USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= 1.18 K(o=1.2,f=-1.2!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 35 HIS : no HD1:sc= -0.576 K(o=0.65,f=-5.7!) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 1.23 F(o=0.067,f=0.65) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 172:sc= -1.11 (180deg=-1.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.415 K(o=-0.41,f=-9.8!) USER MOD Single : A 14 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.32) USER MOD Single : A 15 THR OG1 : rot -77:sc= 1.21 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00262) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.31) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 174:sc= 0 (180deg=-0.0635) USER MOD Single : A 39 THR OG1 : rot 44:sc= 0.43 USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0178) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -130:sc= 0.375 USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.115 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 65 MET CE :methyl -178:sc= 0 (180deg=-0.00991) USER MOD Single : A 70 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.36) USER MOD Single : A 71 THR OG1 : rot -120:sc= -0.0384 USER MOD Single : A 76 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot 67:sc= 0.787 USER MOD Single : A 80 TYR OH : rot -61:sc= 0.907 USER MOD Single : A 83 SER OG : rot -100:sc= 0.802 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.610 -3.141 -7.392 1.00 0.00 N ATOM 27 CA TYR A 4 8.643 -2.843 -5.972 1.00 0.00 C ATOM 28 C TYR A 4 7.224 -2.524 -5.521 1.00 0.00 C ATOM 29 O TYR A 4 6.303 -2.488 -6.337 1.00 0.00 O ATOM 30 CB TYR A 4 9.577 -1.655 -5.686 1.00 0.00 C ATOM 31 CG TYR A 4 9.409 -0.470 -6.618 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.405 0.488 -6.385 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.277 -0.318 -7.712 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.282 1.598 -7.238 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.161 0.799 -8.556 1.00 0.00 C ATOM 36 CZ TYR A 4 9.145 1.745 -8.335 1.00 0.00 C ATOM 37 OH TYR A 4 8.984 2.790 -9.196 1.00 0.00 O ATOM 0 HA TYR A 4 9.027 -3.702 -5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.411 -1.320 -4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.609 -2.001 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.729 0.370 -5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.036 -1.062 -7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.521 2.340 -7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.853 0.931 -9.375 1.00 0.00 H new ATOM 0 HH TYR A 4 9.666 2.743 -9.899 1.00 0.00 H new ATOM 47 N LEU A 5 7.059 -2.243 -4.236 1.00 0.00 N ATOM 48 CA LEU A 5 5.830 -1.740 -3.661 1.00 0.00 C ATOM 49 C LEU A 5 6.235 -0.881 -2.472 1.00 0.00 C ATOM 50 O LEU A 5 6.443 -1.387 -1.371 1.00 0.00 O ATOM 51 CB LEU A 5 4.906 -2.912 -3.312 1.00 0.00 C ATOM 52 CG LEU A 5 3.492 -2.454 -2.919 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.480 -3.542 -3.284 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.399 -2.103 -1.429 1.00 0.00 C ATOM 0 H LEU A 5 7.802 -2.364 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 5 5.253 -1.123 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.841 -3.586 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.341 -3.481 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 5 3.262 -1.545 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.478 -3.216 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.515 -3.726 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.724 -4.460 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.384 -1.784 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.652 -2.979 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.095 -1.296 -1.201 1.00 0.00 H new ATOM 66 N ILE A 6 6.412 0.410 -2.736 1.00 0.00 N ATOM 67 CA ILE A 6 6.784 1.417 -1.759 1.00 0.00 C ATOM 68 C ILE A 6 5.550 2.284 -1.522 1.00 0.00 C ATOM 69 O ILE A 6 4.776 2.517 -2.458 1.00 0.00 O ATOM 70 CB ILE A 6 7.998 2.219 -2.270 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.695 2.991 -3.567 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.196 1.280 -2.480 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.945 3.575 -4.226 1.00 0.00 C ATOM 0 H ILE A 6 6.295 0.794 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 6 7.094 0.977 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 6 8.239 2.960 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.199 2.324 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.997 3.799 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.049 1.854 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.454 0.802 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.936 0.517 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.663 4.106 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.430 4.267 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.635 2.769 -4.476 1.00 0.00 H new ATOM 85 N MET A 7 5.337 2.755 -0.295 1.00 0.00 N ATOM 86 CA MET A 7 4.476 3.906 -0.114 1.00 0.00 C ATOM 87 C MET A 7 5.301 5.130 -0.492 1.00 0.00 C ATOM 88 O MET A 7 6.445 5.275 -0.059 1.00 0.00 O ATOM 89 CB MET A 7 3.848 3.980 1.283 1.00 0.00 C ATOM 90 CG MET A 7 4.811 3.864 2.469 1.00 0.00 C ATOM 91 SD MET A 7 4.117 4.425 4.045 1.00 0.00 S ATOM 92 CE MET A 7 2.590 3.466 4.081 1.00 0.00 C ATOM 0 H MET A 7 5.737 2.368 0.560 1.00 0.00 H new ATOM 0 HA MET A 7 3.602 3.837 -0.762 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.314 4.926 1.368 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.106 3.186 1.367 1.00 0.00 H new ATOM 0 HG2 MET A 7 5.121 2.824 2.571 1.00 0.00 H new ATOM 0 HG3 MET A 7 5.708 4.444 2.253 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.109 3.584 5.052 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.919 3.820 3.298 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.818 2.413 3.915 1.00 0.00 H new ATOM 102 N CYS A 8 4.738 5.997 -1.324 1.00 0.00 N ATOM 103 CA CYS A 8 5.313 7.297 -1.593 1.00 0.00 C ATOM 104 C CYS A 8 4.496 8.280 -0.808 1.00 0.00 C ATOM 105 O CYS A 8 3.337 8.021 -0.478 1.00 0.00 O ATOM 106 CB CYS A 8 5.259 7.676 -3.066 1.00 0.00 C ATOM 107 SG CYS A 8 6.405 6.778 -4.117 1.00 0.00 S ATOM 0 H CYS A 8 3.871 5.813 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 8 6.367 7.291 -1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.246 7.510 -3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.462 8.743 -3.160 1.00 0.00 H new ATOM 112 N LYS A 9 5.083 9.428 -0.500 1.00 0.00 N ATOM 113 CA LYS A 9 4.300 10.402 0.218 1.00 0.00 C ATOM 114 C LYS A 9 3.161 10.895 -0.700 1.00 0.00 C ATOM 115 O LYS A 9 2.037 11.122 -0.260 1.00 0.00 O ATOM 116 CB LYS A 9 5.208 11.509 0.754 1.00 0.00 C ATOM 117 CG LYS A 9 5.246 12.729 -0.152 1.00 0.00 C ATOM 118 CD LYS A 9 6.181 13.780 0.441 1.00 0.00 C ATOM 119 CE LYS A 9 5.710 15.171 -0.010 1.00 0.00 C ATOM 120 NZ LYS A 9 6.438 16.277 0.641 1.00 0.00 N ATOM 0 H LYS A 9 6.043 9.692 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 9 3.827 9.966 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.864 11.808 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.219 11.118 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.587 12.445 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.244 13.142 -0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.180 13.715 1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.205 13.603 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.829 15.254 -1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.646 15.272 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.072 17.186 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.305 16.222 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.451 16.204 0.419 1.00 0.00 H new ATOM 134 N ASN A 10 3.496 11.081 -1.981 1.00 0.00 N ATOM 135 CA ASN A 10 2.659 11.644 -3.039 1.00 0.00 C ATOM 136 C ASN A 10 2.742 10.733 -4.259 1.00 0.00 C ATOM 137 O ASN A 10 3.236 9.616 -4.154 1.00 0.00 O ATOM 138 CB ASN A 10 3.037 13.098 -3.371 1.00 0.00 C ATOM 139 CG ASN A 10 4.338 13.253 -4.139 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.100 12.305 -4.258 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.600 14.445 -4.664 1.00 0.00 N ATOM 0 H ASN A 10 4.421 10.824 -2.326 1.00 0.00 H new ATOM 0 HA ASN A 10 1.626 11.688 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.231 13.545 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.110 13.662 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.462 14.593 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.939 15.212 -4.543 1.00 0.00 H new ATOM 148 N CYS A 11 2.295 11.186 -5.427 1.00 0.00 N ATOM 149 CA CYS A 11 2.254 10.336 -6.621 1.00 0.00 C ATOM 150 C CYS A 11 3.598 10.275 -7.345 1.00 0.00 C ATOM 151 O CYS A 11 3.705 9.676 -8.416 1.00 0.00 O ATOM 152 CB CYS A 11 1.187 10.885 -7.571 1.00 0.00 C ATOM 153 SG CYS A 11 0.729 9.854 -8.986 1.00 0.00 S ATOM 0 H CYS A 11 1.955 12.136 -5.576 1.00 0.00 H new ATOM 0 HA CYS