USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.163 K(o=-1.4,f=-13!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.59 K(o=-1.4,f=-5.3!) USER MOD Set 2.1: A 47 SER OG : rot 102:sc= 0.938 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -0.826 K(o=0.11,f=-1.6) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -1.24 USER MOD Set 3.2: A 56 GLN : amide:sc= 0.441 K(o=-0.8,f=-4.2!) USER MOD Single : A 7 ASN : amide:sc= -0.894 K(o=-0.89,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0649 (180deg=-0.42) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 120:sc= -0.0674 USER MOD Single : A 14 MET CE :methyl 152:sc= -1.42 (180deg=-3.19!) USER MOD Single : A 15 ASN : amide:sc= 0.917 K(o=0.92,f=-1.2) USER MOD Single : A 22 ASN : amide:sc= 0.831 K(o=0.83,f=-0.077) USER MOD Single : A 24 ASN : amide:sc= -1.81 K(o=-1.8,f=-7.3!) USER MOD Single : A 25 THR OG1 : rot -13:sc= 1.03 USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= 0.858 (180deg=-0.0151) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 38 SER OG : rot -34:sc= 0.444 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 1.02 (180deg=0.822) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 32:sc= 0.0603 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0.343 (180deg=0.312) USER MOD Single : A 57 TYR OH : rot -23:sc= 0.846 USER MOD Single : A 74 MET CE :methyl -136:sc= -0.0573 (180deg=-0.832) USER MOD Single : A 78 GLN : amide:sc= -1.46 K(o=-1.5,f=0) USER MOD Single : A 83 ASN : amide:sc= 0.481 K(o=0.48,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -3.975 11.725 6.501 1.00 0.00 N ATOM 68 CA ASN A 7 -4.533 11.658 7.849 1.00 0.00 C ATOM 69 C ASN A 7 -5.227 12.948 8.296 1.00 0.00 C ATOM 70 O ASN A 7 -5.434 13.152 9.491 1.00 0.00 O ATOM 71 CB ASN A 7 -3.484 11.139 8.840 1.00 0.00 C ATOM 72 CG ASN A 7 -2.432 12.168 9.240 1.00 0.00 C ATOM 73 OD1 ASN A 7 -2.494 13.333 8.863 1.00 0.00 O ATOM 74 ND2 ASN A 7 -1.451 11.728 10.017 1.00 0.00 N ATOM 0 HA ASN A 7 -5.344 10.930 7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.992 10.789 9.738 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.983 10.276 8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.715 12.366 10.320 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.432 10.751 10.311 1.00 0.00 H new ATOM 81 N LYS A 8 -5.586 13.820 7.346 1.00 0.00 N ATOM 82 CA LYS A 8 -6.294 15.061 7.640 1.00 0.00 C ATOM 83 C LYS A 8 -7.674 14.748 8.212 1.00 0.00 C ATOM 84 O LYS A 8 -8.204 13.654 8.010 1.00 0.00 O ATOM 85 CB LYS A 8 -6.419 15.909 6.370 1.00 0.00 C ATOM 86 CG LYS A 8 -5.174 16.747 6.040 1.00 0.00 C ATOM 87 CD LYS A 8 -3.880 15.939 5.899 1.00 0.00 C ATOM 88 CE LYS A 8 -3.179 15.724 7.245 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.696 16.995 7.816 1.00 0.00 N ATOM 0 H LYS A 8 -5.392 13.681 6.354 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.729 15.628 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.632 15.251 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.274 16.577 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.352 17.288 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.037 17.494 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.105 14.971 5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.204 16.456 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.869 15.250 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.339 15.041 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.933 16.802 8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.335 17.603 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.479 17.477 8.302 1.00 0.00 H new ATOM 103 N THR A 9 -8.260 15.710 8.928 1.00 0.00 N ATOM 104 CA THR A 9 -9.519 15.507 9.642 1.00 0.00 C ATOM 105 C THR A 9 -10.534 16.607 9.340 1.00 0.00 C ATOM 106 O THR A 9 -11.412 16.885 10.157 1.00 0.00 O ATOM 107 CB THR A 9 -9.267 15.373 11.151 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.604 16.518 11.642 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.412 