USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (2 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 62 ASN : amide:sc= 0.222 K(o=0.74,f=-8.9!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 159:sc= 0.517 (180deg=1.02) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 151:sc= 2.45 (180deg=0.0661) USER MOD Set 2.2: A 33 TYR OH : rot 180:sc= 1.08 USER MOD Single : A 1 LYS N :NH3+ -162:sc= 1.16 (180deg=0.92) USER MOD Single : A 1 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.166) USER MOD Single : A 4 TYR OH : rot 48:sc= 0.33 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -11:sc= 0.611 USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0.973) USER MOD Single : A 22 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.52) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 32 GLN : amide:sc= 1.44 K(o=1.4,f=-0.78) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0837) USER MOD Single : A 40 TYR OH : rot -76:sc= 1.14 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A 50 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 66 SER OG : rot 180:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.195 -1.546 0.168 1.00 1.00 N ATOM 2 CA LYS A 1 -10.154 -0.541 0.300 1.00 1.00 C ATOM 3 C LYS A 1 -9.716 -0.081 -1.091 1.00 1.00 C ATOM 4 O LYS A 1 -9.699 -0.871 -2.034 1.00 1.00 O ATOM 5 CB LYS A 1 -9.006 -1.069 1.163 1.00 1.00 C ATOM 6 CG LYS A 1 -7.973 0.028 1.432 1.00 1.00 C ATOM 7 CD LYS A 1 -7.016 -0.383 2.552 1.00 1.00 C ATOM 8 CE LYS A 1 -5.819 0.566 2.627 1.00 1.00 C ATOM 9 NZ LYS A 1 -6.274 1.961 2.824 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.703 -1.640 1.070 1.00 1.00 H new ATOM 0 H2 LYS A 1 -11.862 -1.259 -0.577 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.766 -2.459 -0.084 1.00 1.00 H new ATOM 0 HA LYS A 1 -10.536 0.337 0.821 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.399 -1.443 2.108 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.527 -1.910 0.662 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -7.408 0.231 0.522 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -8.482 0.953 1.705 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -7.545 -0.383 3.505 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -6.667 -1.401 2.381 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -5.165 0.271 3.448 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -5.233 0.494 1.711 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -5.467 2.553 3.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -6.674 2.324 1.936 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -7.001 1.987 3.567 1.00 1.00 H new ATOM 25 N GLU A 2 -9.375 1.196 -1.177 1.00 1.00 N ATOM 26 CA GLU A 2 -8.875 1.756 -2.422 1.00 1.00 C ATOM 27 C GLU A 2 -7.692 2.686 -2.149 1.00 1.00 C ATOM 28 O GLU A 2 -7.549 3.207 -1.044 1.00 1.00 O ATOM 29 CB GLU A 2 -9.986 2.488 -3.178 1.00 1.00 C ATOM 30 CG GLU A 2 -11.318 1.745 -3.053 1.00 1.00 C ATOM 31 CD GLU A 2 -12.421 2.462 -3.832 1.00 1.00 C ATOM 32 OE1 GLU A 2 -12.135 2.865 -4.980 1.00 1.00 O ATOM 33 OE2 GLU A 2 -13.526 2.592 -3.262 1.00 1.00 O ATOM 0 H GLU A 2 -9.435 1.860 -0.405 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.529 0.938 -3.053 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.092 3.499 -2.786 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.715 2.581 -4.230 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.207 0.727 -3.427 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.600 1.670 -2.003 1.00 1.00 H new ATOM 40 N GLY A 3 -6.873 2.866 -3.175 1.00 1.00 N ATOM 41 CA GLY A 3 -6.049 4.059 -3.274 1.00 1.00 C ATOM 42 C GLY A 3 -4.941 3.875 -4.312 1.00 1.00 C ATOM 43 O GLY A 3 -4.965 2.923 -5.090 1.00 1.00 O ATOM 0 H GLY A 3 -6.762 2.206 -3.945 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.670 4.912 -3.547 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.609 4.283 -2.302 1.00 1.00 H new ATOM 47 N TYR A 4 -3.993 4.801 -4.291 1.00 1.00 N ATOM 48 CA TYR A 4 -2.798 4.669 -5.108 1.00 1.00 C ATOM 49 C TYR A 4 -1.846 3.625 -4.521 1.00 1.00 C ATOM 50 O TYR A 4 -1.028 3.942 -3.659 1.00 1.00 O ATOM 51 CB TYR A 4 -2.116 6.038 -5.079 1.00 1.00 C ATOM 52 CG TYR A 4 -2.867 7.124 -5.852 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.934 7.070 -7.229 1.00 1.00 C ATOM 54 CD2 TYR A 4 -3.477 8.158 -5.170 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.642 8.093 -7.956 1.00 1.00 C ATOM 56 CE2 TYR A 4 -4.185 9.180 -5.898 1.00 1.00 C ATOM 57 CZ TYR A 4 -4.232 9.097 -7.254 1.00 1.00 C ATOM 58 OH TYR A 4 -4.900 10.062 -7.941 1.00 1.00 O ATOM 0 H TYR A 4 -4.028 5.646 -3.721 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.056 4.351 -6.118 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -2.005 6.355 -4.042 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -1.112 5.941 -5.492 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.456 6.261 -7.762 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -3.423 8.201 -4.092 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.703 8.063 -9.034 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -4.668 9.994 -5.378 1.00 1.00 H new ATOM 0 HH TYR A 4 -5.496 9.644 -8.597 1.00 1.00 H new ATOM 68 N LEU A 5 -1.984 2.402 -5.012 1.00 1.00 N ATOM 69 CA LEU A 5 -1.393 1.257 -4.344 1.00 1.00 C ATOM 70 C LEU A 5 0.088 1.534 -4.078 1.00 1.00 C ATOM 71 O LEU A 5 0.730 2.267 -4.829 1.00 1.00 O ATOM 72 CB LEU A 5 -1.645 -0.021 -5.147 1.00 1.00 C ATOM 73 CG LEU A 5 -0.632 -0.328 -6.253 1.00 1.00 C ATOM 74 CD1 LEU A 5 0.329 -1.438 -5.823 1.00 1.00 C ATOM 75 CD2 LEU A 5 -1.341 -0.661 -7.567 1.00 1.00 C ATOM 0 H LEU A 5 -2.497 2.180 -5.865 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.866 1.096 -3.375 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.665 -0.863 -4.455 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.636 0.045 -5.597 1.00 1.00 H new ATOM 0 HG LEU A 5 -0.034 0.566 -6.427 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.038 -1.637 -6.627 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.870 -1.125 -4.930 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.236 -2.344 -5.605 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.599 -0.875 -8.337 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.979 -1.533 -7.425 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -1.951 0.188 -7.877 1.00 1.00 H new ATOM 87 N VAL A 6 0.587 0.936 -3.006 1.00 1.00 N ATOM 88 CA VAL A 6 2.020 0.897 -2.770 1.00 1.00 C ATOM 89 C VAL A 6 2.500 -0.557 -2.812 1.00 1.00 C ATOM 90 O VAL A 6 1.738 -1.474 -2.512 1.00 1.00 O ATOM 91 CB VAL A 6 2.353 1.599 -1.452 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.124 0.666 -0.262 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.787 2.133 -1.463 1.00 1.00 C ATOM 0 H VAL A 6 0.024 0.475 -2.291 1.00 1.00 H new ATOM 0 HA VAL A 6 2.551 1.438 -3.553 1.00 1.00 H new ATOM 0 HB VAL A 6 1.680 2.450 -1.345 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.368 1.189 0.663 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.079 0.356 -0.239 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.761 -0.213 -0.361 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.998 2.627 -0.515 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.482 1.305 -1.604 1.00 1.00 H new ATOM 0 HG23 VAL A 6 3.903 2.847 -2.278 1.00 1.00 H new ATOM 103 N ASP A 7 3.760 -0.719 -3.186 1.00 1.00 N ATOM 104 CA ASP A 7 4.307 -2.045 -3.418 1.00 1.00 C ATOM 105 C ASP A 7 4.833 -2.614 -2.099 1.00 1.00 C ATOM 106 O ASP A 7 5.213 -1.862 -1.203 1.00 1.00 O ATOM 107 CB ASP A 7 5.471 -1.995 -4.409 1.00 1.00 C ATOM 108 CG ASP A 7 6.003 -3.360 -4.851 1.00 1.00 C ATOM 109 OD1 ASP A 7 5.300 -4.011 -5.653 1.00 1.00 O ATOM 110 OD2 ASP A 7 7.102 -3.721 -4.377 1.00 1.00 O ATOM 0 H ASP A 7 4.418 0.046 -3.334 1.00 1.00 H new ATOM 0 HA ASP A 7 3.513 -2.670 -3.826 1.00 1.00 H new ATOM 0 HB2 ASP A 7 