O LEU A 23 -6.068 -2.230 1.651 1.00 0.00 O ATOM 343 CB LEU A 23 -4.692 -5.106 0.356 1.00 0.00 C ATOM 344 CG LEU A 23 -3.295 -5.733 0.522 1.00 0.00 C ATOM 345 CD1 LEU A 23 -3.111 -6.811 -0.542 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.209 -4.659 0.407 1.00 0.00 C ATOM 0 H LEU A 23 -5.879 -6.448 2.004 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.448 -4.056 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.380 -5.870 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.642 -4.333 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.208 -6.184 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.125 -7.263 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.877 -7.577 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.200 -6.364 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.228 -5.119 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.270 -4.183 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.355 -3.909 1.184 1.00 0.00 H new ATOM 358 N LYS A 24 -7.379 -3.763 0.660 1.00 0.00 N ATOM 359 CA LYS A 24 -8.440 -2.824 0.295 1.00 0.00 C ATOM 360 C LYS A 24 -8.977 -2.087 1.518 1.00 0.00 C ATOM 361 O LYS A 24 -9.066 -0.856 1.490 1.00 0.00 O ATOM 362 CB LYS A 24 -9.529 -3.524 -0.539 1.00 0.00 C ATOM 363 CG LYS A 24 -10.109 -4.827 0.045 1.00 0.00 C ATOM 364 CD LYS A 24 -11.530 -4.685 0.603 1.00 0.00 C ATOM 365 CE LYS A 24 -12.544 -4.599 -0.542 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.926 -4.691 -0.041 1.00 0.00 N ATOM 0 H LYS A 24 -7.565 -4.724 0.373 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.019 -2.051 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.349 -2.822 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.116 -3.745 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.110 -5.592 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.452 -5.180 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.764 -5.537 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.596 -3.792 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.411 -3.659 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.359 -5.402 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.590 -4.630 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.058 -5.598 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.108 -3.910 0.621 1.00 0.00 H new ATOM 380 N LYS A 25 -9.318 -2.825 2.580 1.00 0.00 N ATOM 381 CA LYS A 25 -9.763 -2.264 3.861 1.00 0.00 C ATOM 382 C LYS A 25 -8.775 -1.204 4.360 1.00 0.00 C ATOM 383 O LYS A 25 -9.201 -0.108 4.733 1.00 0.00 O ATOM 384 CB LYS A 25 -9.965 -3.373 4.902 1.00 0.00 C ATOM 385 CG LYS A 25 -11.274 -4.148 4.678 1.00 0.00 C ATOM 386 CD LYS A 25 -12.449 -3.621 5.515 1.00 0.00 C ATOM 387 CE LYS A 25 -13.801 -4.282 5.195 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.863 -5.725 5.522 1.00 0.00 N ATOM 0 H LYS A 25 -9.292 -3.845 2.574 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.726 -1.777 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.124 -4.065 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.970 -2.935 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.540 -4.099 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.110 -5.199 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.225 -3.773 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.538 -2.546 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.586 -3.762 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.015 -4.152 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.803 -6.096 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.138 -6.235 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.692 -5.858 6.539 1.00 0.00 H new ATOM 402 N ALA A 26 -7.477 -1.525 4.381 1.00 0.00 N ATOM 403 CA ALA A 26 -6.414 -0.651 4.865 1.00 0.00 C ATOM 404 C ALA A 26 -6.321 0.607 4.012 1.00 0.00 C ATOM 405 O ALA A 26 -6.460 1.705 4.550 1.00 0.00 O ATOM 406 CB ALA A 26 -5.083 -1.403 4.900 1.00 0.00 C ATOM 0 H ALA A 26 -7.132 -2.426 4.051 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.651 -0.341 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.299 -0.738 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.168 -2.262 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.832 -1.745 3.896 1.00 0.00 H new ATOM 412 N TYR A 27 -6.136 0.451 2.695 1.00 0.00 N ATOM 413 CA TYR A 27 -5.989 1.537 1.733 1.00 0.00 C ATOM 414 C TYR A 27 -7.039 2.617 1.972 1.00 0.00 C ATOM 415 O TYR A 27 -6.713 3.804 2.026 1.00 0.00 O ATOM 416 CB TYR A 27 -6.105 0.994 0.300 1.00 0.00 C ATOM 417 CG TYR A 27 -6.147 2.108 -0.729 1.00 0.00 C ATOM 418 CD1 TYR A 27 -7.376 2.677 -1.120 1.00 0.00 C ATOM 419 CD2 TYR A 27 -4.943 2.647 -1.209 1.00 0.00 C ATOM 420 CE1 TYR A 27 -7.404 3.766 -2.012 1.00 0.00 C ATOM 421 CE2 TYR A 27 -4.956 3.761 -2.067 1.00 0.00 C ATOM 422 CZ TYR A 27 -6.188 4.312 -2.486 1.00 0.00 C ATOM 423 OH TYR A 27 -6.187 5.386 -3.322 1.00 0.00 O ATOM 0 H TYR A 27 -6.084 -0.470 2.260 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.003 1.982 1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.259 0.339 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.006 0.387 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.301 2.275 -0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.002 2.204 -0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.348 4.182 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.026 4.195 -2.405 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.972 5.943 -3.140 1.00 0.00 H new ATOM 433 N ARG A 28 -8.295 2.202 2.151 1.00 0.00 N ATOM 434 CA ARG A 28 -9.432 3.073 2.369 1.00 0.00 C ATOM 435 C ARG A 28 -9.133 4.129 3.427 1.00 0.00 C ATOM 436 O ARG A 28 -9.196 5.321 3.124 1.00 0.00 O ATOM 437 CB ARG A 28 -10.636 2.180 2.710 1.00 0.00 C ATOM 438 CG ARG A 28 -11.907 2.610 1.989 1.00 0.00 C ATOM 439 CD ARG A 