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 8 LYS NZ :NH3+ 169:sc=-0.00557 (180deg=-0.123) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 171:sc= 2.09 (180deg=0.179) USER MOD Set 2.2: A 32 GLN : amide:sc= 2.43 K(o=4.5,f=-5.6!) USER MOD Single : A 1 LYS N :NH3+ -156:sc= 1.91 (180deg=1.48) USER MOD Single : A 1 LYS NZ :NH3+ 176:sc= -0.228 (180deg=-0.24) USER MOD Single : A 4 TYR OH : rot 46:sc= 0.209 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 14 TYR OH : rot -61:sc= 0.927 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.02) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0894) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -70:sc= 0.711 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -76:sc= 1.08 USER MOD Single : A 50 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.6) USER MOD Single : A 52 TYR OH : rot 43:sc= 0.973 USER MOD Single : A 54 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.31) USER MOD Single : A 62 ASN : amide:sc= 0.376 K(o=0.38,f=-5.4!) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 1.73 (180deg=1.56) USER MOD Single : A 66 SER OG : rot 26:sc= 0.446 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.844 -0.818 0.297 1.00 1.00 N ATOM 2 CA LYS A 1 -9.693 -0.098 0.814 1.00 1.00 C ATOM 3 C LYS A 1 -8.932 0.543 -0.349 1.00 1.00 C ATOM 4 O LYS A 1 -7.753 0.261 -0.553 1.00 1.00 O ATOM 5 CB LYS A 1 -8.830 -1.018 1.680 1.00 1.00 C ATOM 6 CG LYS A 1 -7.904 -0.208 2.589 1.00 1.00 C ATOM 7 CD LYS A 1 -6.457 -0.690 2.467 1.00 1.00 C ATOM 8 CE LYS A 1 -5.581 -0.078 3.563 1.00 1.00 C ATOM 9 NZ LYS A 1 -5.672 -0.878 4.805 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.564 -0.903 1.043 1.00 1.00 H new ATOM 0 H2 LYS A 1 -11.243 -0.300 -0.512 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.550 -1.767 -0.010 1.00 1.00 H new ATOM 0 HA LYS A 1 -10.014 0.711 1.470 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.471 -1.659 2.286 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.237 -1.673 1.042 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -7.963 0.848 2.326 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -8.235 -0.297 3.624 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -6.425 -1.777 2.536 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -6.062 -0.421 1.488 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -4.545 -0.034 3.227 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -5.896 0.947 3.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -5.021 -0.489 5.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -6.645 -0.843 5.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -5.414 -1.865 4.602 1.00 1.00 H new ATOM 25 N GLU A 2 -9.640 1.392 -1.079 1.00 1.00 N ATOM 26 CA GLU A 2 -9.210 1.767 -2.416 1.00 1.00 C ATOM 27 C GLU A 2 -8.186 2.901 -2.345 1.00 1.00 C ATOM 28 O GLU A 2 -8.411 3.904 -1.670 1.00 1.00 O ATOM 29 CB GLU A 2 -10.405 2.161 -3.286 1.00 1.00 C ATOM 30 CG GLU A 2 -11.507 1.103 -3.214 1.00 1.00 C ATOM 31 CD GLU A 2 -12.538 1.456 -2.138 1.00 1.00 C ATOM 32 OE1 GLU A 2 -12.297 1.069 -0.974 1.00 1.00 O ATOM 33 OE2 GLU A 2 -13.541 2.105 -2.505 1.00 1.00 O ATOM 0 H GLU A 2 -10.508 1.831 -0.771 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.735 0.903 -2.880 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.797 3.123 -2.957 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -10.082 2.285 -4.320 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -12.001 1.021 -4.182 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.068 0.130 -2.996 1.00 1.00 H new ATOM 40 N GLY A 3 -7.082 2.705 -3.051 1.00 1.00 N ATOM 41 CA GLY A 3 -5.996 3.669 -3.026 1.00 1.00 C ATOM 42 C GLY A 3 -4.966 3.364 -4.115 1.00 1.00 C ATOM 43 O GLY A 3 -5.165 2.462 -4.927 1.00 1.00 O ATOM 0 H GLY A 3 -6.917 1.892 -3.644 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.394 4.674 -3.168 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.513 3.653 -2.049 1.00 1.00 H new ATOM 47 N TYR A 4 -3.886 4.132 -4.096 1.00 1.00 N ATOM 48 CA TYR A 4 -2.706 3.781 -4.867 1.00 1.00 C ATOM 49 C TYR A 4 -1.916 2.663 -4.183 1.00 1.00 C ATOM 50 O TYR A 4 -1.240 2.897 -3.183 1.00 1.00 O ATOM 51 CB TYR A 4 -1.842 5.044 -4.913 1.00 1.00 C ATOM 52 CG TYR A 4 -2.505 6.227 -5.621 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.619 6.232 -6.996 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.991 7.288 -4.885 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.243 7.344 -7.664 1.00 1.00 C ATOM 56 CE2 TYR A 4 -3.615 8.401 -5.552 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.710 8.374 -6.909 1.00 1.00 C ATOM 58 OH TYR A 4 -4.300 9.425 -7.539 1.00 1.00 O ATOM 0 H TYR A 4 -3.804 4.995 -3.559 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.987 3.429 -5.860 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.592 5.338 -3.894 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.904 4.812 -5.417 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.240 5.401 -7.572 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -2.903 7.284 -3.809 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.338 7.360 -8.740 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.999 9.238 -4.988 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.926 9.092 -8.215 1.00 1.00 H new ATOM 68 N LEU A 5 -2.028 1.471 -4.751 1.00 1.00 N ATOM 69 CA LEU A 5 -1.294 0.327 -4.240 1.00 1.00 C ATOM 70 C LEU A 5 0.170 0.721 -4.025 1.00 1.00 C ATOM 71 O LEU A 5 0.737 1.471 -4.818 1.00 1.00 O ATOM 72 CB LEU A 5 -1.475 -0.882 -5.162 1.00 1.00 C ATOM 73 CG LEU A 5 -0.472 -1.007 -6.309 1.00 1.00 C ATOM 74 CD1 LEU A 5 -0.203 -2.475 -6.644 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.937 -0.216 -7.534 1.00 1.00 C ATOM 0 H LEU A 5 -2.616 1.273 -5.560 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.690 0.023 -3.271 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.419 -1.787 -4.557 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.478 -0.843 -5.586 1.00 1.00 H new ATOM 0 HG LEU A 5 0.473 -0.572 -5.985 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.514 -2.536 -7.463 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.204 -2.980 -5.768 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -1.135 -2.957 -6.940 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.205 -0.322 -8.335 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.901 -0.599 -7.870 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -1.037 0.837 -7.271 1.00 1.00 H new ATOM 87 N VAL A 6 0.737 0.197 -2.950 1.00 1.00 N ATOM 88 CA VAL A 6 2.145 0.420 -2.663 1.00 1.00 C ATOM 89 C VAL A 6 2.914 -0.888 -2.859 1.00 1.00 C ATOM 90 O VAL A 6 2.343 -1.972 -2.748 1.00 1.00 O ATOM 91 CB VAL A 6 2.306 1.003 -1.257 1.00 1.00 C ATOM 92 CG1 VAL A 6 2.095 -0.072 -0.190 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.672 1.675 -1.096 1.00 1.00 C ATOM 0 H VAL A 6 0.248 -0.381 -2.266 1.00 1.00 H new ATOM 0 HA VAL A 6 2.565 1.151 -3.354 1.00 1.00 H new ATOM 0 HB VAL A 6 1.539 1.765 -1.120 1.00 1.00 H new ATOM 0 HG11 VAL A 6 2.215 0.369 0.800 1.00 1.00 H new ATOM 0 HG12 VAL A 6 1.091 -0.485 -0.284 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.829 -0.867 -0.324 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.761 2.081 -0.088 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.460 0.941 -1.263 1.00 1.00 H new ATOM 0 HG23 VAL A 6 3.768 2.482 -1.822 1.00 1.00 H new ATOM 103 N ASP A 7 4.199 -0.743 -3.149 1.00 1.00 N ATOM 104 CA ASP A 7 5.071 -1.898 -3.284 1.00 1.00 C ATOM 105 C ASP A 7 5.676 -2.237 -1.920 1.00 1.00 C ATOM 106 O ASP A 7 5.814 -1.365 -1.064 1.00 1.00 O ATOM 107 CB ASP A 7 6.219 -1.611 -4.253 1.00 1.00 C ATOM 108 CG ASP A 7 6.950 -2.850 -4.773 1.00 1.00 C ATOM 109 OD1 ASP A 7 6.288 -3.649 -5.471 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.155 -2.971 -4.462 1.00 1.00 O ATOM 0 H ASP A 7 4.657 