USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 510 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 64 THR OG1 : rot -88:sc= -0.683! USER MOD Set 1.2: A 69 LYS NZ :NH3+ -150:sc= -7.46! (180deg=-9.74!) USER MOD Set 2.1: A 58 GLN : amide:sc= -1.68! C(o=-0.19!,f=-6.5!) USER MOD Set 2.2: A 73 TYR OH : rot 11:sc= 1.49 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -172:sc= -1.06! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -109:sc= 0.0338! USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= -0.579! (180deg=-3.46!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.92 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 99:sc= 0.101 USER MOD Single : A 23 GLN :FLIP amide:sc= -21.8! C(o=-23!,f=-22!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -1.16 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -73:sc= 0.717 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -2.89 F(o=-4.3!,f=-2.9) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -1.31! X(o=-1.3!,f=-1.7) USER MOD Single : A 42 SER OG : rot 180:sc= 0.272! USER MOD Single : A 48 ASN : amide:sc= -3.07 K(o=-3.1,f=-9.1!) USER MOD Single : A 49 TYR OH : rot 166:sc=-0.00843 USER MOD Single : A 52 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.7!) USER MOD Single : A 55 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.022) USER MOD Single : A 63 TYR OH : rot 165:sc= 0.409 USER MOD Single : A 65 THR OG1 : rot 79:sc= 0.449 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N TYR A 9 16.911 4.006 -4.406 1.00 0.00 N ATOM 114 CA TYR A 9 16.769 3.433 -3.041 1.00 0.00 C ATOM 115 C TYR A 9 17.977 3.776 -2.159 1.00 0.00 C ATOM 116 O TYR A 9 18.774 4.624 -2.492 1.00 0.00 O ATOM 117 CB TYR A 9 16.678 1.891 -3.145 1.00 0.00 C ATOM 118 CG TYR A 9 17.151 1.392 -4.517 1.00 0.00 C ATOM 119 CD1 TYR A 9 18.321 1.859 -5.089 1.00 0.00 C ATOM 120 CD2 TYR A 9 16.404 0.461 -5.198 1.00 0.00 C ATOM 121 CE1 TYR A 9 18.724 1.394 -6.325 1.00 0.00 C ATOM 122 CE2 TYR A 9 16.810 -0.001 -6.430 1.00 0.00 C ATOM 123 CZ TYR A 9 17.968 0.460 -7.000 1.00 0.00 C ATOM 124 OH TYR A 9 18.362 -0.003 -8.230 1.00 0.00 O ATOM 0 HA TYR A 9 15.870 3.856 -2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 9 17.285 1.436 -2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 9 15.649 1.574 -2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 9 18.921 2.590 -4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 9 15.489 0.088 -4.762 1.00 0.00 H new ATOM 0 HE1 TYR A 9 19.638 1.765 -6.766 1.00 0.00 H new ATOM 0 HE2 TYR A 9 16.211 -0.733 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 9 17.710 -0.657 -8.558 1.00 0.00 H new ATOM 134 N ARG A 10 18.068 3.098 -1.046 1.00 0.00 N ATOM 135 CA ARG A 10 19.196 3.332 -0.099 1.00 0.00 C ATOM 136 C ARG A 10 19.258 2.188 0.911 1.00 0.00 C ATOM 137 O ARG A 10 20.282 1.560 1.093 1.00 0.00 O ATOM 138 CB ARG A 10 18.959 4.659 0.650 1.00 0.00 C ATOM 139 CG ARG A 10 20.314 5.306 0.959 1.00 0.00 C ATOM 140 CD ARG A 10 20.104 6.546 1.831 1.00 0.00 C ATOM 141 NE ARG A 10 21.440 7.039 2.286 1.00 0.00 N ATOM 142 CZ ARG A 10 21.914 8.135 1.803 1.00 0.00 C ATOM 143 NH1 ARG A 10 22.529 8.099 0.679 1.00 0.00 N ATOM 144 NH2 ARG A 10 21.755 9.222 2.465 1.00 0.00 N ATOM 0 H ARG A 10 17.402 2.385 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 10 20.134 3.381 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.351 5.330 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.409 4.477 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.960 4.593 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.817 5.582 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.586 7.322 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.477 6.304 2.689 1.00 0.00 H new ATOM 0 HE ARG A 10 21.974 6.510 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.636 7.213 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.912 8.956 0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.261 9.208 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.123 10.100 2.099 1.00 0.00 H new ATOM 158 N GLY A 11 18.141 1.933 1.537 1.00 0.00 N ATOM 159 CA GLY A 11 18.088 0.831 2.548 1.00 0.00 C ATOM 160 C GLY A 11 18.357 -0.522 1.877 1.00 0.00 C ATOM 161 O GLY A 11 18.559 -1.515 2.545 1.00 0.00 O ATOM 0 H GLY A 11 17.265 2.436 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.826 1.010 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.110 0.817 3.030 1.00 0.00 H new ATOM 165 N THR A 12 18.358 -0.538 0.556 1.00 0.00 N ATOM 166 CA THR A 12 18.615 -1.830 -0.149 1.00 0.00 C ATOM 167 C THR A 12 20.013 -2.318 0.108 1.00 0.00 C ATOM 168 O THR A 12 20.309 -3.471 -0.138 1.00 0.00 O ATOM 169 CB THR A 12 18.446 -1.665 -1.655 1.00 0.00 C ATOM 170 OG1 THR A 12 18.482 -2.983 -2.147 1.00 0.00 O ATOM 171 CG2 THR A 12 19.664 -0.977 -2.297 1.00 0.00 C ATOM 0 H THR A 12 18.196 0.270 -0.045 1.00 0.00 H new ATOM 0 HA THR A 12 17.894 -2.552 0.235 1.00 0.00 H new ATOM 0 HB THR A 12 17.548 -1.086 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.511 -2.966 -3.126 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.503 -0.879 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.796 0.012 -1.858 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.557 -1.576 -2.118 1.00 0.00 H new ATOM 179 N MET A 13 20.865 -1.429 0.581 1.00 0.00 N ATOM 180 CA MET A 13 22.263 -1.841 0.862 1.00 0.00 C ATOM 181 C MET A 13 22.268 -3.252 1.380 1.00 0.00 C ATOM 182 O MET A 13 23.109 -4.049 1.016 1.00 0.00 O ATOM 183 CB MET A 13 22.846 -0.905 1.941 1.00 0.00 C ATOM 184 CG MET A 13 23.627 0.234 1.272 1.00 0.00 C ATOM 185 SD MET A 13 25.157 0.770 2.080 1.00 0.00 S ATOM 186 CE MET A 13 25.847 1.692 0.685 1.00 0.00 C ATOM 0 H MET A 13 20.646 -0.452 0.778 1.00 0.00 H new ATOM 0 HA MET A 13 22.860 -1.783 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 13 22.043 -0.497 2.554 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.502 -1.466 2.607 1.00 0.00 H new ATOM 0 HG2 MET A 13 23.871 -0.075 0.256 1.00 0.00 H new ATOM 0 HG3 MET A 13 22.966 1.097 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 13 26.810 2.116 0.970 1.00 0.00 H new ATOM 0 HE2 MET A 13 25.982 1.021 -0.163 1.00 0.00 H new ATOM 0 HE3 MET A 13 25.165 2.495 0.407 1.00 0.00 H new ATOM 196 N SER A 14 21.290 -3.502 2.214 1.00 0.00 N ATOM 197 CA SER A 14 21.103 -4.845 2.851 1.00 0.00 C ATOM 198 C SER A 14 20.638 -4.710 4.312 1.00 0.00 C ATOM 199 O SER A 14 21.224 -5.290 5.203 1.00 0.00 O ATOM 200 CB SER A 14 22.425 -5.636 2.803 1.00 0.00 C ATOM 201 OG SER A 14 23.417 -4.731 3.306 1.00 0.00 O ATOM 0 H SER A 14 20.592 -2.811 2.488 1.00 0.00 H new ATOM 0 HA SER A 14 20.333 -5.378 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 14 22.368 -6.538 3.413 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.659 -5.953 1.787 1.00 0.00 H new ATOM 0 HG SER A 14 24.000 -4.444 2.573 1.00 0.00 H new ATOM 207 N LYS A 15 19.579 -3.950 4.518 1.00 0.00 N ATOM 208 CA LYS A 15 19.045 -3.755 5.909 1.00 0.00 C ATOM 209 C LYS A 15 17.520 -4.033 5.937 1.00 0.00 C ATOM 210 O LYS A 15 16.731 -3.188 5.550 1.00 0.00 O ATOM 211 CB LYS A 15 19.284 -2.278 6.298 1.00 0.00 C ATOM 212 CG LYS A 15 20.698 -2.115 6.873 1.00 0.00 C ATOM 213 CD LYS A 15 21.158 -0.655 6.683 1.00 0.00 C ATOM 214 CE LYS A 15 20.509 0.237 7.752 1.00 0.00 C ATOM 215 NZ LYS A 15 19.838 1.412 7.120 1.00 0.00 N ATOM 0 H LYS A 15 19.066 -3.460 3.785 1.00 0.00 H new ATOM 0 HA LYS A 15 19.544 -4.435 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.160 -1.638 5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.544 -1.961 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.705 -2.376 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.388 -2.794 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.244 -0.594 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.884 -0.304 5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.782 -0.341 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.267 0.580 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.058 1.735 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.526 2.183 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.462 1.138 6.190 1.00 