28 -12.681 3.685 2.750 1.00 0.00 C ATOM 440 NE ARG A 28 -13.935 4.019 2.058 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.836 4.910 2.486 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.675 5.545 3.645 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.907 5.177 1.750 1.00 0.00 N ATOM 0 H ARG A 28 -8.548 1.214 2.146 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.664 3.647 1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.405 1.148 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.808 2.203 3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.649 2.986 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.549 1.741 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.900 3.335 3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.066 4.580 2.849 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.133 3.533 1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.855 5.355 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.372 6.222 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.044 4.703 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.594 5.857 2.077 1.00 0.00 H new ATOM 457 N LYS A 29 -8.792 3.721 4.655 1.00 0.00 N ATOM 458 CA LYS A 29 -8.542 4.699 5.710 1.00 0.00 C ATOM 459 C LYS A 29 -7.229 5.454 5.507 1.00 0.00 C ATOM 460 O LYS A 29 -7.108 6.543 6.052 1.00 0.00 O ATOM 461 CB LYS A 29 -8.665 4.089 7.120 1.00 0.00 C ATOM 462 CG LYS A 29 -7.691 2.969 7.559 1.00 0.00 C ATOM 463 CD LYS A 29 -8.394 1.609 7.785 1.00 0.00 C ATOM 464 CE LYS A 29 -7.832 0.806 8.970 1.00 0.00 C ATOM 465 NZ LYS A 29 -6.665 -0.048 8.657 1.00 0.00 N ATOM 0 H LYS A 29 -8.686 2.746 4.935 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.334 5.444 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.568 4.904 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.677 3.697 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.918 2.850 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.191 3.270 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.457 1.784 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.305 1.010 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.550 1.503 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.626 0.176 9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.307 -0.482 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.950 -0.795 7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.916 0.531 8.227 1.00 0.00 H new ATOM 479 N LEU A 30 -6.267 4.936 4.737 1.00 0.00 N ATOM 480 CA LEU A 30 -5.008 5.633 4.483 1.00 0.00 C ATOM 481 C LEU A 30 -5.176 6.772 3.489 1.00 0.00 C ATOM 482 O LEU A 30 -4.642 7.851 3.718 1.00 0.00 O ATOM 483 CB LEU A 30 -3.932 4.688 3.970 1.00 0.00 C ATOM 484 CG LEU A 30 -3.479 3.632 4.983 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.473 2.737 4.266 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.828 4.256 6.227 1.00 0.00 C ATOM 0 H LEU A 30 -6.340 4.029 4.277 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.697 6.044 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.305 4.182 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.066 5.275 3.664 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.345 3.072 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.120 1.965 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.951 2.268 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.628 3.337 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.525 3.466 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.953 4.833 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.544 4.912 6.722 1.00 0.00 H new ATOM 498 N ALA A 31 -5.923 6.579 2.402 1.00 0.00 N ATOM 499 CA ALA A 31 -6.214 7.671 1.482 1.00 0.00 C ATOM 500 C ALA A 31 -6.986 8.759 2.226 1.00 0.00 C ATOM 501 O ALA A 31 -6.595 9.918 2.213 1.00 0.00 O ATOM 502 CB ALA A 31 -7.016 7.130 0.295 1.00 0.00 C ATOM 0 H ALA A 31 -6.334 5.683 2.141 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.290 8.106 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.236 7.943 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.434 6.365 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.949 6.696 0.654 1.00 0.00 H new ATOM 508 N LEU A 32 -8.041 8.382 2.951 1.00 0.00 N ATOM 509 CA LEU A 32 -8.810 9.273 3.814 1.00 0.00 C ATOM 510 C LEU A 32 -8.053 9.696 5.090 1.00 0.00 C ATOM 511 O LEU A 32 -8.649 10.302 5.985 1.00 0.00 O ATOM 512 CB LEU A 32 -10.164 8.623 4.142 1.00 0.00 C ATOM 513 CG LEU A 32 -11.182 8.717 2.988 1.00 0.00 C ATOM 514 CD1 LEU A 32 -10.965 7.709 1.856 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.588 8.477 3.539 1.00 0.00 C ATOM 0 H LEU A 32 -8.391 7.424 2.952 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.977 10.200 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.004 7.574 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.584 9.101 5.027 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.048 9.714 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.728 7.851 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.979 7.861 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.033 6.696 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.313 8.542 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.637 7.486 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.817 9.231 4.292 1.00 0.00 H new ATOM 527 N LYS A 33 -6.766 9.378 5.216 1.00 0.00 N ATOM 528 CA LYS A 33 -5.857 9.983 6.177 1.00 0.00 C ATOM 529 C LYS A 33 -5.097 11.056 5.409 1.00 0.00 C ATOM 530 O LYS A 33 -5.375 12.240 5.555 1.00 0.00 O ATOM 531 CB LYS A 33 -4.942 8.903 6.802 1.00 0.00 C ATOM 532 CG LYS A 33 -3.921 9.433 7.819 1.00 0.00 C ATOM 533 CD LYS A 33 -4.573 10.010 9.081 1.00 0.00 C ATOM 534 CE LYS A 33 -5.347 8.930 9.842 1.00 0.00 C ATOM 535 NZ LYS A 33 -6.197 9.536 10.876 1.00 0.00 N ATOM 0 H LYS A 33 -6.318 8.671 4.633 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.374 10.437 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.567 8.156 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.405 8.394 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.247 8.625 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.313 10.204 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.807 10.437 9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.248 10.821 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.962 8.358 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.649 8.230 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.714 8.789 11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.604 10.062 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.876 10.186 10.430 1.00 0.00 H new ATOM 549 N TYR A 34 -4.195 10.628 4.534 1.00 0.00 N ATOM 550 CA TYR A 34 -3.230 11.442 3.813 1.00 0.00 C ATOM 551 C TYR A 34 -3.842 12.169 2.609 1.00 0.00 C ATOM 552 O TYR A 34 -3.152 12.397 1.614 1.00 0.00 O ATOM 553 CB TYR A 34 -2.076 10.517 3.403 1.00 0.00 C ATOM 554 CG TYR A 34 -1.438 9.775 4.566 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.825 10.486 5.616 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.442 8.368 4.593 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.131 9.796 6.622 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.730 7.676 5.579 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.047 8.386 6.593 1.00 0.00 C ATOM 560 OH TYR A 34 0.767 7.754 7.485 1.00 0.00 O ATOM 0 H TYR A 34 -4.115 9.640 4.295 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.869 12.242 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.446 9.790 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.311 11.108 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.889 11.564 5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.998 7.819 3.848 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.341 10.346 7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.702 6.596 5.565 1.00 0.00 H new ATOM 0 HH TYR A 34 0.718 6.786 7.343 1.00 0.00 H new ATOM 570 N HIS A 35 -5.133 12.510 2.650 1.00 0.00 N ATOM 571 CA HIS A 35 -5.759 13.179 1.523 1.00 0.00 C ATOM 572 C HIS A 35 -5.155 14.586 1.443 1.00 0.00 C ATOM 573 O HIS A 35 -5.047 15.246 2.480 1.00 0.00 O ATOM 574 CB HIS A 35 -7.282 13.240 1.748 1.00 0.00 C ATOM 575 CG HIS A 35 -8.089 12.952 0.508 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.697 13.866 -0.321 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.332 11.707 -0.005 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.264 13.182 -1.328 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.110 11.857 -1.155 1.00 0.00 N ATOM 0 H HIS A 35 -5.751 12.334 3.442 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.583 12.646 0.589 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.555 12.524 2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.546 14.230 2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.983 10.772 0.407 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.775 13.635 -2.165 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.485 11.113 -1.744 1.00 0.00 H new ATOM 587 N PRO A 36 -4.915 15.139 0.246 1.00 0.00 N ATOM 588 CA PRO A 36 -4.303 16.459 0.120 1.00 0.00 C ATOM 589 C PRO A 36 -5.283 17.562 0.533 1.00 0.00 C ATOM 590 O PRO A 36 -4.867 18.615 1.011 1.00 0.00 O ATOM 591 CB PRO A 36 -3.883 16.564 -1.346 1.00 0.00 C ATOM 592 CG PRO A 36 -4.867 15.638 -2.062 1.00 0.00 C ATOM 593 CD PRO A 36 -5.092 14.514 -1.055 1.00 0.00 C ATOM 0 HA PRO A 36 -3.445 16.585 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.955 17.588 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.851 16.245 -1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.797 16.151 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.456 15.262 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.090 14.087 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.381 13.702 -1.204 1.00 0.00 H new ATOM 601 N ASP A 37 -6.582 17.281 0.409 1.00 0.00 N ATOM 602 CA ASP A 37 -7.710 18.114 0.815 1.00 0.00 C ATOM 603 C ASP A 37 -7.561 18.615 2.250 1.00 0.00 C ATOM 604 O ASP A 37 -7.679 19.814 2.508 1.00 0.00 O ATOM 605 CB ASP A 37 -8.984 17.277 0.639 1.00 0.00 C ATOM 606 CG ASP A 37 -10.258 17.972 1.122 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.703 18.946 0.497 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.903 17.418 2.046 1.00 0.00 O ATOM 0 H ASP A 37 -6.892 16.403 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.755 19.009 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.098 17.025 -0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.867 16.338 1.181 1.00 0.00 H new ATOM 613 N LYS A 38 -7.259 17.712 3.188 1.00 0.00 N ATOM 614 CA LYS A 38 -7.250 17.990 4.630 1.00 0.00 C ATOM 615 C LYS A 38 -5.908 17.654 5.275 1.00 0.00 C ATOM 616 O LYS A 38 -5.768 17.782 6.496 1.00 0.00 O ATOM 617 CB LYS A 38 -8.419 17.235 5.287 1.00 0.00 C ATOM 618 CG LYS A 38 -9.789 17.830 4.910 1.00 0.00 C ATOM 619 CD LYS A 38 -10.483 18.650 6.005 1.00 0.00 C ATOM 620 CE LYS A 38 -11.041 17.752 7.112 1.00 0.00 C ATOM 621 NZ LYS A 38 -10.159 17.641 8.291 1.00 0.00 N ATOM 0 H LYS A 38 -7.009 16.749 2.963 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.385 19.060 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.386 16.188 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.301 17.260 6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.660 18.465 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.451 17.014 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.775 19.359 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.292 19.233 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.009 18.141 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.216 