0.157 -3.294 1.00 1.00 H new ATOM 0 HA ASP A 7 4.476 -2.727 -3.666 1.00 1.00 H new ATOM 0 HB2 ASP A 7 5.826 -1.055 -5.104 1.00 1.00 H new ATOM 0 HB3 ASP A 7 6.941 -0.963 -3.756 1.00 1.00 H new ATOM 115 N LYS A 8 6.020 -3.506 -1.760 1.00 1.00 N ATOM 116 CA LYS A 8 6.575 -3.979 -0.503 1.00 1.00 C ATOM 117 C LYS A 8 8.098 -3.827 -0.534 1.00 1.00 C ATOM 118 O LYS A 8 8.733 -3.690 0.510 1.00 1.00 O ATOM 119 CB LYS A 8 6.105 -5.406 -0.212 1.00 1.00 C ATOM 120 CG LYS A 8 4.903 -5.405 0.734 1.00 1.00 C ATOM 121 CD LYS A 8 4.249 -6.787 0.792 1.00 1.00 C ATOM 122 CE LYS A 8 3.096 -6.805 1.797 1.00 1.00 C ATOM 123 NZ LYS A 8 1.988 -5.943 1.330 1.00 1.00 N ATOM 0 H LYS A 8 5.925 -4.222 -2.480 1.00 1.00 H new ATOM 0 HA LYS A 8 6.210 -3.373 0.326 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.838 -5.902 -1.145 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.920 -5.978 0.231 1.00 1.00 H new ATOM 0 HG2 LYS A 8 5.222 -5.108 1.733 1.00 1.00 H new ATOM 0 HG3 LYS A 8 4.173 -4.667 0.400 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.879 -7.060 -0.196 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.992 -7.534 1.072 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.739 -7.826 1.931 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.448 -6.460 2.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 1.147 -6.108 1.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.271 -4.945 1.402 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.766 -6.169 0.339 1.00 1.00 H new ATOM 137 N ASN A 9 8.640 -3.858 -1.743 1.00 1.00 N ATOM 138 CA ASN A 9 10.077 -3.980 -1.915 1.00 1.00 C ATOM 139 C ASN A 9 10.695 -2.583 -2.008 1.00 1.00 C ATOM 140 O ASN A 9 11.395 -2.149 -1.093 1.00 1.00 O ATOM 141 CB ASN A 9 10.415 -4.732 -3.205 1.00 1.00 C ATOM 142 CG ASN A 9 10.902 -6.150 -2.900 1.00 1.00 C ATOM 143 OD1 ASN A 9 10.162 -7.118 -2.973 1.00 1.00 O ATOM 144 ND2 ASN A 9 12.185 -6.219 -2.557 1.00 1.00 N ATOM 0 H ASN A 9 8.110 -3.801 -2.612 1.00 1.00 H new ATOM 0 HA ASN A 9 10.474 -4.530 -1.061 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.535 -4.776 -3.846 1.00 1.00 H new ATOM 0 HB3 ASN A 9 11.184 -4.190 -3.756 1.00 1.00 H new ATOM 0 HD21 ASN A 9 12.606 -7.121 -2.336 1.00 1.00 H new ATOM 0 HD22 ASN A 9 12.748 -5.370 -2.515 1.00 1.00 H new ATOM 151 N THR A 10 10.414 -1.918 -3.118 1.00 1.00 N ATOM 152 CA THR A 10 10.981 -0.604 -3.367 1.00 1.00 C ATOM 153 C THR A 10 10.071 0.485 -2.794 1.00 1.00 C ATOM 154 O THR A 10 10.476 1.641 -2.679 1.00 1.00 O ATOM 155 CB THR A 10 11.216 -0.468 -4.872 1.00 1.00 C ATOM 156 OG1 THR A 10 9.956 -0.788 -5.452 1.00 1.00 O ATOM 157 CG2 THR A 10 12.161 -1.541 -5.416 1.00 1.00 C ATOM 0 H THR A 10 9.801 -2.265 -3.856 1.00 1.00 H new ATOM 0 HA THR A 10 11.939 -0.484 -2.862 1.00 1.00 H new ATOM 0 HB THR A 10 11.625 0.519 -5.087 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.019 -0.723 -6.428 1.00 1.00 H new ATOM 0 HG21 THR A 10 12.294 -1.399 -6.489 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.127 -1.462 -4.917 1.00 1.00 H new ATOM 0 HG23 THR A 10 11.736 -2.528 -5.231 1.00 1.00 H new ATOM 165 N GLY A 11 8.858 0.078 -2.449 1.00 1.00 N ATOM 166 CA GLY A 11 7.831 1.031 -2.065 1.00 1.00 C ATOM 167 C GLY A 11 7.143 1.623 -3.296 1.00 1.00 C ATOM 168 O GLY A 11 6.116 2.290 -3.177 1.00 1.00 O ATOM 0 H GLY A 11 8.564 -0.898 -2.427 1.00 1.00 H new ATOM 0 HA2 GLY A 11 7.092 0.539 -1.433 1.00 1.00 H new ATOM 0 HA3 GLY A 11 8.276 1.831 -1.473 1.00 1.00 H new ATOM 172 N CYS A 12 7.736 1.358 -4.451 1.00 1.00 N ATOM 173 CA CYS A 12 7.491 2.178 -5.624 1.00 1.00 C ATOM 174 C CYS A 12 6.509 1.436 -6.533 1.00 1.00 C ATOM 175 O CYS A 12 5.304 1.678 -6.479 1.00 1.00 O ATOM 176 CB CYS A 12 8.791 2.526 -6.352 1.00 1.00 C ATOM 177 SG CYS A 12 9.763 3.873 -5.586 1.00 1.00 S ATOM 0 H CYS A 12 8.386 0.586 -4.599 1.00 1.00 H new ATOM 0 HA CYS A 12 7.055 3.130 -5.321 1.00 1.00 H new ATOM 0 HB2 CYS A 12 9.413 1.632 -6.403 1.00 1.00 H new ATOM 0 HB3 CYS A 12 8.552 2.807 -7.378 1.00 1.00 H new ATOM 182 N LYS A 13 7.061 0.548 -7.347 1.00 1.00 N ATOM 183 CA LYS A 13 6.285 -0.084 -8.401 1.00 1.00 C ATOM 184 C LYS A 13 5.721 0.994 -9.329 1.00 1.00 C ATOM 185 O LYS A 13 6.362 1.370 -10.310 1.00 1.00 O ATOM 186 CB LYS A 13 5.217 -1.002 -7.802 1.00 1.00 C ATOM 187 CG LYS A 13 4.415 -1.698 -8.904 1.00 1.00 C ATOM 188 CD LYS A 13 3.577 -2.843 -8.330 1.00 1.00 C ATOM 189 CE LYS A 13 4.434 -4.089 -8.104 1.00 1.00 C ATOM 190 NZ LYS A 13 4.218 -4.628 -6.742 1.00 1.00 N ATOM 0 H LYS A 13 8.036 0.251 -7.298 1.00 1.00 H new ATOM 0 HA LYS A 13 6.920 -0.728 -9.010 1.00 1.00 H new ATOM 0 HB2 LYS A 13 5.690 -1.749 -7.164 1.00 1.00 H new ATOM 0 HB3 LYS A 13 4.546 -0.421 -7.170 1.00 1.00 H new ATOM 0 HG2 LYS A 13 3.763 -0.976 -9.396 1.00 1.00 H new ATOM 0 HG3 LYS A 13 5.094 -2.084 -9.664 1.00 1.00 H new ATOM 0 HD2 LYS A 13 3.126 -2.532 -7.388 1.00 1.00 H new ATOM 0 HD3 LYS A 13 2.760 -3.078 -9.012 1.00 1.00 H new ATOM 0 HE2 LYS A 13 4.185 -4.848 -8.845 1.00 1.00 H new ATOM 0 HE3 LYS A 13 5.487 -3.843 -8.241 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 4.686 -5.553 -6.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 4.618 -3.972 -6.041 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 3.198 -4.739 -6.570 1.00 1.00 H new ATOM 204 N TYR A 14 4.530 1.459 -8.987 1.00 1.00 N ATOM 205 CA TYR A 14 3.587 1.916 -9.995 1.00 1.00 C ATOM 206 C TYR A 14 4.308 2.284 -11.293 1.00 1.00 C ATOM 207 O TYR A 14 4.187 1.581 -12.295 1.00 1.00 O ATOM 208 CB TYR A 14 2.928 3.170 -9.418 1.00 1.00 C ATOM 209 CG TYR A 14 3.379 3.513 -7.997 1.00 1.00 C ATOM 210 CD1 TYR A 14 2.713 2.977 -6.914 1.00 1.00 C ATOM 211 CD2 TYR A 14 4.453 4.357 -7.798 1.00 1.00 C ATOM 212 CE1 TYR A 14 3.137 3.299 -5.576 1.00 1.00 C ATOM 213 CE2 TYR A 14 4.877 4.680 -6.460 1.00 1.00 C ATOM 214 CZ TYR A 14 4.198 4.135 -5.415 1.00 1.00 C ATOM 215 OH TYR A 14 4.598 4.438 -4.151 1.00 1.00 O ATOM 0 H TYR A 14 4.195 1.530 -8.026 1.00 1.00 H new ATOM 0 HA TYR A 14 2.865 1.134 -10.228 1.00 1.00 H new ATOM 0 HB2 TYR A 14 3.145 4.015 -10.071 1.00 1.00 H new ATOM 0 HB3 TYR A 14 1.847 3.034 -9.422 1.00 1.00 H new ATOM 0 HD1 TYR A 14 1.873 2.316 -7.070 1.00 1.00 H new ATOM 0 HD2 TYR A 14 4.975 4.775 -8.646 1.00 1.00 H new ATOM 0 HE1 TYR A 14 2.624 2.886 -4.720 1.00 1.00 H new ATOM 0 HE2 TYR A 14 5.715 5.340 -6.290 1.00 1.00 H new ATOM 0 HH TYR A 14 3.867 4.884 -3.675 1.00 1.00 H new ATOM 225 N GLU A 15 5.043 3.385 -11.232 1.00 1.00 N ATOM 226 CA GLU A 15 5.641 3.952 -12.430 1.00 1.00 C ATOM 227 C GLU A 15 4.787 3.623 -13.656 1.00 1.00 C ATOM 228 O GLU A 15 5.218 2.878 -14.534 1.00 1.00 O ATOM 229 CB GLU A 15 7.076 3.459 -12.612 1.00 1.00 C ATOM 230 CG GLU A 15 7.973 3.946 -11.472 1.00 1.00 C ATOM 231 CD GLU A 15 8.058 5.474 -11.455 1.00 1.00 C ATOM 232 OE1 GLU A 15 8.495 6.030 -12.486 1.00 1.00 O ATOM 233 OE2 GLU A 15 7.682 6.051 -10.412 1.00 1.00 O ATOM 0 H GLU A 15 5.238 3.899 -10.373 1.00 1.00 H new ATOM 0 HA GLU A 15 5.677 5.036 -12.317 1.00 1.00 H new ATOM 0 HB2 GLU A 15 7.088 2.370 -12.649 1.00 1.00 H new ATOM 0 HB3 GLU A 15 7.468 3.814 -13.565 1.00 1.00 H new ATOM 0 HG2 GLU A 15 7.582 3.589 -10.519 1.00 1.00 H new ATOM 0 HG3 GLU A 15 8.972 3.524 -11.585 1.00 1.00 H new ATOM 240 N CYS A 16 3.593 4.195 -13.676 1.00 1.00 N ATOM 241 CA CYS A 16 2.797 4.223 -14.892 1.00 1.00 C ATOM 242 C CYS A 16 3.277 5.392 -15.755 1.00 1.00 C ATOM 243 O CYS A 16 3.456 6.502 -15.257 1.00 1.00 O ATOM 244 CB CYS A 16 1.300 4.316 -14.588 1.00 1.00 C ATOM 245 SG CYS A 16 0.205 3.997 -16.018 1.00 1.00 S ATOM 0 H CYS A 16 3.157 4.643 -12.870 1.00 1.00 H new ATOM 0 HA CYS A 16 2.933 3.289 -15.438 1.00 1.00 H new ATOM 0 HB2 CYS A 16 1.059 3.604 -13.798 1.00 1.00 H new ATOM 0 HB3 CYS A 16 1.084 5.311 -14.198 1.00 1.00 H new ATOM 250 N LEU A 17 3.473 5.102 -17.033 1.00 1.00 N ATOM 251 CA LEU A 17 4.215 6.002 -17.899 1.00 1.00 C ATOM 252 C LEU A 