0.00 H new ATOM 229 N THR A 16 17.136 -5.195 6.410 1.00 0.00 N ATOM 230 CA THR A 16 15.679 -5.524 6.459 1.00 0.00 C ATOM 231 C THR A 16 14.839 -4.521 7.277 1.00 0.00 C ATOM 232 O THR A 16 15.219 -4.093 8.353 1.00 0.00 O ATOM 233 CB THR A 16 15.495 -6.940 7.028 1.00 0.00 C ATOM 234 OG1 THR A 16 16.789 -7.490 7.125 1.00 0.00 O ATOM 235 CG2 THR A 16 14.809 -7.851 6.015 1.00 0.00 C ATOM 0 H THR A 16 17.761 -5.921 6.760 1.00 0.00 H new ATOM 0 HA THR A 16 15.312 -5.464 5.434 1.00 0.00 H new ATOM 0 HB THR A 16 14.929 -6.876 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.732 -8.399 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.691 -8.847 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.829 -7.445 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.416 -7.914 5.112 1.00 0.00 H new ATOM 243 N LYS A 17 13.686 -4.229 6.697 1.00 0.00 N ATOM 244 CA LYS A 17 12.657 -3.280 7.253 1.00 0.00 C ATOM 245 C LYS A 17 13.261 -2.118 8.044 1.00 0.00 C ATOM 246 O LYS A 17 13.145 -0.982 7.627 1.00 0.00 O ATOM 247 CB LYS A 17 11.606 -4.085 8.079 1.00 0.00 C ATOM 248 CG LYS A 17 10.794 -3.124 8.963 1.00 0.00 C ATOM 249 CD LYS A 17 9.414 -3.745 9.238 1.00 0.00 C ATOM 250 CE LYS A 17 8.565 -2.773 10.070 1.00 0.00 C ATOM 251 NZ LYS A 17 7.737 -1.902 9.175 1.00 0.00 N ATOM 0 H LYS A 17 13.406 -4.639 5.806 1.00 0.00 H new ATOM 0 HA LYS A 17 12.155 -2.800 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.940 -4.627 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.108 -4.828 8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.318 -2.941 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.681 -2.160 8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.911 -3.968 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.529 -4.689 9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.917 -3.333 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.213 -2.155 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.169 -1.251 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.361 -1.354 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.105 -2.496 8.601 1.00 0.00 H new ATOM 265 N ASN A 18 13.880 -2.385 9.144 1.00 0.00 N ATOM 266 CA ASN A 18 14.473 -1.260 9.918 1.00 0.00 C ATOM 267 C ASN A 18 15.974 -1.194 9.740 1.00 0.00 C ATOM 268 O ASN A 18 16.527 -0.172 9.397 1.00 0.00 O ATOM 269 CB ASN A 18 14.259 -1.500 11.381 1.00 0.00 C ATOM 270 CG ASN A 18 13.499 -0.338 11.987 1.00 0.00 C ATOM 271 OD1 ASN A 18 12.370 -0.470 12.401 1.00 0.00 O ATOM 272 ND2 ASN A 18 14.071 0.811 12.055 1.00 0.00 N ATOM 0 H ASN A 18 14.005 -3.315 9.544 1.00 0.00 H new ATOM 0 HA ASN A 18 14.000 -0.345 9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.704 -2.426 11.529 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.219 -1.620 11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.573 1.606 12.456 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.023 0.928 11.708 1.00 0.00 H new ATOM 279 N GLY A 19 16.609 -2.294 10.016 1.00 0.00 N ATOM 280 CA GLY A 19 18.061 -2.341 9.882 1.00 0.00 C ATOM 281 C GLY A 19 18.611 -3.752 10.113 1.00 0.00 C ATOM 282 O GLY A 19 19.776 -3.912 10.405 1.00 0.00 O ATOM 0 H GLY A 19 16.170 -3.160 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.345 -1.999 8.887 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.514 -1.653 10.596 1.00 0.00 H new ATOM 286 N ILE A 20 17.774 -4.749 9.978 1.00 0.00 N ATOM 287 CA ILE A 20 18.263 -6.138 10.191 1.00 0.00 C ATOM 288 C ILE A 20 19.273 -6.491 9.102 1.00 0.00 C ATOM 289 O ILE A 20 18.924 -6.582 7.947 1.00 0.00 O ATOM 290 CB ILE A 20 17.069 -7.092 10.096 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.148 -6.911 11.297 1.00 0.00 C ATOM 292 CG2 ILE A 20 17.579 -8.551 10.083 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.000 -7.926 11.204 1.00 0.00 C ATOM 0 H ILE A 20 16.788 -4.661 9.733 1.00 0.00 H new ATOM 0 HA ILE A 20 18.738 -6.222 11.168 1.00 0.00 H new ATOM 0 HB ILE A 20 16.519 -6.872 9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.704 -7.056 12.223 1.00 0.00 H new ATOM 0 HG13 ILE A 20 15.752 -5.896 11.318 1.00 0.00 H new ATOM 0 HG21 ILE A 20 16.731 -9.232 10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.233 -8.700 9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.133 -8.751 11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.336 -7.804 12.060 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.440 -7.759 10.284 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.407 -8.937 11.203 1.00 0.00 H new ATOM 305 N THR A 21 20.508 -6.661 9.475 1.00 0.00 N ATOM 306 CA THR A 21 21.520 -7.003 8.458 1.00 0.00 C ATOM 307 C THR A 21 21.014 -8.100 7.523 1.00 0.00 C ATOM 308 O THR A 21 20.742 -9.209 7.953 1.00 0.00 O ATOM 309 CB THR A 21 22.795 -7.496 9.162 1.00 0.00 C ATOM 310 OG1 THR A 21 22.828 -6.831 10.412 1.00 0.00 O ATOM 311 CG2 THR A 21 24.040 -6.990 8.431 1.00 0.00 C ATOM 0 H THR A 21 20.852 -6.578 10.431 1.00 0.00 H new ATOM 0 HA THR A 21 21.728 -6.111 7.866 1.00 0.00 H new ATOM 0 HB THR A 21 22.787 -8.585 9.214 1.00 0.00 H new ATOM 0 HG1 THR A 21 22.485 -7.428 11.109 1.00 0.00 H new ATOM 0 HG21 THR A 21 24.933 -7.348 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.036 -7.361 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.039 -5.900 8.423 1.00 0.00 H new ATOM 319 N CYS A 22 20.879 -7.754 6.264 1.00 0.00 N ATOM 320 CA CYS A 22 20.391 -8.745 5.250 1.00 0.00 C ATOM 321 C CYS A 22 21.454 -9.805 4.912 1.00 0.00 C ATOM 322 O CYS A 22 22.452 -9.934 5.594 1.00 0.00 O ATOM 323 CB CYS A 22 20.029 -7.980 3.970 1.00 0.00 C ATOM 324 SG CYS A 22 18.286 -7.579 3.705 1.00 0.00 S ATOM 0 H CYS A 22 21.086 -6.826 5.894 1.00 0.00 H new ATOM 0 HA CYS A 22 19.529 -9.265 5.667 1.00 0.00 H new ATOM 0 HB2 CYS A 22 20.594 -7.048 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.373 -8.567 3.118 1.00 0.00 H new ATOM 329 N GLN A 23 21.208 -10.544 3.862 1.00 0.00 N ATOM 330 CA GLN A 23 22.175 -11.610 3.441 1.00 0.00 C ATOM 331 C GLN A 23 22.847 -11.289 2.110 1.00 0.00 C ATOM 332 O GLN A 23 22.905 -10.161 1.718 1.00 0.00 O ATOM 333 CB GLN A 23 21.382 -12.882 3.264 1.00 0.00 C ATOM 334 CG GLN A 23 20.304 -12.632 2.206 1.00 0.00 C ATOM 335 CD GLN A 23 19.242 -13.723 2.310 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.137 -14.451 3.409 1.00 0.00 O flip ATOM 337 NE2 GLN A 23 18.503 -13.933 1.396 1.00 0.00 N flip ATOM 0 H GLN A 23 20.379 -10.458 3.275 1.00 0.00 H new ATOM 0 HA GLN A 23 22.954 -11.694 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.036 -13.697 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.926 -13.180 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.852 -11.651 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 23 20.747 -12.632 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.575 -13.377 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.799 -14.668 1.468 1.00 0.00 H new ATOM 346 N LYS A 24 23.322 -12.325 1.427 1.00 0.00 N ATOM 347 CA LYS A 24 23.993 -12.102 0.119 1.00 0.00 C ATOM 348 C LYS A 24 23.405 -12.989 -0.966 1.00 0.00 C ATOM 349 O LYS A 24 23.927 -13.083 -2.058 1.00 0.00 O ATOM 350 CB LYS A 24 25.476 -12.455 0.273 1.00 0.00 C ATOM 351 CG LYS A 24 25.667 -13.393 1.472 1.00 0.00 C ATOM 352 CD LYS A 24 27.159 -13.751 1.598 1.00 0.00 C ATOM 353 CE LYS A 24 27.735 -13.118 2.871 1.00 0.00 C ATOM 354 NZ LYS A 24 29.077 -13.701 3.178 1.00 0.00 N ATOM 0 H LYS A 24 23.267 -13.298 1.729 1.00 0.00 H new ATOM 0 HA LYS A 24 23.853 -11.060 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.841 -12.933 -0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.062 -11.547 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.317 -12.912 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.073 -14.297 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.282 -14.834 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.704 -13.394 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.820 -12.039 2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.057 -13.287 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.456 -13.264 4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.985 -14.727 