16.756 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.731 17.436 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.475 16.872 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.649 18.537 8.429 1.00 0.00 H new ATOM 635 N ASN A 39 -4.917 17.216 4.496 1.00 0.00 N ATOM 636 CA ASN A 39 -3.550 17.027 4.962 1.00 0.00 C ATOM 637 C ASN A 39 -2.552 17.208 3.807 1.00 0.00 C ATOM 638 O ASN A 39 -1.832 16.265 3.460 1.00 0.00 O ATOM 639 CB ASN A 39 -3.395 15.662 5.653 1.00 0.00 C ATOM 640 CG ASN A 39 -2.216 15.697 6.613 1.00 0.00 C ATOM 641 OD1 ASN A 39 -2.379 15.557 7.822 1.00 0.00 O ATOM 642 ND2 ASN A 39 -1.014 15.941 6.140 1.00 0.00 N ATOM 0 H ASN A 39 -5.047 16.981 3.512 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.325 17.792 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.308 15.413 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.244 14.882 4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.220 16.013 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.875 16.058 5.136 1.00 0.00 H new ATOM 649 N PRO A 40 -2.415 18.421 3.247 1.00 0.00 N ATOM 650 CA PRO A 40 -1.482 18.679 2.153 1.00 0.00 C ATOM 651 C PRO A 40 -0.035 18.416 2.582 1.00 0.00 C ATOM 652 O PRO A 40 0.773 18.011 1.757 1.00 0.00 O ATOM 653 CB PRO A 40 -1.716 20.130 1.731 1.00 0.00 C ATOM 654 CG PRO A 40 -2.346 20.782 2.957 1.00 0.00 C ATOM 655 CD PRO A 40 -3.080 19.640 3.665 1.00 0.00 C ATOM 0 HA PRO A 40 -1.653 18.008 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.782 20.620 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.375 20.191 0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.589 21.228 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.033 21.580 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.035 19.758 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.135 19.624 3.390 1.00 0.00 H new ATOM 663 N ASN A 41 0.258 18.515 3.884 1.00 0.00 N ATOM 664 CA ASN A 41 1.543 18.180 4.501 1.00 0.00 C ATOM 665 C ASN A 41 2.014 16.744 4.241 1.00 0.00 C ATOM 666 O ASN A 41 3.146 16.402 4.572 1.00 0.00 O ATOM 667 CB ASN A 41 1.432 18.380 6.023 1.00 0.00 C ATOM 668 CG ASN A 41 2.539 19.281 6.535 1.00 0.00 C ATOM 669 OD1 ASN A 41 3.603 18.799 6.919 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.302 20.579 6.564 1.00 0.00 N ATOM 0 H ASN A 41 -0.426 18.846 4.565 1.00 0.00 H new ATOM 0 HA ASN A 41 2.279 18.842 4.045 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.463 18.815 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.483 17.414 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.014 21.220 6.914 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.406 20.941 6.237 1.00 0.00 H new ATOM 677 N GLU A 42 1.137 15.869 3.747 1.00 0.00 N ATOM 678 CA GLU A 42 1.348 14.447 3.494 1.00 0.00 C ATOM 679 C GLU A 42 0.852 14.099 2.077 1.00 0.00 C ATOM 680 O GLU A 42 0.711 12.921 1.757 1.00 0.00 O ATOM 681 CB GLU A 42 0.679 13.602 4.602 1.00 0.00 C ATOM 682 CG GLU A 42 1.225 13.831 6.035 1.00 0.00 C ATOM 683 CD GLU A 42 2.440 12.971 6.403 1.00 0.00 C ATOM 684 OE1 GLU A 42 3.488 13.033 5.713 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.377 12.193 7.381 1.00 0.00 O ATOM 0 H GLU A 42 0.192 16.159 3.496 1.00 0.00 H new ATOM 0 HA GLU A 42 2.411 14.209 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.390 13.814 4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.796 12.548 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.495 14.882 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.426 13.632 6.750 1.00 0.00 H new ATOM 692 N GLY A 43 0.594 15.097 1.218 1.00 0.00 N ATOM 693 CA GLY A 43 -0.038 14.908 -0.082 1.00 0.00 C ATOM 694 C GLY A 43 0.816 14.097 -1.061 1.00 0.00 C ATOM 695 O GLY A 43 0.263 13.401 -1.919 1.00 0.00 O ATOM 0 H GLY A 43 0.825 16.070 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.995 14.405 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.251 15.883 -0.519 1.00 0.00 H new ATOM 699 N GLU A 44 2.145 14.116 -0.935 1.00 0.00 N ATOM 700 CA GLU A 44 3.010 13.245 -1.728 1.00 0.00 C ATOM 701 C GLU A 44 3.068 11.840 -1.142 1.00 0.00 C ATOM 702 O GLU A 44 3.363 10.901 -1.879 1.00 0.00 O ATOM 703 CB GLU A 44 4.445 13.774 -1.838 1.00 0.00 C ATOM 704 CG GLU A 44 4.533 15.093 -2.604 1.00 0.00 C ATOM 705 CD GLU A 44 5.986 15.372 -2.984 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.730 15.940 -2.144 1.00 0.00 O ATOM 707 OE2 GLU A 44 6.395 14.941 -4.085 1.00 0.00 O ATOM 0 H GLU A 44 2.645 14.727 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 44 2.566 13.223 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.854 13.912 -0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.065 13.028 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.915 15.046 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.144 15.907 -1.992 1.00 0.00 H new ATOM 714 N LYS A 45 2.751 11.653 0.146 1.00 0.00 N ATOM 715 CA LYS A 45 2.742 10.315 0.736 1.00 0.00 C ATOM 716 C LYS A 45 1.803 9.402 -0.030 1.00 0.00 C ATOM 717 O LYS A 45 2.105 8.217 -0.177 1.00 0.00 O ATOM 718 CB LYS A 45 2.302 10.350 2.203 1.00 0.00 C ATOM 719 CG LYS A 45 2.770 9.052 2.867 1.00 0.00 C ATOM 720 CD LYS A 45 2.377 8.966 4.333 1.00 0.00 C ATOM 721 CE LYS A 45 3.140 9.970 5.194 1.00 0.00 C ATOM 722 NZ LYS A 45 3.058 9.659 6.635 1.00 0.00 N ATOM 0 H LYS A 45 2.501 12.404 0.790 1.00 0.00 H new ATOM 0 HA LYS A 45 3.762 9.934 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.732 11.214 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.219 10.446 2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.347 8.202 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.854 8.975 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.306 9.145 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.567 7.957 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.186 