5.152 -1.442 -5.293 1.00 1.00 H new ATOM 0 HB3 ASP A 7 6.288 -1.432 -3.958 1.00 1.00 H new ATOM 115 N LYS A 8 4.837 -3.936 -2.021 1.00 1.00 N ATOM 116 CA LYS A 8 5.087 -4.611 -0.758 1.00 1.00 C ATOM 117 C LYS A 8 6.550 -5.056 -0.705 1.00 1.00 C ATOM 118 O LYS A 8 7.008 -5.573 0.313 1.00 1.00 O ATOM 119 CB LYS A 8 4.089 -5.752 -0.554 1.00 1.00 C ATOM 120 CG LYS A 8 2.988 -5.348 0.428 1.00 1.00 C ATOM 121 CD LYS A 8 1.853 -6.375 0.433 1.00 1.00 C ATOM 122 CE LYS A 8 0.897 -6.129 1.602 1.00 1.00 C ATOM 123 NZ LYS A 8 0.281 -4.788 1.495 1.00 1.00 N ATOM 0 H LYS A 8 4.671 -4.559 -2.812 1.00 1.00 H new ATOM 0 HA LYS A 8 4.930 -3.929 0.077 1.00 1.00 H new ATOM 0 HB2 LYS A 8 3.645 -6.027 -1.511 1.00 1.00 H new ATOM 0 HB3 LYS A 8 4.610 -6.633 -0.179 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.406 -5.257 1.431 1.00 1.00 H new ATOM 0 HG3 LYS A 8 2.595 -4.368 0.157 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.305 -6.321 -0.508 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.268 -7.381 0.503 1.00 1.00 H new ATOM 0 HE2 LYS A 8 0.120 -6.893 1.611 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.437 -6.213 2.545 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.659 -4.801 1.939 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 0.882 -4.090 1.978 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 0.186 -4.528 0.492 1.00 1.00 H new ATOM 137 N ASN A 9 7.243 -4.840 -1.813 1.00 1.00 N ATOM 138 CA ASN A 9 8.617 -5.293 -1.938 1.00 1.00 C ATOM 139 C ASN A 9 9.547 -4.079 -1.983 1.00 1.00 C ATOM 140 O ASN A 9 10.287 -3.824 -1.034 1.00 1.00 O ATOM 141 CB ASN A 9 8.820 -6.092 -3.227 1.00 1.00 C ATOM 142 CG ASN A 9 8.936 -7.589 -2.931 1.00 1.00 C ATOM 143 OD1 ASN A 9 8.006 -8.358 -3.117 1.00 1.00 O ATOM 144 ND2 ASN A 9 10.123 -7.958 -2.462 1.00 1.00 N ATOM 0 H ASN A 9 6.878 -4.356 -2.633 1.00 1.00 H new ATOM 0 HA ASN A 9 8.841 -5.929 -1.081 1.00 1.00 H new ATOM 0 HB2 ASN A 9 7.984 -5.915 -3.904 1.00 1.00 H new ATOM 0 HB3 ASN A 9 9.721 -5.747 -3.735 1.00 1.00 H new ATOM 0 HD21 ASN A 9 10.300 -8.936 -2.234 1.00 1.00 H new ATOM 0 HD22 ASN A 9 10.858 -7.263 -2.330 1.00 1.00 H new ATOM 151 N THR A 10 9.480 -3.363 -3.096 1.00 1.00 N ATOM 152 CA THR A 10 10.374 -2.239 -3.318 1.00 1.00 C ATOM 153 C THR A 10 9.711 -0.935 -2.870 1.00 1.00 C ATOM 154 O THR A 10 10.347 0.119 -2.863 1.00 1.00 O ATOM 155 CB THR A 10 10.777 -2.240 -4.794 1.00 1.00 C ATOM 156 OG1 THR A 10 9.612 -2.704 -5.471 1.00 1.00 O ATOM 157 CG2 THR A 10 11.838 -3.296 -5.111 1.00 1.00 C ATOM 0 H THR A 10 8.820 -3.539 -3.854 1.00 1.00 H new ATOM 0 HA THR A 10 11.280 -2.329 -2.719 1.00 1.00 H new ATOM 0 HB THR A 10 11.153 -1.254 -5.068 1.00 1.00 H new ATOM 0 HG1 THR A 10 9.784 -2.734 -6.435 1.00 1.00 H new ATOM 0 HG21 THR A 10 12.088 -3.254 -6.171 1.00 1.00 H new ATOM 0 HG22 THR A 10 12.733 -3.102 -4.519 1.00 1.00 H new ATOM 0 HG23 THR A 10 11.450 -4.285 -4.869 1.00 1.00 H new ATOM 165 N GLY A 11 8.443 -1.047 -2.506 1.00 1.00 N ATOM 166 CA GLY A 11 7.678 0.117 -2.090 1.00 1.00 C ATOM 167 C GLY A 11 7.626 1.165 -3.203 1.00 1.00 C ATOM 168 O GLY A 11 7.451 2.352 -2.933 1.00 1.00 O ATOM 0 H GLY A 11 7.925 -1.926 -2.490 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.665 -0.185 -1.823 1.00 1.00 H new ATOM 0 HA3 GLY A 11 8.127 0.552 -1.197 1.00 1.00 H new ATOM 172 N CYS A 12 7.780 0.687 -4.429 1.00 1.00 N ATOM 173 CA CYS A 12 7.899 1.580 -5.569 1.00 1.00 C ATOM 174 C CYS A 12 6.752 1.279 -6.536 1.00 1.00 C ATOM 175 O CYS A 12 5.745 0.690 -6.146 1.00 1.00 O ATOM 176 CB CYS A 12 9.265 1.454 -6.247 1.00 1.00 C ATOM 177 SG CYS A 12 10.209 3.017 -6.369 1.00 1.00 S ATOM 0 H CYS A 12 7.825 -0.306 -4.658 1.00 1.00 H new ATOM 0 HA CYS A 12 7.828 2.614 -5.233 1.00 1.00 H new ATOM 0 HB2 CYS A 12 9.862 0.727 -5.696 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.121 1.054 -7.251 1.00 1.00 H new ATOM 182 N LYS A 13 6.943 1.696 -7.779 1.00 1.00 N ATOM 183 CA LYS A 13 5.926 1.500 -8.799 1.00 1.00 C ATOM 184 C LYS A 13 4.878 2.609 -8.687 1.00 1.00 C ATOM 185 O LYS A 13 5.219 3.773 -8.487 1.00 1.00 O ATOM 186 CB LYS A 13 5.342 0.089 -8.708 1.00 1.00 C ATOM 187 CG LYS A 13 6.452 -0.962 -8.646 1.00 1.00 C ATOM 188 CD LYS A 13 5.868 -2.374 -8.593 1.00 1.00 C ATOM 189 CE LYS A 13 6.933 -3.393 -8.181 1.00 1.00 C ATOM 190 NZ LYS A 13 7.928 -3.568 -9.261 1.00 1.00 N ATOM 0 H LYS A 13 7.787 2.169 -8.103 1.00 1.00 H new ATOM 0 HA LYS A 13 6.364 1.575 -9.794 1.00 1.00 H new ATOM 0 HB2 LYS A 13 4.711 0.009 -7.823 1.00 1.00 H new ATOM 0 HB3 LYS A 13 4.705 -0.101 -9.572 1.00 1.00 H new ATOM 0 HG2 LYS A 13 7.099 -0.865 -9.518 1.00 1.00 H new ATOM 0 HG3 LYS A 13 7.073 -0.788 -7.767 1.00 1.00 H new ATOM 0 HD2 LYS A 13 5.039 -2.402 -7.885 1.00 1.00 H new ATOM 0 HD3 LYS A 13 5.463 -2.641 -9.569 1.00 1.00 H new ATOM 0 HE2 LYS A 13 7.431 -3.060 -7.270 1.00 1.00 H new ATOM 0 HE3 LYS A 13 6.461 -4.349 -7.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 8.643 -4.263 -8.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 7.451 -3.907 -10.121 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 8.390 -2.658 -9.458 1.00 1.00 H new ATOM 204 N TYR A 14 3.622 2.207 -8.823 1.00 1.00 N ATOM 205 CA TYR A 14 2.562 3.155 -9.122 1.00 1.00 C ATOM 206 C TYR A 14 3.091 4.323 -9.957 1.00 1.00 C ATOM 207 O TYR A 14 3.077 5.468 -9.508 1.00 1.00 O ATOM 208 CB TYR A 14 2.079 3.687 -7.772 1.00 1.00 C ATOM 209 CG TYR A 14 3.189 3.846 -6.732 1.00 1.00 C ATOM 210 CD1 TYR A 14 3.567 2.768 -5.956 1.00 1.00 C ATOM 211 CD2 TYR A 14 3.812 5.066 -6.568 1.00 1.00 C ATOM 212 CE1 TYR A 14 4.612 2.918 -4.977 1.00 1.00 C ATOM 213 CE2 TYR A 14 4.858 5.216 -5.589 1.00 1.00 C ATOM 214 CZ TYR A 14 5.206 4.134 -4.841 1.00 1.00 C ATOM 215 OH TYR A 14 6.193 4.275 -3.917 1.00 1.00 O ATOM 0 H TYR A 14 3.315 1.239 -8.732 1.00 1.00 H new ATOM 0 HA TYR A 14 1.766 2.674 -9.691 1.00 1.00 H new ATOM 0 HB2 TYR A 14 1.598 4.653 -7.925 1.00 1.00 H new ATOM 0 HB3 TYR A 14 1.320 3.012 -7.378 1.00 1.00 H new ATOM 0 HD1 TYR A 14 3.079 1.813 -6.083 1.00 1.00 H new ATOM 0 HD2 TYR A 14 3.515 5.909 -7.174 1.00 1.00 H new ATOM 0 HE1 TYR A 14 4.918 2.083 -4.364 1.00 1.00 H new ATOM 0 HE2 TYR A 14 5.354 6.165 -5.452 1.00 1.00 H new ATOM 0 HH TYR A 14 6.215 3.484 -3.339 1.00 1.00 H new ATOM 225 N GLU A 15 3.543 3.993 -11.158 1.00 1.00 N ATOM 226 CA GLU A 15 3.932 5.014 -12.117 1.00 1.00 C ATOM 227 C GLU A 15 3.760 4.491 -13.545 1.00 1.00 C ATOM 228 O GLU A 15 4.728 4.406 -14.299 1.00 1.00 O ATOM 229 CB GLU A 15 5.368 5.479 -11.872 1.00 1.00 C ATOM 230 CG GLU A 15 5.631 6.826 -12.548 1.00 1.00 C ATOM 231 CD GLU A 15 7.097 7.238 -12.397 1.00 1.00 C ATOM 232 OE1 GLU A 15 7.478 7.569 -11.254 1.00 1.00 O ATOM 233 OE2 GLU A 15 7.802 7.213 -13.429 1.00 1.00 O ATOM 0 H GLU A 15 3.649 3.034 -11.489 1.00 1.00 H new ATOM 0 HA GLU A 15 3.280 5.877 -11.985 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.549 5.564 -10.800 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.066 4.734 -12.254 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.374 6.763 -13.605 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.988 7.589 -12.109 1.00 1.00 H new ATOM 240 N CYS A 16 2.521 4.155 -13.874 1.00 1.00 N ATOM 241 CA CYS A 16 2.222 3.578 -15.174 1.00 1.00 C ATOM 242 C CYS A 16 2.347 4.679 -16.229 1.00 1.00 C ATOM 243 O CYS A 16 2.059 5.843 -15.955 1.00 1.00 O ATOM 244 CB CYS A 16 0.840 2.921 -15.196 1.00 1.00 C ATOM 245 SG CYS A 16 -0.555 4.058 -14.869 1.00 1.00 S ATOM 0 H CYS A 16 1.713 4.271 -13.263 1.00 1.00 H new ATOM 0 HA CYS A 16 2.934 2.783 -15.394 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.690 2.455 -16.170 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.821 2.122 -14.454 1.00 1.00 H new ATOM 250 N LEU A 17 2.780 4.272 -17.413 1.00 1.00 N ATOM 251 CA LEU A 17 2.999 5.218 -18.495 1.00 1.00 C ATOM 252 C LEU A 17 1.651 5.770 -18.963 1.00 1.00 C ATOM 253 O LEU A 17 0.731 5.008 -19.255 