17 3.365 7.241 -18.187 1.00 1.00 C ATOM 253 O LEU A 17 3.898 8.306 -18.498 1.00 1.00 O ATOM 254 CB LEU A 17 4.680 5.269 -19.159 1.00 1.00 C ATOM 255 CG LEU A 17 5.566 4.043 -18.934 1.00 1.00 C ATOM 256 CD1 LEU A 17 5.844 3.318 -20.251 1.00 1.00 C ATOM 257 CD2 LEU A 17 6.857 4.426 -18.208 1.00 1.00 C ATOM 0 H LEU A 17 3.131 4.256 -17.489 1.00 1.00 H new ATOM 0 HA LEU A 17 5.123 6.346 -17.404 1.00 1.00 H new ATOM 0 HB2 LEU A 17 3.799 4.958 -19.720 1.00 1.00 H new ATOM 0 HB3 LEU A 17 5.224 5.975 -19.786 1.00 1.00 H new ATOM 0 HG LEU A 17 5.028 3.347 -18.291 1.00 1.00 H new ATOM 0 HD11 LEU A 17 6.476 2.450 -20.062 1.00 1.00 H new ATOM 0 HD12 LEU A 17 4.902 2.992 -20.693 1.00 1.00 H new ATOM 0 HD13 LEU A 17 6.352 3.994 -20.938 1.00 1.00 H new ATOM 0 HD21 LEU A 17 7.469 3.536 -18.060 1.00 1.00 H new ATOM 0 HD22 LEU A 17 7.409 5.151 -18.806 1.00 1.00 H new ATOM 0 HD23 LEU A 17 6.614 4.864 -17.240 1.00 1.00 H new ATOM 269 N LYS A 18 2.057 7.063 -18.072 1.00 1.00 N ATOM 270 CA LYS A 18 1.132 8.165 -18.270 1.00 1.00 C ATOM 271 C LYS A 18 -0.095 7.962 -17.378 1.00 1.00 C ATOM 272 O LYS A 18 -0.100 7.087 -16.513 1.00 1.00 O ATOM 273 CB LYS A 18 0.794 8.323 -19.753 1.00 1.00 C ATOM 274 CG LYS A 18 -0.021 7.130 -20.260 1.00 1.00 C ATOM 275 CD LYS A 18 -0.413 7.317 -21.727 1.00 1.00 C ATOM 276 CE LYS A 18 -1.291 6.162 -22.211 1.00 1.00 C ATOM 277 NZ LYS A 18 -1.726 6.391 -23.607 1.00 1.00 N ATOM 0 H LYS A 18 1.616 6.172 -17.844 1.00 1.00 H new ATOM 0 HA LYS A 18 1.593 9.106 -17.971 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.231 9.244 -19.905 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.713 8.412 -20.332 1.00 1.00 H new ATOM 0 HG2 LYS A 18 0.560 6.215 -20.149 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.918 7.013 -19.652 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.947 8.260 -21.847 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.485 7.379 -22.342 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -0.738 5.225 -22.145 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.163 6.064 -21.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -2.321 5.598 -23.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.271 7.275 -23.660 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -0.891 6.462 -24.224 1.00 1.00 H new ATOM 291 N LEU A 19 -1.105 8.784 -17.619 1.00 1.00 N ATOM 292 CA LEU A 19 -2.430 8.520 -17.084 1.00 1.00 C ATOM 293 C LEU A 19 -3.344 8.035 -18.212 1.00 1.00 C ATOM 294 O LEU A 19 -3.186 8.442 -19.361 1.00 1.00 O ATOM 295 CB LEU A 19 -2.965 9.748 -16.345 1.00 1.00 C ATOM 296 CG LEU A 19 -3.006 11.049 -17.147 1.00 1.00 C ATOM 297 CD1 LEU A 19 -4.347 11.762 -16.967 1.00 1.00 C ATOM 298 CD2 LEU A 19 -1.823 11.952 -16.791 1.00 1.00 C ATOM 0 H LEU A 19 -1.033 9.634 -18.178 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.388 7.723 -16.341 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -3.974 9.527 -15.998 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.351 9.910 -15.459 1.00 1.00 H new ATOM 0 HG LEU A 19 -2.913 10.801 -18.204 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -4.350 12.684 -17.548 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.153 11.114 -17.312 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -4.496 11.997 -15.913 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -1.877 12.870 -17.376 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -1.858 12.196 -15.729 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -0.890 11.434 -17.014 1.00 1.00 H new ATOM 310 N GLY A 20 -4.279 7.172 -17.843 1.00 1.00 N ATOM 311 CA GLY A 20 -5.295 6.724 -18.781 1.00 1.00 C ATOM 312 C GLY A 20 -5.214 5.211 -18.994 1.00 1.00 C ATOM 313 O GLY A 20 -6.227 4.517 -18.935 1.00 1.00 O ATOM 0 H GLY A 20 -4.355 6.771 -16.908 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.284 6.990 -18.407 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -5.167 7.237 -19.734 1.00 1.00 H new ATOM 317 N ASP A 21 -3.998 4.745 -19.239 1.00 1.00 N ATOM 318 CA ASP A 21 -3.796 3.375 -19.680 1.00 1.00 C ATOM 319 C ASP A 21 -4.027 2.425 -18.502 1.00 1.00 C ATOM 320 O ASP A 21 -3.111 2.158 -17.726 1.00 1.00 O ATOM 321 CB ASP A 21 -2.368 3.163 -20.185 1.00 1.00 C ATOM 322 CG ASP A 21 -1.270 3.677 -19.251 1.00 1.00 C ATOM 323 OD1 ASP A 21 -1.438 4.808 -18.746 1.00 1.00 O ATOM 324 OD2 ASP A 21 -0.287 2.929 -19.065 1.00 1.00 O ATOM 0 H ASP A 21 -3.143 5.292 -19.140 1.00 1.00 H new ATOM 0 HA ASP A 21 -4.498 3.175 -20.490 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.212 2.097 -20.353 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -2.263 3.657 -21.151 1.00 1.00 H new ATOM 329 N ASN A 22 -5.256 1.942 -18.405 1.00 1.00 N ATOM 330 CA ASN A 22 -5.684 1.217 -17.221 1.00 1.00 C ATOM 331 C ASN A 22 -5.501 -0.285 -17.454 1.00 1.00 C ATOM 332 O ASN A 22 -6.336 -1.087 -17.040 1.00 1.00 O ATOM 333 CB ASN A 22 -7.163 1.472 -16.923 1.00 1.00 C ATOM 334 CG ASN A 22 -8.021 1.250 -18.171 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.541 0.173 -18.414 1.00 1.00 O ATOM 336 ND2 ASN A 22 -8.137 2.324 -18.946 1.00 1.00 N ATOM 0 H ASN A 22 -5.970 2.038 -19.127 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.082 1.561 -16.380 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.497 0.808 -16.125 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.294 2.493 -16.564 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -8.688 2.277 -19.803 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -7.675 3.195 -18.683 1.00 1.00 H new ATOM 343 N ASP A 23 -4.404 -0.618 -18.118 1.00 1.00 N ATOM 344 CA ASP A 23 -4.188 -1.982 -18.570 1.00 1.00 C ATOM 345 C ASP A 23 -3.144 -2.653 -17.675 1.00 1.00 C ATOM 346 O ASP A 23 -3.368 -3.752 -17.168 1.00 1.00 O ATOM 347 CB ASP A 23 -3.667 -2.010 -20.007 1.00 1.00 C ATOM 348 CG ASP A 23 -3.627 -3.396 -20.654 1.00 1.00 C ATOM 349 OD1 ASP A 23 -4.718 -3.887 -21.013 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.504 -3.933 -20.774 1.00 1.00 O ATOM 0 H ASP A 23 -3.655 0.033 -18.354 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.142 -2.508 -18.522 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.293 -1.359 -20.617 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -2.661 -1.590 -20.021 1.00 1.00 H new ATOM 355 N TYR A 24 -2.026 -1.963 -17.507 1.00 1.00 N ATOM 356 CA TYR A 24 -0.961 -2.461 -16.653 1.00 1.00 C ATOM 357 C TYR A 24 -1.340 -2.340 -15.176 1.00 1.00 C ATOM 358 O TYR A 24 -0.903 -3.141 -14.351 1.00 1.00 O ATOM 359 CB TYR A 24 0.253 -1.572 -16.930 1.00 1.00 C ATOM 360 CG TYR A 24 0.722 -1.594 -18.386 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.349 -2.714 -18.891 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.518 -0.494 -19.193 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.792 -2.735 -20.261 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.960 -0.514 -20.563 1.00 1.00 C ATOM 365 CZ TYR A 24 1.575 -1.634 -21.030 1.00 1.00 C ATOM 366 OH TYR A 24 1.992 -1.654 -22.324 1.00 1.00 O ATOM 0 H TYR A 24 -1.834 -1.063 -17.948 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.765 -3.513 -16.859 1.00 1.00 H new ATOM 0 HB2 TYR A 24 0.010 -0.546 -16.653 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.076 -1.889 -16.289 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.508 -3.575 -18.259 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.027 0.382 -18.797 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.285 -3.605 -20.669 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.807 0.341 -21.205 1.00 1.00 H new ATOM 0 HH TYR A 24 1.770 -0.801 -22.752 1.00 1.00 H new ATOM 376 N CYS A 25 -2.151 -1.334 -14.887 1.00 1.00 N ATOM 377 CA CYS A 25 -2.679 -1.159 -13.544 1.00 1.00 C ATOM 378 C CYS A 25 -3.466 -2.416 -13.170 1.00 1.00 C ATOM 379 O CYS A 25 -3.201 -3.036 -12.140 1.00 1.00 O ATOM 380 CB CYS A 25 -3.535 0.105 -13.432 1.00 1.00 C ATOM 