A 11 2.016 9.321 -6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.286 11.080 -6.990 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.535 11.845 -7.951 1.00 0.00 H new ATOM 158 N ASP A 12 4.631 10.908 -6.789 1.00 0.00 N ATOM 159 CA ASP A 12 5.911 11.093 -7.461 1.00 0.00 C ATOM 160 C ASP A 12 6.971 10.169 -6.845 1.00 0.00 C ATOM 161 O ASP A 12 7.326 10.353 -5.679 1.00 0.00 O ATOM 162 CB ASP A 12 6.317 12.567 -7.353 1.00 0.00 C ATOM 163 CG ASP A 12 7.509 12.881 -8.224 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.396 12.025 -8.397 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.593 14.023 -8.706 1.00 0.00 O ATOM 0 H ASP A 12 4.600 11.309 -5.852 1.00 0.00 H new ATOM 0 HA ASP A 12 5.824 10.830 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.477 13.198 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.551 12.805 -6.315 1.00 0.00 H new ATOM 170 N PRO A 13 7.508 9.176 -7.574 1.00 0.00 N ATOM 171 CA PRO A 13 8.548 8.312 -7.038 1.00 0.00 C ATOM 172 C PRO A 13 9.803 9.107 -6.669 1.00 0.00 C ATOM 173 O PRO A 13 10.538 8.745 -5.750 1.00 0.00 O ATOM 174 CB PRO A 13 8.843 7.269 -8.120 1.00 0.00 C ATOM 175 CG PRO A 13 8.386 7.943 -9.412 1.00 0.00 C ATOM 176 CD PRO A 13 7.245 8.863 -8.969 1.00 0.00 C ATOM 0 HA PRO A 13 8.219 7.834 -6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.903 7.017 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.300 6.341 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.196 8.507 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.046 7.211 -10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.216 9.769 -9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.279 8.371 -9.084 1.00 0.00 H new ATOM 184 N ASN A 14 10.070 10.173 -7.419 1.00 0.00 N ATOM 185 CA ASN A 14 11.349 10.843 -7.505 1.00 0.00 C ATOM 186 C ASN A 14 11.383 12.107 -6.654 1.00 0.00 C ATOM 187 O ASN A 14 12.290 12.252 -5.839 1.00 0.00 O ATOM 188 CB ASN A 14 11.645 11.083 -8.985 1.00 0.00 C ATOM 189 CG ASN A 14 12.560 12.269 -9.232 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.634 12.380 -8.650 1.00 0.00 O ATOM 191 ND2 ASN A 14 12.130 13.193 -10.074 1.00 0.00 N ATOM 0 H ASN A 14 9.361 10.608 -8.009 1.00 0.00 H new ATOM 0 HA ASN A 14 12.142 10.222 -7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.101 10.187 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.706 11.242 -9.515 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.695 14.023 -10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.233 13.076 -10.545 1.00 0.00 H new ATOM 198 N THR A 15 10.407 13.004 -6.801 1.00 0.00 N ATOM 199 CA THR A 15 10.311 14.197 -5.954 1.00 0.00 C ATOM 200 C THR A 15 9.218 14.065 -4.895 1.00 0.00 C ATOM 201 O THR A 15 8.892 15.036 -4.212 1.00 0.00 O ATOM 202 CB THR A 15 10.181 15.500 -6.765 1.00 0.00 C ATOM 203 OG1 THR A 15 8.869 15.766 -7.205 1.00 0.00 O ATOM 204 CG2 THR A 15 11.079 15.515 -7.993 1.00 0.00 C ATOM 0 H THR A 15 9.669 12.928 -7.501 1.00 0.00 H new ATOM 0 HA THR A 15 11.260 14.267 -5.423 1.00 0.00 H new ATOM 0 HB THR A 15 10.487 16.272 -6.058 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.659 15.194 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.948 16.456 -8.528 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.120 15.415 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.814 14.685 -8.648 1.00 0.00 H new ATOM 212 N GLY A 16 8.705 12.858 -4.674 1.00 0.00 N ATOM 213 CA GLY A 16 7.926 12.570 -3.490 1.00 0.00 C ATOM 214 C GLY A 16 8.910 12.305 -2.371 1.00 0.00 C ATOM 215 O GLY A 16 9.091 13.135 -1.476 1.00 0.00 O ATOM 0 H GLY A 16 8.819 12.066 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.276 13.409 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.283 11.705 -3.652 1.00 0.00 H new ATOM 219 N SER A 17 9.594 11.172 -2.499 1.00 0.00 N ATOM 220 CA SER A 17 10.345 10.456 -1.485 1.00 0.00 C ATOM 221 C SER A 17 9.399 9.410 -0.911 1.00 0.00 C ATOM 222 O SER A 17 8.274 9.716 -0.507 1.00 0.00 O ATOM 223 CB SER A 17 10.998 11.331 -0.414 1.00 0.00 C ATOM 224 OG SER A 17 11.960 10.607 0.343 1.00 0.00 O ATOM 0 H SER A 17 9.638 10.692 -3.398 1.00 0.00 H new ATOM 0 HA SER A 17 11.216 9.993 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.477 12.188 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.230 11.723 0.253 1.00 0.00 H new ATOM 0 HG SER A 17 12.358 11.197 1.016 1.00 0.00 H new ATOM 230 N CYS A 18 9.840 8.166 -1.018 1.00 0.00 N ATOM 231 CA CYS A 18 9.072 6.966 -0.842 1.00 0.00 C ATOM 232 C CYS A 18 9.880 5.983 -0.020 1.00 0.00 C ATOM 233 O CYS A 18 11.106 6.117 0.033 1.00 0.00 O ATOM 234 CB CYS A 18 8.860 6.390 -2.234 1.00 0.00 C ATOM 235 SG CYS A 18 8.261 7.516 -3.516 1.00 0.00 S ATOM 0 H CYS A 18 10.814 7.966 -1.246 1.00 0.00 H new ATOM 0 HA CYS A 18 8.126 7.161 -0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.806 5.967 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.153 5.564 -2.153 1.00 0.00 H new ATOM 240 N ASP A 19 9.228 5.000 0.599 1.00 0.00 N ATOM 241 CA ASP A 19 9.904 4.017 1.420 1.00 0.00 C ATOM 242 C ASP A 19 10.364 2.806 0.622 1.00 0.00 C ATOM 243 O ASP A 19 9.717 1.775 0.493 1.00 0.00 O ATOM 244 CB ASP A 19 9.128 3.698 2.687 1.00 0.00 C ATOM 245 CG ASP A 19 7.966 2.722 2.607 1.00 0.00 C ATOM 246 OD1 ASP A 19 7.368 2.516 1.532 1.00 0.00 O ATOM 247 OD2 ASP A 19 7.630 2.243 3.709 1.00 0.00 O ATOM 0 H ASP A 19 8.218 4.869 0.541 1.00 0.00 H new ATOM 0 HA ASP A 19 10.832 4.466 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.836 3.309 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.743 4.637 3.084 1.00 0.00 H new ATOM 252 N TRP A 20 11.615 2.885 0.200 1.00 0.00 N ATOM 253 CA TRP A 20 12.328 1.781 -0.425 1.00 0.00 C ATOM 254 C TRP A 20 12.889 0.903 0.700 1.00 0.00 C ATOM 255 O TRP A 20 14.075 0.581 0.745 1.00 0.00 O ATOM 256 CB TRP A 20 13.412 2.329 -1.362 1.00 0.00 C ATOM 257 CG TRP A 20 12.949 3.289 -2.420 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.805 4.623 -2.263 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.578 3.018 -3.805 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.379 5.190 -3.443 1.00 0.00 N ATOM 261 CE2 TRP A 20 12.221 4.248 -4.433 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.513 1.855 -4.600 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.814 4.324 -5.774 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.126 1.920 -5.950 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.767 3.147 -6.537 1.00 0.00 C ATOM 0 H TRP A 20 12.175 3.734 0.283 1.00 0.00 H new ATOM 0 HA TRP A 20 11.673 1.170 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.170 2.826 -0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.899 1.486 -1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.996 5.164 -1.348 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.202 6.187 -3.568 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.765 0.899 -4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.541 5.273 -6.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.104 1.018 -6.543 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.456 3.183 -7.571 1.00 0.00 H new ATOM 276 N LYS A 21 11.998 0.543 1.621 1.00 0.00 N ATOM 277 CA LYS A 21 12.208 -0.298 2.784 1.00 0.00 C ATOM 278 C LYS A 21 11.460 -1.607 2.525 1.00 0.00 C ATOM 279 O LYS A 21 10.866 -1.786 1.461 1.00 0.00 O ATOM 280 CB LYS A 21 11.626 0.436 4.006 1.00 0.00 C ATOM 281 CG LYS A 21 12.707 1.070 4.886 1.00 0.00 C ATOM 282 CD LYS A 21 13.638 0.016 5.505 1.00 0.00 C ATOM 283 CE LYS A 21 14.205 0.507 6.840 1.00 0.00 C ATOM 284 NZ LYS A 21 15.018 1.730 6.707 1.00 0.00 N ATOM 0 H LYS A 21 11.031 0.862 1.562 1.00 0.00 H new ATOM 0 HA LYS A 21 13.262 -0.507 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.940 1.211 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.043 -0.266 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.295 1.768 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.235 1.648 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.091 -0.914 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.454 -0.204 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.383 0.698 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.815 -0.281 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.388 2.004 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.811 1.551 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.429 2.499 6.329 1.00 0.00 H new ATOM 298 N GLN A 22 11.450 -2.523 3.494 1.00 0.00 N ATOM 299 CA GLN A 22 10.544 -3.659 3.436 1.00 0.00 C ATOM 300 C GLN A 22 9.130 -3.162 3.693 1.00 0.00 C ATOM 301 O GLN A 22 8.926 -2.280 4.528 1.00 0.00 O ATOM 302 CB GLN A 22 10.907 -4.729 4.470 1.00 0.00 C ATOM 303 CG GLN A 22 10.403 -6.127 4.069 1.00 0.00 C ATOM 304 CD GLN A 22 11.573 -7.048 3.749 1.00 0.00 C ATOM 305 OE1 GLN A 22 12.000 -7.140 2.601 1.00 0.00 O ATOM 306 NE2 GLN A 22 12.124 -7.687 4.770 1.00 0.00 N ATOM 0 H GLN A 22 12.053 -2.498 4.317 1.00 0.00 H new ATOM 0 HA GLN A 22 10.622 -4.116 2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.989 -4.758 