1.00 1.00 O ATOM 254 CB LEU A 17 3.821 4.572 -19.612 1.00 1.00 C ATOM 255 CG LEU A 17 5.334 4.521 -19.389 1.00 1.00 C ATOM 256 CD1 LEU A 17 5.973 5.886 -19.654 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.664 3.996 -17.990 1.00 1.00 C ATOM 0 H LEU A 17 2.985 3.301 -17.647 1.00 1.00 H new ATOM 0 HA LEU A 17 3.588 6.067 -18.147 1.00 1.00 H new ATOM 0 HB2 LEU A 17 3.461 3.554 -19.758 1.00 1.00 H new ATOM 0 HB3 LEU A 17 3.628 5.114 -20.538 1.00 1.00 H new ATOM 0 HG LEU A 17 5.762 3.820 -20.106 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.048 5.823 -19.488 1.00 1.00 H new ATOM 0 HD12 LEU A 17 5.781 6.183 -20.685 1.00 1.00 H new ATOM 0 HD13 LEU A 17 5.545 6.626 -18.978 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.746 3.970 -17.857 1.00 1.00 H new ATOM 0 HD22 LEU A 17 5.222 4.653 -17.241 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.260 2.990 -17.874 1.00 1.00 H new ATOM 269 N LYS A 18 1.579 7.092 -19.023 1.00 1.00 N ATOM 270 CA LYS A 18 0.365 7.756 -19.466 1.00 1.00 C ATOM 271 C LYS A 18 -0.743 7.524 -18.438 1.00 1.00 C ATOM 272 O LYS A 18 -0.645 6.621 -17.607 1.00 1.00 O ATOM 273 CB LYS A 18 -0.005 7.305 -20.881 1.00 1.00 C ATOM 274 CG LYS A 18 1.171 7.496 -21.842 1.00 1.00 C ATOM 275 CD LYS A 18 0.743 7.240 -23.289 1.00 1.00 C ATOM 276 CE LYS A 18 0.383 5.768 -23.501 1.00 1.00 C ATOM 277 NZ LYS A 18 -1.085 5.601 -23.599 1.00 1.00 N ATOM 0 H LYS A 18 2.342 7.721 -18.772 1.00 1.00 H new ATOM 0 HA LYS A 18 0.521 8.833 -19.529 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -0.301 6.256 -20.867 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -0.865 7.874 -21.235 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.561 8.509 -21.748 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.980 6.817 -21.572 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.114 7.867 -23.535 1.00 1.00 H new ATOM 0 HD3 LYS A 18 1.549 7.522 -23.966 1.00 1.00 H new ATOM 0 HE2 LYS A 18 0.858 5.399 -24.410 1.00 1.00 H new ATOM 0 HE3 LYS A 18 0.768 5.171 -22.675 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.315 4.590 -23.675 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -1.537 5.996 -22.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -1.436 6.100 -24.442 1.00 1.00 H new ATOM 291 N LEU A 19 -1.773 8.353 -18.526 1.00 1.00 N ATOM 292 CA LEU A 19 -2.995 8.113 -17.778 1.00 1.00 C ATOM 293 C LEU A 19 -4.084 7.619 -18.733 1.00 1.00 C ATOM 294 O LEU A 19 -4.104 7.995 -19.904 1.00 1.00 O ATOM 295 CB LEU A 19 -3.392 9.359 -16.985 1.00 1.00 C ATOM 296 CG LEU A 19 -3.688 10.613 -17.810 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.034 11.224 -17.413 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.545 11.624 -17.701 1.00 1.00 C ATOM 0 H LEU A 19 -1.786 9.193 -19.105 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.840 7.329 -17.037 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.275 9.122 -16.392 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.590 9.590 -16.284 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.762 10.323 -18.858 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.221 12.114 -18.014 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.828 10.497 -17.584 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.013 11.497 -16.358 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -2.781 12.506 -18.297 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -2.415 11.915 -16.659 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -1.624 11.173 -18.070 1.00 1.00 H new ATOM 310 N GLY A 20 -4.962 6.784 -18.197 1.00 1.00 N ATOM 311 CA GLY A 20 -6.076 6.269 -18.974 1.00 1.00 C ATOM 312 C GLY A 20 -5.847 4.806 -19.358 1.00 1.00 C ATOM 313 O GLY A 20 -6.800 4.043 -19.507 1.00 1.00 O ATOM 0 H GLY A 20 -4.924 6.451 -17.234 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.997 6.358 -18.398 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.204 6.869 -19.875 1.00 1.00 H new ATOM 317 N ASP A 21 -4.578 4.458 -19.506 1.00 1.00 N ATOM 318 CA ASP A 21 -4.214 3.116 -19.930 1.00 1.00 C ATOM 319 C ASP A 21 -4.422 2.144 -18.767 1.00 1.00 C ATOM 320 O ASP A 21 -3.471 1.786 -18.074 1.00 1.00 O ATOM 321 CB ASP A 21 -2.742 3.049 -20.344 1.00 1.00 C ATOM 322 CG ASP A 21 -2.368 3.921 -21.544 1.00 1.00 C ATOM 323 OD1 ASP A 21 -2.526 5.156 -21.420 1.00 1.00 O ATOM 324 OD2 ASP A 21 -1.932 3.335 -22.558 1.00 1.00 O ATOM 0 H ASP A 21 -3.788 5.082 -19.340 1.00 1.00 H new ATOM 0 HA ASP A 21 -4.841 2.850 -20.781 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.127 3.344 -19.494 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -2.492 2.013 -20.574 1.00 1.00 H new ATOM 329 N ASN A 22 -5.673 1.745 -18.588 1.00 1.00 N ATOM 330 CA ASN A 22 -6.065 1.028 -17.387 1.00 1.00 C ATOM 331 C ASN A 22 -5.889 -0.474 -17.614 1.00 1.00 C ATOM 332 O ASN A 22 -6.713 -1.273 -17.171 1.00 1.00 O ATOM 333 CB ASN A 22 -7.535 1.286 -17.047 1.00 1.00 C ATOM 334 CG ASN A 22 -8.441 0.936 -18.229 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.662 1.727 -19.131 1.00 1.00 O ATOM 336 ND2 ASN A 22 -8.951 -0.291 -18.174 1.00 1.00 N ATOM 0 H ASN A 22 -6.428 1.905 -19.255 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.438 1.377 -16.566 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.820 0.693 -16.178 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.671 2.333 -16.778 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -9.568 -0.620 -18.916 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -8.725 -0.903 -17.390 1.00 1.00 H new ATOM 343 N ASP A 23 -4.810 -0.814 -18.303 1.00 1.00 N ATOM 344 CA ASP A 23 -4.427 -2.207 -18.455 1.00 1.00 C ATOM 345 C ASP A 23 -3.250 -2.512 -17.527 1.00 1.00 C ATOM 346 O ASP A 23 -3.272 -3.501 -16.796 1.00 1.00 O ATOM 347 CB ASP A 23 -3.986 -2.504 -19.890 1.00 1.00 C ATOM 348 CG ASP A 23 -3.577 -3.954 -20.154 1.00 1.00 C ATOM 349 OD1 ASP A 23 -4.334 -4.846 -19.716 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.515 -4.138 -20.788 1.00 1.00 O ATOM 0 H ASP A 23 -4.189 -0.148 -18.763 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.292 -2.823 -18.208 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.801 -2.243 -20.566 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.146 -1.855 -20.138 1.00 1.00 H new ATOM 355 N TYR A 24 -2.251 -1.644 -17.585 1.00 1.00 N ATOM 356 CA TYR A 24 -1.044 -1.838 -16.800 1.00 1.00 C ATOM 357 C TYR A 24 -1.350 -1.777 -15.302 1.00 1.00 C ATOM 358 O TYR A 24 -0.707 -2.460 -14.505 1.00 1.00 O ATOM 359 CB TYR A 24 -0.113 -0.680 -17.165 1.00 1.00 C ATOM 360 CG TYR A 24 0.181 -0.567 -18.662 1.00 1.00 C ATOM 361 CD1 TYR A 24 0.702 -1.646 -19.347 1.00 1.00 C ATOM 362 CD2 TYR A 24 -0.074 0.615 -19.328 1.00 1.00 C ATOM 363 CE1 TYR A 24 0.978 -1.540 -20.755 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.203 0.721 -20.737 1.00 1.00 C ATOM 365 CZ TYR A 24 0.715 -0.361 -21.382 1.00 1.00 C ATOM 366 OH TYR A 24 0.976 -0.260 -22.712 1.00 1.00 O ATOM 0 H TYR A 24 -2.253 -0.804 -18.164 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.602 -2.812 -17.010 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.559 0.253 -16.821 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.828 -0.801 -16.628 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.903 -2.570 -18.826 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.481 1.460 -18.792 1.00 1.00 H new ATOM 0 HE1 TYR A 24 1.385 -2.377 -21.302 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.008 1.640 -21.270 1.00 1.00 H new ATOM 0 HH TYR A 24 0.738 0.638 -23.025 1.00 1.00 H new ATOM 376 N CYS A 25 -2.330 -0.952 -14.963 1.00 1.00 N ATOM 377 CA CYS A 25 -2.774 -0.844 -13.583 1.00 1.00 C ATOM 378 C CYS A 25 -3.350 -2.196 -13.156 1.00 1.00 C ATOM 379 O CYS A 25 -2.896 -2.787 -12.178 1.00 1.00 O ATOM 380 CB CYS A 25 -3.785 0.290 -13.401 1.00 1.00 C ATOM 381 SG CYS A 25 -4.382 0.518 -11.687 1.00 1.00 S ATOM 0 H CYS