381 SG CYS A 25 -4.165 0.458 -11.751 1.00 1.00 S ATOM 0 H CYS A 25 -2.456 -0.631 -15.560 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.856 -1.024 -12.842 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.946 0.957 -13.770 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -4.383 0.014 -14.111 1.00 1.00 H new ATOM 386 N LEU A 26 -4.418 -2.756 -14.026 1.00 1.00 N ATOM 387 CA LEU A 26 -5.229 -3.943 -13.812 1.00 1.00 C ATOM 388 C LEU A 26 -4.313 -5.151 -13.607 1.00 1.00 C ATOM 389 O LEU A 26 -4.407 -5.841 -12.593 1.00 1.00 O ATOM 390 CB LEU A 26 -6.233 -4.119 -14.952 1.00 1.00 C ATOM 391 CG LEU A 26 -7.662 -4.482 -14.538 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.605 -4.453 -15.742 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.697 -5.828 -13.813 1.00 1.00 C ATOM 0 H LEU A 26 -4.646 -2.230 -14.870 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.826 -3.838 -12.906 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.266 -3.193 -15.526 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.861 -4.896 -15.620 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.016 -3.729 -13.834 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.613 -4.714 -15.421 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.610 -3.453 -16.176 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.264 -5.171 -16.488 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.723 -6.062 -13.530 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.316 -6.607 -14.473 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.077 -5.776 -12.918 1.00 1.00 H new ATOM 405 N ARG A 27 -3.449 -5.370 -14.588 1.00 1.00 N ATOM 406 CA ARG A 27 -2.630 -6.571 -14.608 1.00 1.00 C ATOM 407 C ARG A 27 -1.808 -6.676 -13.322 1.00 1.00 C ATOM 408 O ARG A 27 -1.752 -7.737 -12.703 1.00 1.00 O ATOM 409 CB ARG A 27 -1.684 -6.571 -15.811 1.00 1.00 C ATOM 410 CG ARG A 27 -2.329 -7.259 -17.016 1.00 1.00 C ATOM 411 CD ARG A 27 -1.779 -6.696 -18.328 1.00 1.00 C ATOM 412 NE ARG A 27 -2.664 -7.075 -19.452 1.00 1.00 N ATOM 413 CZ ARG A 27 -3.756 -6.387 -19.813 1.00 1.00 C ATOM 414 NH1 ARG A 27 -4.308 -5.512 -18.962 1.00 1.00 N ATOM 415 NH2 ARG A 27 -4.293 -6.573 -21.026 1.00 1.00 N ATOM 0 H ARG A 27 -3.298 -4.737 -15.374 1.00 1.00 H new ATOM 0 HA ARG A 27 -3.300 -7.428 -14.685 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.421 -5.546 -16.071 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.757 -7.082 -15.549 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -2.142 -8.332 -16.970 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -3.410 -7.122 -16.982 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -1.703 -5.611 -18.264 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -0.772 -7.076 -18.503 1.00 1.00 H new ATOM 0 HE ARG A 27 -2.428 -7.912 -19.985 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -3.897 -5.369 -18.039 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -5.139 -4.988 -19.237 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -3.871 -7.238 -21.674 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -5.124 -6.050 -21.301 1.00 1.00 H new ATOM 429 N GLU A 28 -1.193 -5.561 -12.958 1.00 1.00 N ATOM 430 CA GLU A 28 -0.386 -5.511 -11.751 1.00 1.00 C ATOM 431 C GLU A 28 -1.202 -5.987 -10.547 1.00 1.00 C ATOM 432 O GLU A 28 -0.848 -6.975 -9.906 1.00 1.00 O ATOM 433 CB GLU A 28 0.165 -4.103 -11.517 1.00 1.00 C ATOM 434 CG GLU A 28 1.473 -3.892 -12.283 1.00 1.00 C ATOM 435 CD GLU A 28 2.678 -4.306 -11.437 1.00 1.00 C ATOM 436 OE1 GLU A 28 2.516 -5.263 -10.648 1.00 1.00 O ATOM 437 OE2 GLU A 28 3.734 -3.658 -11.596 1.00 1.00 O ATOM 0 H GLU A 28 -1.237 -4.685 -13.478 1.00 1.00 H new ATOM 0 HA GLU A 28 0.464 -6.182 -11.878 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.570 -3.363 -11.835 1.00 1.00 H new ATOM 0 HB3 GLU A 28 0.334 -3.947 -10.452 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.456 -4.472 -13.206 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.567 -2.844 -12.567 1.00 1.00 H new ATOM 444 N CYS A 29 -2.278 -5.263 -10.278 1.00 1.00 N ATOM 445 CA CYS A 29 -3.048 -5.488 -9.067 1.00 1.00 C ATOM 446 C CYS A 29 -3.619 -6.906 -9.117 1.00 1.00 C ATOM 447 O CYS A 29 -3.855 -7.520 -8.077 1.00 1.00 O ATOM 448 CB CYS A 29 -4.144 -4.436 -8.891 1.00 1.00 C ATOM 449 SG CYS A 29 -3.704 -3.043 -7.789 1.00 1.00 S ATOM 0 H CYS A 29 -2.635 -4.520 -10.878 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.399 -5.390 -8.197 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.405 -4.037 -9.871 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.036 -4.924 -8.498 1.00 1.00 H new ATOM 454 N LYS A 30 -3.825 -7.385 -10.334 1.00 1.00 N ATOM 455 CA LYS A 30 -4.307 -8.740 -10.535 1.00 1.00 C ATOM 456 C LYS A 30 -3.232 -9.732 -10.084 1.00 1.00 C ATOM 457 O LYS A 30 -3.524 -10.684 -9.362 1.00 1.00 O ATOM 458 CB LYS A 30 -4.759 -8.940 -11.983 1.00 1.00 C ATOM 459 CG LYS A 30 -5.834 -10.025 -12.076 1.00 1.00 C ATOM 460 CD LYS A 30 -6.214 -10.296 -13.534 1.00 1.00 C ATOM 461 CE LYS A 30 -7.429 -11.221 -13.621 1.00 1.00 C ATOM 462 NZ LYS A 30 -7.105 -12.555 -13.067 1.00 1.00 N ATOM 0 H LYS A 30 -3.667 -6.858 -11.193 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.189 -8.924 -9.922 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.148 -8.002 -12.379 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.904 -9.216 -12.600 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.470 -10.943 -11.614 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.717 -9.716 -11.517 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -6.433 -9.354 -14.038 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -5.370 -10.748 -14.055 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -8.265 -10.786 -13.073 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -7.745 -11.319 -14.659 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -7.898 -13.205 -13.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -6.248 -12.923 -13.528 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -6.940 -12.475 -12.043 1.00 1.00 H new ATOM 476 N GLN A 31 -2.011 -9.472 -10.528 1.00 1.00 N ATOM 477 CA GLN A 31 -0.898 -10.355 -10.218 1.00 1.00 C ATOM 478 C GLN A 31 -0.188 -9.888 -8.946 1.00 1.00 C ATOM 479 O GLN A 31 1.038 -9.803 -8.910 1.00 1.00 O ATOM 480 CB GLN A 31 0.079 -10.438 -11.391 1.00 1.00 C ATOM 481 CG GLN A 31 -0.606 -11.008 -12.636 1.00 1.00 C ATOM 482 CD GLN A 31 0.357 -11.043 -13.824 1.00 1.00 C ATOM 483 OE1 GLN A 31 1.567 -11.006 -13.677 1.00 1.00 O ATOM 484 NE2 GLN A 31 -0.246 -11.117 -15.007 1.00 1.00 N ATOM 0 H GLN A 31 -1.767 -8.663 -11.100 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.292 -11.356 -10.044 1.00 1.00 H new ATOM 0 HB2 GLN A 31 0.474 -9.446 -11.611 1.00 1.00 H new ATOM 0 HB3 GLN A 31 0.927 -11.066 -11.119 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -0.968 -12.015 -12.427 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -1.476 -10.401 -12.886 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -1.264 -11.145 -15.060 1.00 1.00 H new ATOM 0 HE22 GLN A 31 0.310 -11.146 -15.862 1.00 1.00 H new ATOM 493 N GLN A 32 -0.991 -9.596 -7.932 1.00 1.00 N ATOM 494 CA GLN A 32 -0.503 -9.613 -6.563 1.00 1.00 C ATOM 495 C GLN A 32 -1.674 -9.537 -5.581 1.00 1.00 C ATOM 496 O GLN A 32 -1.663 -10.198 -4.544 1.00 1.00 O ATOM 497 CB GLN A 32 0.490 -8.475 -6.321 1.00 1.00 C ATOM 498 CG GLN A 32 -0.109 -7.128 -6.731 1.00 1.00 C ATOM 499 CD GLN A 32 0.980 -6.168 -7.212 1.00 1.00 C ATOM 500 OE1 GLN A 32 1.510 -5.364 -6.462 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.285 -6.295 -8.500 1.00 1.00 N ATOM 0 H GLN A 32 -1.975 -9.347 -8.031 1.00 1.00 H new ATOM 0 HA GLN A 32 0.024 -10.553 -6.397 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.768 -8.448 -5.267 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.403 -8.658 -6.887 