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.482 -4.456 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.810 -6.552 4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.748 -6.048 3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.736 -7.581 5.707 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.937 -8.285 4.619 1.00 0.00 H new ATOM 315 N ASN A 23 8.167 -3.770 3.016 1.00 0.00 N ATOM 316 CA ASN A 23 6.746 -3.542 3.267 1.00 0.00 C ATOM 317 C ASN A 23 6.004 -4.870 3.304 1.00 0.00 C ATOM 318 O ASN A 23 4.777 -4.896 3.402 1.00 0.00 O ATOM 319 CB ASN A 23 6.145 -2.614 2.196 1.00 0.00 C ATOM 320 CG ASN A 23 6.590 -1.165 2.387 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.715 -0.718 3.520 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.842 -0.423 1.318 1.00 0.00 N ATOM 0 H ASN A 23 8.348 -4.442 2.270 1.00 0.00 H new ATOM 0 HA ASN A 23 6.637 -3.053 4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.445 -2.959 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.057 -2.669 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.148 0.544 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.730 -0.819 0.385 1.00 0.00 H new ATOM 329 N TRP A 24 6.711 -5.995 3.172 1.00 0.00 N ATOM 330 CA TRP A 24 6.095 -7.267 3.035 1.00 0.00 C ATOM 331 C TRP A 24 6.000 -7.855 4.434 1.00 0.00 C ATOM 332 O TRP A 24 7.002 -7.967 5.134 1.00 0.00 O ATOM 333 CB TRP A 24 6.935 -8.084 2.060 1.00 0.00 C ATOM 334 CG TRP A 24 6.591 -9.512 2.138 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.123 -10.333 3.055 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.468 -10.205 1.549 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.403 -11.514 3.076 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.343 -11.472 2.183 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.505 -9.859 0.582 1.00 0.00 C ATOM 340 CZ2 TRP A 24 4.313 -12.362 1.847 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.467 -10.740 0.246 1.00 0.00 C ATOM 342 CH2 TRP A 24 3.387 -12.004 0.848 1.00 0.00 C ATOM 0 H TRP A 24 7.731 -6.023 3.160 1.00 0.00 H new ATOM 0 HA TRP A 24 5.086 -7.238 2.623 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.775 -7.722 1.044 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.993 -7.948 2.283 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.977 -10.108 3.677 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.623 -12.312 3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.567 -8.899 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.230 -13.314 2.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.725 -10.443 -0.481 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.618 -12.700 0.547 1.00 0.00 H new ATOM 353 N ASN A 25 4.786 -8.241 4.822 1.00 0.00 N ATOM 354 CA ASN A 25 4.507 -8.858 6.107 1.00 0.00 C ATOM 355 C ASN A 25 5.028 -8.012 7.271 1.00 0.00 C ATOM 356 O ASN A 25 5.425 -8.528 8.318 1.00 0.00 O ATOM 357 CB ASN A 25 5.030 -10.295 6.140 1.00 0.00 C ATOM 358 CG ASN A 25 4.456 -11.053 7.330 1.00 0.00 C ATOM 359 OD1 ASN A 25 5.180 -11.491 8.221 1.00 0.00 O ATOM 360 ND2 ASN A 25 3.139 -11.204 7.371 1.00 0.00 N ATOM 0 H ASN A 25 3.957 -8.130 4.238 1.00 0.00 H new ATOM 0 HA ASN A 25 3.425 -8.905 6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.762 -10.805 5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.118 -10.289 6.198 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.706 -11.693 8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.559 -10.831 6.619 1.00 0.00 H new ATOM 367 N THR A 26 4.920 -6.696 7.137 1.00 0.00 N ATOM 368 CA THR A 26 5.316 -5.702 8.107 1.00 0.00 C ATOM 369 C THR A 26 4.168 -4.703 8.201 1.00 0.00 C ATOM 370 O THR A 26 3.386 -4.573 7.262 1.00 0.00 O ATOM 371 CB THR A 26 6.617 -5.034 7.664 1.00 0.00 C ATOM 372 OG1 THR A 26 6.603 -4.665 6.302 1.00 0.00 O ATOM 373 CG2 THR A 26 7.821 -5.944 7.906 1.00 0.00 C ATOM 0 H THR A 26 4.529 -6.276 6.294 1.00 0.00 H new ATOM 0 HA THR A 26 5.507 -6.142 9.086 1.00 0.00 H new ATOM 0 HB THR A 26 6.703 -4.131 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.455 -4.241 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.730 -5.439 7.580 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.895 -6.175 8.969 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.698 -6.869 7.342 1.00 0.00 H new ATOM 381 N CYS A 27 4.005 -4.070 9.357 1.00 0.00 N ATOM 382 CA CYS A 27 2.869 -3.235 9.658 1.00 0.00 C ATOM 383 C CYS A 27 3.178 -1.810 9.217 1.00 0.00 C ATOM 384 O CYS A 27 3.713 -1.024 9.999 1.00 0.00 O ATOM 385 CB CYS A 27 2.558 -3.324 11.150 1.00 0.00 C ATOM 386 SG CYS A 27 0.876 -2.838 11.564 1.00 0.00 S ATOM 0 H CYS A 27 4.678 -4.130 10.121 1.00 0.00 H new ATOM 0 HA CYS A 27 1.983 -3.570 9.119 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.725 -4.347 11.487 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.256 -2.690 11.697 1.00 0.00 H new ATOM 391 N VAL A 28 2.940 -1.472 7.956 1.00 0.00 N ATOM 392 CA VAL A 28 3.444 -0.232 7.377 1.00 0.00 C ATOM 393 C VAL A 28 2.474 0.893 7.731 1.00 0.00 C ATOM 394 O VAL A 28 1.281 0.752 7.478 1.00 0.00 O ATOM 395 CB VAL A 28 3.602 -0.374 5.854 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.536 0.725 5.337 1.00 0.00 C ATOM 397 CG2 VAL A 28 4.176 -1.737 5.442 1.00 0.00 C ATOM 0 H VAL A 28 2.397 -2.044 7.310 1.00 0.00 H new ATOM 0 HA VAL A 28 4.429 -0.001 7.783 1.00 0.00 H new ATOM 0 HB VAL A 28 2.606 -0.286 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.650 0.627 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.112 1.702 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.511 0.629 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.266 -1.781 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.160 -1.869 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.511 -2.530 5.784 1.00 0.00 H new ATOM 407 N GLY A 29 2.954 1.974 8.353 1.00 0.00 N ATOM 408 CA GLY A 29 2.115 3.063 8.824 1.00 0.00 C ATOM 409 C GLY A 29 1.845 4.090 7.732 1.00 0.00 C ATOM 410 O GLY A 29 2.765 4.703 7.187 1.00 0.00 O ATOM 0 H GLY A 29 3.947 2.112 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.168 2.661 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.597 3.552 9.670 1.00 0.00 H new ATOM 414 N ILE A 30 0.572 4.292 7.438 1.00 0.00 N ATOM 415 CA ILE A 30 0.047 5.218 6.443 1.00 0.00 C ATOM 416 C ILE A 30 -0.275 6.540 7.137 1.00 0.00 C ATOM 417 O ILE A 30 -0.467 6.580 8.355 1.00 0.00 O ATOM 418 CB ILE A 30 -1.215 4.618 5.784 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.948 3.217 5.206 1.00 0.00 C ATOM 420 CG2 ILE A 30 -1.743 5.524 4.657 1.00 0.00 C ATOM 421 CD1 ILE A 30 -2.250 2.448 4.972 1.00 0.00 C ATOM 0 H ILE A 30 -0.171 3.783 7.917 1.00 0.00 H new ATOM 0 HA ILE A 30 0.783 5.393 5.659 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.964 4.541 6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.404 3.308 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.311 2.656 5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.631 5.073 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.997 6.502 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.975 5.639 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.023 1.463 4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.781 2.335 5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.875 2.997 4.268 1.00 0.00 H new ATOM 433 N GLY A 31 -0.359 7.618 6.366 1.00 0.00 N ATOM 434 CA GLY A 31 -0.867 8.890 6.819 1.00 0.00 C ATOM 435 C GLY A 31 0.264 9.851 7.132 1.00 0.00 C ATOM 436 O GLY A 31 1.426 9.455 7.231 1.00 0.00 O ATOM 0 H GLY A 31 -0.067 7.623 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.512 9.321 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.481 8.744 7.708 1.00 0.00 H new ATOM 440 N ALA A 32 -0.115 11.117 7.273 1.00 0.00 N ATOM 441 CA ALA A 32 0.720 12.267 7.544 1.00 0.00 C ATOM 442 C ALA A 32 1.595 12.638 6.358 1.00 0.00 C ATOM 443 O ALA A 32 2.802 12.421 6.347 1.00 0.00 O ATOM 444 CB ALA A 32 1.473 12.109 8.858 1.00 0.00 C ATOM 0 H ALA A 32 -1.097 11.380 7.193 1.00 0.00 H new ATOM 0 HA ALA A 32 0.069 13.131 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.091 12.990 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.760 11.999 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.108 11.224 8.809 1.00 0.00 H new ATOM 450 N ASN A 33 0.941 13.223 5.356 1.00 0.00 N ATOM 451 CA ASN A 33 1.485 13.600 4.060 1.00 0.00 C ATOM 452 C ASN A 33 1.835 12.368 3.242 1.00 0.00 C ATOM 453 O ASN A 33 2.578 12.497 2.274 1.00 0.00 O ATOM 454 CB ASN A 33 2.708 14.527 4.164 1.00 0.00 C ATOM 455 CG ASN A 33 2.421 15.784 4.966 1.00 0.00 C ATOM 456 OD1 ASN A 33 1.640 16.631 4.537 1.00 0.00 O ATOM 457 ND2 ASN A 33 3.059 15.940 6.117 1.00 0.00 N ATOM 0 H ASN A 33 -0.048 13.460 5.437 1.00 0.00 H new ATOM 0 HA ASN A 33 0.700 14.163 3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.532 13.985 4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.034 14.806 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.908 16.781 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.701 