A 25 -2.829 -0.352 -15.620 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.927 -0.593 -12.945 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.330 1.221 -13.739 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -4.642 0.101 -14.047 1.00 1.00 H new ATOM 386 N LEU A 26 -4.340 -2.647 -13.912 1.00 1.00 N ATOM 387 CA LEU A 26 -4.926 -3.954 -13.676 1.00 1.00 C ATOM 388 C LEU A 26 -3.810 -4.983 -13.493 1.00 1.00 C ATOM 389 O LEU A 26 -3.816 -5.747 -12.529 1.00 1.00 O ATOM 390 CB LEU A 26 -5.913 -4.309 -14.792 1.00 1.00 C ATOM 391 CG LEU A 26 -7.396 -4.229 -14.425 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.264 -4.106 -15.679 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.810 -5.417 -13.555 1.00 1.00 C ATOM 0 H LEU A 26 -4.751 -2.130 -14.689 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.510 -3.949 -12.755 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -5.731 -3.644 -15.636 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.697 -5.322 -15.132 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.554 -3.327 -13.834 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.314 -4.051 -15.391 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -7.989 -3.203 -16.224 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.108 -4.976 -16.316 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.869 -5.336 -13.308 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.634 -6.345 -14.099 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.222 -5.418 -12.637 1.00 1.00 H new ATOM 405 N ARG A 27 -2.877 -4.971 -14.435 1.00 1.00 N ATOM 406 CA ARG A 27 -1.815 -5.963 -14.449 1.00 1.00 C ATOM 407 C ARG A 27 -1.066 -5.959 -13.115 1.00 1.00 C ATOM 408 O ARG A 27 -0.908 -7.004 -12.485 1.00 1.00 O ATOM 409 CB ARG A 27 -0.823 -5.692 -15.582 1.00 1.00 C ATOM 410 CG ARG A 27 -1.354 -6.224 -16.915 1.00 1.00 C ATOM 411 CD ARG A 27 -0.367 -5.945 -18.050 1.00 1.00 C ATOM 412 NE ARG A 27 -1.086 -5.883 -19.342 1.00 1.00 N ATOM 413 CZ ARG A 27 -1.563 -6.956 -19.988 1.00 1.00 C ATOM 414 NH1 ARG A 27 -1.314 -8.186 -19.520 1.00 1.00 N ATOM 415 NH2 ARG A 27 -2.289 -6.798 -21.103 1.00 1.00 N ATOM 0 H ARG A 27 -2.835 -4.290 -15.193 1.00 1.00 H new ATOM 0 HA ARG A 27 -2.275 -6.938 -14.609 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -0.640 -4.620 -15.661 1.00 1.00 H new ATOM 0 HB3 ARG A 27 0.133 -6.163 -15.353 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -1.531 -7.297 -16.838 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -2.313 -5.758 -17.140 1.00 1.00 H new ATOM 0 HD2 ARG A 27 0.153 -5.004 -17.868 1.00 1.00 H new ATOM 0 HD3 ARG A 27 0.392 -6.727 -18.084 1.00 1.00 H new ATOM 0 HE ARG A 27 -1.227 -4.967 -19.767 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -0.761 -8.307 -18.671 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -1.677 -9.002 -20.012 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -2.478 -5.861 -21.460 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -2.652 -7.614 -21.595 1.00 1.00 H new ATOM 429 N GLU A 28 -0.628 -4.772 -12.723 1.00 1.00 N ATOM 430 CA GLU A 28 0.206 -4.635 -11.540 1.00 1.00 C ATOM 431 C GLU A 28 -0.564 -5.078 -10.294 1.00 1.00 C ATOM 432 O GLU A 28 -0.021 -5.780 -9.441 1.00 1.00 O ATOM 433 CB GLU A 28 0.713 -3.200 -11.389 1.00 1.00 C ATOM 434 CG GLU A 28 2.103 -3.174 -10.751 1.00 1.00 C ATOM 435 CD GLU A 28 2.316 -1.884 -9.956 1.00 1.00 C ATOM 436 OE1 GLU A 28 2.287 -0.811 -10.597 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.506 -2.000 -8.726 1.00 1.00 O ATOM 0 H GLU A 28 -0.835 -3.896 -13.203 1.00 1.00 H new ATOM 0 HA GLU A 28 1.076 -5.282 -11.656 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.748 -2.718 -12.366 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.017 -2.627 -10.776 1.00 1.00 H new ATOM 0 HG2 GLU A 28 2.221 -4.035 -10.093 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.865 -3.258 -11.526 1.00 1.00 H new ATOM 444 N CYS A 29 -1.816 -4.652 -10.228 1.00 1.00 N ATOM 445 CA CYS A 29 -2.681 -5.037 -9.126 1.00 1.00 C ATOM 446 C CYS A 29 -2.772 -6.564 -9.097 1.00 1.00 C ATOM 447 O CYS A 29 -2.851 -7.165 -8.027 1.00 1.00 O ATOM 448 CB CYS A 29 -4.061 -4.384 -9.235 1.00 1.00 C ATOM 449 SG CYS A 29 -4.700 -3.676 -7.674 1.00 1.00 S ATOM 0 H CYS A 29 -2.253 -4.043 -10.920 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.257 -4.682 -8.187 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.015 -3.594 -9.984 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -4.771 -5.127 -9.598 1.00 1.00 H new ATOM 454 N LYS A 30 -2.758 -7.148 -10.286 1.00 1.00 N ATOM 455 CA LYS A 30 -3.055 -8.563 -10.428 1.00 1.00 C ATOM 456 C LYS A 30 -1.916 -9.383 -9.820 1.00 1.00 C ATOM 457 O LYS A 30 -2.144 -10.467 -9.284 1.00 1.00 O ATOM 458 CB LYS A 30 -3.345 -8.905 -11.891 1.00 1.00 C ATOM 459 CG LYS A 30 -4.605 -9.765 -12.013 1.00 1.00 C ATOM 460 CD LYS A 30 -4.993 -9.963 -13.480 1.00 1.00 C ATOM 461 CE LYS A 30 -5.793 -8.767 -14.001 1.00 1.00 C ATOM 462 NZ LYS A 30 -6.130 -8.954 -15.431 1.00 1.00 N ATOM 0 H LYS A 30 -2.546 -6.667 -11.160 1.00 1.00 H new ATOM 0 HA LYS A 30 -3.961 -8.819 -9.878 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -3.470 -7.987 -12.465 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -2.495 -9.436 -12.320 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -4.435 -10.734 -11.544 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.427 -9.291 -11.476 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.095 -10.095 -14.083 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.583 -10.873 -13.584 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -6.707 -8.651 -13.418 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -5.215 -7.852 -13.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -6.673 -8.134 -15.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.254 -9.043 -15.985 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -6.700 -9.817 -15.543 1.00 1.00 H new ATOM 476 N GLN A 31 -0.715 -8.833 -9.921 1.00 1.00 N ATOM 477 CA GLN A 31 0.467 -9.524 -9.434 1.00 1.00 C ATOM 478 C GLN A 31 0.949 -8.894 -8.125 1.00 1.00 C ATOM 479 O GLN A 31 2.146 -8.682 -7.938 1.00 1.00 O ATOM 480 CB GLN A 31 1.578 -9.519 -10.486 1.00 1.00 C ATOM 481 CG GLN A 31 1.107 -10.178 -11.784 1.00 1.00 C ATOM 482 CD GLN A 31 2.230 -10.210 -12.821 1.00 1.00 C ATOM 483 OE1 GLN A 31 3.281 -9.613 -12.656 1.00 1.00 O ATOM 484 NE2 GLN A 31 1.952 -10.940 -13.898 1.00 1.00 N ATOM 0 H GLN A 31 -0.535 -7.917 -10.333 1.00 1.00 H new ATOM 0 HA GLN A 31 0.201 -10.563 -9.239 1.00 1.00 H new ATOM 0 HB2 GLN A 31 1.889 -8.494 -10.687 1.00 1.00 H new ATOM 0 HB3 GLN A 31 2.450 -10.047 -10.101 1.00 1.00 H new ATOM 0 HG2 GLN A 31 0.768 -11.193 -11.578 1.00 1.00 H new ATOM 0 HG3 GLN A 31 0.253 -9.632 -12.184 1.00 1.00 H new ATOM 0 HE21 GLN A 31 1.052 -11.415 -13.974 1.00 1.00 H new ATOM 0 HE22 GLN A 31 2.638 -11.025 -14.648 1.00 1.00 H new ATOM 493 N GLN A 32 -0.009 -8.610 -7.254 1.00 1.00 N ATOM 494 CA GLN A 32 0.290 -8.439 -5.842 1.00 1.00 C ATOM 495 C GLN A 32 -0.999 -8.464 -5.019 1.00 1.00 C ATOM 496 O GLN A 32 -1.026 -9.015 -3.921 1.00 1.00 O ATOM 497 CB GLN A 32 1.069 -7.144 -5.601 1.00 1.00 C ATOM 498 CG GLN A 32 0.287 -5.931 -6.109 1.00 1.00 C ATOM 499 CD GLN A 32 1.187 -4.696 -6.194 1.00 1.00 C ATOM 500 OE1 GLN A 32 1.593 -4.123 -5.196 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.473 -4.319 -7.436 1.00 1.00 N ATOM 0 H GLN A 32 -0.992 -8.494 -7.499 1.00 1.00 H new ATOM 0 HA GLN A 32 0.919 -9.269 -5.520 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.272 -7.030 -4.536 1.00 1.00 H new ATOM 0 HB3 GLN A 32 2.034 -7.197 -6.106 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.132 -6.149 -7.092 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.552 -5.729 -5.443 1.00 1.00 H new ATOM 0 HE21 GLN A 32 1.100 -4.844 -8.227 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.066 -3.505 -7.598 1.00 1.00 H new ATOM 510 N TYR A 33 -2.035 -7.862 -5.584 1.00 1.00 N ATOM 511 CA TYR A 33 -3.341 -7.864 -4.945 1.00 1.00 C ATOM 512 C TYR A 33 -4.395 -8.495 -5.857 1.00 1.00 C ATOM 513 O TYR A 33 -5.582 -8.195 -5.738 1.00 1.00 O ATOM 514 CB TYR A 33 -3.699 -6.395 -4.712 1.00 1.00 C ATOM 515 CG TYR A 33 -2.831 -5.703 -3.658 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.608 -6.312 -2.440 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.271 -4.471 -3.926 1.00 1.00 C ATOM 518 CE1 TYR A 33 -1.792 -5.661 -1.448 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.455 -3.820 -2.934 1.00 1.00 C ATOM 520 CZ TYR A 33 -1.256 -4.447 -1.745 1.00 1.00 C ATOM 521 OH TYR A 33 -0.484 -3.832 -0.808 1.00 1.00 O ATOM 0 H TYR A 33 -1.997 -7.370 -6.477 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.315 -8.439 -4.020 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.608 -5.855 -5.655 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.744 -6.330 -4.407 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.045 -7.277 -2.231 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.445 -3.995 -4.880 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.610 -6.126 -0.490 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.011 -2.855 -3.131 1.00 1.00 H new ATOM 0 HH TYR A 33 -0.167 -2.973 -1.158 1.00 1.00 H new ATOM 531 N GLY A 34 -3.924 -9.357 -6.745 1.00 1.00 N ATOM 532 CA GLY A 34 -4.820 -10.096 -7.619 1.00 1.00 C ATOM 533 C GLY A 34 -5.632 -11.125 -6.830 1.00 1.00 C ATOM 534 O GLY A 34 -5.313 -12.313 -6.841 1.00 1.00 O ATOM 0 H GLY A 34 -2.934 -9.561 -6.879 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -5.495 -9.404 -8.123 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -4.243 -10.600 -8.395 1.00 1.00 H new ATOM 538 N LYS A 35 -6.666 -10.632 -6.165 1.00 1.00 N ATOM 539 CA LYS A 35 -7.729 -11.497 -5.685 1.00 1.00 C ATOM 540 C LYS A 35 -8.976 -11.292 -6.548 1.00 1.00 C ATOM 541 O LYS A 35 -10.092 -11.555 -6.103 1.00 1.00 O ATOM 542 CB LYS A 35 -7.971 -11.272 -4.191 1.00 1.00 C ATOM 543 CG LYS A 35 -7.756 -12.565 -3.400 1.00 1.00 C ATOM 544 CD LYS A 35 -8.894 -13.556 -3.650 1.00 1.00 C ATOM 545 CE LYS A 35 -8.766 -14.778 -2.738 1.00 1.00 C ATOM 546 NZ LYS A 35 -7.553 -15.555 -3.078 1.00 1.00 N ATOM 0 H LYS A 35 -6.790 -9.643 -5.947 1.00 1.00 H new ATOM 0 HA LYS A 35 -7.441 -12.544 -5.783 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.297 -10.499 -3.822 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -8.987 -10.910 -4.034 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -6.806 -13.017 -3.686 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -7.694 -12.338 -2.336 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -9.852 -13.067 -3.476 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -8.883 -13.873 -4.693 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -8.720 -14.459 -1.697 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -9.649 -15.409 -2.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -7.552 -16.448 -2.545 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -7.546 -15.760 -4.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -6.707 -15.004 -2.830 1.00 1.00 H new ATOM 560 N GLY A 36 -8.744 -10.824 -7.765 1.00 1.00 N ATOM 561 CA GLY A 36 -9.831 -10.341 -8.601 1.00 1.00 C ATOM 562 C GLY A 36 -10.073 -8.847 -8.377 1.00 1.00 C ATOM 563 O GLY A 36 -11.172 -8.351 -8.617 1.00 1.00 O ATOM 0 H GLY A 36 -7.820 -10.769 -8.193 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.596 -10.522 -9.650 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.741 -10.898 -8.378 1.00 1.00 H new ATOM 567 N ALA A 37 -9.028 -8.174 -7.920 1.00 1.00 N ATOM 568 CA ALA A 37 -9.102 -6.739 -7.699 1.00 1.00 C ATOM 569 C ALA A 37 -9.004 -6.016 -9.043 1.00 1.00 C ATOM 570 O ALA A 37 -8.707 -6.632 -10.065 1.00 1.00 O ATOM 571 CB ALA A 37 -8.000 -6.315 -6.727 1.00 1.00 C ATOM 0 H ALA A 37 -8.126 -8.595 -7.697 1.00 1.00 H new ATOM 0 HA ALA A 37 -10.056 -6.468 -7.247 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -8.055 -5.239 -6.561 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -8.131 -6.836 -5.778 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.027 -6.568 -7.148 1.00 1.00 H new ATOM 577 N GLY A 38 -9.260 -4.716 -8.999 1.00 1.00 N ATOM 578 CA GLY A 38 -9.246 -3.909 -10.208 1.00 1.00 C ATOM 579 C GLY A 38 -8.577 -2.557 -9.956 1.00 1.00 C ATOM 580 O GLY A 38 -8.200 -2.246 -8.827 1.00 1.00 O ATOM 0 H GLY A 38 -9.478 -4.202 -8.145 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.715 -4.440 -10.998 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.267 -3.754 -10.558 1.00 1.00 H new ATOM 584 N GLY A 39 -8.450 -1.787 -11.027 1.00 1.00 N ATOM 585 CA GLY A 39 -7.786 -0.497 -10.947 1.00 1.00 C ATOM 586 C GLY A 39 -7.781 0.203 -12.309 1.00 1.00 C ATOM 587 O GLY A 39 -8.255 -0.354 -13.298 1.00 1.00 O ATOM 0 H GLY A 39 -8.796 -2.032 -11.955 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.291 0.131 -10.213 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.762 -0.632 -10.600 1.00 1.00 H new ATOM 591 N TYR A 40 -7.241 1.412 -12.314 1.00 1.00 N ATOM 592 CA TYR A 40 -6.997 2.116 -13.562 1.00 1.00 C ATOM 593 C TYR A 40 -5.847 3.115 -13.412 1.00 1.00 C ATOM 594 O TYR A 40 -5.392 3.380 -12.300 1.00 1.00 O ATOM 595 CB TYR A 40 -8.284 2.882 -13.872 1.00 1.00 C ATOM 596 CG TYR A 40 -8.995 3.433 -12.635 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.554 4.602 -12.048 1.00 1.00 C ATOM 598 CD2 TYR A 40 -10.078 2.761 -12.105 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.222 5.120 -10.883 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.746 3.279 -10.939 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.286 4.433 -10.387 1.00 1.00 C ATOM 602 OH TYR A 40 -10.918 4.923 -9.286 1.00 1.00 O ATOM 0 H TYR A 40 -6.965 1.922 -11.475 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.727 1.415 -14.352 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -8.050 3.709 -14.542 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.967 2.222 -14.407 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.707 5.128 -12.463 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.424 1.847 -12.565 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.886 6.033 -10.414 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.593 2.762 -10.513 1.00 1.00 H new ATOM 0 HH TYR A 40 -10.380 4.734 -8.489 1.00 1.00 H new ATOM 612 N CYS A 41 -5.410 3.640 -14.546 1.00 1.00 N ATOM 613 CA CYS A 41 -4.242 4.505 -14.570 1.00 1.00 C ATOM 614 C CYS A 41 -4.717 5.955 -14.455 1.00 1.00 C ATOM 615 O CYS A 41 -5.253 6.515 -15.410 1.00 1.00 O ATOM 616 CB CYS A 41 -3.397 4.280 -15.825 1.00 1.00 C ATOM 617 SG CYS A 41 -2.134 2.964 -15.673 1.00 1.00 S ATOM 0 H CYS A 41 -5.843 3.484 -15.456 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.593 4.267 -13.727 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.061 4.033 -16.654 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.899 5.214 -16.083 1.00 1.00 H new ATOM 622 N TYR A 42 -4.503 6.523 -13.277 1.00 1.00 N ATOM 623 CA TYR A 42 -4.650 7.957 -13.100 1.00 1.00 C ATOM 624 C TYR A 42 -3.384 8.696 -13.537 1.00 1.00 C ATOM 625 O TYR A 42 -2.557 8.143 -14.260 1.00 1.00 O ATOM 626 CB TYR A 42 -4.862 8.177 -11.601 1.00 1.00 C ATOM 627 CG TYR A 42 -6.186 8.861 -11.254 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.644 9.911 -12.023 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.924 8.426 -10.171 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.890 10.554 -11.695 1.00 1.00 C ATOM 631 CE2 TYR A 42 -8.171 9.068 -9.844 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.592 10.102 -10.623 1.00 1.00 C ATOM 633 OH TYR A 42 -9.769 10.709 -10.314 1.00 1.00 O ATOM 0 H TYR A 42 -4.229 6.015 -12.436 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.478 8.335 -13.700 