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -0.842 -7.278 -7.523 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.638 -6.689 -5.885 1.00 1.00 H new ATOM 0 HE21 GLN A 32 0.803 -6.988 -9.072 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.001 -5.699 -8.916 1.00 1.00 H new ATOM 510 N TYR A 33 -2.657 -8.724 -5.943 1.00 1.00 N ATOM 511 CA TYR A 33 -3.831 -8.552 -5.106 1.00 1.00 C ATOM 512 C TYR A 33 -5.099 -8.991 -5.843 1.00 1.00 C ATOM 513 O TYR A 33 -6.208 -8.651 -5.434 1.00 1.00 O ATOM 514 CB TYR A 33 -3.921 -7.054 -4.809 1.00 1.00 C ATOM 515 CG TYR A 33 -2.964 -6.578 -3.714 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.911 -7.244 -2.507 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.154 -5.483 -3.935 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.010 -6.796 -1.476 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.253 -5.035 -2.904 1.00 1.00 C ATOM 520 CZ TYR A 33 -1.225 -5.714 -1.726 1.00 1.00 C ATOM 521 OH TYR A 33 -0.374 -5.291 -0.754 1.00 1.00 O ATOM 0 H TYR A 33 -2.663 -8.178 -6.804 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.749 -9.154 -4.201 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.714 -6.500 -5.724 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.942 -6.813 -4.514 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.545 -8.101 -2.335 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.195 -4.962 -4.880 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -1.959 -7.308 -0.526 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -0.614 -4.179 -3.063 1.00 1.00 H new ATOM 0 HH TYR A 33 0.124 -4.510 -1.073 1.00 1.00 H new ATOM 531 N GLY A 34 -4.891 -9.738 -6.917 1.00 1.00 N ATOM 532 CA GLY A 34 -6.004 -10.271 -7.684 1.00 1.00 C ATOM 533 C GLY A 34 -6.730 -11.371 -6.905 1.00 1.00 C ATOM 534 O GLY A 34 -6.523 -12.556 -7.158 1.00 1.00 O ATOM 0 H GLY A 34 -3.969 -9.987 -7.274 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -6.702 -9.469 -7.924 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.640 -10.670 -8.631 1.00 1.00 H new ATOM 538 N LYS A 35 -7.567 -10.937 -5.974 1.00 1.00 N ATOM 539 CA LYS A 35 -8.674 -11.762 -5.519 1.00 1.00 C ATOM 540 C LYS A 35 -9.980 -11.226 -6.109 1.00 1.00 C ATOM 541 O LYS A 35 -11.032 -11.847 -5.962 1.00 1.00 O ATOM 542 CB LYS A 35 -8.680 -11.856 -3.992 1.00 1.00 C ATOM 543 CG LYS A 35 -7.395 -12.506 -3.476 1.00 1.00 C ATOM 544 CD LYS A 35 -7.457 -14.028 -3.614 1.00 1.00 C ATOM 545 CE LYS A 35 -7.671 -14.694 -2.254 1.00 1.00 C ATOM 546 NZ LYS A 35 -9.014 -14.368 -1.723 1.00 1.00 N ATOM 0 H LYS A 35 -7.501 -10.025 -5.522 1.00 1.00 H new ATOM 0 HA LYS A 35 -8.559 -12.785 -5.877 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.785 -10.859 -3.563 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -9.542 -12.436 -3.664 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -6.540 -12.121 -4.032 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -7.242 -12.238 -2.431 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -8.268 -14.303 -4.289 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -6.533 -14.394 -4.061 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -7.564 -15.774 -2.351 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -6.905 -14.359 -1.554 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -9.143 -14.828 -0.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -9.103 -13.338 -1.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -9.741 -14.709 -2.384 1.00 1.00 H new ATOM 560 N GLY A 36 -9.869 -10.080 -6.762 1.00 1.00 N ATOM 561 CA GLY A 36 -11.021 -9.473 -7.408 1.00 1.00 C ATOM 562 C GLY A 36 -10.793 -7.979 -7.644 1.00 1.00 C ATOM 563 O GLY A 36 -11.684 -7.164 -7.405 1.00 1.00 O ATOM 0 H GLY A 36 -9.000 -9.555 -6.858 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.213 -9.970 -8.359 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.907 -9.616 -6.789 1.00 1.00 H new ATOM 567 N ALA A 37 -9.594 -7.663 -8.112 1.00 1.00 N ATOM 568 CA ALA A 37 -9.108 -6.294 -8.062 1.00 1.00 C ATOM 569 C ALA A 37 -9.170 -5.684 -9.464 1.00 1.00 C ATOM 570 O ALA A 37 -8.720 -6.296 -10.431 1.00 1.00 O ATOM 571 CB ALA A 37 -7.693 -6.276 -7.481 1.00 1.00 C ATOM 0 H ALA A 37 -8.945 -8.331 -8.527 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.736 -5.687 -7.410 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -7.328 -5.250 -7.443 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -7.708 -6.693 -6.474 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.033 -6.873 -8.111 1.00 1.00 H new ATOM 577 N GLY A 38 -9.732 -4.486 -9.528 1.00 1.00 N ATOM 578 CA GLY A 38 -9.551 -3.636 -10.692 1.00 1.00 C ATOM 579 C GLY A 38 -8.785 -2.363 -10.329 1.00 1.00 C ATOM 580 O GLY A 38 -8.400 -2.174 -9.177 1.00 1.00 O ATOM 0 H GLY A 38 -10.313 -4.084 -8.792 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -9.010 -4.182 -11.465 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.523 -3.373 -11.109 1.00 1.00 H new ATOM 584 N GLY A 39 -8.584 -1.523 -11.334 1.00 1.00 N ATOM 585 CA GLY A 39 -7.792 -0.319 -11.157 1.00 1.00 C ATOM 586 C GLY A 39 -7.621 0.426 -12.483 1.00 1.00 C ATOM 587 O GLY A 39 -8.048 -0.058 -13.530 1.00 1.00 O ATOM 0 H GLY A 39 -8.957 -1.653 -12.274 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.274 0.334 -10.429 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.814 -0.579 -10.753 1.00 1.00 H new ATOM 591 N TYR A 40 -6.997 1.591 -12.394 1.00 1.00 N ATOM 592 CA TYR A 40 -6.629 2.335 -13.587 1.00 1.00 C ATOM 593 C TYR A 40 -5.431 3.248 -13.316 1.00 1.00 C ATOM 594 O TYR A 40 -5.046 3.446 -12.165 1.00 1.00 O ATOM 595 CB TYR A 40 -7.843 3.198 -13.937 1.00 1.00 C ATOM 596 CG TYR A 40 -8.634 3.683 -12.720 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.192 4.773 -12.000 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.789 3.028 -12.342 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.936 5.229 -10.854 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.533 3.484 -11.198 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.070 4.562 -10.509 1.00 1.00 C ATOM 602 OH TYR A 40 -10.773 4.993 -9.428 1.00 1.00 O ATOM 0 H TYR A 40 -6.737 2.038 -11.515 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.353 1.655 -14.393 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.508 4.064 -14.508 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.507 2.626 -14.585 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.288 5.285 -12.295 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.134 2.173 -12.905 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.601 6.081 -10.282 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.439 2.982 -10.893 1.00 1.00 H new ATOM 0 HH TYR A 40 -10.266 4.803 -8.611 1.00 1.00 H new ATOM 612 N CYS A 41 -4.875 3.777 -14.396 1.00 1.00 N ATOM 613 CA CYS A 41 -3.711 4.640 -14.291 1.00 1.00 C ATOM 614 C CYS A 41 -4.194 6.084 -14.146 1.00 1.00 C ATOM 615 O CYS A 41 -4.667 6.684 -15.110 1.00 1.00 O ATOM 616 CB CYS A 41 -2.772 4.470 -15.487 1.00 1.00 C ATOM 617 SG CYS A 41 -1.494 3.176 -15.282 1.00 1.00 S ATOM 0 H CYS A 41 -5.209 3.625 -15.348 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.128 4.363 -13.412 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -3.368 4.235 -16.369 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -2.277 5.422 -15.681 1.00 1.00 H new ATOM 622 N TYR A 42 -4.058 6.600 -12.933 1.00 1.00 N ATOM 623 CA TYR A 42 -4.149 8.034 -12.716 1.00 1.00 C ATOM 624 C TYR A 42 -2.817 8.721 -13.024 1.00 1.00 C ATOM 625 O TYR A 42 -1.965 8.153 -13.706 1.00 1.00 O ATOM 626 CB TYR A 42 -4.471 8.216 -11.231 1.00 1.00 C ATOM 627 CG TYR A 42 -5.779 8.966 -10.965 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.105 10.073 -11.721 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.631 8.533 -9.970 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.336 10.777 -11.471 