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.725 -13.518 2.385 1.00 0.00 H new ATOM 368 N TRP A 25 22.336 -13.621 -0.618 1.00 0.00 N ATOM 369 CA TRP A 25 21.626 -14.541 -1.570 1.00 0.00 C ATOM 370 C TRP A 25 22.399 -15.846 -1.728 1.00 0.00 C ATOM 371 O TRP A 25 22.227 -16.568 -2.688 1.00 0.00 O ATOM 372 CB TRP A 25 21.476 -13.872 -2.962 1.00 0.00 C ATOM 373 CG TRP A 25 20.816 -12.479 -2.857 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.272 -11.405 -3.493 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.708 -12.188 -2.177 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.393 -10.441 -3.176 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.374 -10.854 -2.348 1.00 0.00 C ATOM 378 CE3 TRP A 25 18.901 -12.984 -1.378 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.256 -10.334 -1.730 1.00 0.00 C ATOM 380 CZ3 TRP A 25 17.787 -12.452 -0.765 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.467 -11.132 -0.940 1.00 0.00 C ATOM 0 H TRP A 25 21.903 -13.548 0.302 1.00 0.00 H new ATOM 0 HA TRP A 25 20.638 -14.751 -1.159 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.457 -13.776 -3.427 1.00 0.00 H new ATOM 0 HB3 TRP A 25 20.877 -14.511 -3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.148 -11.326 -4.120 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.473 -9.484 -3.520 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.147 -14.026 -1.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.000 -9.294 -1.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.164 -13.079 -0.144 1.00 0.00 H new ATOM 0 HH2 TRP A 25 16.594 -10.719 -0.456 1.00 0.00 H new ATOM 392 N SER A 26 23.226 -16.124 -0.764 1.00 0.00 N ATOM 393 CA SER A 26 24.036 -17.373 -0.807 1.00 0.00 C ATOM 394 C SER A 26 23.156 -18.635 -0.721 1.00 0.00 C ATOM 395 O SER A 26 23.659 -19.715 -0.482 1.00 0.00 O ATOM 396 CB SER A 26 24.981 -17.348 0.408 1.00 0.00 C ATOM 397 OG SER A 26 26.283 -17.392 -0.155 1.00 0.00 O ATOM 0 H SER A 26 23.378 -15.538 0.057 1.00 0.00 H new ATOM 0 HA SER A 26 24.578 -17.412 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.837 -16.447 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.804 -18.199 1.066 1.00 0.00 H new ATOM 0 HG SER A 26 26.950 -17.378 0.563 1.00 0.00 H new ATOM 403 N SER A 27 21.862 -18.471 -0.926 1.00 0.00 N ATOM 404 CA SER A 27 20.929 -19.647 -0.861 1.00 0.00 C ATOM 405 C SER A 27 21.125 -20.450 0.409 1.00 0.00 C ATOM 406 O SER A 27 21.929 -20.106 1.257 1.00 0.00 O ATOM 407 CB SER A 27 21.186 -20.547 -2.082 1.00 0.00 C ATOM 408 OG SER A 27 20.467 -19.907 -3.128 1.00 0.00 O ATOM 0 H SER A 27 21.417 -17.577 -1.134 1.00 0.00 H new ATOM 0 HA SER A 27 19.904 -19.276 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 27 22.249 -20.617 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.829 -21.563 -1.913 1.00 0.00 H new ATOM 0 HG SER A 27 20.575 -20.416 -3.958 1.00 0.00 H new ATOM 414 N THR A 28 20.384 -21.504 0.530 1.00 0.00 N ATOM 415 CA THR A 28 20.521 -22.326 1.739 1.00 0.00 C ATOM 416 C THR A 28 21.949 -22.751 1.982 1.00 0.00 C ATOM 417 O THR A 28 22.465 -23.609 1.299 1.00 0.00 O ATOM 418 CB THR A 28 19.668 -23.565 1.611 1.00 0.00 C ATOM 419 OG1 THR A 28 18.339 -23.094 1.602 1.00 0.00 O ATOM 420 CG2 THR A 28 19.783 -24.393 2.888 1.00 0.00 C ATOM 0 H THR A 28 19.697 -21.826 -0.151 1.00 0.00 H new ATOM 0 HA THR A 28 20.197 -21.715 2.581 1.00 0.00 H new ATOM 0 HB THR A 28 19.956 -24.150 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.724 -23.852 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.168 -25.288 2.798 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.823 -24.681 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.441 -23.802 3.737 1.00 0.00 H new ATOM 428 N SER A 29 22.557 -22.135 2.968 1.00 0.00 N ATOM 429 CA SER A 29 23.967 -22.468 3.305 1.00 0.00 C ATOM 430 C SER A 29 24.638 -21.332 4.104 1.00 0.00 C ATOM 431 O SER A 29 25.343 -20.503 3.551 1.00 0.00 O ATOM 432 CB SER A 29 24.744 -22.687 1.997 1.00 0.00 C ATOM 433 OG SER A 29 26.112 -22.610 2.381 1.00 0.00 O ATOM 0 H SER A 29 22.132 -21.415 3.552 1.00 0.00 H new ATOM 0 HA SER A 29 23.975 -23.368 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.510 -23.654 1.553 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.496 -21.927 1.256 1.00 0.00 H new ATOM 0 HG SER A 29 26.344 -21.679 2.580 1.00 0.00 H new ATOM 439 N PRO A 30 24.379 -21.304 5.402 1.00 0.00 N ATOM 440 CA PRO A 30 23.476 -22.257 6.069 1.00 0.00 C ATOM 441 C PRO A 30 22.006 -21.892 5.843 1.00 0.00 C ATOM 442 O PRO A 30 21.155 -22.751 5.743 1.00 0.00 O ATOM 443 CB PRO A 30 23.808 -22.110 7.570 1.00 0.00 C ATOM 444 CG PRO A 30 24.764 -20.887 7.716 1.00 0.00 C ATOM 445 CD PRO A 30 25.045 -20.355 6.300 1.00 0.00 C ATOM 0 HA PRO A 30 23.612 -23.268 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 30 22.899 -21.958 8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.282 -23.015 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.307 -20.114 8.334 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.692 -21.181 8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 30 24.652 -19.347 6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 30 26.116 -20.307 6.101 1.00 0.00 H new ATOM 453 N HIS A 31 21.748 -20.619 5.759 1.00 0.00 N ATOM 454 CA HIS A 31 20.344 -20.158 5.539 1.00 0.00 C ATOM 455 C HIS A 31 20.278 -18.979 4.559 1.00 0.00 C ATOM 456 O HIS A 31 20.956 -17.985 4.745 1.00 0.00 O ATOM 457 CB HIS A 31 19.763 -19.693 6.874 1.00 0.00 C ATOM 458 CG HIS A 31 18.310 -19.278 6.643 1.00 0.00 C ATOM 459 ND1 HIS A 31 17.797 -18.267 5.848 1.00 0.00 N flip ATOM 460 CD2 HIS A 31 17.315 -19.839 7.146 1.00 0.00 C flip ATOM 461 CE1 HIS A 31 16.448 -18.280 5.926 1.00 0.00 C flip ATOM 462 NE2 HIS A 31 16.234 -19.294 6.757 1.00 0.00 N flip ATOM 0 H HIS A 31 22.444 -19.877 5.832 1.00 0.00 H new ATOM 0 HA HIS A 31 19.780 -20.992 5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 31 19.817 -20.494 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 31 20.339 -18.856 7.269 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.366 -20.678 7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.731 -17.635 5.440 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.307 -19.601 7.050 1.00 0.00 H new ATOM 470 N ARG A 32 19.446 -19.128 3.538 1.00 0.00 N ATOM 471 CA ARG A 32 19.278 -18.052 2.500 1.00 0.00 C ATOM 472 C ARG A 32 18.439 -18.596 1.300 1.00 0.00 C ATOM 473 O ARG A 32 18.594 -19.729 0.897 1.00 0.00 O ATOM 474 CB ARG A 32 20.678 -17.628 1.982 1.00 0.00 C ATOM 475 CG ARG A 32 21.120 -16.301 2.616 1.00 0.00 C ATOM 476 CD ARG A 32 22.654 -16.260 2.673 1.00 0.00 C ATOM 477 NE ARG A 32 23.183 -17.564 3.216 1.00 0.00 N ATOM 478 CZ ARG A 32 24.040 -17.540 4.162 1.00 0.00 C ATOM 479 NH1 ARG A 32 23.614 -17.524 5.358 1.00 0.00 N ATOM 480 NH2 ARG A 32 25.289 -17.537 3.874 1.00 0.00 N ATOM 0 H ARG A 32 18.874 -19.958 3.383 1.00 0.00 H new ATOM 0 HA ARG A 32 18.764 -17.200 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.406 -18.406 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.653 -17.526 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 32 20.742 -15.461 2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.703 -16.206 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.059 -16.080 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.981 -15.434 3.304 1.00 0.00 H new ATOM 0 HE ARG A 32 22.861 -18.453 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 32 22.611 -17.530 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 32 24.275 -17.505 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 32 25.588 -17.554 2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 32 25.984 -17.518 4.620 1.00 0.00 H new ATOM 494 N PRO A 33 17.549 -17.759 0.778 1.00 0.00 N ATOM 495 CA PRO A 33 16.679 -18.127 -0.364 1.00 0.00 C ATOM 496 C PRO A 33 17.480 -18.273 -1.674 1.00 0.00 C ATOM 497 O PRO A 33 18.627 -17.878 -1.749 1.00 0.00 O ATOM 498 CB PRO A 33 15.695 -16.942 -0.496 1.00 0.00 C ATOM 499 CG PRO A 33 16.172 -15.836 0.485 1.00 0.00 C ATOM 500 CD PRO A 33 17.346 -16.416 1.295 1.00 0.00 C ATOM 0 HA PRO A 33 16.189 -19.086 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.679 -16.567 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.679 -17.257 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 33 16.485 -14.947 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.361 -15.534 1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.244 -15.809 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 33 17.116 -16.436 2.360 1.00 0.00 H new ATOM 508 N ARG A 34 16.851 -18.832 -2.686 1.00 0.00 N ATOM 509 CA ARG A 34 17.562 -19.013 -3.999 1.00 0.00 C ATOM 510 C ARG A 34 16.928 -18.171 -5.123 1.00 0.00 C ATOM 511 O ARG A 34 17.382 -18.190 -6.252 1.00 0.00 O ATOM 512 CB ARG A 34 17.466 -20.497 -4.385 1.00 0.00 C ATOM 513 CG ARG A 34 17.894 -21.366 -3.187 1.00 0.00 C ATOM 514 CD ARG A 34 16.654 -21.989 -2.534 1.00 0.00 C ATOM 515 NE ARG A 34 15.920 -22.784 -3.565 1.00 0.00 N ATOM 516 CZ ARG A 34 15.060 -23.673 -3.203 1.00 0.00 C ATOM 517 NH1 ARG A 34 13.909 -23.291 -2.781 1.00 0.00 N ATOM 518 NH2 ARG A 34 15.382 -24.911 -3.282 1.00 0.00 N ATOM 0 H ARG A 34 15.888 -19.167 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 34 18.595 -18.687 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.446 -20.742 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.104 -20.703 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 34 18.575 -22.150 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.435 -20.760 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.946 -22.628 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.009 -21.210 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 34 16.100 -22.623 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.687 -22.297 -2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.217 -23.982 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.305 -25.177 -3.626 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.716 -25.630 -3.000 1.00 0.00 H new ATOM 532 N PHE A 35 15.899 -17.454 -4.788 1.00 0.00 N ATOM 533 CA PHE A 35 15.221 -16.610 -5.809 1.00 0.00 C ATOM 534 C PHE A 35 15.966 -15.273 -5.965 1.00 0.00 C ATOM 535 O PHE A 35 15.726 -14.320 -5.254 1.00 0.00 O ATOM 536 CB PHE A 35 13.751 -16.423 -5.329 1.00 0.00 C ATOM 537 CG PHE A 35 13.280 -14.981 -5.466 1.00 0.00 C ATOM 538 CD1 PHE A 35 13.410 -14.299 -6.658 1.00 0.00 C ATOM 539 CD2 PHE A 35 12.709 -14.342 -4.384 1.00 0.00 C ATOM 540 CE1 PHE A 35 12.977 -13.002 -6.762 1.00 0.00 C ATOM 541 CE2 PHE A 35 12.276 -13.048 -4.492 1.00 0.00 C ATOM 542 CZ PHE A 35 12.409 -12.375 -5.673 1.00 0.00 C ATOM 0 H PHE A 35 15.496 -17.414 -3.852 1.00 0.00 H new ATOM 0 HA PHE A 35 15.225 -17.076 -6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.096 -17.074 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.669 -16.733 -4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.854 -14.788 -7.512 1.00 0.00 H new ATOM 0 HD2 PHE A 35 12.603 -14.867 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.081 -12.471 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.828 -12.558 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.070 -11.353 -5.754 1.00 0.00 H new ATOM 552 N SER A 36 16.905 -15.260 -6.884 1.00 0.00 N ATOM 553 CA SER A 36 17.689 -14.011 -7.118 1.00 0.00 C ATOM 554 C SER A 36 17.883 -13.594 -8.617 1.00 0.00 C ATOM 555 O SER A 36 18.569 -12.622 -8.879 1.00 0.00 O ATOM 556 CB SER A 36 19.074 -14.233 -6.504 1.00 0.00 C ATOM 557 OG SER A 36 19.548 -15.412 -7.153 1.00 0.00 O ATOM 0 H SER A 36 17.158 -16.053 -7.474 1.00 0.00 H new ATOM 0 HA SER A 36 17.118 -13.200 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 36 19.733 -13.384 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 36 19.016 -14.367 -5.424 1.00 0.00 H new ATOM 0 HG SER A 36 20.443 -15.632 -6.819 1.00 0.00 H new ATOM 563 N PRO A 37 17.296 -14.317 -9.570 1.00 0.00 N ATOM 564 CA PRO A 37 17.445 -13.968 -10.998 1.00 0.00 C ATOM 565 C PRO A 37 16.670 -12.692 -11.372 1.00 0.00 C ATOM 566 O PRO A 37 16.088 -12.036 -10.528 1.00 0.00 O ATOM 567 CB PRO A 37 16.827 -15.163 -11.747 1.00 0.00 C ATOM 568 CG PRO A 37 16.080 -16.022 -10.692 1.00 0.00 C ATOM 569 CD PRO A 37 16.492 -15.512 -9.315 1.00 0.00 C ATOM 0 HA PRO A 37 18.490 -13.778 -11.244 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.141 -14.820 -12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.600 -15.749 -12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.001 -15.940 -10.825 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.336 -17.076 -10.804 1.00 0.00 H new ATOM 0 HD2 PRO A 37 15.619 -15.276 -8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.066 -16.264 -8.773 1.00 0.00 H new ATOM 577 N ALA A 38 16.692 -12.370 -12.643 1.00 0.00 N ATOM 578 CA ALA A 38 15.974 -11.156 -13.118 1.00 0.00 C ATOM 579 C ALA A 38 14.858 -11.554 -14.089 1.00 0.00 C ATOM 580 O ALA A 38 15.097 -12.252 -15.048 1.00 0.00 O ATOM 581 CB ALA A 38 16.976 -10.251 -13.850 1.00 0.00 C ATOM 0 H ALA A 38 17.177 -12.898 -13.368 1.00 0.00 H new ATOM 0 HA ALA A 38 15.537 -10.633 -12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.466 -9.356 -14.205 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.776 -9.966 -13.166 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.399 -10.788 -14.699 1.00 0.00 H new ATOM 587 N THR A 39 13.667 -11.091 -13.811 1.00 0.00 N ATOM 588 CA THR A 39 12.486 -11.418 -14.696 1.00 0.00 C ATOM 589 C THR A 39 11.190 -11.252 -13.917 1.00 0.00 C ATOM 590 O THR A 39 10.140 -11.018 -14.489 1.00 0.00 O ATOM 591 CB THR A 39 12.570 -12.885 -15.178 1.00 0.00 C ATOM 592 OG1 THR A 39 11.300 -13.175 -15.741 1.00 0.00 O ATOM 593 CG2 THR A 39 12.683 -13.855 -13.992 1.00 0.00 C ATOM 0 H THR A 39 13.451 -10.498 -13.009 1.00 0.00 H new ATOM 0 HA THR A 39 12.504 -10.741 -15.550 1.00 0.00 H new ATOM 0 HB THR A 39 13.423 -12.995 -15.847 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.291 -14.099 -16.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.740 -14.878 -14.363 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.582 -13.626 -13.419 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.807 -13.750 -13.351 1.00 0.00 H new ATOM 601 N HIS A 40 11.292 -11.408 -12.620 1.00 0.00 N ATOM 602 CA HIS A 40 10.097 -11.269 -11.751 1.00 0.00 C ATOM 603 C HIS A 40 9.597 -9.807 -11.803 1.00 0.00 C ATOM 604 O HIS A 40 10.021 -9.052 -12.651 1.00 0.00 O ATOM 605 CB HIS A 40 10.510 -11.679 -10.331 1.00 0.00 C ATOM 606 CG HIS A 40 11.638 -12.669 -10.409 1.00 0.00 C ATOM 607 ND1 HIS A 40 11.529 -13.885 -10.670 1.00 0.00 N ATOM 608 CD2 HIS A 40 12.941 -12.445 -10.226 1.00 0.00 C ATOM 609 CE1 HIS A 40 12.665 -14.452 -10.667 1.00 0.00 C ATOM 610 NE2 HIS A 40 13.640 -13.598 -10.389 1.00 0.00 N ATOM 0 H HIS A 40 12.159 -11.627 -12.129 1.00 0.00 H new ATOM 0 HA HIS A 40 9.278 -11.907 -12.085 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.819 -10.802 -9.762 1.00 0.00 H new ATOM 0 HB3 HIS A 40 9.662 -12.117 -9.805 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.646 -14.359 -10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 40 13.376 -11.487 -9.984 1.00 0.00 H new ATOM 0 HE1 HIS A 40 12.818 -15.502 -10.867 1.00 0.00 H new ATOM 618 N PRO A 41 8.700 -9.419 -10.908 1.00 0.00 N ATOM 619 CA PRO A 41 8.184 -8.045 -10.900 1.00 0.00 C ATOM 620 C PRO A 41 9.308 -7.014 -11.038 1.00 0.00 C ATOM 621 O PRO A 41 9.068 -5.870 -11.370 1.00 0.00 O ATOM 622 CB PRO A 41 7.501 -7.914 -9.531 1.00 0.00 C ATOM 623 CG PRO A 41 7.291 -9.356 -8.991 1.00 0.00 C ATOM 624 CD PRO A 41 8.154 -10.283 -9.855 1.00 0.00 C ATOM 0 HA PRO A 41 7.511 -7.858 -11.737 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.117 -7.331 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.548 -7.394 -9.623 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.582 -9.422 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.241 -9.641 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.950 -10.742 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.561 -11.094 -10.278 1.00 0.00 H new ATOM 632 N SER A 42 10.510 -7.451 -10.782 1.00 0.00 N ATOM 633 CA SER A 42 11.674 -6.541 -10.884 1.00 0.00 C ATOM 634 C SER A 42 12.970 -7.312 -10.630 1.00 0.00 C ATOM 635 O SER A 42 12.986 -8.529 -10.661 1.00 0.00 O ATOM 636 CB SER A 42 11.525 -5.445 -9.813 1.00 0.00 C ATOM 637 OG SER A 42 12.587 -4.545 -10.085 1.00 0.00 O ATOM 0 H SER A 42 10.732 -8.407 -10.505 1.00 0.00 H new ATOM 0 HA SER A 42 11.712 -6.105 -11.882 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.556 -4.950 -9.882 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.601 -5.858 -8.807 1.00 0.00 H new ATOM 0 HG SER A 42 12.563 -3.807 -9.441 1.00 0.00 H new ATOM 643 N GLU A 43 14.028 -6.590 -10.386 1.00 0.00 N ATOM 644 CA GLU A 43 15.327 -7.247 -10.126 1.00 0.00 C ATOM 645 C GLU A 43 16.118 -6.457 -9.089 1.00 0.00 C ATOM 646 O GLU A 43 15.800 -5.318 -8.793 1.00 0.00 O ATOM 647 CB GLU A 43 16.129 -7.322 -11.449 1.00 0.00 C ATOM 648 CG GLU A 43 15.953 -6.016 -12.244 1.00 0.00 C ATOM 649 CD GLU A 43 14.622 -6.048 -13.005 1.00 0.00 C ATOM 650 OE1 GLU A 43 14.524 -6.882 -13.890 1.00 0.00 O ATOM 651 OE2 GLU A 43 13.778 -5.231 -12.655 1.00 0.00 O ATOM 0 H GLU A 43 14.043 -5.571 -10.357 1.00 0.00 H new ATOM 0 HA GLU A 43 15.153 -8.252 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.185 -7.488 -11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.787 -8.169 -12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.975 -5.162 -11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 43 16.780 -5.891 -12.943 1.00 0.00 H new ATOM 658 N GLY A 44 17.117 -7.084 -8.538 1.00 0.00 N ATOM 659 CA GLY A 44 17.944 -6.386 -7.512 1.00 0.00 C ATOM 660 C GLY A 44 18.655 -7.390 -6.612 1.00 0.00 C ATOM 661 O GLY A 44 19.743 -7.141 -6.172 1.00 0.00 O ATOM 0 H GLY A 44 17.397 -8.042 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.679 -5.748 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.310 -5.736 -6.909 1.00 0.00 H new ATOM 665 N LEU A 45 18.009 -8.507 -6.355 1.00 0.00 N ATOM 666 CA LEU A 45 18.635 -9.545 -5.483 1.00 0.00 C ATOM 667 C LEU A 45 20.052 -9.873 -5.990 1.00 0.00 C ATOM 668 O LEU A 45 20.262 -10.867 -6.659 1.00 0.00 O ATOM 669 CB LEU A 45 17.753 -10.816 -5.549 1.00 0.00 C ATOM 670 CG LEU A 45 16.360 -10.579 -4.884 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.215 -11.528 -3.715 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.217 -9.142 -4.358 1.00 0.00 C ATOM 0 H LEU A 45 17.082 -8.739 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 45 18.709 -9.182 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.616 -11.112 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.261 -11.640 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 45 15.591 -10.749 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.246 -11.374 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.286 -12.556 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.008 -11.338 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.235 -9.017 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.989 -8.949 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.326 -8.440 -5.184 1.00 0.00 H new ATOM 684 N GLU A 46 20.996 -9.026 -5.645 1.00 0.00 N ATOM 685 CA GLU A 46 22.385 -9.242 -6.081 1.00 0.00 C ATOM 686 C GLU A 46 23.399 -9.125 -4.934 1.00 0.00 C ATOM 687 O GLU A 46 23.460 -8.119 -4.266 1.00 0.00 O ATOM 688 CB GLU A 46 22.682 -8.124 -7.095 1.00 0.00 C ATOM 689 CG GLU A 46 23.252 -6.910 -6.348 1.00 0.00 C ATOM 690 CD GLU A 46 23.416 -5.713 -7.294 1.00 0.00 C ATOM 691 OE1 GLU A 46 23.005 -5.850 -8.439 1.00 0.00 O ATOM 692 OE2 GLU A 46 23.938 -4.722 -6.809 1.00 0.00 O ATOM 0 H GLU A 46 20.847 -8.193 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 46 22.481 -10.249 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.393 -8.474 -7.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.772 -7.846 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.590 -6.640 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.216 -7.167 -5.910 1.00 0.00 H new ATOM 699 N GLU A 47 24.165 -10.160 -4.722 1.00 0.00 N ATOM 700 CA GLU A 47 25.189 -10.124 -3.620 1.00 0.00 C ATOM 701 C GLU A 47 24.599 -9.839 -2.232 1.00 0.00 C ATOM 702 O GLU A 47 25.241 -10.104 -1.242 1.00 0.00 O ATOM 703 CB GLU A 47 26.188 -8.998 -3.954 1.00 0.00 C ATOM 704 CG GLU A 47 26.880 -9.313 -5.289 1.00 0.00 C ATOM 705 CD GLU A 47 28.220 -8.579 -5.357 1.00 0.00 C ATOM 706 OE1 GLU A 47 29.176 -9.151 -4.858 1.00 0.00 O ATOM 707 OE2 GLU A 47 28.214 -7.493 -5.907 1.00 0.00 O ATOM 0 H GLU A 47 24.133 -11.028 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 47 25.650 -11.110 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.668 -8.042 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 47 26.929 -8.906 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.037 -10.387 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.244 -9.009 -6.121 1.00 0.00 H new ATOM 714 N ASN A 48 23.407 -9.294 -2.207 1.00 0.00 N ATOM 715 CA ASN A 48 22.702 -8.956 -0.914 1.00 0.00 C ATOM 716 C ASN A 48 21.742 -7.797 -1.204 1.00 0.00 C ATOM 717 O ASN A 48 22.120 -6.647 -1.069 1.00 0.00 O ATOM 718 CB ASN A 48 23.746 -8.466 0.137 1.00 0.00 C ATOM 719 CG ASN A 48 24.595 -7.320 -0.429 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.776 -7.185 -1.613 1.00 0.00 O ATOM 721 ND2 ASN A 48 25.133 -6.473 0.391 1.00 0.00 N ATOM 0 H ASN A 48 22.875 -9.061 -3.045 1.00 0.00 H new ATOM 0 HA ASN A 48 22.176 -9.830 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.232 -8.132 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.393 -9.294 0.427 1.00 0.00 H new ATOM 0 HD21 ASN A 48 25.700 -5.705 0.032 1.00 0.00 H new ATOM 0 HD22 ASN A 48 24.989 -6.574 1.396 1.00 0.00 H new ATOM 728 N TYR A 49 20.505 -8.084 -1.578 1.00 0.00 N ATOM 729 CA TYR A 49 19.610 -6.955 -1.858 1.00 0.00 C ATOM 730 C TYR A 49 18.267 -6.946 -1.183 1.00 0.00 C ATOM 731 O TYR A 49 17.882 -7.834 -0.460 1.00 0.00 O ATOM 732 CB TYR A 49 19.323 -6.970 -3.353 1.00 0.00 C ATOM 733 CG TYR A 49 19.774 -5.648 -3.898 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.110 -5.410 -4.053 1.00 0.00 C ATOM 735 CD2 TYR A 49 18.871 -4.649 -4.153 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.553 -4.168 -4.454 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.305 -3.405 -4.555 1.00 0.00 C ATOM 738 CZ TYR A 49 20.646 -3.152 -4.706 1.00 0.00 C ATOM 739 OH TYR A 49 21.081 -1.900 -5.079 1.00 0.00 O ATOM 0 H TYR A 49 20.110 -9.018 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 49 20.141 -6.085 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 49 19.853 -7.789 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.260 -7.122 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.822 -6.199 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 49 17.814 -4.838 -4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.611 -3.986 -4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.586 -2.624 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 49 20.326 -1.381 -5.427 1.00 0.00 H new ATOM 749 N CYS A 50 17.581 -5.874 -1.491 1.00 0.00 N ATOM 750 CA CYS A 50 16.243 -5.636 -0.965 1.00 0.00 C ATOM 751 C CYS A 50 15.416 -4.918 -2.009 1.00 0.00 C ATOM 752 O CYS A 50 15.576 -3.730 -2.233 1.00 0.00 O ATOM 753 CB CYS A 50 16.379 -4.736 0.233 1.00 0.00 C ATOM 754 SG CYS A 50 16.235 -5.462 1.852 1.00 0.00 S ATOM 0 H CYS A 50 17.924 -5.140 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 50 15.764 -6.579 -0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.351 -4.247 0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 50 15.623 -3.955 0.150 1.00 0.00 H new ATOM 759 N ARG A 51 14.547 -5.643 -2.614 1.00 0.00 N ATOM 760 CA ARG A 51 13.684 -5.028 -3.662 1.00 0.00 C ATOM 761 C ARG A 51 12.341 -5.743 -3.676 1.00 0.00 C ATOM 762 O ARG A 51 11.908 -6.228 -2.644 1.00 0.00 O ATOM 763 CB ARG A 51 14.401 -5.159 -5.040 1.00 0.00 C ATOM 764 CG ARG A 51 14.846 -3.771 -5.529 1.00 0.00 C ATOM 765 CD ARG A 51 13.610 -2.871 -5.734 1.00 0.00 C ATOM 766 NE ARG A 51 13.790 -1.617 -4.933 1.00 0.00 N ATOM 767 CZ ARG A 51 12.856 -0.716 -4.914 1.00 0.00 C ATOM 768 NH1 ARG A 51 11.663 -1.067 -4.579 1.00 0.00 N ATOM 769 NH2 ARG A 51 13.156 0.506 -5.224 1.00 0.00 N ATOM 0 H ARG A 51 14.386 -6.635 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 51 13.513 -3.972 -3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.265 -5.817 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.729 -5.613 -5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.521 -3.318 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.399 -3.864 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.489 -2.630 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.706 -3.393 -5.420 1.00 0.00 H new ATOM 0 HE ARG A 51 14.648 -1.471 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.467 -2.038 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.915 -0.374 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.114 0.747 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.434 1.227 -5.214 1.00 0.00 H new ATOM 783 N ASN A 52 11.683 -5.812 -4.812 1.00 0.00 N ATOM 784 CA ASN A 52 10.378 -6.513 -4.802 1.00 0.00 C ATOM 785 C ASN A 52 10.187 -7.554 -5.929 1.00 0.00 C ATOM 786 O ASN A 52 9.084 -7.735 -6.412 1.00 0.00 O ATOM 787 CB ASN A 52 9.264 -5.462 -4.931 1.00 0.00 C ATOM 788 CG ASN A 52 8.170 -5.729 -3.890 1.00 0.00 C ATOM 789 OD1 ASN A 52 7.014 -5.855 -4.220 1.00 0.00 O ATOM 790 ND2 ASN A 52 8.487 -5.825 -2.634 1.00 0.00 N ATOM 0 H ASN A 52 11.985 -5.427 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 52 10.341 -7.067 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.677 -4.463 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.839 -5.492 -5.934 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.764 -6.005 -1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.459 -5.720 -2.344 1.00 0.00 H new ATOM 797 N PRO A 53 11.242 -8.233 -6.334 1.00 0.00 N ATOM 798 CA PRO A 53 11.115 -9.230 -7.393 1.00 0.00 C ATOM 799 C PRO A 53 10.302 -10.438 -6.896 1.00 0.00 C ATOM 800 O PRO A 53 10.230 -11.456 -7.549 1.00 0.00 O ATOM 801 CB PRO A 53 12.566 -9.655 -7.704 1.00 0.00 C ATOM 802 CG PRO A 53 13.499 -8.896 -6.715 1.00 0.00 C ATOM 803 CD PRO A 53 12.604 -8.038 -5.816 1.00 0.00 C ATOM 0 HA PRO A 53 10.599 -8.839 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.682 -10.733 -7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.823 -9.414 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.082 -9.599 -6.120 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.210 -8.273 -7.258 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.678 -8.349 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.895 -6.988 -5.857 1.00 0.00 H new ATOM 811 N ASP A 54 9.707 -10.286 -5.739 1.00 0.00 N ATOM 812 CA ASP A 54 8.898 -11.390 -5.168 1.00 0.00 C ATOM 813 C ASP A 54 7.387 -11.074 -5.219 1.00 0.00 C ATOM 814 O ASP A 54 6.567 -11.957 -5.058 1.00 0.00 O ATOM 815 CB ASP A 54 9.375 -11.590 -3.715 1.00 0.00 C ATOM 816 CG ASP A 54 8.302 -11.144 -2.722 1.00 0.00 C ATOM 817 OD1 ASP A 54 8.252 -9.945 -2.490 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.605 -12.025 -2.244 1.00 0.00 O ATOM 0 H ASP A 54 9.751 -9.441 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 54 9.035 -12.301 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.616 -12.640 -3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.290 -11.022 -3.547 1.00 0.00 H new ATOM 823 N ASN A 55 7.061 -9.817 -5.453 1.00 0.00 N ATOM 824 CA ASN A 55 5.611 -9.406 -5.525 1.00 0.00 C ATOM 825 C ASN A 55 4.968 -9.230 -4.133 1.00 0.00 C ATOM 826 O ASN A 55 4.204 -10.064 -3.696 1.00 0.00 O ATOM 827 CB ASN A 55 4.828 -10.500 -6.311 1.00 0.00 C ATOM 828 CG ASN A 55 3.701 -9.863 -7.129 1.00 0.00 C ATOM 829 OD1 ASN A 55 2.557 -10.260 -7.055 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.979 -8.880 -7.928 1.00 0.00 N ATOM 0 H ASN A 55 7.731 -9.062 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 55 5.564 -8.439 -6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.507 -11.038 -6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.414 -11.231 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.240 -8.450 -8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.937 -8.536 -8.000 1.00 0.00 H new ATOM 837 N ASP A 56 5.285 -8.143 -3.472 1.00 0.00 N ATOM 838 CA ASP A 56 4.697 -7.907 -2.123 1.00 0.00 C ATOM 839 C ASP A 56 4.208 -6.452 -2.011 1.00 0.00 C ATOM 840 O ASP A 56 4.985 -5.539 -1.789 1.00 0.00 O ATOM 841 CB ASP A 56 5.774 -8.181 -1.048 1.00 0.00 C ATOM 842 CG ASP A 56 5.092 -8.604 0.263 1.00 0.00 C ATOM 843 OD1 ASP A 56 4.046 -9.212 0.159 1.00 0.00 O ATOM 844 OD2 ASP A 56 5.655 -8.293 1.296 1.00 0.00 O ATOM 0 H ASP A 56 5.919 -7.418 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 56 3.849 -8.575 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.451 -8.965 -1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.377 -7.287 -0.885 1.00 0.00 H new ATOM 849 N PRO A 57 2.909 -6.273 -2.182 1.00 0.00 N ATOM 850 CA PRO A 57 2.283 -4.942 -2.107 1.00 0.00 C ATOM 851 C PRO A 57 2.430 -4.303 -0.716 1.00 0.00 C ATOM 852 O PRO A 57 1.477 -4.208 0.037 1.00 0.00 O ATOM 853 CB PRO A 57 0.788 -5.197 -2.420 1.00 0.00 C ATOM 854 CG PRO A 57 0.608 -6.729 -2.632 1.00 0.00 C ATOM 855 CD PRO A 57 1.985 -7.386 -2.452 1.00 0.00 C ATOM 0 HA PRO A 57 2.756 -4.247 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.160 -4.847 -1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.484 -4.648 -3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.106 -7.134 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.212 -6.934 -3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.976 -8.100 -1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.280 -7.935 -3.346 1.00 0.00 H new ATOM 863 N GLN A 58 3.624 -3.866 -0.409 1.00 0.00 N ATOM 864 CA GLN A 58 3.858 -3.234 0.911 1.00 0.00 C ATOM 865 C GLN A 58 5.271 -2.661 1.010 1.00 0.00 C ATOM 866 O GLN A 58 5.457 -1.451 1.039 1.00 0.00 O ATOM 867 CB GLN A 58 3.665 -4.298 2.016 1.00 0.00 C ATOM 868 CG GLN A 58 4.289 -5.637 1.573 1.00 0.00 C ATOM 869 CD GLN A 58 3.224 -6.731 1.628 1.00 0.00 C ATOM 870 OE1 GLN A 58 2.363 -6.819 0.784 1.00 0.00 O ATOM 871 NE2 GLN A 58 3.239 -7.575 2.608 1.00 0.00 N ATOM 0 H GLN A 58 4.441 -3.922 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 58 3.148 -2.416 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.129 -3.960 2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.603 -4.432 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.686 -5.550 0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.126 -5.894 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.961 -7.510 3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.529 -8.305 2.663 1.00 0.00 H new ATOM 880 N GLY A 59 6.248 -3.528 1.050 1.00 0.00 N ATOM 881 CA GLY A 59 7.646 -3.025 1.147 1.00 0.00 C ATOM 882 C GLY A 59 8.645 -3.973 0.482 1.00 0.00 C ATOM 883 O GLY A 59 8.339 -5.105 0.153 1.00 0.00 O ATOM 0 H GLY A 59 6.142 -4.542 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.711 -2.043 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.912 -2.896 2.196 1.00 0.00 H new ATOM 887 N PRO A 60 9.842 -3.450 0.286 1.00 0.00 N ATOM 888 CA PRO A 60 10.928 -4.200 -0.331 1.00 0.00 C ATOM 889 C PRO A 60 11.466 -5.183 0.688 1.00 0.00 C ATOM 890 O PRO A 60 11.934 -4.781 1.750 1.00 0.00 O ATOM 891 CB PRO A 60 12.010 -3.146 -0.642 1.00 0.00 C ATOM 892 CG PRO A 60 11.601 -1.846 0.105 1.00 0.00 C ATOM 893 CD PRO A 60 10.179 -2.072 0.659 1.00 0.00 C ATOM 0 HA PRO A 60 10.618 -4.747 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.990 -3.489 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.080 -2.969 -1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.300 -1.630 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.620 -0.991 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.150 -1.937 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.471 -1.363 0.231 1.00 0.00 H new ATOM 901 N TRP A 61 11.381 -6.431 0.355 1.00 0.00 N ATOM 902 CA TRP A 61 11.875 -7.490 1.277 1.00 0.00 C ATOM 903 C TRP A 61 13.289 -7.906 0.976 1.00 0.00 C ATOM 904 O TRP A 61 13.930 -7.432 0.034 1.00 0.00 O ATOM 905 CB TRP A 61 11.004 -8.744 1.094 1.00 0.00 C ATOM 906 CG TRP A 61 11.405 -9.344 -0.239 1.00 0.00 C ATOM 907 CD1 TRP A 61 11.093 -8.793 -1.386 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.232 -10.367 -0.417 1.00 0.00 C ATOM 909 NE1 TRP A 61 11.770 -9.507 -2.277 1.00 0.00 N ATOM 910 CE2 TRP A 61 12.512 -10.508 -1.758 1.00 0.00 C ATOM 911 CE3 TRP A 61 12.818 -11.241 0.481 1.00 0.00 C ATOM 912 CZ2 TRP A 61 13.359 -11.480 -2.210 1.00 0.00 C ATOM 913 CZ3 TRP A 61 13.675 -12.233 0.021 1.00 0.00 C ATOM 914 CH2 TRP A 61 13.941 -12.347 -1.323 1.00 0.00 C ATOM 0 H TRP A 61 10.988 -6.771 -0.523 1.00 0.00 H new ATOM 0 HA TRP A 61 11.830 -7.081 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.167 -9.453 1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 61 9.945 -8.487 1.103 1.00 0.00 H new ATOM 0 HD1 TRP A 61 10.438 -7.953 -1.565 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.732 -9.314 -3.278 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.610 -11.152 1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.570 -11.565 -3.