14.143 11.443 1.00 0.00 C ATOM 0 H THR A 9 -7.875 16.649 9.028 1.00 0.00 H new ATOM 0 HA THR A 9 -9.955 14.574 9.284 1.00 0.00 H new ATOM 0 HB THR A 9 -10.233 15.270 11.646 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.451 16.420 12.605 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.243 14.064 12.517 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.927 13.250 11.090 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.454 14.236 10.931 1.00 0.00 H new ATOM 117 N ASP A 10 -10.423 17.238 8.170 1.00 0.00 N ATOM 118 CA ASP A 10 -11.323 18.305 7.763 1.00 0.00 C ATOM 119 C ASP A 10 -12.703 17.751 7.415 1.00 0.00 C ATOM 120 O ASP A 10 -12.844 16.562 7.117 1.00 0.00 O ATOM 121 CB ASP A 10 -10.708 19.073 6.590 1.00 0.00 C ATOM 122 CG ASP A 10 -9.374 19.703 6.984 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.410 20.805 7.576 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.330 19.081 6.691 1.00 0.00 O ATOM 0 H ASP A 10 -9.704 17.019 7.481 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.459 18.997 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.560 18.398 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.397 19.850 6.259 1.00 0.00 H new ATOM 129 N PRO A 11 -13.734 18.610 7.452 1.00 0.00 N ATOM 130 CA PRO A 11 -15.126 18.218 7.296 1.00 0.00 C ATOM 131 C PRO A 11 -15.448 17.639 5.920 1.00 0.00 C ATOM 132 O PRO A 11 -16.542 17.114 5.723 1.00 0.00 O ATOM 133 CB PRO A 11 -15.939 19.489 7.556 1.00 0.00 C ATOM 134 CG PRO A 11 -14.984 20.419 8.295 1.00 0.00 C ATOM 135 CD PRO A 11 -13.638 20.035 7.697 1.00 0.00 C ATOM 0 HA PRO A 11 -15.366 17.414 7.992 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.283 19.936 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.825 19.276 8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.222 21.469 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.012 20.259 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.444 20.583 6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.821 20.264 8.381 1.00 0.00 H new ATOM 143 N ARG A 12 -14.511 17.727 4.969 1.00 0.00 N ATOM 144 CA ARG A 12 -14.711 17.188 3.629 1.00 0.00 C ATOM 145 C ARG A 12 -13.578 16.264 3.201 1.00 0.00 C ATOM 146 O ARG A 12 -13.706 15.584 2.188 1.00 0.00 O ATOM 147 CB ARG A 12 -14.943 18.334 2.640 1.00 0.00 C ATOM 148 CG ARG A 12 -13.734 19.258 2.442 1.00 0.00 C ATOM 149 CD ARG A 12 -12.731 18.703 1.424 1.00 0.00 C ATOM 150 NE ARG A 12 -11.628 19.647 1.208 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.779 19.590 0.179 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.893 18.648 -0.752 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.799 20.485 0.079 1.00 0.00 N ATOM 0 H ARG A 12 -13.603 18.170 5.109 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.603 16.562 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.224 17.913 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.787 18.930 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.080 20.237 2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.232 19.405 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.336 17.751 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.237 18.506 0.479 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.502 20.396 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.638 17.954 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.236 18.619 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.698 21.212 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.149 20.444 -0.706 1.00 0.00 H new ATOM 167 N SER A 13 -12.475 16.231 3.954 1.00 0.00 N ATOM 168 CA SER A 13 -11.363 15.338 3.646 1.00 0.00 C ATOM 169 C SER A 13 -11.562 13.985 4.323 1.00 0.00 C ATOM 170 O SER A 13 -11.008 12.981 3.881 1.00 0.00 O ATOM 171 CB SER A 13 -10.032 15.974 4.041 1.00 0.00 C ATOM 172 OG SER A 13 -9.923 16.045 5.445 1.00 0.00 O ATOM 0 H SER A 13 -12.332 16.813 4.779 1.00 0.00 H new ATOM 0 HA SER A 13 -11.338 15.171 