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.862 9.238 -9.720 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.153 10.326 -10.482 1.00 1.00 C ATOM 633 OH TYR A 42 -9.315 10.991 -10.246 1.00 1.00 O ATOM 0 H TYR A 42 -3.886 6.051 -12.091 1.00 1.00 H new ATOM 0 HA TYR A 42 -4.906 8.473 -13.365 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.524 7.235 -10.758 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.652 8.755 -10.755 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -5.437 10.411 -12.500 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -6.375 7.666 -9.379 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -7.604 11.644 -12.056 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -8.539 8.910 -8.945 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.798 10.556 -9.512 1.00 1.00 H new ATOM 643 N ALA A 43 -2.679 9.933 -12.507 1.00 1.00 N ATOM 644 CA ALA A 43 -1.467 10.706 -12.726 1.00 1.00 C ATOM 645 C ALA A 43 -0.253 9.863 -12.334 1.00 1.00 C ATOM 646 O ALA A 43 0.211 9.926 -11.196 1.00 1.00 O ATOM 647 CB ALA A 43 -1.549 12.014 -11.937 1.00 1.00 C ATOM 0 H ALA A 43 -3.385 10.399 -11.937 1.00 1.00 H new ATOM 0 HA ALA A 43 -1.361 10.966 -13.779 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -0.641 12.595 -12.100 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -2.412 12.588 -12.273 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -1.652 11.792 -10.875 1.00 1.00 H new ATOM 653 N PHE A 44 0.230 9.092 -13.298 1.00 1.00 N ATOM 654 CA PHE A 44 1.515 8.430 -13.156 1.00 1.00 C ATOM 655 C PHE A 44 1.549 7.566 -11.894 1.00 1.00 C ATOM 656 O PHE A 44 2.587 7.449 -11.244 1.00 1.00 O ATOM 657 CB PHE A 44 2.572 9.529 -13.035 1.00 1.00 C ATOM 658 CG PHE A 44 2.442 10.635 -14.083 1.00 1.00 C ATOM 659 CD1 PHE A 44 2.717 10.372 -15.389 1.00 1.00 C ATOM 660 CD2 PHE A 44 2.052 11.883 -13.709 1.00 1.00 C ATOM 661 CE1 PHE A 44 2.596 11.400 -16.361 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.931 12.911 -14.681 1.00 1.00 C ATOM 663 CZ PHE A 44 2.206 12.648 -15.987 1.00 1.00 C ATOM 0 H PHE A 44 -0.247 8.911 -14.181 1.00 1.00 H new ATOM 0 HA PHE A 44 1.697 7.782 -14.013 1.00 1.00 H new ATOM 0 HB2 PHE A 44 2.507 9.974 -12.042 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.561 9.078 -13.118 1.00 1.00 H new ATOM 0 HD1 PHE A 44 3.027 9.381 -15.687 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.834 12.092 -12.672 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.814 11.191 -17.398 1.00 1.00 H new ATOM 0 HE2 PHE A 44 1.621 13.902 -14.383 1.00 1.00 H new ATOM 0 HZ PHE A 44 2.115 13.430 -16.726 1.00 1.00 H new ATOM 673 N ALA A 45 0.401 6.981 -11.584 1.00 1.00 N ATOM 674 CA ALA A 45 0.344 5.919 -10.594 1.00 1.00 C ATOM 675 C ALA A 45 -1.003 5.202 -10.697 1.00 1.00 C ATOM 676 O ALA A 45 -1.922 5.692 -11.350 1.00 1.00 O ATOM 677 CB ALA A 45 0.588 6.505 -9.202 1.00 1.00 C ATOM 0 H ALA A 45 -0.498 7.223 -12.002 1.00 1.00 H new ATOM 0 HA ALA A 45 1.124 5.181 -10.778 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.545 5.708 -8.459 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.570 6.976 -9.173 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.178 7.249 -8.981 1.00 1.00 H new ATOM 683 N CYS A 46 -1.077 4.052 -10.043 1.00 1.00 N ATOM 684 CA CYS A 46 -2.138 3.100 -10.323 1.00 1.00 C ATOM 685 C CYS A 46 -3.082 3.065 -9.119 1.00 1.00 C ATOM 686 O CYS A 46 -2.739 2.520 -8.072 1.00 1.00 O ATOM 687 CB CYS A 46 -1.581 1.713 -10.651 1.00 1.00 C ATOM 688 SG CYS A 46 -2.767 0.337 -10.428 1.00 1.00 S ATOM 0 H CYS A 46 -0.420 3.758 -9.320 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.690 3.417 -11.208 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -1.234 1.711 -11.684 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -0.710 1.529 -10.022 1.00 1.00 H new ATOM 693 N TRP A 47 -4.253 3.655 -9.309 1.00 1.00 N ATOM 694 CA TRP A 47 -5.309 3.562 -8.315 1.00 1.00 C ATOM 695 C TRP A 47 -6.068 2.256 -8.555 1.00 1.00 C ATOM 696 O TRP A 47 -6.622 2.043 -9.632 1.00 1.00 O ATOM 697 CB TRP A 47 -6.213 4.795 -8.357 1.00 1.00 C ATOM 698 CG TRP A 47 -7.364 4.757 -7.349 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.472 4.006 -7.392 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.475 5.539 -6.141 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.287 4.244 -6.303 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.661 5.207 -5.519 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.603 6.495 -5.593 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -9.083 5.782 -4.315 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -7.039 7.062 -4.389 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.229 6.738 -3.750 1.00 1.00 C ATOM 0 H TRP A 47 -4.494 4.200 -10.137 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.891 3.543 -7.309 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.609 5.683 -8.170 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.626 4.896 -9.361 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.699 3.303 -8.179 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -10.183 3.796 -6.109 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.671 6.771 -6.063 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -10.016 5.504 -3.847 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.405 7.803 -3.925 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.495 7.221 -2.821 1.00 1.00 H new ATOM 717 N CYS A 48 -6.070 1.413 -7.532 1.00 1.00 N ATOM 718 CA CYS A 48 -6.779 0.147 -7.606 1.00 1.00 C ATOM 719 C CYS A 48 -7.971 0.208 -6.649 1.00 1.00 C ATOM 720 O CYS A 48 -7.883 0.808 -5.580 1.00 1.00 O ATOM 721 CB CYS A 48 -5.859 -1.037 -7.297 1.00 1.00 C ATOM 722 SG CYS A 48 -4.650 -1.433 -8.612 1.00 1.00 S ATOM 0 H CYS A 48 -5.592 1.582 -6.647 1.00 1.00 H new ATOM 0 HA CYS A 48 -7.138 -0.013 -8.623 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.316 -0.826 -6.375 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.474 -1.918 -7.111 1.00 1.00 H new ATOM 727 N THR A 49 -9.059 -0.422 -7.069 1.00 1.00 N ATOM 728 CA THR A 49 -10.370 -0.086 -6.540 1.00 1.00 C ATOM 729 C THR A 49 -11.244 -1.337 -6.448 1.00 1.00 C ATOM 730 O THR A 49 -12.366 -1.353 -6.950 1.00 1.00 O ATOM 731 CB THR A 49 -10.968 1.010 -7.424 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.348 1.031 -7.065 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.975 0.630 -8.906 1.00 1.00 C ATOM 0 H THR A 49 -9.059 -1.163 -7.770 1.00 1.00 H new ATOM 0 HA THR A 49 -10.300 0.298 -5.522 1.00 1.00 H new ATOM 0 HB THR A 49 -10.403 1.933 -7.289 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.804 0.265 -7.473 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.410 1.443 -9.488 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.953 0.450 -9.240 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.567 -0.274 -9.047 1.00 1.00 H new ATOM 741 N HIS A 50 -10.697 -2.356 -5.801 1.00 1.00 N ATOM 742 CA HIS A 50 -11.518 -3.302 -5.062 1.00 1.00 C ATOM 743 C HIS A 50 -10.650 -4.056 -4.053 1.00 1.00 C ATOM 744 O HIS A 50 -10.378 -5.243 -4.229 1.00 1.00 O ATOM 745 CB HIS A 50 -12.265 -4.234 -6.018 1.00 1.00 C ATOM 746 CG HIS A 50 -13.630 -3.733 -6.424 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.621 -3.430 -5.506 1.00 1.00 N ATOM 748 CD2 HIS A 50 -14.157 -3.485 -7.657 1.00 1.00 C ATOM 749 CE1 HIS A 50 -15.692 -3.019 -6.169 1.00 1.00 C ATOM 750 NE2 HIS A 50 -15.403 -3.055 -7.501 1.00 1.00 N ATOM 0 H HIS A 50 -9.696 -2.548 -5.773 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.282 -2.766 -4.500 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.661 -4.378 -6.914 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -12.373 -5.211 -5.546 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -13.647 -3.616 -8.600 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -16.630 -2.710 -5.731 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -16.040 -2.794 -8.254 1.00 1.00 H new ATOM 758 N LEU A 51 -10.239 -3.337 -3.019 1.00 1.00 N ATOM 759 CA LEU A 51 -9.128 -3.779 -2.194 1.00 1.00 C ATOM 760 C LEU A 51 -9.641 -4.106 -0.790 1.00 1.00 C ATOM 761 O LEU A 51 -10.698 -3.624 -0.383 1.00 1.00 O ATOM 762 CB LEU A 51 -8.002 -2.744 -2.211 1.00 1.00 C ATOM 763 CG LEU A 51 -7.491 -2.332 -3.592 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.428 -1.237 -3.480 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.984 -3.545 -4.375 1.00 1.00 C ATOM 0 H LEU A 51 -10.656 -2.451 -2.734 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.694 -4.694 -2.598 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.349 -1.850 -1.692 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.163 -3.139 -1.638 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.326 -1.913 -4.153 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.082 -0.963 -4.476 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.857 -0.362 -2.991 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.587 -1.605 -2.892 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.627 -3.223 -5.353 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.168 -4.016 -3.827 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.796 -4.261 -4.503 1.00 1.00 H new ATOM 777 N TYR A 52 -8.870 -4.924 -0.088 1.00 1.00 N ATOM 778 CA TYR A 52 -9.168 -5.224 1.301 1.00 1.00 C ATOM 779 C TYR A 52 -8.152 -4.563 2.235 1.00 1.00 C ATOM 780 O TYR A 52 -7.188 -3.952 1.776 1.00 1.00 O ATOM 781 CB TYR A 52 -9.054 -6.744 1.439 1.00 1.00 C ATOM 782 CG TYR A 52 -8.264 -7.413 0.312 1.00 1.00 C ATOM 783 CD1 TYR A 52 -8.894 -7.744 -0.871 1.00 1.00 C ATOM 784 CD2 TYR A 52 -6.921 -7.685 0.478 1.00 1.00 C ATOM 785 CE1 TYR A 52 -8.150 -8.373 -1.931 1.00 1.00 C ATOM 786 CE2 TYR A 52 -6.177 -8.314 -0.583 1.00 1.00 C ATOM 787 CZ TYR A 52 -6.828 -8.627 -1.736 1.00 1.00 C ATOM 788 OH TYR A 52 -6.126 -9.221 -2.737 1.00 1.00 O ATOM 0 H TYR A 52 -8.039 -5.388 -0.456 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.157 -4.852 1.569 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.578 -6.978 2.391 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.056 -7.172 1.470 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -9.945 -7.531 -1.001 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -6.428 -7.426 1.403 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -8.631 -8.637 -2.861 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -5.126 -8.532 -0.466 1.00 1.00 H new ATOM 0 HH TYR A 52 -6.376 -8.819 -3.595 1.00 1.00 H new ATOM 798 N GLU A 53 -8.402 -4.708 3.528 1.00 1.00 N ATOM 799 CA GLU A 53 -7.534 -4.113 4.529 1.00 1.00 C ATOM 800 C GLU A 53 -6.075 -4.484 4.255 1.00 1.00 C ATOM 801 O GLU A 53 -5.179 -3.659 4.426 1.00 1.00 O ATOM 802 CB GLU A 53 -7.952 -4.537 5.939 1.00 1.00 C ATOM 803 CG GLU A 53 -6.899 -4.127 6.970 1.00 1.00 C ATOM 804 CD GLU A 53 -6.563 -2.639 6.849 1.00 1.00 C ATOM 805 OE1 GLU A 53 -7.493 -1.873 6.515 1.00 1.00 O ATOM 806 OE2 GLU A 53 -5.384 -2.301 7.092 1.00 1.00 O ATOM 0 H GLU A 53 -9.194 -5.229 3.905 1.00 1.00 H new ATOM 0 HA GLU A 53 -7.631 -3.029 4.467 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -8.909 -4.081 6.191 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.095 -5.617 5.970 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -7.266 -4.340 7.974 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -5.996 -4.720 6.828 1.00 1.00 H new ATOM 813 N GLN A 54 -5.883 -5.726 3.834 1.00 1.00 N ATOM 814 CA GLN A 54 -4.549 -6.300 3.785 1.00 1.00 C ATOM 815 C GLN A 54 -3.851 -5.912 2.480 1.00 1.00 C ATOM 816 O GLN A 54 -2.694 -6.268 2.261 1.00 1.00 O ATOM 817 CB GLN A 54 -4.602 -7.821 3.948 1.00 1.00 C ATOM 818 CG GLN A 54 -4.871 -8.208 5.403 1.00 1.00 C ATOM 819 CD GLN A 54 -3.679 -7.853 6.294 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.547 -8.230 6.039 1.00 1.00 O ATOM 821 NE2 GLN A 54 -3.996 -7.110 7.351 1.00 1.00 N ATOM 0 H GLN A 54 -6.628 -6.350 3.524 1.00 1.00 H new ATOM 0 HA GLN A 54 -3.970 -5.898 4.616 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.383 -8.232 3.308 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.659 -8.258 3.620 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -5.763 -7.694 5.761 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -5.072 -9.277 5.467 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -4.964 -6.829 7.505 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.271 -6.821 8.007 1.00 1.00 H new ATOM 830 N ALA A 55 -4.584 -5.189 1.647 1.00 1.00 N ATOM 831 CA ALA A 55 -4.005 -4.620 0.441 1.00 1.00 C ATOM 832 C ALA A 55 -3.622 -3.162 0.704 1.00 1.00 C ATOM 833 O ALA A 55 -4.487 -2.326 0.965 1.00 1.00 O ATOM 834 CB ALA A 55 -4.995 -4.763 -0.717 1.00 1.00 C ATOM 0 H ALA A 55 -5.574 -4.984 1.783 1.00 1.00 H new ATOM 0 HA ALA A 55 -3.097 -5.154 0.162 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -4.561 -4.336 -1.621 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -5.212 -5.818 -0.882 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -5.918 -4.236 -0.474 1.00 1.00 H new ATOM 840 N ILE A 56 -2.325 -2.901 0.627 1.00 1.00 N ATOM 841 CA ILE A 56 -1.763 -1.715 1.250 1.00 1.00 C ATOM 842 C ILE A 56 -1.585 -0.624 0.193 1.00 1.00 C ATOM 843 O ILE A 56 -1.374 -0.922 -0.982 1.00 1.00 O ATOM 844 CB ILE A 56 -0.473 -2.064 1.996 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.646 -3.340 2.822 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.000 -0.887 2.852 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.759 -3.176 3.859 1.00 1.00 C ATOM 0 H ILE A 56 -1.648 -3.490 0.143 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.445 -1.321 2.003 1.00 1.00 H new ATOM 0 HB ILE A 56 0.306 -2.260 1.259 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -0.879 -4.176 2.162 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.291 -3.582 3.324 1.00 1.00 H new ATOM 0 HG21 ILE A 56 0.918 -1.161 3.372 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.188 -0.025 2.213 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.769 -0.636 3.582 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.861 -4.097 4.432 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -1.511 -2.355 4.532 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.699 -2.958 3.352 1.00 1.00 H new ATOM 859 N VAL A 57 -1.678 0.617 0.647 1.00 1.00 N ATOM 860 CA VAL A 57 -1.659 1.750 -0.261 1.00 1.00 C ATOM 861 C VAL A 57 -0.641 2.780 0.234 1.00 1.00 C ATOM 862 O VAL A 57 -0.354 2.849 1.429 1.00 1.00 O ATOM 863 CB VAL A 57 -3.069 2.328 -0.408 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.965 1.885 0.752 1.00 1.00 C ATOM 865 CG2 VAL A 57 -3.028 3.853 -0.517 1.00 1.00 C ATOM 0 H VAL A 57 -1.767 0.863 1.633 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.345 1.435 -1.256 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.497 1.938 -1.331 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.961 2.309 0.625 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -4.032 0.797 0.765 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.540 2.233 1.693 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -4.043 4.238 -0.621 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -2.572 4.270 0.381 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.440 4.140 -1.389 1.00 1.00 H new ATOM 875 N TRP A 58 -0.121 3.552 -0.708 1.00 1.00 N ATOM 876 CA TRP A 58 0.989 4.443 -0.418 1.00 1.00 C ATOM 877 C TRP A 58 0.607 5.294 0.794 1.00 1.00 C ATOM 878 O TRP A 58 -0.573 5.433 1.114 1.00 1.00 O ATOM 879 CB TRP A 58 1.356 5.281 -1.645 1.00 1.00 C ATOM 880 CG TRP A 58 2.664 6.059 -1.499 1.00 1.00 C ATOM 881 CD1 TRP A 58 3.917 5.593 -1.600 1.00 1.00 C ATOM 882 CD2 TRP A 58 2.800 7.469 -1.220 1.00 1.00 C ATOM 883 NE1 TRP A 58 4.846 6.595 -1.407 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.146 7.771 -1.168 1.00 