9.985 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.743 10.970 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.080 10.543 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.171 9.152 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.865 9.063 6.908 1.00 0.00 H new ATOM 736 N PHE A 46 0.705 9.968 -0.539 1.00 0.00 N ATOM 737 CA PHE A 46 -0.258 9.279 -1.374 1.00 0.00 C ATOM 738 C PHE A 46 0.433 8.486 -2.489 1.00 0.00 C ATOM 739 O PHE A 46 0.041 7.352 -2.749 1.00 0.00 O ATOM 740 CB PHE A 46 -1.255 10.293 -1.940 1.00 0.00 C ATOM 741 CG PHE A 46 -2.702 9.849 -1.892 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.093 8.618 -2.455 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.681 10.710 -1.362 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.453 8.273 -2.526 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.043 10.367 -1.440 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.430 9.158 -2.040 1.00 0.00 C ATOM 0 H PHE A 46 0.463 10.945 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.800 8.554 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.157 11.227 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.988 10.506 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.345 7.937 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.386 11.637 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.748 7.327 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.791 11.034 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.477 8.909 -2.128 1.00 0.00 H new ATOM 756 N LYS A 47 1.493 9.042 -3.087 1.00 0.00 N ATOM 757 CA LYS A 47 2.245 8.435 -4.174 1.00 0.00 C ATOM 758 C LYS A 47 2.963 7.151 -3.746 1.00 0.00 C ATOM 759 O LYS A 47 3.268 6.319 -4.594 1.00 0.00 O ATOM 760 CB LYS A 47 3.229 9.491 -4.715 1.00 0.00 C ATOM 761 CG LYS A 47 3.340 9.598 -6.243 1.00 0.00 C ATOM 762 CD LYS A 47 4.731 9.282 -6.799 1.00 0.00 C ATOM 763 CE LYS A 47 4.877 7.779 -7.025 1.00 0.00 C ATOM 764 NZ LYS A 47 6.283 7.355 -7.079 1.00 0.00 N ATOM 0 H LYS A 47 1.857 9.955 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 47 1.557 8.127 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.934 10.465 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.219 9.273 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.618 8.919 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.062 10.607 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.886 9.815 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.496 9.629 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.369 7.243 -6.223 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.381 7.504 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.330 6.320 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.746 7.793 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.769 7.652 -6.209 1.00 0.00 H new ATOM 778 N GLN A 48 3.280 6.949 -2.465 1.00 0.00 N ATOM 779 CA GLN A 48 3.738 5.654 -1.976 1.00 0.00 C ATOM 780 C GLN A 48 2.562 4.695 -1.753 1.00 0.00 C ATOM 781 O GLN A 48 2.731 3.488 -1.915 1.00 0.00 O ATOM 782 CB GLN A 48 4.522 5.812 -0.667 1.00 0.00 C ATOM 783 CG GLN A 48 6.005 6.132 -0.872 1.00 0.00 C ATOM 784 CD GLN A 48 6.841 5.471 0.216 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.044 4.257 0.205 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.330 6.218 1.179 1.00 0.00 N ATOM 0 H GLN A 48 3.226 7.672 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 48 4.393 5.233 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.067 6.606 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.435 4.892 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.328 5.782 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.158 7.211 -0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.158 7.223 1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.882 5.793 1.924 1.00 0.00 H new ATOM 795 N ILE A 49 1.380 5.203 -1.391 1.00 0.00 N ATOM 796 CA ILE A 49 0.210 4.380 -1.091 1.00 0.00 C ATOM 797 C ILE A 49 -0.226 3.708 -2.388 1.00 0.00 C ATOM 798 O ILE A 49 -0.425 2.496 -2.394 1.00 0.00 O ATOM 799 CB ILE A 49 -0.969 5.173 -0.465 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.520 6.166 0.622 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.997 4.206 0.151 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.658 6.980 1.243 1.00 0.00 C ATOM 0 H ILE A 49 1.210 6.204 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 49 0.493 3.647 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.413 5.745 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.010 5.615 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.209 6.853 0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.818 4.776 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.385 3.545 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.517 3.611 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.253 7.654 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.155 7.562 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.377 6.305 1.707 1.00 0.00 H new ATOM 814 N SER A 50 -0.360 4.469 -3.478 1.00 0.00 N ATOM 815 CA SER A 50 -0.698 3.943 -4.790 1.00 0.00 C ATOM 816 C SER A 50 0.338 2.897 -5.199 1.00 0.00 C ATOM 817 O SER A 50 -0.023 1.756 -5.476 1.00 0.00 O ATOM 818 CB SER A 50 -0.801 5.096 -5.797 1.00 0.00 C ATOM 819 OG SER A 50 0.272 6.010 -5.653 1.00 0.00 O ATOM 0 H SER A 50 -0.234 5.481 -3.466 1.00 0.00 H new ATOM 0 HA SER A 50 -1.669 3.449 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.805 4.695 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.747 5.619 -5.657 1.00 0.00 H new ATOM 0 HG SER A 50 0.178 6.731 -6.310 1.00 0.00 H new ATOM 825 N GLN A 51 1.623 3.262 -5.185 1.00 0.00 N ATOM 826 CA GLN A 51 2.736 2.427 -5.622 1.00 0.00 C ATOM 827 C GLN A 51 2.815 1.098 -4.862 1.00 0.00 C ATOM 828 O GLN