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.207 15.390 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.957 16.973 3.612 1.00 0.00 H new ATOM 0 HG SER A 13 -9.140 15.534 5.739 1.00 0.00 H new ATOM 178 N MET A 14 -12.356 13.957 5.399 1.00 0.00 N ATOM 179 CA MET A 14 -12.693 12.723 6.096 1.00 0.00 C ATOM 180 C MET A 14 -13.697 11.890 5.300 1.00 0.00 C ATOM 181 O MET A 14 -13.885 10.713 5.598 1.00 0.00 O ATOM 182 CB MET A 14 -13.284 13.080 7.463 1.00 0.00 C ATOM 183 CG MET A 14 -12.170 13.428 8.447 1.00 0.00 C ATOM 184 SD MET A 14 -11.857 12.181 9.729 1.00 0.00 S ATOM 185 CE MET A 14 -11.903 10.650 8.759 1.00 0.00 C ATOM 0 H MET A 14 -12.780 14.791 5.806 1.00 0.00 H new ATOM 0 HA MET A 14 -11.788 12.127 6.215 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.967 13.924 7.363 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.867 12.242 7.845 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.249 13.590 7.887 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.417 14.372 8.933 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.274 9.898 9.236 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.928 10.284 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.535 10.846 7.752 1.00 0.00 H new ATOM 195 N ASN A 15 -14.338 12.494 4.296 1.00 0.00 N ATOM 196 CA ASN A 15 -15.297 11.805 3.447 1.00 0.00 C ATOM 197 C ASN A 15 -14.889 11.850 1.976 1.00 0.00 C ATOM 198 O ASN A 15 -15.637 11.394 1.119 1.00 0.00 O ATOM 199 CB ASN A 15 -16.714 12.328 3.690 1.00 0.00 C ATOM 200 CG ASN A 15 -16.759 13.843 3.787 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.964 14.537 2.795 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.564 14.359 4.995 1.00 0.00 N ATOM 0 H ASN A 15 -14.202 13.475 4.054 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.297 10.750 3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.365 11.998 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.106 11.895 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.581 15.370 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.397 13.744 5.791 1.00 0.00 H new ATOM 209 N SER A 16 -13.704 12.394 1.680 1.00 0.00 N ATOM 210 CA SER A 16 -13.107 12.321 0.355 1.00 0.00 C ATOM 211 C SER A 16 -11.941 11.338 0.380 1.00 0.00 C ATOM 212 O SER A 16 -11.114 11.311 -0.529 1.00 0.00 O ATOM 213 CB SER A 16 -12.676 13.708 -0.122 1.00 0.00 C ATOM 214 OG SER A 16 -11.568 14.153 0.621 1.00 0.00 O ATOM 0 H SER A 16 -13.135 12.898 2.360 1.00 0.00 H new ATOM 0 HA SER A 16 -13.846 11.957 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.423 13.674 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.502 14.411 -0.014 1.00 0.00 H new ATOM 0 HG SER A 16 -11.299 15.041 0.307 1.00 0.00 H new ATOM 220 N ARG A 17 -11.873 10.526 1.439 1.00 0.00 N ATOM 221 CA ARG A 17 -10.792 9.579 1.663 1.00 0.00 C ATOM 222 C ARG A 17 -11.333 8.154 1.724 1.00 0.00 C ATOM 223 O ARG A 17 -12.488 7.935 2.084 1.00 0.00 O ATOM 224 CB ARG A 17 -10.063 9.983 2.940 1.00 0.00 C ATOM 225 CG ARG A 17 -8.831 9.114 3.140 1.00 0.00 C ATOM 226 CD ARG A 17 -7.893 9.802 4.114 1.00 0.00 C ATOM 227 NE ARG A 17 -8.486 9.939 5.441 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.598 11.097 6.102 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.327 12.260 5.523 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.989 11.094 7.367 1.00 0.00 N ATOM 0 H ARG A 17 -12.582 10.513 2.173 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.083 9.600 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.772 11.032 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.731 9.882 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.119 8.135 3.523 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.329 8.948 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.966 9.233 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.632 10.788 3.730 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.838 9.096 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.024 12.287 