1.00 C ATOM 885 CE3 TRP A 58 1.819 8.454 -1.017 1.00 1.00 C ATOM 886 CZ2 TRP A 58 4.632 9.060 -0.915 1.00 1.00 C ATOM 887 CZ3 TRP A 58 2.321 9.736 -0.765 1.00 1.00 C ATOM 888 CH2 TRP A 58 3.673 10.059 -0.710 1.00 1.00 C ATOM 0 H TRP A 58 -0.448 3.579 -1.674 1.00 1.00 H new ATOM 0 HA TRP A 58 1.887 3.874 -0.176 1.00 1.00 H new ATOM 0 HB2 TRP A 58 1.431 4.624 -2.512 1.00 1.00 H new ATOM 0 HB3 TRP A 58 0.548 5.984 -1.847 1.00 1.00 H new ATOM 0 HD1 TRP A 58 4.168 4.563 -1.806 1.00 1.00 H new ATOM 0 HE1 TRP A 58 5.860 6.491 -1.435 1.00 1.00 H new ATOM 0 HE3 TRP A 58 0.761 8.239 -1.053 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 5.690 9.272 -0.880 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 1.608 10.531 -0.602 1.00 1.00 H new ATOM 0 HH2 TRP A 58 3.981 11.075 -0.510 1.00 1.00 H new ATOM 899 N PRO A 59 1.654 5.858 1.455 1.00 1.00 N ATOM 900 CA PRO A 59 2.958 5.216 1.474 1.00 1.00 C ATOM 901 C PRO A 59 2.964 4.015 2.420 1.00 1.00 C ATOM 902 O PRO A 59 1.911 3.589 2.895 1.00 1.00 O ATOM 903 CB PRO A 59 3.927 6.310 1.897 1.00 1.00 C ATOM 904 CG PRO A 59 3.078 7.391 2.544 1.00 1.00 C ATOM 905 CD PRO A 59 1.625 7.115 2.197 1.00 1.00 C ATOM 0 HA PRO A 59 3.239 4.804 0.505 1.00 1.00 H new ATOM 0 HB2 PRO A 59 4.669 5.925 2.597 1.00 1.00 H new ATOM 0 HB3 PRO A 59 4.472 6.703 1.038 1.00 1.00 H new ATOM 0 HG2 PRO A 59 3.219 7.390 3.625 1.00 1.00 H new ATOM 0 HG3 PRO A 59 3.376 8.376 2.184 1.00 1.00 H new ATOM 0 HD2 PRO A 59 1.012 7.031 3.095 1.00 1.00 H new ATOM 0 HD3 PRO A 59 1.201 7.920 1.596 1.00 1.00 H new ATOM 913 N LEU A 60 4.160 3.502 2.668 1.00 1.00 N ATOM 914 CA LEU A 60 4.435 2.809 3.915 1.00 1.00 C ATOM 915 C LEU A 60 5.260 3.717 4.828 1.00 1.00 C ATOM 916 O LEU A 60 5.857 4.688 4.366 1.00 1.00 O ATOM 917 CB LEU A 60 5.089 1.453 3.642 1.00 1.00 C ATOM 918 CG LEU A 60 4.878 0.877 2.240 1.00 1.00 C ATOM 919 CD1 LEU A 60 6.102 1.125 1.355 1.00 1.00 C ATOM 920 CD2 LEU A 60 4.511 -0.607 2.306 1.00 1.00 C ATOM 0 H LEU A 60 4.951 3.553 2.026 1.00 1.00 H new ATOM 0 HA LEU A 60 3.506 2.589 4.440 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.161 1.547 3.817 1.00 1.00 H new ATOM 0 HB3 LEU A 60 4.709 0.735 4.369 1.00 1.00 H new ATOM 0 HG LEU A 60 4.037 1.397 1.781 1.00 1.00 H new ATOM 0 HD11 LEU A 60 5.926 0.706 0.364 1.00 1.00 H new ATOM 0 HD12 LEU A 60 6.278 2.197 1.269 1.00 1.00 H new ATOM 0 HD13 LEU A 60 6.975 0.649 1.800 1.00 1.00 H new ATOM 0 HD21 LEU A 60 4.367 -0.991 1.296 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.315 -1.159 2.793 1.00 1.00 H new ATOM 0 HD23 LEU A 60 3.590 -0.729 2.876 1.00 1.00 H new ATOM 932 N PRO A 61 5.267 3.361 6.139 1.00 1.00 N ATOM 933 CA PRO A 61 5.713 4.288 7.165 1.00 1.00 C ATOM 934 C PRO A 61 7.237 4.424 7.157 1.00 1.00 C ATOM 935 O PRO A 61 7.766 5.529 7.052 1.00 1.00 O ATOM 936 CB PRO A 61 5.173 3.724 8.469 1.00 1.00 C ATOM 937 CG PRO A 61 4.846 2.266 8.187 1.00 1.00 C ATOM 938 CD PRO A 61 4.852 2.069 6.680 1.00 1.00 C ATOM 0 HA PRO A 61 5.345 5.301 7.004 1.00 1.00 H new ATOM 0 HB2 PRO A 61 5.910 3.812 9.268 1.00 1.00 H new ATOM 0 HB3 PRO A 61 4.286 4.268 8.792 1.00 1.00 H new ATOM 0 HG2 PRO A 61 5.579 1.612 8.660 1.00 1.00 H new ATOM 0 HG3 PRO A 61 3.872 2.006 8.602 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.541 1.277 6.387 1.00 1.00 H new ATOM 0 HD3 PRO A 61 3.865 1.785 6.314 1.00 1.00 H new ATOM 946 N ASN A 62 7.900 3.283 7.272 1.00 1.00 N ATOM 947 CA ASN A 62 9.323 3.270 7.567 1.00 1.00 C ATOM 948 C ASN A 62 10.111 3.227 6.257 1.00 1.00 C ATOM 949 O ASN A 62 11.340 3.180 6.269 1.00 1.00 O ATOM 950 CB ASN A 62 9.704 2.038 8.390 1.00 1.00 C ATOM 951 CG ASN A 62 9.392 0.750 7.625 1.00 1.00 C ATOM 952 OD1 ASN A 62 8.434 0.660 6.874 1.00 1.00 O ATOM 953 ND2 ASN A 62 10.250 -0.239 7.856 1.00 1.00 N ATOM 0 H ASN A 62 7.478 2.360 7.166 1.00 1.00 H new ATOM 0 HA ASN A 62 9.557 4.170 8.136 1.00 1.00 H new ATOM 0 HB2 ASN A 62 10.766 2.073 8.633 1.00 1.00 H new ATOM 0 HB3 ASN A 62 9.160 2.045 9.335 1.00 1.00 H new ATOM 0 HD21 ASN A 62 10.127 -1.139 7.393 1.00 1.00 H new ATOM 0 HD22 ASN A 62 11.031 -0.097 8.496 1.00 1.00 H new ATOM 960 N LYS A 63 9.372 3.242 5.158 1.00 1.00 N ATOM 961 CA LYS A 63 9.987 3.252 3.841 1.00 1.00 C ATOM 962 C LYS A 63 8.945 3.661 2.798 1.00 1.00 C ATOM 963 O LYS A 63 7.904 3.019 2.672 1.00 1.00 O ATOM 964 CB LYS A 63 10.651 1.904 3.551 1.00 1.00 C ATOM 965 CG LYS A 63 9.605 0.796 3.410 1.00 1.00 C ATOM 966 CD LYS A 63 10.248 -0.585 3.548 1.00 1.00 C ATOM 967 CE LYS A 63 10.986 -0.977 2.266 1.00 1.00 C ATOM 968 NZ LYS A 63 10.031 -1.470 1.248 1.00 1.00 N ATOM 0 H LYS A 63 8.352 3.247 5.152 1.00 1.00 H new ATOM 0 HA LYS A 63 10.786 3.992 3.799 1.00 1.00 H new ATOM 0 HB2 LYS A 63 11.238 1.973 2.635 1.00 1.00 H new ATOM 0 HB3 LYS A 63 11.343 1.655 4.355 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.834 0.920 4.170 1.00 1.00 H new ATOM 0 HG3 LYS A 63 9.113 0.877 2.441 1.00 1.00 H new ATOM 0 HD2 LYS A 63 10.944 -0.584 4.387 1.00 1.00 H new ATOM 0 HD3 LYS A 63 9.481 -1.327 3.772 1.00 1.00 H new ATOM 0 HE2 LYS A 63 11.531 -0.117 1.876 1.00 1.00 H new ATOM 0 HE3 LYS A 63 11.723 -1.749 2.485 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 10.473 -1.426 0.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 9.771 -2.454 1.463 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 9.177 -0.877 1.257 1.00 1.00 H new ATOM 982 N ARG A 64 9.262 4.727 2.079 1.00 1.00 N ATOM 983 CA ARG A 64 8.369 5.226 1.046 1.00 1.00 C ATOM 984 C ARG A 64 9.131 5.421 -0.266 1.00 1.00 C ATOM 985 O ARG A 64 10.331 5.687 -0.257 1.00 1.00 O ATOM 986 CB ARG A 64 7.734 6.554 1.463 1.00 1.00 C ATOM 987 CG ARG A 64 8.776 7.489 2.083 1.00 1.00 C ATOM 988 CD ARG A 64 8.783 7.366 3.608 1.00 1.00 C ATOM 989 NE ARG A 64 9.925 8.122 4.170 1.00 1.00 N ATOM 990 CZ ARG A 64 10.301 8.068 5.456 1.00 1.00 C ATOM 991 NH1 ARG A 64 9.599 7.334 6.329 1.00 1.00 N ATOM 992 NH2 ARG A 64 11.378 8.750 5.867 1.00 1.00 N ATOM 0 H ARG A 64 10.125 5.260 2.191 1.00 1.00 H new ATOM 0 HA ARG A 64 7.580 4.488 0.904 1.00 1.00 H new ATOM 0 HB2 ARG A 64 7.281 7.033 0.595 1.00 1.00 H new ATOM 0 HB3 ARG A 64 6.934 6.369 2.179 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.764 7.250 1.691 1.00 1.00 H new ATOM 0 HG3 ARG A 64 8.561 8.519 1.798 1.00 1.00 H new ATOM 0 HD2 ARG A 64 7.847 7.747 4.016 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.853 6.317 3.897 1.00 1.00 H new ATOM 0 HE ARG A 64 10.459 8.721 3.540 1.00 1.00 H new ATOM 0 HH11 ARG A 64 8.778 6.816 6.016 1.00 1.00 H new ATOM 0 HH12 ARG A 64 9.885 7.293 7.307 1.00 1.00 H new ATOM 0 HH21 ARG A 64 11.911 9.310 5.202 1.00 1.00 H new ATOM 0 HH22 ARG A 64 11.665 8.709 6.845 1.00 1.00 H new ATOM 1006 N CYS A 65 8.401 5.282 -1.362 1.00 1.00 N ATOM 1007 CA CYS A 65 8.918 5.679 -2.661 1.00 1.00 C ATOM 1008 C CYS A 65 9.345 7.147 -2.580 1.00 1.00 C ATOM 1009 O CYS A 65 8.694 7.950 -1.912 1.00 1.00 O ATOM 1010 CB CYS A 65 7.896 5.443 -3.774 1.00 1.00 C ATOM 1011 SG CYS A 65 8.583 5.488 -5.470 1.00 1.00 S ATOM 0 H CYS A 65 7.455 4.900 -1.378 1.00 1.00 H new ATOM 0 HA CYS A 65 9.781 5.063 -2.915 1.00 1.00 H new ATOM 0 HB2 CYS A 65 7.423 4.474 -3.614 1.00 1.00 H new ATOM 0 HB3 CYS A 65 7.113 6.197 -3.694 1.00 1.00 H new ATOM 1016 N SER A 66 10.436 7.452 -3.268 1.00 1.00 N ATOM 1017 CA SER A 66 10.945 8.812 -3.298 1.00 1.00 C ATOM 1018 C SER A 66 9.986 9.713 -4.078 1.00 1.00 C ATOM 1019 O SER A 66 9.723 10.845 -3.673 1.00 1.00 O ATOM 1020 CB SER A 66 12.344 8.863 -3.917 1.00 1.00 C ATOM 1021 OG SER A 66 12.362 8.330 -5.238 1.00 1.00 O ATOM 0 H SER A 66 10.981 6.780 -3.809 1.00 1.00 H new ATOM 0 HA SER A 66 11.018 9.173 -2.272 1.00 1.00 H new ATOM 0 HB2 SER A 66 12.694 9.895 -3.938 1.00 1.00 H new ATOM 0 HB3 SER A 66 13.038 8.303 -3.291 1.00 1.00 H new ATOM 0 HG SER A 66 11.473 8.423 -5.640 1.00 1.00 H new HETATM 1027 N NH2 A 67 9.488 9.178 -5.184 1.00 1.00 N TER 1030 NH2 A 67