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.133 -12.916 0.721 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.608 -13.119 -1.679 1.00 0.00 H new ATOM 925 N CYS A 62 13.718 -8.812 1.789 1.00 0.00 N ATOM 926 CA CYS A 62 15.061 -9.367 1.684 1.00 0.00 C ATOM 927 C CYS A 62 15.286 -10.282 2.857 1.00 0.00 C ATOM 928 O CYS A 62 14.704 -10.082 3.912 1.00 0.00 O ATOM 929 CB CYS A 62 16.063 -8.231 1.753 1.00 0.00 C ATOM 930 SG CYS A 62 17.788 -8.669 2.082 1.00 0.00 S ATOM 0 H CYS A 62 13.162 -9.200 2.551 1.00 0.00 H new ATOM 0 HA CYS A 62 15.177 -9.912 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.026 -7.690 0.807 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.736 -7.539 2.529 1.00 0.00 H new ATOM 935 N TYR A 63 16.084 -11.274 2.670 1.00 0.00 N ATOM 936 CA TYR A 63 16.332 -12.191 3.788 1.00 0.00 C ATOM 937 C TYR A 63 17.711 -11.931 4.372 1.00 0.00 C ATOM 938 O TYR A 63 18.463 -11.104 3.879 1.00 0.00 O ATOM 939 CB TYR A 63 16.282 -13.645 3.273 1.00 0.00 C ATOM 940 CG TYR A 63 14.850 -14.187 3.279 1.00 0.00 C ATOM 941 CD1 TYR A 63 13.799 -13.407 2.861 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.601 -15.488 3.670 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.518 -13.918 2.828 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.322 -15.995 3.637 1.00 0.00 C ATOM 945 CZ TYR A 63 12.273 -15.214 3.216 1.00 0.00 C ATOM 946 OH TYR A 63 10.996 -15.722 3.192 1.00 0.00 O ATOM 0 H TYR A 63 16.571 -11.489 1.800 1.00 0.00 H new ATOM 0 HA TYR A 63 15.572 -12.034 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.686 -13.689 2.262 1.00 0.00 H new ATOM 0 HB3 TYR A 63 16.915 -14.276 3.897 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.977 -12.386 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.416 -16.112 4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.701 -13.295 2.495 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.142 -17.014 3.944 1.00 0.00 H new ATOM 0 HH TYR A 63 11.031 -16.698 3.269 1.00 0.00 H new ATOM 956 N THR A 64 18.016 -12.626 5.412 1.00 0.00 N ATOM 957 CA THR A 64 19.340 -12.440 6.045 1.00 0.00 C ATOM 958 C THR A 64 20.039 -13.781 6.140 1.00 0.00 C ATOM 959 O THR A 64 19.434 -14.806 5.915 1.00 0.00 O ATOM 960 CB THR A 64 19.166 -11.823 7.434 1.00 0.00 C ATOM 961 OG1 THR A 64 19.146 -12.910 8.340 1.00 0.00 O ATOM 962 CG2 THR A 64 17.788 -11.143 7.573 1.00 0.00 C ATOM 0 H THR A 64 17.410 -13.316 5.856 1.00 0.00 H new ATOM 0 HA THR A 64 19.948 -11.765 5.442 1.00 0.00 H new ATOM 0 HB THR A 64 19.957 -11.094 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.229 -13.242 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.693 -10.714 8.570 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.695 -10.353 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.001 -11.881 7.419 1.00 0.00 H new ATOM 970 N THR A 65 21.289 -13.764 6.461 1.00 0.00 N ATOM 971 CA THR A 65 22.032 -15.056 6.566 1.00 0.00 C ATOM 972 C THR A 65 21.529 -15.938 7.698 1.00 0.00 C ATOM 973 O THR A 65 22.103 -16.984 7.948 1.00 0.00 O ATOM 974 CB THR A 65 23.505 -14.739 6.847 1.00 0.00 C ATOM 975 OG1 THR A 65 23.495 -13.962 8.024 1.00 0.00 O ATOM 976 CG2 THR A 65 24.087 -13.804 5.779 1.00 0.00 C ATOM 0 H THR A 65 21.835 -12.925 6.656 1.00 0.00 H new ATOM 0 HA THR A 65 21.887 -15.593 5.629 1.00 0.00 H new ATOM 0 HB THR A 65 24.077 -15.666 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.390 -14.548 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.133 -13.598 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.015 -14.280 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.527 -12.869 5.770 1.00 0.00 H new ATOM 984 N ASP A 66 20.463 -15.543 8.347 1.00 0.00 N ATOM 985 CA ASP A 66 19.968 -16.391 9.453 1.00 0.00 C ATOM 986 C ASP A 66 18.429 -16.579 9.488 1.00 0.00 C ATOM 987 O ASP A 66 17.671 -15.676 9.219 1.00 0.00 O ATOM 988 CB ASP A 66 20.401 -15.687 10.727 1.00 0.00 C ATOM 989 CG ASP A 66 21.832 -16.094 11.064 1.00 0.00 C ATOM 990 OD1 ASP A 66 22.710 -15.605 10.363 1.00 0.00 O ATOM 991 OD2 ASP A 66 21.968 -16.866 11.995 1.00 0.00 O ATOM 0 H ASP A 66 19.932 -14.692 8.161 1.00 0.00 H new ATOM 0 HA ASP A 66 20.376 -17.394 9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.338 -14.606 10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.733 -15.950 11.547 1.00 0.00 H new ATOM 996 N PRO A 67 18.038 -17.799 9.845 1.00 0.00 N ATOM 997 CA PRO A 67 16.620 -18.217 9.952 1.00 0.00 C ATOM 998 C PRO A 67 15.799 -17.356 10.939 1.00 0.00 C ATOM 999 O PRO A 67 14.831 -16.745 10.552 1.00 0.00 O ATOM 1000 CB PRO A 67 16.689 -19.669 10.485 1.00 0.00 C ATOM 1001 CG PRO A 67 18.190 -19.996 10.741 1.00 0.00 C ATOM 1002 CD PRO A 67 19.008 -18.848 10.136 1.00 0.00 C ATOM 0 HA PRO A 67 16.122 -18.112 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.111 -19.769 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.262 -20.365 9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.388 -20.090 11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.461 -20.947 10.282 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.770 -18.498 10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.526 -19.167 9.232 1.00 0.00 H new ATOM 1010 N GLU A 68 16.184 -17.340 12.200 1.00 0.00 N ATOM 1011 CA GLU A 68 15.409 -16.512 13.197 1.00 0.00 C ATOM 1012 C GLU A 68 15.114 -15.126 12.621 1.00 0.00 C ATOM 1013 O GLU A 68 14.051 -14.565 12.817 1.00 0.00 O ATOM 1014 CB GLU A 68 16.265 -16.355 14.466 1.00 0.00 C ATOM 1015 CG GLU A 68 15.968 -17.521 15.422 1.00 0.00 C ATOM 1016 CD GLU A 68 17.168 -17.740 16.345 1.00 0.00 C ATOM 1017 OE1 GLU A 68 18.077 -18.419 15.895 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.107 -17.217 17.445 1.00 0.00 O ATOM 0 H GLU A 68 16.982 -17.851 12.578 1.00 0.00 H new ATOM 0 HA GLU A 68 14.465 -17.007 13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.323 -16.342 14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.045 -15.405 14.953 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.077 -17.305 16.011 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.762 -18.428 14.854 1.00 0.00 H new ATOM 1025 N LYS A 69 16.080 -14.624 11.925 1.00 0.00 N ATOM 1026 CA LYS A 69 15.967 -13.291 11.289 1.00 0.00 C ATOM 1027 C LYS A 69 16.016 -13.490 9.787 1.00 0.00 C ATOM 1028 O LYS A 69 16.617 -12.732 9.078 1.00 0.00 O ATOM 1029 CB LYS A 69 17.199 -12.475 11.720 1.00 0.00 C ATOM 1030 CG LYS A 69 18.475 -13.228 11.278 1.00 0.00 C ATOM 1031 CD LYS A 69 19.717 -12.532 11.881 1.00 0.00 C ATOM 1032 CE LYS A 69 19.720 -11.039 11.517 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.373 -10.849 10.076 1.00 0.00 N ATOM 0 H LYS A 69 16.971 -15.094 11.764 1.00 0.00 H new ATOM 0 HA LYS A 69 15.046 -12.783 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.171 -11.483 11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.199 -12.334 12.801 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.430 -14.266 11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.544 -13.241 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.718 -12.649 12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.625 -13.006 11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 69 19.005 -10.505 12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.702 -10.612 11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.843 -9.994 9.