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.421 13.127 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.203 10.212 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.076 11.974 7.876 1.00 0.00 H new ATOM 244 N VAL A 18 -10.482 7.189 1.372 1.00 0.00 N ATOM 245 CA VAL A 18 -10.834 5.781 1.312 1.00 0.00 C ATOM 246 C VAL A 18 -9.994 4.993 2.309 1.00 0.00 C ATOM 247 O VAL A 18 -8.783 5.180 2.384 1.00 0.00 O ATOM 248 CB VAL A 18 -10.577 5.254 -0.104 1.00 0.00 C ATOM 249 CG1 VAL A 18 -11.049 3.809 -0.233 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.287 6.103 -1.152 1.00 0.00 C ATOM 0 H VAL A 18 -9.512 7.374 1.117 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.888 5.662 1.562 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.502 5.307 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.858 3.453 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.509 3.185 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.118 3.755 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.083 5.701 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.361 6.086 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.925 7.130 -1.095 1.00 0.00 H new ATOM 260 N PHE A 19 -10.647 4.112 3.069 1.00 0.00 N ATOM 261 CA PHE A 19 -9.976 3.163 3.940 1.00 0.00 C ATOM 262 C PHE A 19 -9.905 1.830 3.203 1.00 0.00 C ATOM 263 O PHE A 19 -10.885 1.421 2.585 1.00 0.00 O ATOM 264 CB PHE A 19 -10.747 3.044 5.254 1.00 0.00 C ATOM 265 CG PHE A 19 -10.212 1.985 6.196 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.840 1.928 6.492 1.00 0.00 C ATOM 267 CD2 PHE A 19 -11.088 1.058 6.777 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.351 0.949 7.365 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.595 0.080 7.653 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.226 0.025 7.950 1.00 0.00 C ATOM 0 H PHE A 19 -11.664 4.042 3.093 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.966 3.491 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.728 4.008 5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.790 2.822 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.162 2.640 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.143 1.097 6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.295 0.906 7.588 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.272 -0.633 8.100 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.848 -0.727 8.627 1.00 0.00 H new ATOM 280 N ILE A 20 -8.758 1.155 3.259 1.00 0.00 N ATOM 281 CA ILE A 20 -8.551 -0.113 2.566 1.00 0.00 C ATOM 282 C ILE A 20 -7.995 -1.117 3.564 1.00 0.00 C ATOM 283 O ILE A 20 -6.791 -1.156 3.801 1.00 0.00 O ATOM 284 CB ILE A 20 -7.583 0.090 1.394 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.092 1.187 0.450 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.416 -1.233 0.637 1.00 0.00 C ATOM 287 CD1 ILE A 20 -7.010 1.603 -0.547 1.00 0.00 C ATOM 0 H ILE A 20 -7.946 1.473 3.787 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.492 -0.488 2.163 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.616 0.407 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.969 0.829 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.407 2.053 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.728 -1.091 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.017 -1.990 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.384 -1.559 0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.400 2.382 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.144 1.984 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.714 0.740 -1.144 1.00 0.00 H new ATOM 299 N GLY A 21 -8.873 -1.928 4.151 1.00 0.00 N ATOM 300 CA GLY A 21 -8.496 -2.886 5.180 1.00 0.00 C ATOM 301 C GLY A 21 -8.307 -4.300 4.635 1.00 0.00 C ATOM 302 O GLY A 21 -8.617 -4.574 3.478 1.00 0.00 O ATOM 0 H GLY A 21 -9.867 -1.937 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.571 -2.558 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.263 -2.900 5.955 1.00 0.00 H new