15.219 6.446 1.00 0.00 H new ATOM 464 N VAL A 34 1.346 11.189 3.636 1.00 0.00 N ATOM 465 CA VAL A 34 1.678 9.929 2.992 1.00 0.00 C ATOM 466 C VAL A 34 0.389 9.139 2.766 1.00 0.00 C ATOM 467 O VAL A 34 -0.111 8.497 3.688 1.00 0.00 O ATOM 468 CB VAL A 34 2.650 9.149 3.896 1.00 0.00 C ATOM 469 CG1 VAL A 34 3.021 7.782 3.307 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.952 9.906 4.187 1.00 0.00 C ATOM 0 H VAL A 34 0.702 11.089 4.420 1.00 0.00 H new ATOM 0 HA VAL A 34 2.159 10.100 2.029 1.00 0.00 H new ATOM 0 HB VAL A 34 2.102 9.019 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.708 7.270 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.119 7.182 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.499 7.921 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.590 9.299 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.470 10.112 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.722 10.846 4.689 1.00 0.00 H new ATOM 480 N HIS A 35 -0.142 9.185 1.547 1.00 0.00 N ATOM 481 CA HIS A 35 -1.342 8.453 1.141 1.00 0.00 C ATOM 482 C HIS A 35 -1.216 8.028 -0.307 1.00 0.00 C ATOM 483 O HIS A 35 -2.190 8.091 -1.051 1.00 0.00 O ATOM 484 CB HIS A 35 -2.607 9.302 1.364 1.00 0.00 C ATOM 485 CG HIS A 35 -2.549 10.707 0.812 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.269 11.173 -0.263 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.876 11.773 1.350 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.045 12.493 -0.361 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.182 12.905 0.584 1.00 0.00 N ATOM 0 H HIS A 35 0.259 9.745 0.795 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.437 7.560 1.759 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.454 8.787 0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.802 9.358 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.225 11.745 2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.497 13.138 -1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.823 13.850 0.716 1.00 0.00 H new ATOM 497 N TRP A 36 -0.031 7.595 -0.729 1.00 0.00 N ATOM 498 CA TRP A 36 0.137 7.103 -2.081 1.00 0.00 C ATOM 499 C TRP A 36 0.950 5.818 -2.033 1.00 0.00 C ATOM 500 O TRP A 36 1.926 5.721 -1.295 1.00 0.00 O ATOM 501 CB TRP A 36 0.741 8.202 -2.950 1.00 0.00 C ATOM 502 CG TRP A 36 -0.154 9.395 -3.144 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.417 10.343 -2.218 1.00 0.00 C ATOM 504 CD2 TRP A 36 -0.954 9.762 -4.305 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.241 11.306 -2.749 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.617 10.994 -4.034 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.197 9.173 -5.560 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.439 11.633 -4.973 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -1.985 9.827 -6.530 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.586 11.065 -6.246 1.00 0.00 C ATOM 0 H TRP A 36 0.814 7.577 -0.158 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.817 6.851 -2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.677 8.533 -2.500 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.987 7.784 -3.926 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.035 10.344 -1.208 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.536 12.146 -2.252 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.773 8.205 -5.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.951 12.549 -4.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.128 9.372 -7.499 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.159 11.577 -7.005 1.00 0.00 H new ATOM 521 N MET A 37 0.496 4.777 -2.723 1.00 0.00 N ATOM 522 CA MET A 37 1.293 3.601 -3.026 1.00 0.00 C ATOM 523 C MET A 37 1.628 3.699 -4.503 1.00 0.00 C ATOM 524 O MET A 37 0.731 3.836 -5.331 1.00 0.00 O ATOM 525 CB MET A 37 0.516 2.329 -2.683 1.00 0.00 C ATOM 526 CG MET A 37 1.381 1.071 -2.573 1.00 0.00 C ATOM 527 SD MET A 37 0.603 -0.258 -1.615 1.00 0.00 S ATOM 528 CE MET A 37 -0.960 -0.473 -2.490 1.00 0.00 C ATOM 0 H MET A 37 -0.454 4.729 -3.092 1.00 0.00 H new ATOM 0 HA MET A 37 2.208 3.554 -2.435 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.006 2.480 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.246 2.166 -3.446 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.604 0.704 -3.575 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.333 1.333 -2.110 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.494 -1.329 -2.077 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.568 0.424 -2.374 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.764 -0.644 -3.548 1.00 0.00 H new ATOM 538 N VAL A 38 2.910 3.682 -4.824 1.00 0.00 N ATOM 539 CA VAL A 38 3.385 3.760 -6.192 1.00 0.00 C ATOM 540 C VAL A 38 4.245 2.520 -6.346 1.00 0.00 C ATOM 541 O VAL A 38 5.181 2.330 -5.574 1.00 0.00 O ATOM 542 CB VAL A 38 4.144 5.077 -6.417 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.498 5.255 -7.896 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.303 6.286 -5.980 1.00 0.00 C ATOM 0 H VAL A 38 3.658 3.613 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 38 2.594 3.775 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 38 5.053 5.025 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.035 6.194 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.128 4.427 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.584 5.271 -8.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.867 7.203 -6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.379 6.315 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.065 6.200 -4.920 1.00 0.00 H new ATOM 554 N THR A 39 3.862 1.614 -7.237 1.00 0.00 N ATOM 555 CA THR A 39 4.490 0.303 -7.271 1.00 0.00 C ATOM 556 C THR A 39 5.537 0.279 -8.378 1.00 0.00 C ATOM 557 O THR A 39 5.798 1.298 -9.025 1.00 0.00 O ATOM 558 CB THR A 39 3.402 -0.782 -7.335 1.00 0.00 C ATOM 559 OG1 THR A 39 3.912 -2.087 -7.532 1.00 0.00 O ATOM 560 CG2 THR A 39 2.380 -0.504 -8.427 1.00 0.00 C ATOM 0 H THR A 39 3.132 1.760 -7.934 1.00 0.00 H new ATOM 0 HA THR A 39 5.044 0.082 -6.359 1.00 0.00 H new ATOM 0 HB THR A 39 2.926 -0.741 -6.355 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.691 -2.224 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.631 -1.296 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.894 0.453 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.881 -0.469 -9.394 1.00 0.00 H new ATOM 568 N GLY A 40 6.155 -0.881 -8.570 1.00 0.00 N ATOM 569 CA GLY A 40 7.077 -1.138 -9.648 1.00 0.00 C ATOM 570 C GLY A 40 6.531 -0.586 -10.943 1.00 0.00 C ATOM 571 O GLY A 40 5.341 -0.706 -11.217 1.00 0.00 O ATOM 0 H GLY A 40 6.018 -1.685 -7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.042 -0.682 -9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.246 -2.211 -9.744 1.00 0.00 H new ATOM 626 N LYS A 46 2.284 -7.553 -13.148 1.00 0.00 N ATOM 627 CA LYS A 46 2.276 -8.090 -11.800 1.00 0.00 C ATOM 628 C LYS A 46 1.973 -6.957 -10.830 1.00 0.00 C ATOM 629 O LYS A 46 2.845 -6.196 -10.415 1.00 0.00 O ATOM 630 CB LYS A 46 3.591 -8.768 -11.438 1.00 0.00 C ATOM 631 CG LYS A 46 3.856 -9.984 -12.329 1.00 0.00 C ATOM 632 CD LYS A 46 4.946 -10.884 -11.725 1.00 0.00 C ATOM 633 CE LYS A 46 4.889 -12.302 -12.309 1.00 0.00 C ATOM 634 NZ LYS A 46 5.115 -12.315 -13.767 1.00 0.00 N ATOM 0 HA LYS A 46 1.506 -8.859 -11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.410 -8.055 -11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.566 -9.079 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.936 -10.555 -12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.162 -9.652 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.927 -10.449 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.824 -10.929 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.640 -12.924 -11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.917 -12.744 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.084 -13.295 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.374 -11.757 -14.