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.818 7.214 -11.093 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -4.041 8.780 -11.213 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.068 10.251 -12.871 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -6.566 7.604 -9.569 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -8.259 11.378 -12.288 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -8.758 8.737 -9.000 1.00 1.00 H new ATOM 0 HH TYR A 42 -10.161 10.280 -9.525 1.00 1.00 H new ATOM 643 N ALA A 43 -3.272 9.935 -13.081 1.00 1.00 N ATOM 644 CA ALA A 43 -2.092 10.733 -13.364 1.00 1.00 C ATOM 645 C ALA A 43 -0.844 9.964 -12.926 1.00 1.00 C ATOM 646 O ALA A 43 -0.357 10.147 -11.811 1.00 1.00 O ATOM 647 CB ALA A 43 -2.214 12.090 -12.668 1.00 1.00 C ATOM 0 H ALA A 43 -3.980 10.406 -12.517 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.005 10.922 -14.434 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -1.328 12.689 -12.880 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.099 12.609 -13.035 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.301 11.940 -11.592 1.00 1.00 H new ATOM 653 N PHE A 44 -0.362 9.120 -13.826 1.00 1.00 N ATOM 654 CA PHE A 44 0.907 8.443 -13.614 1.00 1.00 C ATOM 655 C PHE A 44 0.948 7.775 -12.239 1.00 1.00 C ATOM 656 O PHE A 44 1.908 7.947 -11.489 1.00 1.00 O ATOM 657 CB PHE A 44 1.999 9.512 -13.682 1.00 1.00 C ATOM 658 CG PHE A 44 1.945 10.379 -14.941 1.00 1.00 C ATOM 659 CD1 PHE A 44 2.296 9.853 -16.144 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.546 11.677 -14.857 1.00 1.00 C ATOM 661 CE1 PHE A 44 2.246 10.658 -17.313 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.496 12.482 -16.025 1.00 1.00 C ATOM 663 CZ PHE A 44 1.847 11.955 -17.229 1.00 1.00 C ATOM 0 H PHE A 44 -0.827 8.889 -14.704 1.00 1.00 H new ATOM 0 HA PHE A 44 1.048 7.669 -14.368 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.917 10.156 -12.806 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.973 9.025 -13.630 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.613 8.823 -16.211 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.267 12.095 -13.901 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.525 10.240 -18.269 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.179 13.512 -15.958 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.809 12.567 -18.118 1.00 1.00 H new ATOM 673 N ALA A 45 -0.105 7.024 -11.950 1.00 1.00 N ATOM 674 CA ALA A 45 -0.019 5.966 -10.958 1.00 1.00 C ATOM 675 C ALA A 45 -1.263 5.080 -11.055 1.00 1.00 C ATOM 676 O ALA A 45 -2.238 5.442 -11.712 1.00 1.00 O ATOM 677 CB ALA A 45 0.151 6.580 -9.568 1.00 1.00 C ATOM 0 H ALA A 45 -1.022 7.127 -12.385 1.00 1.00 H new ATOM 0 HA ALA A 45 0.851 5.336 -11.144 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.215 5.785 -8.825 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.064 7.176 -9.542 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.705 7.217 -9.345 1.00 1.00 H new ATOM 683 N CYS A 46 -1.188 3.935 -10.392 1.00 1.00 N ATOM 684 CA CYS A 46 -2.251 2.948 -10.481 1.00 1.00 C ATOM 685 C CYS A 46 -3.145 3.090 -9.248 1.00 1.00 C ATOM 686 O CYS A 46 -2.738 2.745 -8.140 1.00 1.00 O ATOM 687 CB CYS A 46 -1.695 1.529 -10.623 1.00 1.00 C ATOM 688 SG CYS A 46 -2.933 0.196 -10.426 1.00 1.00 S ATOM 0 H CYS A 46 -0.408 3.669 -9.791 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.842 3.128 -11.379 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.231 1.432 -11.605 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -0.908 1.387 -9.883 1.00 1.00 H new ATOM 693 N TRP A 47 -4.345 3.599 -9.481 1.00 1.00 N ATOM 694 CA TRP A 47 -5.380 3.572 -8.463 1.00 1.00 C ATOM 695 C TRP A 47 -6.092 2.220 -8.547 1.00 1.00 C ATOM 696 O TRP A 47 -6.714 1.905 -9.559 1.00 1.00 O ATOM 697 CB TRP A 47 -6.332 4.759 -8.617 1.00 1.00 C ATOM 698 CG TRP A 47 -7.469 4.783 -7.593 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.539 3.980 -7.530 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.605 5.692 -6.480 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.353 4.304 -6.463 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.767 5.378 -5.804 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.775 6.746 -6.059 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -9.203 6.068 -4.667 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -7.226 7.427 -4.921 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.392 7.122 -4.229 1.00 1.00 C ATOM 0 H TRP A 47 -4.624 4.033 -10.361 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.945 3.675 -7.469 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.760 5.683 -8.532 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.760 4.740 -9.619 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.740 3.179 -8.227 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -10.224 3.840 -6.206 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.862 7.010 -6.572 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -10.116 5.802 -4.155 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.625 8.247 -4.556 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.671 7.695 -3.357 1.00 1.00 H new ATOM 717 N CYS A 48 -5.976 1.459 -7.469 1.00 1.00 N ATOM 718 CA CYS A 48 -6.643 0.170 -7.389 1.00 1.00 C ATOM 719 C CYS A 48 -7.873 0.321 -6.491 1.00 1.00 C ATOM 720 O CYS A 48 -7.840 1.056 -5.506 1.00 1.00 O ATOM 721 CB CYS A 48 -5.700 -0.925 -6.887 1.00 1.00 C ATOM 722 SG CYS A 48 -4.622 -1.658 -8.171 1.00 1.00 S ATOM 0 H CYS A 48 -5.431 1.710 -6.644 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.958 -0.142 -8.385 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.072 -0.510 -6.099 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.295 -1.719 -6.436 1.00 1.00 H new ATOM 727 N THR A 49 -8.928 -0.390 -6.862 1.00 1.00 N ATOM 728 CA THR A 49 -10.256 -0.071 -6.365 1.00 1.00 C ATOM 729 C THR A 49 -11.074 -1.351 -6.177 1.00 1.00 C ATOM 730 O THR A 49 -12.212 -1.437 -6.636 1.00 1.00 O ATOM 731 CB THR A 49 -10.898 0.924 -7.333 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.272 0.939 -6.955 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.915 0.410 -8.775 1.00 1.00 C ATOM 0 H THR A 49 -8.890 -1.185 -7.500 1.00 1.00 H new ATOM 0 HA THR A 49 -10.209 0.397 -5.382 1.00 1.00 H new ATOM 0 HB THR A 49 -10.359 1.871 -7.291 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.689 0.088 -7.204 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.381 1.154 -9.421 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.893 0.229 -9.109 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.483 -0.519 -8.823 1.00 1.00 H new ATOM 741 N HIS A 50 -10.463 -2.312 -5.500 1.00 1.00 N ATOM 742 CA HIS A 50 -11.218 -3.393 -4.889 1.00 1.00 C ATOM 743 C HIS A 50 -10.299 -4.209 -3.977 1.00 1.00 C ATOM 744 O HIS A 50 -10.109 -5.404 -4.191 1.00 1.00 O ATOM 745 CB HIS A 50 -11.903 -4.247 -5.957 1.00 1.00 C ATOM 746 CG HIS A 50 -13.357 -3.902 -6.181 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.293 -3.906 -5.161 1.00 1.00 N ATOM 748 CD2 HIS A 50 -14.023 -3.542 -7.315 1.00 1.00 C ATOM 749 CE1 HIS A 50 -15.467 -3.563 -5.671 1.00 1.00 C ATOM 750 NE2 HIS A 50 -15.298 -3.338 -7.005 1.00 1.00 N ATOM 0 H HIS A 50 -9.454 -2.365 -5.361 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.015 -2.981 -4.269 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.364 -4.134 -6.898 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -11.829 -5.296 -5.671 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -13.588 -3.440 -8.298 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -16.395 -3.477 -5.125 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -16.031 -3.059 -7.658 1.00 1.00 H new ATOM 758 N LEU A 51 -9.755 -3.529 -2.978 1.00 1.00 N ATOM 759 CA LEU A 51 -8.710 -4.115 -2.157 1.00 1.00 C ATOM 760 C LEU A 51 -9.296 -4.517 -0.803 1.00 1.00 C ATOM 761 O