ATOM 306 N ASN A 22 -7.793 -5.188 5.489 1.00 0.00 N ATOM 307 CA ASN A 22 -7.558 -6.596 5.191 1.00 0.00 C ATOM 308 C ASN A 22 -6.655 -6.802 3.966 1.00 0.00 C ATOM 309 O ASN A 22 -6.635 -7.880 3.373 1.00 0.00 O ATOM 310 CB ASN A 22 -8.898 -7.331 5.095 1.00 0.00 C ATOM 311 CG ASN A 22 -8.748 -8.837 5.294 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.650 -9.306 6.424 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.727 -9.601 4.209 1.00 0.00 N ATOM 0 H ASN A 22 -7.521 -4.934 6.439 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.996 -7.037 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.582 -6.934 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.347 -7.138 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.627 -10.612 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.811 -9.177 3.285 1.00 0.00 H new ATOM 320 N LEU A 23 -5.900 -5.769 3.576 1.00 0.00 N ATOM 321 CA LEU A 23 -5.027 -5.827 2.415 1.00 0.00 C ATOM 322 C LEU A 23 -3.826 -6.731 2.714 1.00 0.00 C ATOM 323 O LEU A 23 -3.432 -6.865 3.872 1.00 0.00 O ATOM 324 CB LEU A 23 -4.624 -4.393 2.046 1.00 0.00 C ATOM 325 CG LEU A 23 -3.791 -4.286 0.765 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.518 -4.880 -0.439 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.523 -2.811 0.483 1.00 0.00 C ATOM 0 H LEU A 23 -5.882 -4.872 4.062 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.535 -6.265 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.526 -3.792 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.057 -3.963 2.872 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.866 -4.843 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.892 -4.783 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.726 -5.934 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.456 -4.347 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.930 -2.716 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.470 -2.287 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.977 -2.374 1.319 1.00 0.00 H new ATOM 339 N ASN A 24 -3.249 -7.352 1.678 1.00 0.00 N ATOM 340 CA ASN A 24 -2.146 -8.295 1.840 1.00 0.00 C ATOM 341 C ASN A 24 -0.896 -7.609 2.392 1.00 0.00 C ATOM 342 O ASN A 24 -0.225 -8.152 3.264 1.00 0.00 O ATOM 343 CB ASN A 24 -1.846 -8.960 0.494 1.00 0.00 C ATOM 344 CG ASN A 24 -1.304 -7.969 -0.524 1.00 0.00 C ATOM 345 OD1 ASN A 24 -1.866 -6.896 -0.723 1.00 0.00 O ATOM 346 ND2 ASN A 24 -0.204 -8.317 -1.177 1.00 0.00 N ATOM 0 H ASN A 24 -3.535 -7.213 0.709 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.443 -9.054 2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.123 -9.762 0.639 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.756 -9.418 0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.200 -7.685 -1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.238 -9.216 -0.988 1.00 0.00 H new ATOM 353 N THR A 25 -0.595 -6.411 1.875 1.00 0.00 N ATOM 354 CA THR A 25 0.504 -5.544 2.295 1.00 0.00 C ATOM 355 C THR A 25 1.887 -6.197 2.321 1.00 0.00 C ATOM 356 O THR A 25 2.830 -5.594 2.832 1.00 0.00 O ATOM 357 CB THR A 25 0.166 -4.839 3.610 1.00 0.00 C ATOM 358 OG1 THR A 25 0.156 -5.761 4.675 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.212 -4.193 3.508 1.00 0.00 C ATOM 0 H THR A 25 -1.140 -6.004 1.115 1.00 0.00 H new ATOM 0 HA THR A 25 0.596 -4.796 1.507 1.00 0.00 H new ATOM 0 HB THR A 25 0.924 -4.078 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.154 -6.674 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.449 -3.692 4.446 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.213 -3.465 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.960 -4.960 3.307 1.00 0.00 H new ATOM 367 N LEU A 26 2.034 -7.415 1.783 1.00 0.00 N ATOM 368 CA LEU A 26 3.343 -8.050 1.655 1.00 0.00 C ATOM 369 C LEU A 26 3.865 -7.959 0.222 1.00 0.00 C ATOM 370 O LEU A 26 5.061 -8.139 -0.008 1.00 0.00 O ATOM 371 CB LEU A 26 3.298 -9.527 2.057 1.00 0.00 C ATOM 372 CG LEU A 26 2.718 -9.841 3.438 