A 51 3.313 0.112 -5.406 1.00 0.00 O ATOM 829 CB GLN A 51 4.030 3.242 -5.430 1.00 0.00 C ATOM 830 CG GLN A 51 5.263 2.711 -6.177 1.00 0.00 C ATOM 831 CD GLN A 51 5.568 3.567 -7.400 1.00 0.00 C ATOM 832 OE1 GLN A 51 6.190 4.619 -7.270 1.00 0.00 O ATOM 833 NE2 GLN A 51 5.075 3.194 -8.569 1.00 0.00 N ATOM 0 H GLN A 51 1.923 4.180 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 51 2.590 2.160 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.845 4.267 -5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.260 3.280 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.124 2.705 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.091 1.679 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.563 2.316 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.207 3.785 -9.390 1.00 0.00 H new ATOM 842 N ALA A 52 2.363 1.054 -3.607 1.00 0.00 N ATOM 843 CA ALA A 52 2.291 -0.171 -2.832 1.00 0.00 C ATOM 844 C ALA A 52 1.004 -0.921 -3.130 1.00 0.00 C ATOM 845 O ALA A 52 1.060 -2.090 -3.500 1.00 0.00 O ATOM 846 CB ALA A 52 2.407 0.164 -1.337 1.00 0.00 C ATOM 0 H ALA A 52 2.036 1.878 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 52 3.119 -0.823 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.353 -0.755 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.360 0.659 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.591 0.826 -1.048 1.00 0.00 H new ATOM 852 N TYR A 53 -0.150 -0.274 -2.972 1.00 0.00 N ATOM 853 CA TYR A 53 -1.447 -0.914 -3.139 1.00 0.00 C ATOM 854 C TYR A 53 -1.588 -1.524 -4.533 1.00 0.00 C ATOM 855 O TYR A 53 -2.264 -2.539 -4.696 1.00 0.00 O ATOM 856 CB TYR A 53 -2.544 0.121 -2.863 1.00 0.00 C ATOM 857 CG TYR A 53 -3.949 -0.429 -2.946 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.405 -1.346 -1.982 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.795 -0.042 -4.000 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.712 -1.855 -2.064 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.102 -0.546 -4.087 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.565 -1.451 -3.112 1.00 0.00 C ATOM 863 OH TYR A 53 -7.854 -1.884 -3.135 1.00 0.00 O ATOM 0 H TYR A 53 -0.208 0.714 -2.723 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.542 -1.736 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.389 0.542 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.443 0.939 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.752 -1.658 -1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.436 0.649 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.064 -2.557 -1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.749 -0.242 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.309 -1.515 -3.921 1.00 0.00 H new ATOM 873 N GLU A 54 -0.909 -0.946 -5.524 1.00 0.00 N ATOM 874 CA GLU A 54 -0.949 -1.376 -6.905 1.00 0.00 C ATOM 875 C GLU A 54 -0.433 -2.804 -7.051 1.00 0.00 C ATOM 876 O GLU A 54 -1.061 -3.626 -7.716 1.00 0.00 O ATOM 877 CB GLU A 54 -0.095 -0.398 -7.725 1.00 0.00 C ATOM 878 CG GLU A 54 -0.004 -0.768 -9.200 1.00 0.00 C ATOM 879 CD GLU A 54 -1.348 -0.866 -9.930 1.00 0.00 C ATOM 880 OE1 GLU A 54 -2.357 -0.282 -9.464 1.00 0.00 O ATOM 881 OE2 GLU A 54 -1.360 -1.513 -11.007 1.00 0.00 O ATOM 0 H GLU A 54 -0.300 -0.142 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.977 -1.374 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.514 0.604 -7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.910 -0.362 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.614 -0.027 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.510 -1.725 -9.287 1.00 0.00 H new ATOM 888 N VAL A 55 0.714 -3.099 -6.443 1.00 0.00 N ATOM 889 CA VAL A 55 1.439 -4.346 -6.660 1.00 0.00 C ATOM 890 C VAL A 55 0.581 -5.512 -6.217 1.00 0.00 C ATOM 891 O VAL A 55 0.540 -6.539 -6.890 1.00 0.00 O ATOM 892 CB VAL A 55 2.793 -4.359 -5.914 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.733 -5.395 -6.545 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.415 -2.974 -5.894 1.00 0.00 C ATOM 0 H VAL A 55 1.169 -2.472 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 55 1.656 -4.434 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 55 2.621 -4.648 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.684 -5.396 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.280 -6.384 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.904 -5.142 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.366 -3.010 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.582 -2.635 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.743 -2.281 -5.388 1.00 0.00 H new ATOM 904 N LEU A 56 -0.094 -5.348 -5.081 1.00 0.00 N ATOM 905 CA LEU A 56 -0.897 -6.411 -4.542 1.00 0.00 C ATOM 906 C LEU A 56 -2.283 -6.469 -5.184 1.00 0.00 C ATOM 907 O LEU A 56 -2.920 -7.514 -5.075 1.00 0.00 O ATOM 908 CB LEU A 56 -1.011 -6.226 -3.032 1.00 0.00 C ATOM 909 CG LEU A 56 0.305 -6.083 -2.239 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.393 -7.060 -2.670 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.823 -4.679 -1.984 1.00 0.00 C ATOM 0 H LEU A 56 -0.093 -4.490 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.410 -7.360 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.617 -5.339 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.559 -7.077 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.015 -6.386 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.287 -6.898 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.041 -8.082 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.631 -6.899 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.753 -4.731 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.006 -4.180 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.083 -4.116 -1.416 1.00 0.00 H new ATOM 923 N SER A 57 -2.777 -5.376 -5.778 1.00 0.00 N ATOM 924 