LEU A 51 -10.439 -4.185 -0.493 1.00 1.00 O ATOM 762 CB LEU A 51 -7.516 -3.163 -2.052 1.00 1.00 C ATOM 763 CG LEU A 51 -6.959 -2.636 -3.375 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.186 -1.333 -3.166 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.110 -3.699 -4.075 1.00 1.00 C ATOM 0 H LEU A 51 -10.019 -2.578 -2.719 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.326 -5.024 -2.620 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -7.809 -2.311 -1.439 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.714 -3.676 -1.522 1.00 1.00 H new ATOM 0 HG LEU A 51 -7.799 -2.410 -4.032 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.801 -0.981 -4.123 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.850 -0.580 -2.743 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.355 -1.509 -2.483 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.726 -3.298 -5.013 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.276 -3.980 -3.432 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.722 -4.577 -4.279 1.00 1.00 H new ATOM 777 N TYR A 52 -8.486 -5.228 -0.031 1.00 1.00 N ATOM 778 CA TYR A 52 -8.755 -5.390 1.388 1.00 1.00 C ATOM 779 C TYR A 52 -7.785 -4.558 2.228 1.00 1.00 C ATOM 780 O TYR A 52 -6.927 -3.863 1.686 1.00 1.00 O ATOM 781 CB TYR A 52 -8.534 -6.872 1.693 1.00 1.00 C ATOM 782 CG TYR A 52 -7.542 -7.560 0.751 1.00 1.00 C ATOM 783 CD1 TYR A 52 -6.216 -7.182 0.752 1.00 1.00 C ATOM 784 CD2 TYR A 52 -7.976 -8.558 -0.097 1.00 1.00 C ATOM 785 CE1 TYR A 52 -5.283 -7.830 -0.134 1.00 1.00 C ATOM 786 CE2 TYR A 52 -7.044 -9.205 -0.983 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.743 -8.810 -0.957 1.00 1.00 C ATOM 788 OH TYR A 52 -4.862 -9.420 -1.794 1.00 1.00 O ATOM 0 H TYR A 52 -7.643 -5.698 -0.362 1.00 1.00 H new ATOM 0 HA TYR A 52 -9.766 -5.061 1.627 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.176 -6.972 2.718 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.491 -7.391 1.638 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -5.877 -6.401 1.416 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -9.015 -8.854 -0.096 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -4.242 -7.544 -0.144 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -7.371 -9.986 -1.653 1.00 1.00 H new ATOM 0 HH TYR A 52 -5.330 -10.100 -2.322 1.00 1.00 H new ATOM 798 N GLU A 53 -7.953 -4.655 3.539 1.00 1.00 N ATOM 799 CA GLU A 53 -7.192 -3.823 4.455 1.00 1.00 C ATOM 800 C GLU A 53 -5.711 -4.201 4.409 1.00 1.00 C ATOM 801 O GLU A 53 -4.855 -3.425 4.831 1.00 1.00 O ATOM 802 CB GLU A 53 -7.742 -3.931 5.879 1.00 1.00 C ATOM 803 CG GLU A 53 -7.680 -5.374 6.382 1.00 1.00 C ATOM 804 CD GLU A 53 -9.051 -6.047 6.288 1.00 1.00 C ATOM 805 OE1 GLU A 53 -9.423 -6.420 5.155 1.00 1.00 O ATOM 806 OE2 GLU A 53 -9.695 -6.173 7.352 1.00 1.00 O ATOM 0 H GLU A 53 -8.605 -5.298 3.988 1.00 1.00 H new ATOM 0 HA GLU A 53 -7.291 -2.784 4.140 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -7.169 -3.285 6.544 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.773 -3.578 5.902 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -6.954 -5.937 5.795 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -7.334 -5.388 7.416 1.00 1.00 H new ATOM 813 N GLN A 54 -5.452 -5.394 3.892 1.00 1.00 N ATOM 814 CA GLN A 54 -4.090 -5.892 3.804 1.00 1.00 C ATOM 815 C GLN A 54 -3.367 -5.249 2.618 1.00 1.00 C ATOM 816 O GLN A 54 -2.184 -5.503 2.397 1.00 1.00 O ATOM 817 CB GLN A 54 -4.070 -7.417 3.697 1.00 1.00 C ATOM 818 CG GLN A 54 -4.411 -8.066 5.039 1.00 1.00 C ATOM 819 CD GLN A 54 -4.470 -9.590 4.913 1.00 1.00 C ATOM 820 OE1 GLN A 54 -3.934 -10.183 3.991 1.00 1.00 O ATOM 821 NE2 GLN A 54 -5.148 -10.187 5.889 1.00 1.00 N ATOM 0 H GLN A 54 -6.163 -6.030 3.530 1.00 1.00 H new ATOM 0 HA GLN A 54 -3.563 -5.619 4.718 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -4.785 -7.741 2.940 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.085 -7.749 3.368 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.663 -7.788 5.782 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -5.370 -7.690 5.396 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -5.572 -9.629 6.631 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -5.244 -11.202 5.896 1.00 1.00 H new ATOM 830 N ALA A 55 -4.108 -4.429 1.888 1.00 1.00 N ATOM 831 CA ALA A 55 -3.510 -3.602 0.853 1.00 1.00 C ATOM 832 C ALA A 55 -3.166 -2.231 1.437 1.00 1.00 C ATOM 833 O ALA A 55 -3.925 -1.684 2.236 1.00 1.00 O ATOM 834 CB ALA A 55 -4.466 -3.505 -0.338 1.00 1.00 C ATOM 0 H ALA A 55 -5.117 -4.319 1.992 1.00 1.00 H new ATOM 0 HA ALA A 55 -2.583 -4.049 0.492 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -4.018 -2.885 -1.115 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -4.656 -4.502 -0.735 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -5.406 -3.058 -0.014 1.00 1.00 H new ATOM 840 N ILE A 56 -2.022 -1.714 1.015 1.00 1.00 N ATOM 841 CA ILE A 56 -1.579 -0.406 1.468 1.00 1.00 C ATOM 842 C ILE A 56 -1.470 0.535 0.267 1.00 1.00 C ATOM 843 O ILE A 56 -1.230 0.091 -0.855 1.00 1.00 O ATOM 844 CB ILE A 56 -0.282 -0.529 2.272 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.423 -1.569 3.385 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.158 0.833 2.813 1.00 1.00 C ATOM 847 CD1 ILE A 56 0.930 -1.860 4.038 1.00 1.00 C ATOM 0 H ILE A 56 -1.388 -2.177 0.364 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.310 0.029 2.149 1.00 1.00 H new ATOM 0 HB ILE A 56 0.503 -0.879 1.602 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.124 -1.209 4.138 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -0.839 -2.490 2.977 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.082 0.718 3.380 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.326 1.518 1.982 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.619 1.235 3.463 1.00 1.00 H new ATOM 0 HD11 ILE A 56 0.802 -2.602 4.826 1.00 1.00 H new ATOM 0 HD12 ILE A 56 1.621 -2.243 3.287 1.00 1.00 H new ATOM 0 HD13 ILE A 56 1.332 -0.942 4.467 1.00 1.00 H new ATOM 859 N VAL A 57 -1.654 1.818 0.543 1.00 1.00 N ATOM 860 CA VAL A 57 -1.628 2.821 -0.509 1.00 1.00 C ATOM 861 C VAL A 57 -0.630 3.919 -0.136 1.00 1.00 C ATOM 862 O VAL A 57 -0.437 4.213 1.043 1.00 1.00 O ATOM 863 CB VAL A 57 -3.039 3.355 -0.757 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.956 3.056 0.431 1.00 1.00 C ATOM 865 CG2 VAL A 57 -3.013 4.852 -1.066 1.00 1.00 C ATOM 0 H VAL A 57 -1.822 2.186 1.479 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.292 2.381 -1.448 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.442 2.840 -1.629 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.953 3.447 0.228 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -4.013 1.978 0.585 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.556 3.530 1.328 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -4.030 5.206 -1.238 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -2.580 5.390 -0.223 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.411 5.029 -1.957 1.00 1.00 H new ATOM 875 N TRP A 58 -0.023 4.496 -1.162 1.00 1.00 N ATOM 876 CA TRP A 58 1.251 5.174 -0.993 1.00 1.00 C ATOM 877 C TRP A 58 1.068 6.273 0.056 1.00 1.00 C ATOM 878 O TRP A 58 -0.040 6.773 0.248 1.00 1.00 O ATOM 879 CB TRP A 58 1.772 5.705 -2.331 1.00 1.00 C ATOM 880 CG TRP A 58 3.120 6.421 -2.233 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.346 5.888 -2.328 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.330 7.833 -2.019 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.326 6.849 -2.190 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.690 8.069 -1.995 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.402 8.875 -1.848 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.243 9.341 -1.806 1.00 1.00 C ATOM 887 CZ3 TRP A 58 2.972 10.141 -1.658 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.338 10.395 -1.633 1.00 1.00 C ATOM 0 H TRP A 58 -0.390 4.508 -2.114 1.00 1.00 H new ATOM 0 HA TRP A 58 2.013 4.479 -0.639 1.00 1.00 H new ATOM 0 HB2 TRP A 58 1.864 4.873 -3.029 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.036 6.392 -2.749 1.00 1.00 H new ATOM 0 HD1 TRP A 58 4.542 4.839 -2.492 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.333 6.693 -2.225 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.334 8.713 -1.862 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.311 9.501 -1.794 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.303 10.978 -1.521 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.700 11.401 -1.481 1.00 1.00 H new ATOM 899 N PRO A 59 2.199 6.625 0.723 1.00 1.00 N ATOM 900 CA PRO A 59 3.358 5.749 0.746 1.00 1.00 C ATOM 901 C PRO A 59 3.131 4.564 1.687 1.00 1.00 C ATOM 902 O PRO A 59 2.043 4.406 2.240 1.00 1.00 O ATOM 903 CB PRO A 59 4.514 6.636 1.178 1.00 1.00 C ATOM 904 CG PRO A 59 3.882 7.857 1.827 1.00 1.00 C ATOM 905 CD PRO A 59 2.404 7.862 1.471 1.00 1.00 C ATOM 0 HA PRO A 59 3.562 5.296 -0.224 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.166 6.114 1.879 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.128 6.921 0.324 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.014 7.826 2.909 1.00 1.00 H new ATOM 0 HG3 PRO A 59 4.363 8.769 1.473 1.00 1.00 H new ATOM 0 HD2 PRO A 59 1.781 7.892 2.365 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.144 8.735 0.872 1.00 1.00 H new ATOM 913 N LEU A 60 4.174 3.761 1.838 1.00 1.00 N ATOM 914 CA LEU A 60 4.337 2.964 3.043 1.00 1.00 C ATOM 915 C LEU A 60 4.642 3.889 4.223 1.00 1.00 C ATOM 916 O LEU A 60 5.172 4.983 4.038 1.00 1.00 O ATOM 917 CB LEU A 60 5.388 1.875 2.827 1.00 1.00 C ATOM 918 CG LEU A 60 5.112 0.892 1.687 1.00 1.00 C ATOM 919 CD1 LEU A 60 6.416 0.411 1.048 1.00 1.00 C ATOM 920 CD2 LEU A 60 4.245 -0.274 2.167 1.00 1.00 C ATOM 0 H LEU A 60 4.915 3.645 1.146 1.00 1.00 H new ATOM 0 HA LEU A 60 3.412 2.438 3.280 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.348 2.356 2.641 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.490 1.308 3.752 1.00 1.00 H new ATOM 0 HG LEU A 60 4.550 1.416 0.914 1.00 1.00 H new ATOM 0 HD11 LEU A 60 6.190 -0.286 0.241 1.00 1.00 H new ATOM 0 HD12 LEU A 60 6.962 1.265 0.647 1.00 1.00 H new ATOM 0 HD13 LEU A 60 7.027 -0.089 1.800 1.00 1.00 H new ATOM 0 HD21 LEU A 60 4.064 -0.958 1.338 1.00 1.00 H new ATOM 0 HD22 LEU A 60 4.759 -0.804 2.969 1.00 1.00 H new ATOM 0 HD23 LEU A 60 3.294 0.108 2.537 1.00 1.00 H new ATOM 932 N PRO A 61 4.285 3.402 5.442 1.00 1.00 N ATOM 933 CA PRO A 61 4.099 4.290 6.576 1.00 1.00 C ATOM 934 C PRO A 61 5.444 4.769 7.124 1.00 1.00 C ATOM 935 O PRO A 61 5.552 5.887 7.626 1.00 1.00 O ATOM 936 CB PRO A 61 3.302 3.478 7.585 1.00 1.00 C ATOM 937 CG PRO A 61 3.472 2.024 7.176 1.00 1.00 C ATOM 938 CD PRO A 61 4.049 1.999 5.769 1.00 1.00 C ATOM 0 HA PRO A 61 3.568 5.204 6.311 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.669 3.644 8.598 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.251 3.766 7.576 1.00 1.00 H new ATOM 0 HG2 PRO A 61 4.135 1.508 7.870 1.00 1.00 H new ATOM 0 HG3 PRO A 61 2.514 1.505 7.205 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.973 1.422 5.730 1.00 1.00 H new ATOM 0 HD3 PRO A 61 3.356 1.539 5.065 1.00 1.00 H new ATOM 946 N ASN A 62 6.438 3.899 7.010 1.00 1.00 N ATOM 947 CA ASN A 62 7.810 4.290 7.286 1.00 1.00 C ATOM 948 C ASN A 62 8.762 3.345 6.549 1.00 1.00 C ATOM 949 O ASN A 62 9.643 2.745 7.161 1.00 1.00 O ATOM 950 CB ASN A 62 8.118 4.198 8.782 1.00 1.00 C ATOM 951 CG ASN A 62 7.587 2.889 9.372 1.00 1.00 C ATOM 952 OD1 ASN A 62 8.239 1.858 9.347 1.00 1.00 O ATOM 953 ND2 ASN A 62 6.372 2.988 9.902 1.00 1.00 N ATOM 0 H ASN A 62 6.320 2.925 6.730 1.00 1.00 H new ATOM 0 HA ASN A 62 7.941 5.320 6.953 1.00 1.00 H new ATOM 0 HB2 ASN A 62 9.195 4.262 8.940 1.00 1.00 H new ATOM 0 HB3 ASN A 62 7.669 5.044 9.302 1.00 1.00 H new ATOM 0 HD21 ASN A 62 5.930 2.170 10.321 1.00 1.00 H new ATOM 0 HD22 ASN A 62 5.881 3.882 9.889 1.00 1.00 H new ATOM 960 N LYS A 63 8.552 3.245 5.244 1.00 1.00 N ATOM 961 CA LYS A 63 9.527 2.606 4.376 1.00 1.00 C ATOM 962 C LYS A 63 9.090 2.769 2.919 1.00 1.00 C ATOM 963 O LYS A 63 8.885 1.781 2.215 1.00 1.00 O ATOM 964 CB LYS A 63 9.745 1.151 4.795 1.00 1.00 C ATOM 965 CG LYS A 63 8.411 0.445 5.041 1.00 1.00 C ATOM 966 CD LYS A 63 8.623 -0.906 5.726 1.00 1.00 C ATOM 967 CE LYS A 63 8.310 -0.816 7.221 1.00 1.00 C ATOM 968 NZ LYS A 63 9.306 0.035 7.909 1.00 1.00 N ATOM 0 H LYS A 63 7.721 3.596 4.767 1.00 1.00 H new ATOM 0 HA LYS A 63 10.499 3.090 4.473 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.301 0.625 4.019 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.351 1.117 5.700 1.00 1.00 H new ATOM 0 HG2 LYS A 63 7.771 1.074 5.660 1.00 1.00 H new ATOM 0 HG3 LYS A 63 7.893 0.299 4.093 1.00 1.00 H new ATOM 0 HD2 LYS A 63 7.985 -1.658 5.262 1.00 1.00 H new ATOM 0 HD3 LYS A 63 9.654 -1.232 5.585 1.00 1.00 H new ATOM 0 HE2 LYS A 63 7.311 -0.405 7.365 1.00 1.00 H new ATOM 0 HE3 LYS A 63 8.311 -1.814 7.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 8.909 0.378 8.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 10.164 -0.520 8.100 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 9.546 0.847 7.305 1.00 1.00 H new ATOM 982 N ARG A 64 8.960 4.022 2.510 1.00 1.00 N ATOM 983 CA ARG A 64 8.690 4.330 1.115 1.00 1.00 C ATOM 984 C ARG A 64 9.932 4.061 0.262 1.00 1.00 C ATOM 985 O ARG A 64 11.013 3.814 0.794 1.00 1.00 O ATOM 986 CB ARG A 64 8.269 5.791 0.945 1.00 1.00 C ATOM 987 CG ARG A 64 9.469 6.728 1.097 1.00 1.00 C ATOM 988 CD ARG A 64 9.013 8.173 1.311 1.00 1.00 C ATOM 989 NE ARG A 64 10.146 9.099 1.091 1.00 1.00 N ATOM 990 CZ ARG A 64 10.144 10.388 1.458 1.00 1.00 C ATOM 991 NH1 ARG A 64 9.024 10.948 1.936 1.00 1.00 N ATOM 992 NH2 ARG A 64 11.263 11.118 1.346 1.00 1.00 N ATOM 0 H ARG A 64 9.036 4.836 3.120 1.00 1.00 H new ATOM 0 HA ARG A 64 7.873 3.688 0.786 1.00 1.00 H new ATOM 0 HB2 ARG A 64 7.816 5.931 -0.036 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.510 6.043 1.686 1.00 1.00 H new ATOM 0 HG2 ARG A 64 10.081 6.407 1.940 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.096 6.669 0.207 1.00 1.00 H new ATOM 0 HD2 ARG A 64 8.199 8.412 0.626 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.624 8.294 2.322 1.00 1.00 H new ATOM 0 HE ARG A 64 10.980 8.734 0.632 1.00 1.00 H new ATOM 0 HH11 ARG A 64 8.172 10.393 2.021 1.00 1.00 H new ATOM 0 HH12 ARG A 64 9.023 11.929 2.215 1.00 1.00 H new ATOM 0 HH21 ARG A 64 12.115 10.692 0.982 1.00 1.00 H new ATOM 0 HH22 ARG A 64 11.262 12.099 1.625 1.00 1.00 H new ATOM 1006 N CYS A 65 9.735 4.118 -1.047 1.00 1.00 N ATOM 1007 CA CYS A 65 10.756 3.667 -1.977 1.00 1.00 C ATOM 1008 C CYS A 65 12.058 4.404 -1.655 1.00 1.00 C ATOM 1009 O CYS A 65 13.096 3.775 -1.451 1.00 1.00 O ATOM 1010 CB CYS A 65 10.327 3.875 -3.431 1.00 1.00 C ATOM 1011 SG CYS A 65 11.356 3.001 -4.667 1.00 1.00 S ATOM 0 H CYS A 65 8.884 4.470 -1.485 1.00 1.00 H new ATOM 0 HA CYS A 65 10.909 2.594 -1.862 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.294 3.546 -3.541 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.347 4.942 -3.652 1.00 1.00 H new ATOM 1016 N SER A 66 11.960 5.725 -1.619 1.00 1.00 N ATOM 1017 CA SER A 66 13.133 6.556 -1.409 1.00 1.00 C ATOM 1018 C SER A 66 13.672 6.353 0.009 1.00 1.00 C ATOM 1019 O SER A 66 14.877 6.450 0.238 1.00 1.00 O ATOM 1020 CB SER A 66 12.811 8.032 -1.649 1.00 1.00 C ATOM 1021 OG SER A 66 11.665 8.454 -0.917 1.00 1.00 O ATOM 0 H SER A 66 11.087 6.240 -1.732 1.00 1.00 H new ATOM 0 HA SER A 66 13.897 6.257 -2.126 1.00 1.00 H new ATOM 0 HB2 SER A 66 13.668 8.641 -1.363 1.00 1.00 H new ATOM 0 HB3 SER A 66 12.643 8.198 -2.713 1.00 1.00 H new ATOM 0 HG SER A 66 11.494 9.402 -1.096 1.00 1.00 H new HETATM 1027 N NH2 A 67 12.753 6.076 0.923 1.00 1.00 N TER 1030 NH2 A 67