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.046 -11.902 -13.978 1.00 0.00 H new ATOM 648 N GLN A 47 0.705 -6.859 -10.475 1.00 0.00 N ATOM 649 CA GLN A 47 0.264 -6.059 -9.355 1.00 0.00 C ATOM 650 C GLN A 47 0.791 -6.670 -8.059 1.00 0.00 C ATOM 651 O GLN A 47 0.977 -7.883 -7.977 1.00 0.00 O ATOM 652 CB GLN A 47 -1.268 -5.945 -9.381 1.00 0.00 C ATOM 653 CG GLN A 47 -2.013 -7.268 -9.216 1.00 0.00 C ATOM 654 CD GLN A 47 -3.516 -7.041 -9.268 1.00 0.00 C ATOM 655 OE1 GLN A 47 -3.997 -6.187 -10.012 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.280 -7.778 -8.483 1.00 0.00 N ATOM 0 H GLN A 47 -0.052 -7.338 -10.963 1.00 0.00 H new ATOM 0 HA GLN A 47 0.663 -5.047 -9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.581 -5.267 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.568 -5.491 -10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.716 -7.960 -10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.741 -7.730 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.859 -8.480 -7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.291 -7.645 -8.485 1.00 0.00 H new ATOM 665 N GLY A 48 1.012 -5.837 -7.051 1.00 0.00 N ATOM 666 CA GLY A 48 1.245 -6.282 -5.683 1.00 0.00 C ATOM 667 C GLY A 48 0.052 -5.792 -4.880 1.00 0.00 C ATOM 668 O GLY A 48 -0.517 -4.754 -5.244 1.00 0.00 O ATOM 0 H GLY A 48 1.035 -4.823 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.330 -7.368 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.176 -5.871 -5.291 1.00 0.00 H new ATOM 672 N CYS A 49 -0.374 -6.515 -3.841 1.00 0.00 N ATOM 673 CA CYS A 49 -1.592 -6.169 -3.142 1.00 0.00 C ATOM 674 C CYS A 49 -1.323 -6.197 -1.657 1.00 0.00 C ATOM 675 O CYS A 49 -0.458 -6.931 -1.171 1.00 0.00 O ATOM 676 CB CYS A 49 -2.714 -7.153 -3.461 1.00 0.00 C ATOM 677 SG CYS A 49 -3.152 -7.430 -5.193 1.00 0.00 S ATOM 0 H CYS A 49 0.109 -7.335 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.906 -5.176 -3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.443 -8.116 -3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.611 -6.813 -2.943 1.00 0.00 H new ATOM 682 N ALA A 50 -2.074 -5.379 -0.934 1.00 0.00 N ATOM 683 CA ALA A 50 -1.965 -5.245 0.498 1.00 0.00 C ATOM 684 C ALA A 50 -3.353 -5.276 1.101 1.00 0.00 C ATOM 685 O ALA A 50 -4.295 -4.720 0.543 1.00 0.00 O ATOM 686 CB ALA A 50 -1.247 -3.938 0.839 1.00 0.00 C ATOM 0 H ALA A 50 -2.790 -4.779 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.383 -6.069 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.166 -3.839 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.250 -3.945 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.813 -3.097 0.439 1.00 0.00 H new ATOM 692 N THR A 51 -3.460 -5.873 2.276 1.00 0.00 N ATOM 693 CA THR A 51 -4.609 -5.644 3.110 1.00 0.00 C ATOM 694 C THR A 51 -4.268 -4.353 3.831 1.00 0.00 C ATOM 695 O THR A 51 -3.266 -4.274 4.544 1.00 0.00 O ATOM 696 CB THR A 51 -4.831 -6.838 4.039 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.063 -7.984 3.249 1.00 0.00 O ATOM 698 CG2 THR A 51 -6.058 -6.625 4.925 1.00 0.00 C ATOM 0 H THR A 51 -2.767 -6.513 2.664 1.00 0.00 H new ATOM 0 HA THR A 51 -5.551 -5.548 2.571 1.00 0.00 H new ATOM 0 HB THR A 51 -3.949 -6.954 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.206 -8.759 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.192 -7.490 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.917 -5.732 5.533 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.942 -6.502 4.299 1.00 0.00 H new ATOM 706 N ILE A 52 -5.047 -3.316 3.565 1.00 0.00 N ATOM 707 CA ILE A 52 -4.977 -2.072 4.293 1.00 0.00 C ATOM 708 C ILE A 52 -5.913 -2.245 5.486 1.00 0.00 C ATOM 709 O ILE A 52 -6.908 -2.967 5.376 1.00 0.00 O ATOM 710 CB ILE A 52 -5.440 -0.912 3.398 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.932 -0.981 1.947 1.00 0.00 C ATOM 712 CG2 ILE A 52 -5.081 0.426 4.040 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.415 -0.914 1.778 1.00 0.00 C ATOM 0 H ILE A 52 -5.752 -3.321 2.828 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.962 -1.840 4.615 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.523 -1.008 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.290 -1.908 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.379 -0.162 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.414 1.240 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.571 0.507 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.001 0.488 4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.164 -0.971 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.044 0.025 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.953 -1.749 2.305 1.00 0.00 H new ATOM 725 N TRP A 53 -5.605 -1.609 6.610 1.00 0.00 N ATOM 726 CA TRP A 53 -6.353 -1.695 7.848 1.00 0.00 C ATOM 727 C TRP A 53 -6.705 -0.317 8.383 1.00 0.00 C ATOM 728 O TRP A 53 -5.992 0.672 8.185 1.00 0.00 O ATOM 729 CB TRP A 53 -5.534 -2.434 8.899 1.00 0.00 C ATOM 730 CG TRP A 53 -5.700 -3.916 8.923 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.705 -4.590 9.516 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.869 -4.923 8.298 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.504 -5.946 9.379 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.370 -6.212 8.642 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.771 -4.867 7.428 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.756 -7.394 8.203 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.152 -6.042 6.980 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.613 -7.304 7.393 1.00 0.00 C ATOM 0 H TRP A 53 -4.793 -0.996 6.681 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.276 -2.235 7.638 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.480 -2.207 8.737 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.798 -2.041 9.881 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.543 -4.135 10.023 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.116 -6.661 9.772 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.398 -3.908 7.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.156 -8.357 8.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.309 -5.977 6.308 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.091 -8.199 7.089 1.00 0.00 H new ATOM 749 N GLU A 54 -7.817 -0.293 9.109 1.00 0.00 N ATOM 750 CA GLU A 54 -8.356 0.874 9.751 1.00 0.00 C ATOM 751 C GLU A 54 -7.744 1.019 11.137 1.00 0.00 C ATOM 752 O GLU A 54 -7.598 2.136 11.618 1.00 0.00 O ATOM 753 CB GLU A 54 -9.874 0.679 9.802 1.00 0.00 C ATOM 754 CG GLU A 54 -10.690 1.894 10.242 1.00 0.00 C ATOM 755 CD GLU A 54 -12.158 1.543 10.095 1.00 0.00 C ATOM 756 OE1 GLU A 54 -12.636 0.753 10.928 1.00 0.00 O ATOM 757 OE2 GLU A 54 -12.742 1.943 9.067 1.00 0.00 O ATOM 0 H GLU A 54 -8.382 -1.127 9.266 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.123 1.792 9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.215 0.376 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.092 -0.146 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.461 2.154 11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.442 2.762 9.632 1.00 0.00 H new ATOM 764 N GLY A 55 -7.440 -0.080 11.822 1.00 0.00 N ATOM 765 CA GLY A 55 -6.725 -0.002 13.084 1.00 0.00 C ATOM 766 C GLY A 55 -5.288 0.454 12.859 1.00 0.00 C ATOM 767 O GLY A 55 -4.614 -0.006 11.938 1.00 0.00 O ATOM 0 H GLY A 55 -7.677 -1.026 11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.232 0.693 13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.731 -0.976 13.572 1.00 0.00 H new ATOM 771 N SER A 56 -4.799 1.336 13.729 1.00 0.00 N ATOM 772 CA SER A 56 -3.386 1.528 13.925 1.00 0.00 C ATOM 773 C SER A 56 -2.859 0.194 14.425 1.00 0.00 C ATOM 774 O SER A 56 -3.467 -0.440 15.288 1.00 0.00 O ATOM 775 CB SER A 56 -3.150 2.616 14.974 1.00 0.00 C ATOM 776 OG SER A 56 -3.613 3.861 14.487 1.00 0.00 O ATOM 0 H SER A 56 -5.384 1.933 14.314 1.00 0.00 H new ATOM 0 HA SER A 56 -2.885 1.841 13.009 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.669 2.361 15.898 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.088 2.680 15.212 1.00 0.00 H new ATOM 0 HG SER A 56 -3.461 4.554 15.163 1.00 0.00 H new ATOM 782 N GLY A 57 -1.743 -0.221 13.867 1.00 0.00 N ATOM 783 CA GLY A 57 -1.109 -1.486 14.141 1.00 0.00 C ATOM 784 C GLY A 57 -1.801 -2.620 13.387 1.00 0.00 C ATOM 785 O GLY A 57 -1.815 -3.763 13.845 1.00 0.00 O ATOM 0 H GLY A 57 -1.234 0.339 13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.059 -1.440 13.853 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.137 -1.686 15.212 1.00 0.00 H new ATOM 789 N CYS A 58 -2.320 -2.291 12.202 1.00 0.00 N ATOM 790 CA CYS A 58 -2.840 -3.186 11.181 1.00 0.00 C ATOM 791 C CYS A 58 -3.744 -4.261 11.766 1.00 0.00 C ATOM 792 O CYS A 58 -3.588 -5.449 11.493 1.00 0.00 O ATOM 793 CB CYS A 58 -1.748 -3.717 10.231 1.00 0.00 C ATOM 794 SG CYS A 58 -0.300 -4.483 10.987 1.00 0.00 S ATOM 0 H CYS A 58 -2.390 -1.315 11.915 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.486 -2.590 10.537 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.206 -4.447 9.563 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.407 -2.888 9.611 1.00 0.00 H new ATOM 799 N VAL A 59 -4.733 -3.823 12.544 1.00 0.00 N ATOM 800 CA VAL A 59 -5.827 -4.624 13.051 1.00 0.00 C ATOM 801 C VAL A 59 -7.133 -3.934 12.652 1.00 0.00 C ATOM 802 O VAL A 59 -7.111 -2.843 12.081 1.00 0.00 O ATOM 803 CB VAL A 59 -5.681 -4.769 14.576 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.582 -5.778 14.927 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.403 -3.441 15.295 1.00 0.00 C ATOM 0 H VAL A 59 -4.788 -2.851 12.848 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.824 -5.630 12.631 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.647 -5.131 14.929 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.498 -5.863 16.010 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.833 -6.751 14.505 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.632 -5.439 14.515 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.312 -3.619 16.366 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.475 -3.011 14.