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.691 -11.675 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.343 -10.745 9.978 1.00 0.00 H new ATOM 1047 N ARG A 70 15.360 -14.510 9.341 1.00 0.00 N ATOM 1048 CA ARG A 70 15.347 -14.802 7.891 1.00 0.00 C ATOM 1049 C ARG A 70 14.917 -13.636 7.017 1.00 0.00 C ATOM 1050 O ARG A 70 15.448 -13.488 5.948 1.00 0.00 O ATOM 1051 CB ARG A 70 14.416 -15.994 7.637 1.00 0.00 C ATOM 1052 CG ARG A 70 13.008 -15.506 7.284 1.00 0.00 C ATOM 1053 CD ARG A 70 12.176 -16.718 6.864 1.00 0.00 C ATOM 1054 NE ARG A 70 11.175 -16.297 5.829 1.00 0.00 N ATOM 1055 CZ ARG A 70 9.917 -16.300 6.109 1.00 0.00 C ATOM 1056 NH1 ARG A 70 9.403 -17.344 6.654 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.220 -15.263 5.816 1.00 0.00 N ATOM 0 H ARG A 70 14.828 -15.160 9.920 1.00 0.00 H new ATOM 0 HA ARG A 70 16.377 -15.021 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.810 -16.605 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.377 -16.628 8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.552 -15.009 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.050 -14.775 6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.824 -17.498 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.666 -17.141 7.729 1.00 0.00 H new ATOM 0 HE ARG A 70 11.490 -16.008 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.989 -18.153 6.858 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.409 -17.363 6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.664 -14.459 5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.223 -15.242 6.028 1.00 0.00 H new ATOM 1071 N TYR A 71 13.992 -12.808 7.454 1.00 0.00 N ATOM 1072 CA TYR A 71 13.615 -11.693 6.548 1.00 0.00 C ATOM 1073 C TYR A 71 12.678 -10.627 7.131 1.00 0.00 C ATOM 1074 O TYR A 71 12.284 -10.650 8.281 1.00 0.00 O ATOM 1075 CB TYR A 71 12.896 -12.320 5.330 1.00 0.00 C ATOM 1076 CG TYR A 71 11.375 -12.370 5.577 1.00 0.00 C ATOM 1077 CD1 TYR A 71 10.870 -12.807 6.787 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.490 -11.972 4.593 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.509 -12.844 7.007 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.127 -12.011 4.817 1.00 0.00 C ATOM 1081 CZ TYR A 71 8.630 -12.447 6.025 1.00 0.00 C ATOM 1082 OH TYR A 71 7.272 -12.492 6.246 1.00 0.00 O ATOM 0 H TYR A 71 13.509 -12.855 8.351 1.00 0.00 H new ATOM 0 HA TYR A 71 14.544 -11.171 6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.107 -11.737 4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.276 -13.326 5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.547 -13.122 7.567 1.00 0.00 H new ATOM 0 HD2 TYR A 71 10.867 -11.628 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.130 -13.187 7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.447 -11.697 4.039 1.00 0.00 H new ATOM 0 HH TYR A 71 6.800 -12.175 5.448 1.00 0.00 H new ATOM 1092 N ASP A 72 12.361 -9.725 6.230 1.00 0.00 N ATOM 1093 CA ASP A 72 11.462 -8.556 6.485 1.00 0.00 C ATOM 1094 C ASP A 72 11.635 -7.592 5.296 1.00 0.00 C ATOM 1095 O ASP A 72 12.277 -7.947 4.321 1.00 0.00 O ATOM 1096 CB ASP A 72 11.869 -7.833 7.802 1.00 0.00 C ATOM 1097 CG ASP A 72 10.628 -7.192 8.454 1.00 0.00 C ATOM 1098 OD1 ASP A 72 9.733 -6.831 7.702 1.00 0.00 O ATOM 1099 OD2 ASP A 72 10.649 -7.091 9.668 1.00 0.00 O ATOM 0 H ASP A 72 12.713 -9.758 5.273 1.00 0.00 H new ATOM 0 HA ASP A 72 10.428 -8.884 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.326 -8.543 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.616 -7.068 7.591 1.00 0.00 H new ATOM 1104 N TYR A 73 11.072 -6.418 5.365 1.00 0.00 N ATOM 1105 CA TYR A 73 11.239 -5.474 4.212 1.00 0.00 C ATOM 1106 C TYR A 73 12.602 -4.841 4.273 1.00 0.00 C ATOM 1107 O TYR A 73 13.581 -5.524 4.439 1.00 0.00 O ATOM 1108 CB TYR A 73 10.141 -4.407 4.291 1.00 0.00 C ATOM 1109 CG TYR A 73 8.860 -5.150 4.211 1.00 0.00 C ATOM 1110 CD1 TYR A 73 8.586 -5.885 3.098 1.00 0.00 C ATOM 1111 CD2 TYR A 73 8.014 -5.211 5.291 1.00 0.00 C ATOM 1112 CE1 TYR A 73 7.499 -6.677 3.056 1.00 0.00 C ATOM 1113 CE2 TYR A 73 6.912 -6.014 5.246 1.00 0.00 C ATOM 1114 CZ TYR A 73 6.652 -6.751 4.127 1.00 0.00 C ATOM 1115 OH TYR A 73 5.552 -7.574 4.067 1.00 0.00 O ATOM 0 H TYR A 73 10.516 -6.072 6.147 1.00 0.00 H new ATOM 0 HA TYR A 73 11.153 -6.009 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.209 -3.842 5.220 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.231 -3.690 3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.245 -5.832 2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.221 -4.625 6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.294 -7.259 2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.246 -6.066 6.095 1.00 0.00 H new ATOM 0 HH TYR A 73 5.620 -8.154 3.280 1.00 0.00 H new ATOM 1125 N CYS A 74 12.666 -3.573 4.085 1.00 0.00 N ATOM 1126 CA CYS A 74 13.998 -2.897 4.148 1.00 0.00 C ATOM 1127 C CYS A 74 13.860 -1.427 4.467 1.00 0.00 C ATOM 1128 O CYS A 74 12.925 -0.779 4.033 1.00 0.00 O ATOM 1129 CB CYS A 74 14.745 -3.082 2.852 1.00 0.00 C ATOM 1130 SG CYS A 74 16.367 -3.847 3.013 1.00 0.00 S ATOM 0 H CYS A 74 11.871 -2.965 3.891 1.00 0.00 H new ATOM 0 HA CYS A 74 14.566 -3.362 4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.137 -3.691 2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 74 14.864 -2.109 2.376 1.00 0.00 H new ATOM 1135 N ASP A 75 14.799 -0.920 5.223 1.00 0.00 N ATOM 1136 CA ASP A 75 14.757 0.490 5.592 1.00 0.00 C ATOM 1137 C ASP A 75 15.153 1.434 4.409 1.00 0.00 C ATOM 1138 O ASP A 75 15.971 2.328 4.530 1.00 0.00 O ATOM 1139 CB ASP A 75 15.676 0.632 6.844 1.00 0.00 C ATOM 1140 CG ASP A 75 17.061 1.155 6.484 1.00 0.00 C ATOM 1141 OD1 ASP A 75 17.671 0.544 5.615 1.00 0.00 O ATOM 1142 OD2 ASP A 75 17.447 2.127 7.111 1.00 0.00 O ATOM 0 H ASP A 75 15.592 -1.442 5.594 1.00 0.00 H new ATOM 0 HA ASP A 75 13.742 0.807 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.209 1.308 7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.771 -0.337 7.335 1.00 0.00 H new ATOM 1147 N ILE A 76 14.519 1.202 3.278 1.00 0.00 N ATOM 1148 CA ILE A 76 14.792 2.023 2.071 1.00 0.00 C ATOM 1149 C ILE A 76 13.990 3.328 2.152 1.00 0.00 C ATOM 1150 O ILE A 76 12.889 3.336 2.668 1.00 0.00 O ATOM 1151 CB ILE A 76 14.345 1.212 0.836 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.534 0.425 0.283 1.00 0.00 C ATOM 1153 CG2 ILE A 76 13.847 2.178 -0.261 1.00 0.00 C ATOM 1154 CD1 ILE A 76 15.031 -0.622 -0.702 1.00 0.00 C ATOM 0 H ILE A 76 13.820 0.470 3.149 1.00 0.00 H new ATOM 0 HA ILE A 76 15.852 2.265 2.001 1.00 0.00 H new ATOM 0 HB ILE A 76 13.547 0.530 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.233 1.100 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.077 -0.056 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.531 1.606 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.004 2.756 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.653 2.855 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.876 -1.185 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.349 -1.303 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.508 -0.129 -1.521 1.00 0.00 H new ATOM 1166 N LEU A 77 14.548 4.406 1.650 1.00 0.00 N ATOM 1167 CA LEU A 77 13.805 5.703 1.707 1.00 0.00 C ATOM 1168 C LEU A 77 12.382 5.571 1.137 1.00 0.00 C ATOM 1169 O LEU A 77 11.979 4.505 0.695 1.00 0.00 O ATOM 1170 CB LEU A 77 14.590 6.761 0.903 1.00 0.00 C ATOM 1171 CG LEU A 77 14.593 6.401 -0.589 1.00 0.00 C ATOM 1172 CD1 LEU A 77 14.433 7.685 -1.408 1.00 0.00 C ATOM 1173 CD2 LEU A 77 15.927 5.750 -0.946 1.00 0.00 C ATOM 0 H LEU A 77 15.468 4.443 1.212 1.00 0.00 H new ATOM 0 HA LEU A 77 13.715 6.003 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.141 7.744 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.614 6.822 1.272 1.00 0.00 H new ATOM 0 HG LEU A 77 13.776 5.713 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.434 7.441 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.491 8.168 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.260 8.361 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.934 5.492 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.739 6.446 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.061 4.846 -0.352 1.00 0.00 H new