CA SER A 57 -4.147 -5.316 -6.279 1.00 0.00 C ATOM 925 C SER A 57 -4.292 -6.009 -7.631 1.00 0.00 C ATOM 926 O SER A 57 -5.366 -6.562 -7.894 1.00 0.00 O ATOM 927 CB SER A 57 -4.619 -3.865 -6.362 1.00 0.00 C ATOM 928 OG SER A 57 -4.774 -3.356 -5.047 1.00 0.00 O ATOM 0 H SER A 57 -2.242 -4.520 -5.922 1.00 0.00 H new ATOM 0 HA SER A 57 -4.779 -5.854 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.897 -3.265 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.564 -3.806 -6.903 1.00 0.00 H new ATOM 0 HG SER A 57 -4.021 -2.766 -4.834 1.00 0.00 H new ATOM 934 N ASP A 58 -3.256 -6.012 -8.472 1.00 0.00 N ATOM 935 CA ASP A 58 -3.232 -6.884 -9.645 1.00 0.00 C ATOM 936 C ASP A 58 -2.850 -8.273 -9.166 1.00 0.00 C ATOM 937 O ASP A 58 -1.830 -8.422 -8.489 1.00 0.00 O ATOM 938 CB ASP A 58 -2.185 -6.434 -10.665 1.00 0.00 C ATOM 939 CG ASP A 58 -2.160 -7.314 -11.921 1.00 0.00 C ATOM 940 OD1 ASP A 58 -3.083 -8.128 -12.156 1.00 0.00 O ATOM 941 OD2 ASP A 58 -1.150 -7.238 -12.657 1.00 0.00 O ATOM 0 H ASP A 58 -2.429 -5.425 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.210 -6.858 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.386 -5.402 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.200 -6.448 -10.198 1.00 0.00 H new ATOM 946 N ALA A 59 -3.625 -9.287 -9.540 1.00 0.00 N ATOM 947 CA ALA A 59 -3.225 -10.664 -9.316 1.00 0.00 C ATOM 948 C ALA A 59 -1.870 -10.942 -9.973 1.00 0.00 C ATOM 949 O ALA A 59 -1.032 -11.583 -9.352 1.00 0.00 O ATOM 950 CB ALA A 59 -4.308 -11.617 -9.838 1.00 0.00 C ATOM 0 H ALA A 59 -4.530 -9.177 -9.998 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.113 -10.833 -8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.999 -12.648 -9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.244 -11.426 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.451 -11.455 -10.906 1.00 0.00 H new ATOM 956 N LYS A 60 -1.615 -10.458 -11.198 1.00 0.00 N ATOM 957 CA LYS A 60 -0.381 -10.763 -11.918 1.00 0.00 C ATOM 958 C LYS A 60 0.836 -10.078 -11.316 1.00 0.00 C ATOM 959 O LYS A 60 1.836 -10.749 -11.078 1.00 0.00 O ATOM 960 CB LYS A 60 -0.516 -10.443 -13.410 1.00 0.00 C ATOM 961 CG LYS A 60 -0.292 -11.709 -14.239 1.00 0.00 C ATOM 962 CD LYS A 60 -1.480 -12.682 -14.190 1.00 0.00 C ATOM 963 CE LYS A 60 -2.520 -12.323 -15.258 1.00 0.00 C ATOM 964 NZ LYS A 60 -3.746 -13.138 -15.128 1.00 0.00 N ATOM 0 H LYS A 60 -2.255 -9.850 -11.709 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.217 -11.835 -11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.506 -10.035 -13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.209 -9.680 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.103 -11.428 -15.275 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.602 -12.218 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.128 -13.702 -14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.940 -12.652 -13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.776 -11.267 -15.175 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.089 -12.470 -16.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.424 -12.865 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.506 -14.145 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.171 -12.978 -14.193 1.00 0.00 H new ATOM 978 N LYS A 61 0.781 -8.775 -11.020 1.00 0.00 N ATOM 979 CA LYS A 61 1.874 -8.143 -10.273 1.00 0.00 C ATOM 980 C LYS A 61 2.104 -8.911 -8.972 1.00 0.00 C ATOM 981 O LYS A 61 3.251 -9.255 -8.666 1.00 0.00 O ATOM 982 CB LYS A 61 1.635 -6.643 -10.014 1.00 0.00 C ATOM 983 CG LYS A 61 1.557 -5.809 -11.310 1.00 0.00 C ATOM 984 CD LYS A 61 2.604 -4.691 -11.382 1.00 0.00 C ATOM 985 CE LYS A 61 2.171 -3.382 -10.704 1.00 0.00 C ATOM 986 NZ LYS A 61 1.326 -2.535 -11.581 1.00 0.00 N ATOM 0 H LYS A 61 0.015 -8.152 -11.277 1.00 0.00 H new ATOM 0 HA LYS A 61 2.774 -8.191 -10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.708 -6.520 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.439 -6.256 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.684 -6.471 -12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.562 -5.370 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.526 -5.041 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.832 -4.488 -12.428 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.622 -3.615 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.057 -2.821 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.701 -1.565 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.332 -2.921 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.351 -2.525 -11.219 1.00 0.00 H new ATOM 1000 N ARG A 62 1.031 -9.254 -8.245 1.00 0.00 N ATOM 1001 CA ARG A 62 1.178 -10.046 -7.030 1.00 0.00 C ATOM 1002 C ARG A 62 1.804 -11.424 -7.286 1.00 0.00 C ATOM 1003 O ARG A 62 2.621 -11.837 -6.469 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.130 -10.102 -6.238 1.00 0.00 C ATOM 1005 CG ARG A 62 0.081 -10.724 -4.848 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.017 -10.286 -3.872 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.415 -11.355 -2.940 1.00 0.00 N ATOM 1008 CZ ARG A 62 -2.302 -12.323 -3.218 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.809 -12.442 -4.442 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -2.689 -13.156 -2.260 1.00 0.00 N ATOM 0 H ARG A 62 0.071 -8.998 -8.477 1.00 0.00 H new ATOM 0 HA ARG A 62 1.899 -9.531 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.535 -9.096 -6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.867 -10.685 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.086 -11.811 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.056 -10.429 -4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.667 -9.425 -3.302 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.890 -9.960 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.985 -11.360 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.524 -11.795 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.483 -13.180 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.312 -13.059 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.363 -13.893 -2.467 1.00 0.00 H new ATOM 1024 N GLU A 63 1.510 -12.115 -8.394 1.00 0.00 N ATOM 1025 CA GLU A 63 2.101 -13.416 -8.736 1.00 0.00 C ATOM 1026 C GLU A 63 3.632 -13.337 -8.783 1.00 0.00 C ATOM 1027 O GLU A 63 4.299 -14.326 -8.468 1.00 0.00 O ATOM 1028 CB GLU A 63 1.599 -13.968 -10.096 1.00 0.00 C ATOM 1029 CG GLU A 63 0.205 -14.623 -10.068 1.00 0.00 C ATOM 1030 CD GLU A 63 -0.320 -15.049 -11.459 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.429 -15.049 -12.463 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -1.518 -15.414 -11.537 1.00 0.00 O ATOM 0 H GLU A 63 0.844 -11.781 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 63 1.782 -14.096 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.584 -13.151 -10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.319 -14.701 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.240 -15.499 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.504 -13.925 -9.622 1.00 0.00 H new ATOM 1039 N LEU A 64 4.204 -12.201 -9.192 1.00 0.00 N ATOM 1040 CA LEU A 64 5.651 -12.043 -9.313 1.00 0.00 C ATOM 1041 C LEU A 64 6.256 -11.562 -8.005 1.00 0.00 C ATOM 1042 O LEU A 64 7.258 -12.122 -7.555 1.00 0.00 O ATOM 1043 CB LEU A 64 6.008 -11.092 -10.469 1.00 0.00 C ATOM 1044 CG LEU A 64 6.081 -11.776 -11.849 1.00 0.00 C ATOM 1045 CD1 LEU A 64 7.241 -12.777 -11.945 1.00 0.00 C ATOM 1046 CD2 LEU A 64 4.792 -12.507 -12.231 1.00 0.00 C ATOM 0 H LEU A 64 3.675 -11.367 -9.448 1.00 0.00 H new ATOM 0 HA LEU A 64 6.077 -13.020 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.267 -10.294 -10.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.969 -10.624 -10.256 1.00 0.00 H new ATOM 0 HG LEU A 64 6.242 -10.954 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.249 -13.231 -12.936 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.184 -12.258 -11.777 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.115 -13.554 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.911 -12.966 -13.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.580 -13.280 -11.493 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.966 -11.797 -12.260 1.00 0.00 H new ATOM 1058 N TYR A 65 5.632 -10.564 -7.377 1.00 0.00 N ATOM 1059 CA TYR A 65 5.913 -10.082 -6.026 1.00 0.00 C ATOM 1060 C TYR A 65 5.987 -11.216 -5.005 1.00 0.00 C ATOM 1061 O TYR A 65 6.787 -11.158 -4.073 1.00 0.00 O ATOM 1062 CB TYR A 65 4.824 -9.076 -5.661 1.00 0.00 C ATOM 1063 CG TYR A 65 4.768 -8.728 -4.195 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.647 -7.765 -3.676 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.872 -9.404 -3.344 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.616 -7.456 -2.307 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.822 -9.089 -1.976 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.698 -8.107 -1.454 1.00 0.00 C ATOM 1069 OH TYR A 65 4.651 -7.773 -0.139 1.00 0.00 O ATOM 0 H TYR A 65 4.877 -10.043 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 65 6.895 -9.609 -6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.983 -8.162 -6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.857 -9.478 -5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.346 -7.263 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.221 -10.167 -3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.296 -6.719 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.120 -9.592 -1.327 1.00 0.00 H new ATOM 0 HH TYR A 65 3.820 -8.112 0.255 1.00 0.00 H new ATOM 1079 N ASP A 66 5.199 -12.268 -5.215 1.00 0.00 N ATOM 1080 CA ASP A 66 5.152 -13.467 -4.391 1.00 0.00 C ATOM 1081 C ASP A 66 6.522 -14.104 -4.177 1.00 0.00 C ATOM 1082 O ASP A 66 6.746 -14.691 -3.115 1.00 0.00 O ATOM 1083 CB ASP A 66 4.268 -14.493 -5.089 1.00 0.00 C ATOM 1084 CG ASP A 66 3.875 -15.613 -4.140 1.00 0.00 C ATOM 1085 OD1 ASP A 66 4.625 -16.606 -4.020 1.00 0.00 O ATOM 1086 OD2 ASP A 66 2.739 -15.554 -3.611 1.00 0.00 O ATOM 0 H ASP A 66 4.548 -12.307 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 66 4.766 -13.172 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.372 -14.005 -5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.796 -14.908 -5.948 1.00 0.00 H new ATOM 1091 N LYS A 67 7.421 -14.000 -5.165 1.00 0.00 N ATOM 1092 CA LYS A 67 8.742 -14.629 -5.093 1.00 0.00 C ATOM 1093 C LYS A 67 9.885 -13.751 -5.615 1.00 0.00 C ATOM 1094 O LYS A 67 10.992 -14.261 -5.790 1.00 0.00 O ATOM 1095 CB LYS A 67 8.675 -16.019 -5.748 1.00 0.00 C ATOM 1096 CG LYS A 67 8.508 -15.959 -7.270 1.00 0.00 C ATOM 1097 CD LYS A 67 8.381 -17.364 -7.868 1.00 0.00 C ATOM 1098 CE LYS A 67 8.592 -17.252 -9.376 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.432 -18.538 -10.080 1.00 0.00 N ATOM 0 H LYS A 67 7.253 -13.482 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 67 8.999 -14.756 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.585 -16.571 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.842 -16.577 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.623 -15.373 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.363 -15.448 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.119 -18.034 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.399 -17.784 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.883 -16.531 -9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.591 -16.861 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.587 -18.398 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.125 -19.222 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.471 -18.902 -9.923 1.00 0.00 H new