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.225 -2.749 15.111 1.00 0.00 H new ATOM 815 N GLY A 60 -8.281 -4.542 12.940 1.00 0.00 N ATOM 816 CA GLY A 60 -9.563 -3.902 12.697 1.00 0.00 C ATOM 817 C GLY A 60 -10.036 -4.099 11.263 1.00 0.00 C ATOM 818 O GLY A 60 -9.745 -5.105 10.616 1.00 0.00 O ATOM 0 H GLY A 60 -8.346 -5.477 13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.307 -4.308 13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.482 -2.836 12.909 1.00 0.00 H new ATOM 822 N ARG A 61 -10.811 -3.134 10.784 1.00 0.00 N ATOM 823 CA ARG A 61 -11.529 -3.215 9.527 1.00 0.00 C ATOM 824 C ARG A 61 -10.521 -3.102 8.413 1.00 0.00 C ATOM 825 O ARG A 61 -9.541 -2.382 8.583 1.00 0.00 O ATOM 826 CB ARG A 61 -12.559 -2.081 9.493 1.00 0.00 C ATOM 827 CG ARG A 61 -13.865 -2.484 8.812 1.00 0.00 C ATOM 828 CD ARG A 61 -14.689 -1.233 8.473 1.00 0.00 C ATOM 829 NE ARG A 61 -14.645 -0.950 7.030 1.00 0.00 N ATOM 830 CZ ARG A 61 -13.602 -0.416 6.375 1.00 0.00 C ATOM 831 NH1 ARG A 61 -12.663 0.269 7.022 1.00 0.00 N ATOM 832 NH2 ARG A 61 -13.495 -0.605 5.057 1.00 0.00 N ATOM 0 H ARG A 61 -10.959 -2.252 11.275 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.062 -4.159 9.413 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.771 -1.759 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.132 -1.225 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.652 -3.047 7.903 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.438 -3.141 9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.723 -1.377 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.303 -0.377 9.027 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.475 -1.178 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.729 0.395 8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.877 0.668 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.201 -1.149 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.708 -0.205 4.547 1.00 0.00 H new ATOM 846 N SER A 62 -10.711 -3.838 7.319 1.00 0.00 N ATOM 847 CA SER A 62 -9.649 -3.960 6.348 1.00 0.00 C ATOM 848 C SER A 62 -10.126 -4.161 4.911 1.00 0.00 C ATOM 849 O SER A 62 -11.165 -4.779 4.669 1.00 0.00 O ATOM 850 CB SER A 62 -8.662 -5.049 6.780 1.00 0.00 C ATOM 851 OG SER A 62 -9.211 -5.931 7.753 1.00 0.00 O ATOM 0 H SER A 62 -11.569 -4.342 7.095 1.00 0.00 H new ATOM 0 HA SER A 62 -9.137 -2.998 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.355 -5.624 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.765 -4.581 7.185 1.00 0.00 H new ATOM 0 HG SER A 62 -8.591 -6.012 8.508 1.00 0.00 H new ATOM 857 N THR A 63 -9.354 -3.635 3.964 1.00 0.00 N ATOM 858 CA THR A 63 -9.649 -3.635 2.541 1.00 0.00 C ATOM 859 C THR A 63 -8.434 -4.198 1.801 1.00 0.00 C ATOM 860 O THR A 63 -7.354 -3.609 1.876 1.00 0.00 O ATOM 861 CB THR A 63 -9.956 -2.190 2.129 1.00 0.00 C ATOM 862 OG1 THR A 63 -8.934 -1.351 2.619 1.00 0.00 O ATOM 863 CG2 THR A 63 -11.295 -1.744 2.721 1.00 0.00 C ATOM 0 H THR A 63 -8.468 -3.178 4.181 1.00 0.00 H new ATOM 0 HA THR A 63 -10.511 -4.256 2.296 1.00 0.00 H new ATOM 0 HB THR A 63 -10.010 -2.130 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.931 -0.511 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.501 -0.717 2.421 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.089 -2.395 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.250 -1.802 3.808 1.00 0.00 H new ATOM 871 N THR A 64 -8.586 -5.339 1.138 1.00 0.00 N ATOM 872 CA THR A 64 -7.597 -5.926 0.248 1.00 0.00 C ATOM 873 C THR A 64 -7.453 -5.034 -0.992 1.00 0.00 C ATOM 874 O THR A 64 -8.163 -5.208 -1.983 1.00 0.00 O ATOM 875 CB THR A 64 -8.015 -7.376 -0.063 1.00 0.00 C ATOM 876 OG1 THR A 64 -9.420 -7.545 0.068 1.00 0.00 O ATOM 877 CG2 THR A 64 -7.355 -8.343 0.922 1.00 0.00 C ATOM 0 H THR A 64 -9.435 -5.900 1.210 1.00 0.00 H new ATOM 0 HA THR A 64 -6.609 -5.977 0.706 1.00 0.00 H new ATOM 0 HB THR A 64 -7.703 -7.584 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.658 -8.473 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.660 -9.363 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.271 -8.261 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.663 -8.095 1.938 1.00 0.00 H new ATOM 885 N MET A 65 -6.564 -4.045 -0.921 1.00 0.00 N ATOM 886 CA MET A 65 -6.311 -3.078 -1.972 1.00 0.00 C ATOM 887 C MET A 65 -5.202 -3.632 -2.866 1.00 0.00 C ATOM 888 O MET A 65 -4.176 -4.096 -2.371 1.00 0.00 O ATOM 889 CB MET A 65 -5.936 -1.738 -1.318 1.00 0.00 C ATOM 890 CG MET A 65 -5.929 -0.565 -2.303 1.00 0.00 C ATOM 891 SD MET A 65 -4.493 -0.449 -3.397 1.00 0.00 S ATOM 892 CE MET A 65 -5.079 0.844 -4.508 1.00 0.00 C ATOM 0 H MET A 65 -5.982 -3.895 -0.097 1.00 0.00 H new ATOM 0 HA MET A 65 -7.188 -2.904 -2.595 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.640 -1.524 -0.514 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.950 -1.827 -0.863 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.825 -0.630 -2.920 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.001 0.361 -1.733 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.331 1.027 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.012 0.528 -4.974 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.248 1.760 -3.943 1.00 0.00 H new ATOM 902 N CYS A 66 -5.399 -3.588 -4.180 1.00 0.00 N ATOM 903 CA CYS A 66 -4.402 -3.994 -5.159 1.00 0.00 C ATOM 904 C CYS A 66 -4.063 -2.785 -6.013 1.00 0.00 C ATOM 905 O CYS A 66 -4.937 -1.978 -6.336 1.00 0.00 O ATOM 906 CB CYS A 66 -4.942 -5.091 -6.073 1.00 0.00 C ATOM 907 SG CYS A 66 -5.119 -6.741 -5.364 1.00 0.00 S ATOM 0 H CYS A 66 -6.271 -3.264 -4.599 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.526 -4.377 -4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.918 -4.775 -6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.284 -5.164 -6.939 1.00 0.00 H new ATOM 912 N CYS A 67 -2.797 -2.655 -6.395 1.00 0.00 N ATOM 913 CA CYS A 67 -2.315 -1.573 -7.243 1.00 0.00 C ATOM 914 C CYS A 67 -1.411 -2.149 -8.336 1.00 0.00 C ATOM 915 O CYS A 67 -0.397 -2.762 -7.997 1.00 0.00 O ATOM 916 CB CYS A 67 -1.555 -0.586 -6.368 1.00 0.00 C ATOM 917 SG CYS A 67 -0.958 0.846 -7.280 1.00 0.00 S ATOM 0 H CYS A 67 -2.066 -3.310 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.145 -1.058 -7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.205 -0.250 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.709 -1.095 -5.906 1.00 0.00 H new ATOM 922 N PRO A 68 -1.786 -2.084 -9.621 1.00 0.00 N ATOM 923 CA PRO A 68 -0.998 -2.709 -10.672 1.00 0.00 C ATOM 924 C PRO A 68 0.307 -1.987 -10.962 1.00 0.00 C ATOM 925 O PRO A 68 0.506 -0.849 -10.556 1.00 0.00 O ATOM 926 CB PRO A 68 -1.894 -2.815 -11.904 1.00 0.00 C ATOM 927 CG PRO A 68 -3.056 -1.857 -11.623 1.00 0.00 C ATOM 928 CD PRO A 68 -3.078 -1.640 -10.113 1.00 0.00 C ATOM 0 HA PRO A 68 -0.679 -3.699 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.357 -2.532 -12.810 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.248 -3.835 -12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.917 -0.913 -12.149 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.000 -2.279 -11.969 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.246 -0.590 -9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.886 -2.206 -9.650 1.00 0.00 H new ATOM 936 N ALA A 69 1.196 -2.647 -11.702 1.00 0.00 N ATOM 937 CA ALA A 69 2.513 -2.080 -11.962 1.00 0.00 C ATOM 938 C ALA A 69 2.338 -0.941 -12.966 1.00 0.00 C ATOM 939 O ALA A 69 1.332 -0.881 -13.681 1.00 0.00 O ATOM 940 CB ALA A 69 3.495 -3.148 -12.454 1.00 0.00 C ATOM 0 H ALA A 69 1.031 -3.560 -12.125 1.00 0.00 H new ATOM 0 HA ALA A 69 2.947 -1.688 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.467 -2.691 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.597 -3.925 -11.696 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.120 -3.589 -13.378 1.00 0.00 H new ATOM 946 N ASN A 70 3.261 0.020 -12.943 1.00 0.00 N ATOM 947 CA ASN A 70 3.106 1.320 -13.581 1.00 0.00 C ATOM 948 C ASN A 70 1.723 1.869 -13.244 1.00 0.00 C ATOM 949 O ASN A 70 0.967 2.225 -14.144 1.00 0.00 O ATOM 950 CB ASN A 70 3.310 1.223 -15.104 1.00 0.00 C ATOM 951 CG ASN A 70 4.764 1.275 -15.540 1.00 0.00 C ATOM 952 OD1 ASN A 70 5.526 2.135 -15.096 1.00 0.00 O ATOM 953 ND2 ASN A 70 5.173 0.392 -16.433 1.00 0.00 N ATOM 0 H ASN A 70 4.157 -0.090 -12.468 1.00 0.00 H new ATOM 0 HA ASN A 70 3.869 2.001 -13.204 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.868 0.292 -15.460 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.768 2.038 -15.585 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.136 0.414 -16.768 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.526 -0.312 -16.788 1.00 0.00 H new ATOM 960 N THR A 71 1.367 1.943 -11.963 1.00 0.00 N ATOM 961 CA THR A 71 0.124 2.562 -11.542 1.00 0.00 C ATOM 962 C THR A 71 0.394 3.261 -10.218 1.00 0.00 C ATOM 963 O THR A 71 0.574 2.629 -9.183 1.00 0.00 O ATOM 964 CB THR A 71 -1.033 1.551 -11.473 1.00 0.00 C ATOM 965 OG1 THR A 71 -1.001 0.691 -12.600 1.00 0.00 O ATOM 966 CG2 THR A 71 -2.382 2.273 -11.470 1.00 0.00 C ATOM 0 H THR A 71 1.932 1.577 -11.197 1.00 0.00 H new ATOM 0 HA THR A 71 -0.207 3.296 -12.277 1.00 0.00 H new ATOM 0 HB THR A 71 -0.916 0.977 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.837 0.780 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.187 1.540 -11.421 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.439 2.933 -10.605 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.482 2.861 -12.382 1.00 0.00 H new ATOM 974 N CYS A 72 0.459 4.588 -10.250 1.00 0.00 N ATOM 975 CA CYS A 72 0.489 5.370 -9.028 1.00 0.00 C ATOM 976 C CYS A 72 -0.925 5.341 -8.439 1.00 0.00 C ATOM 977 O CYS A 72 -1.888 5.643 -9.146 1.00 0.00 O ATOM 978 CB CYS A 72 0.900 6.804 -9.362 1.00 0.00 C ATOM 979 SG CYS A 72 0.265 7.989 -8.177 1.00 0.00 S ATOM 0 H CYS A 72 0.492 5.139 -11.108 1.00 0.00 H new ATOM 0 HA CYS A 72 1.204 4.967 -8.311 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.988 6.870 -9.391 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.538 7.060 -10.358 1.00 0.00 H new ATOM 984 N CYS A 73 -1.082 4.945 -7.178 1.00 0.00 N ATOM 985 CA CYS A 73 -2.369 4.724 -6.525 1.00 0.00 C ATOM 986 C CYS A 73 -2.456 5.632 -5.301 1.00 0.00 C ATOM 987 O CYS A 73 -1.461 5.793 -4.597 1.00 0.00 O ATOM 988 CB CYS A 73 -2.501 3.254 -6.117 1.00 0.00 C ATOM 989 SG CYS A 73 -2.634 2.079 -7.491 1.00 0.00 S ATOM 0 H CYS A 73 -0.289 4.763 -6.562 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.183 4.960 -7.210 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.637 2.983 -5.511 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.381 3.147 -5.483 1.00 0.00 H new ATOM 994 N ASN A 74 -3.622 6.231 -5.042 1.00 0.00 N ATOM 995 CA ASN A 74 -3.857 7.173 -3.943 1.00 0.00 C ATOM 996 C ASN A 74 -4.723 6.510 -2.880 1.00 0.00 C ATOM 997 O ASN A 74 -5.880 6.169 -3.136 1.00 0.00 O ATOM 998 CB ASN A 74 -4.561 8.432 -4.439 1.00 0.00 C ATOM 999 CG ASN A 74 -4.950 9.339 -3.276 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.233 9.429 -2.965 1.00 0.00 O flip ATOM 1001 ND2 ASN A 74 -4.110 9.964 -2.642 1.00 0.00 N flip ATOM 0 H ASN A 74 -4.454 6.069 -5.609 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.890 7.453 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.907 8.973 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.452 8.156 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.123 9.888 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.397 10.561 -1.866 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.152 6.292 -1.705 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.684 5.484 -0.626 1.00 0.00 C ATOM 1010 C ILE A 75 -5.441 6.453 0.273 1.00 0.00 C ATOM 1011 O ILE A 75 -5.003 6.804 1.362 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.525 4.714 0.048 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.998 3.593 -0.859 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.921 3.980 1.328 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.507 4.096 -2.201 1.00 0.00 C ATOM 0 H ILE A 75 -3.248 6.702 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.378 4.705 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.795 5.496 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.184 3.076 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.790 2.861 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.051 3.466 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.295 4.698 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.700 3.252 1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.148 3.256 -2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.325 4.588 -2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.694 4.806 -2.048 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.579 6.918 -0.231 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.528 7.720 0.518 1.00 0.00 C ATOM 1029 C ASN A 76 -8.855 6.992 0.439 1.00 0.00 C ATOM 1030 O ASN A 76 -9.671 7.265 -0.443 1.00 0.00 O ATOM 1031 CB ASN A 76 -7.619 9.122 -0.077 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.606 10.006 0.675 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.355 9.565 1.540 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -8.597 11.293 0.361 1.00 0.00 N ATOM 0 H ASN A 76 -6.870 6.742 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.223 7.844 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.633 9.586 -0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.921 9.052 -1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.222 11.940 0.842 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.965 11.637 -0.362 1.00 0.00 H new ATOM 1041 N THR A 77 -9.050 6.024 1.320 1.00 0.00 N ATOM 1042 CA THR A 77 -10.292 5.295 1.419 1.00 0.00 C ATOM 1043 C THR A 77 -11.345 6.194 2.073 1.00 0.00 C ATOM 1044 O THR A 77 -11.022 7.268 2.580 1.00 0.00 O ATOM 1045 CB THR A 77 -10.014 4.036 2.246 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.117 4.349 3.291 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.358 2.929 1.414 1.00 0.00 C ATOM 0 H THR A 77 -8.341 5.724 1.989 1.00 0.00 H new ATOM 0 HA THR A 77 -10.677 5.001 0.442 1.00 0.00 H new ATOM 0 HB THR A 77 -10.976 3.686 2.620 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.551 4.960 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.181 2.057 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.017 2.654 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.409 3.288 1.015 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.604 5.760 2.079 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.659 6.487 2.766 1.00 0.00 C ATOM 1057 C GLY A 78 -13.367 6.559 4.266 1.00 0.00 C ATOM 1058 O GLY A 78 -13.652 7.558 4.916 1.00 0.00 O ATOM 0 H GLY A 78 -12.914 4.907 1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.742 7.494 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.617 5.995 2.599 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.803 5.485 4.825 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.310 5.479 6.190 1.00 0.00 C ATOM 1064 C PHE A 79 -10.901 6.024 6.217 1.00 0.00 C ATOM 1065 O PHE A 79 -10.225 6.094 5.190 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.355 4.072 6.794 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.637 2.998 5.993 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.209 2.453 4.825 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.360 2.572 6.405 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -11.461 1.573 4.028 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -9.649 1.631 5.649 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.194 1.144 4.454 1.00 0.00 C ATOM 0 H PHE A 79 -12.679 4.598 4.337 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.956 6.114 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.920 4.109 7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.398 3.778 6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.219 2.712 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.926 2.973 7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.860 1.226 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.684 1.282 5.986 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.637 0.436 3.858 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.472 6.406 7.415 1.00 0.00 N ATOM 1083 CA TYR A 80 -9.144 6.944 7.601 1.00 0.00 C ATOM 1084 C TYR A 80 -8.156 5.789 7.771 1.00 0.00 C ATOM 1085 O TYR A 80 -8.413 4.865 8.547 1.00 0.00 O ATOM 1086 CB TYR A 80 -9.123 7.915 8.787 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.756 8.520 9.067 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.906 8.864 7.999 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -7.231 8.485 10.371 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -5.518 8.867 8.192 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.840 8.524 10.571 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.985 8.613 9.462 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.685 8.230 9.580 1.00 0.00 O ATOM 0 H TYR A 80 -11.030 6.350 8.267 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.843 7.517 6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.833 8.720 8.597 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.466 7.391 9.679 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.321 9.124 7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.897 8.428 11.219 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.858 9.065 7.360 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.433 8.486 11.571 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.548 7.387 9.100 1.00 0.00 H new ATOM 1103 N ILE A 81 -7.029 5.857 7.069 1.00 0.00 N ATOM 1104 CA ILE A 81 -6.054 4.788 6.953 1.00 0.00 C ATOM 1105 C ILE A 81 -4.945 4.991 7.972 1.00 0.00 C ATOM 1106 O ILE A 81 -4.395 6.086 8.071 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.445 4.723 5.543 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.396 6.084 4.832 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.180 3.657 4.731 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.696 6.415 4.100 1.00 0.00 C ATOM 0 H ILE A 81 -6.764 6.692 6.547 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.570 3.847 7.143 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.397 4.437 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.187 6.864 5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.572 6.087 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.754 3.605 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.075 2.689 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.237 3.916 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.604 7.387 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.894 5.652 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.519 6.442 4.814 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.584 3.942 8.709 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.451 4.004 9.625 1.00 0.00 C ATOM 1124 C ARG A 82 -2.369 3.014 9.255 1.00 0.00 C ATOM 1125 O ARG A 82 -1.196 3.341 9.414 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.890 3.807 11.072 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.744 4.998 11.510 1.00 0.00 C ATOM 1128 CD ARG A 82 -6.182 4.546 11.723 1.00 0.00 C ATOM 1129 NE ARG A 82 -7.073 5.616 12.190 1.00 0.00 N ATOM 1130 CZ ARG A 82 -8.412 5.532 12.173 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -9.016 4.459 11.660 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -9.125 6.530 12.695 1.00 0.00 N ATOM 0 H ARG A 82 -5.061 3.040 8.688 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.028 5.004 9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.459 2.882 11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.018 3.713 11.719 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.346 5.424 12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.707 5.782 10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.570 4.145 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.194 3.732 12.448 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.650 6.472 12.548 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.459 3.695 11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.034 4.403 11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.652 7.339 13.098 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.144 6.485 12.692 1.00 0.00 H new ATOM 1146 N SER A 83 -2.716 1.817 8.790 1.00 0.00 N ATOM 1147 CA SER A 83 -1.646 0.891 8.387 1.00 0.00 C ATOM 1148 C SER A 83 -2.014 -0.135 7.312 1.00 0.00 C ATOM 1149 O SER A 83 -3.191 -0.302 7.013 1.00 0.00 O ATOM 1150 CB SER A 83 -1.008 0.248 9.625 1.00 0.00 C ATOM 1151 OG SER A 83 -1.996 -0.138 10.560 1.00 0.00 O ATOM 0 H SER A 83 -3.670 1.473 8.684 1.00 0.00 H new ATOM 0 HA SER A 83 -0.905 1.508 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.424 -0.623 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.317 0.951 10.090 1.00 0.00 H new ATOM 0 HG SER A 83 -2.054 0.534 11.271 1.00 0.00 H new ATOM 1157 N TYR A 84 -1.017 -0.819 6.732 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.211 -1.958 5.835 1.00 0.00 C ATOM 1159 C TYR A 84 -0.201 -3.069 6.095 1.00 0.00 C ATOM 1160 O TYR A 84 0.807 -2.851 6.764 1.00 0.00 O ATOM 1161 CB TYR A 84 -1.147 -1.540 4.356 1.00 0.00 C ATOM 1162 CG TYR A 84 0.224 -1.277 3.742 1.00 0.00 C ATOM 1163 CD1 TYR A 84 0.957 -2.348 3.192 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.645 0.039 3.475 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.110 -2.114 2.427 1.00 0.00 C ATOM 1166 CE2 TYR A 84 1.766 0.273 2.656 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.523 -0.801 2.168 1.00 0.00 C ATOM 1168 OH TYR A 84 3.620 -0.586 1.391 1.00 0.00 O ATOM 0 H TYR A 84 -0.035 -0.588 6.879 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.209 -2.341 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.632 -2.320 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.744 -0.635 4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.627 -3.362 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.106 0.873 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.679 -2.946 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.044 1.285 2.402 1.00 0.00 H new ATOM 0 HH TYR A 84 3.776 0.378 1.305 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.470 -4.239 5.513 1.00 0.00 N ATOM 1179 CA ARG A 85 0.476 -5.322 5.292 1.00 0.00 C ATOM 1180 C ARG A 85 0.257 -5.898 3.891 1.00 0.00 C ATOM 1181 O ARG A 85 -0.891 -6.052 3.476 1.00 0.00 O ATOM 1182 CB ARG A 85 0.197 -6.416 6.323 1.00 0.00 C ATOM 1183 CG ARG A 85 1.457 -7.121 6.818 1.00 0.00 C ATOM 1184 CD ARG A 85 1.462 -6.939 8.332 1.00 0.00 C ATOM 1185 NE ARG A 85 2.523 -7.703 9.006 1.00 0.00 N ATOM 1186 CZ ARG A 85 2.893 -7.505 10.279 1.00 0.00 C ATOM 1187 NH1 ARG A 85 2.035 -6.943 11.125 1.00 0.00 N ATOM 1188 NH2 ARG A 85 4.117 -7.848 10.669 1.00 0.00 N ATOM 0 H ARG A 85 -1.403 -4.463 5.167 1.00 0.00 H new ATOM 0 HA ARG A 85 1.499 -4.958 5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.323 -5.978 7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.475 -7.154 5.885 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.446 -8.178 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.351 -6.688 6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.583 -5.881 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.495 -7.244 8.731 1.00 0.00 H new ATOM 0 HE ARG A 85 3.006 -8.426 8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.107 -6.668 10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.305 -6.787 12.096 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.769 -8.259 10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.404 -7.700 11.636 1.00 0.00 H new ATOM 1202 N ARG A 86 1.326 -6.232 3.161 1.00 0.00 N ATOM 1203 CA ARG A 86 1.186 -6.981 1.913 1.00 0.00 C ATOM 1204 C ARG A 86 0.405 -8.281 2.107 1.00 0.00 C ATOM 1205 O ARG A 86 0.463 -8.874 3.187 1.00 0.00 O ATOM 1206 CB ARG A 86 2.554 -7.369 1.360 1.00 0.00 C ATOM 1207 CG ARG A 86 3.335 -6.164 0.840 1.00 0.00 C ATOM 1208 CD ARG A 86 2.809 -5.710 -0.517 1.00 0.00 C ATOM 1209 NE ARG A 86 2.996 -6.730 -1.570 1.00 0.00 N ATOM 1210 CZ ARG A 86 4.093 -6.847 -2.332 1.00 0.00 C ATOM 1211 NH1 ARG A 86 5.170 -6.129 -2.028 1.00 0.00 N ATOM 1212 NH2 ARG A 86 4.103 -7.664 -3.379 1.00 0.00 N ATOM 0 H ARG A 86 2.287 -5.998 3.411 1.00 0.00 H new ATOM 0 HA ARG A 86 0.652 -6.324 1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.132 -7.863 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.425 -8.091 0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.262 -5.344 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.391 -6.420 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.749 -5.473 -0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.318 -4.792 -0.811 1.00 0.00 H new ATOM 0 HE ARG A 86 2.236 -7.392 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.154 -5.500 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.012 -6.207 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.272 -8.209 -3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.942 -7.747 -3.953 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.224 -8.765 1.035 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.741 -10.127 0.959 1.00 0.00 C ATOM 1228 C VAL A 87 -0.159 -10.867 -0.245 1.00 0.00 C ATOM 1229 O VAL A 87 0.056 -12.080 -0.167 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.279 -10.157 0.985 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.782 -9.928 2.413 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.925 -9.132 0.045 1.00 0.00 C ATOM 0 H VAL A 87 -0.389 -8.217 0.191 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.413 -10.661 1.851 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.574 -11.144 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.872 -9.951 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.397 -10.712 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.436 -8.958 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.010 -9.208 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.613 -8.128 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.612 -9.330 -0.980 1.00 0.00 H new ATOM 1242 N GLU A 88 0.150 -10.170 -1.337 1.00 0.00 N ATOM 1243 CA GLU A 88 0.828 -10.765 -2.467 1.00 0.00 C ATOM 1244 C GLU A 88 1.687 -9.698 -3.138 1.00 0.00 C ATOM 1245 CB GLU A 88 -0.176 -11.387 -3.441 1.00 0.00 C ATOM 1246 CG GLU A 88 -1.308 -10.435 -3.833 1.00 0.00 C ATOM 1247 CD GLU A 88 -2.231 -11.065 -4.846 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -1.800 -11.259 -6.000 1.00 0.00 O ATOM 1249 OE2 GLU A 88 -3.374 -11.384 -4.463 1.00 0.00 O ATOM 0 H GLU A 88 -0.066 -9.180 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 88 1.474 -11.575 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.350 -11.705 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.603 -12.282 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.876 -10.157 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.888 -9.517 -4.243 1.00 0.00 H new