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.218 -11.235 3.814 1.00 0.00 C ATOM 374 CD2 LEU A 26 3.141 -8.849 4.519 1.00 0.00 C ATOM 0 H LEU A 26 1.259 -7.977 1.431 1.00 0.00 H new ATOM 0 HA LEU A 26 4.011 -7.512 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.714 -10.066 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.313 -9.923 2.015 1.00 0.00 H new ATOM 0 HG LEU A 26 1.631 -9.777 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.831 -11.508 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.873 -11.957 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.308 -11.236 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.692 -9.134 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.227 -8.855 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.806 -7.848 4.246 1.00 0.00 H new ATOM 386 N VAL A 27 2.979 -7.685 -0.740 1.00 0.00 N ATOM 387 CA VAL A 27 3.333 -7.656 -2.153 1.00 0.00 C ATOM 388 C VAL A 27 2.861 -6.354 -2.801 1.00 0.00 C ATOM 389 O VAL A 27 3.306 -6.007 -3.894 1.00 0.00 O ATOM 390 CB VAL A 27 2.728 -8.877 -2.863 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.360 -9.079 -4.242 1.00 0.00 C ATOM 392 CG2 VAL A 27 2.948 -10.156 -2.051 1.00 0.00 C ATOM 0 H VAL A 27 1.997 -7.478 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 27 4.418 -7.698 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 27 1.660 -8.683 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.914 -9.950 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.184 -8.196 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.433 -9.236 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.509 -11.002 -2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.017 -10.325 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.475 -10.053 -1.074 1.00 0.00 H new ATOM 402 N VAL A 28 1.960 -5.627 -2.132 1.00 0.00 N ATOM 403 CA VAL A 28 1.478 -4.347 -2.626 1.00 0.00 C ATOM 404 C VAL A 28 2.450 -3.255 -2.189 1.00 0.00 C ATOM 405 O VAL A 28 3.200 -3.433 -1.226 1.00 0.00 O ATOM 406 CB VAL A 28 0.048 -4.096 -2.125 1.00 0.00 C ATOM 407 CG1 VAL A 28 0.053 -3.253 -0.852 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.793 -3.371 -3.174 1.00 0.00 C ATOM 0 H VAL A 28 1.552 -5.912 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 28 1.435 -4.346 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.387 -5.075 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.972 -3.090 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.609 -3.774 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.526 -2.292 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.799 -3.210 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.335 -2.409 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.846 -3.976 -4.079 1.00 0.00 H new ATOM 418 N LYS A 29 2.443 -2.120 -2.888 1.00 0.00 N ATOM 419 CA LYS A 29 3.273 -0.973 -2.553 1.00 0.00 C ATOM 420 C LYS A 29 2.474 0.304 -2.761 1.00 0.00 C ATOM 421 O LYS A 29 1.359 0.265 -3.279 1.00 0.00 O ATOM 422 CB LYS A 29 4.564 -0.952 -3.383 1.00 0.00 C ATOM 423 CG LYS A 29 4.391 -1.530 -4.791 1.00 0.00 C ATOM 424 CD LYS A 29 4.769 -3.015 -4.794 1.00 0.00 C ATOM 425 CE LYS A 29 4.239 -3.723 -6.040 1.00 0.00 C ATOM 426 NZ LYS A 29 4.728 -3.097 -7.282 1.00 0.00 N ATOM 0 H LYS A 29 1.855 -1.974 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 29 3.567 -1.048 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.920 0.075 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.334 -1.517 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.359 -1.408 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.017 -0.985 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.853 -3.116 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.368 -3.496 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.542 -4.770 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.149 -3.706 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.946 -3.836 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.996 -2.465 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.588 -2.548 -7.079 1.00 0.00 H new ATOM 440 N LYS A 30 3.041 1.446 -2.362 1.00 0.00 N ATOM 441 CA LYS A 30 2.356 2.722 -2.504 1.00 0.00 C ATOM 442 C LYS A 30 2.004 2.967 -3.964 1.00 0.00 C ATOM 443 O LYS A 30 0.938 3.501 -4.254 1.00 0.00 O ATOM 444 CB LYS A 30 3.253 3.853 -1.994 1.00 0.00 C ATOM 445 CG LYS A 30 2.528 5.179 -2.206 1.00 0.00 C ATOM 446 CD LYS A 30 3.347 6.347 -1.673 1.00 0.00 C ATOM 447 CE LYS A 30 2.590 7.635 -1.972 1.00 0.00 C ATOM 448 NZ LYS A 30 3.389 8.827 -1.630 1.00 0.00 N ATOM 0 H LYS A 30 3.968 1.507 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 30 1.438 2.697 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.479 3.710 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.204 3.852 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.333 5.324 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.560 5.151 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.507 6.241 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.331 6.367 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.325 7.665 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.657 7.648 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.843 9.685 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.620 8.811 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.268 8.827 -2.186 1.00 0.00 H new ATOM 462 N SER A 31 2.903 2.568 -4.869 1.00 0.00 N ATOM 463 CA SER A 31 2.774 2.807 -6.293 1.00 0.00 C ATOM 464 C SER A 31 1.751 1.859 -6.917 1.00 0.00 C ATOM 465 O SER A 31 1.419 1.996 -8.093 1.00 0.00 O ATOM 466 CB SER A 31 4.142 2.650 -6.960 1.00 0.00 C ATOM 467 OG SER A 31 4.666 1.365 -6.695 1.00 0.00 O ATOM 0 H SER A 31 3.752 2.062 -4.619 1.00 0.00 H new ATOM 0 HA SER A 31 2.415 3.824 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.050 2.799 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.826 3.414 -6.590 1.00 0.00 H new ATOM 0 HG SER A 31 5.541 1.273 -7.127 1.00 0.00 H new ATOM 473 N ASP A 32 1.249 0.902 -6.133 1.00 0.00 N ATOM 474 CA ASP A 32 0.193 0.011 -6.568 1.00 0.00 C ATOM 475 C ASP A 32 -1.151 0.543 -6.083 1.00 0.00 C ATOM 476 O ASP A 32 -2.123 0.524 -6.831 1.00 0.00 O ATOM 477 CB ASP A 32 0.458 -1.398 -6.031 1.00 0.00 C ATOM 478 CG ASP A 32 1.257 -2.237 -7.024 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.264 -1.712 -7.553 1.00 0.00 O ATOM 480 OD2 ASP A 32 0.856 -3.399 -7.251 1.00 0.00 O ATOM 0 H ASP A 32 1.569 0.730 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 32 0.170 -0.038 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.002 -1.332 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.490 -1.891 -5.818 1.00 0.00 H new ATOM 485 N VAL A 33 -1.228 1.027 -4.840 1.00 0.00 N ATOM 486 CA VAL A 33 -2.489 1.530 -4.312 1.00 0.00 C ATOM 487 C VAL A 33 -2.907 2.785 -5.071 1.00 0.00 C ATOM 488 O VAL A 33 -4.093 2.992 -5.329 1.00 0.00 O ATOM 489 CB VAL A 33 -2.355 1.797 -2.810 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.677 2.312 -2.245 1.00 0.00 C ATOM 491 CG2 VAL A 33 -1.996 0.508 -2.071 1.00 0.00 C ATOM 0 H VAL A 33 -0.442 1.079 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.269 0.781 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.570 2.540 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.568 2.498 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.951 3.239 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.456 1.567 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.904 0.714 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.779 -0.233 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.049 0.123 -2.449 1.00 0.00 H new ATOM 501 N GLU A 34 -1.941 3.632 -5.448 1.00 0.00 N ATOM 502 CA GLU A 34 -2.237 4.833 -6.218 1.00 0.00 C ATOM 503 C GLU A 34 -2.378 4.521 -7.709 1.00 0.00 C ATOM 504 O GLU A 34 -2.499 5.436 -8.523 1.00 0.00 O ATOM 505 CB GLU A 34 -1.202 5.928 -5.946 1.00 0.00 C ATOM 506 CG GLU A 34 0.164 5.611 -6.548 1.00 0.00 C ATOM 507 CD GLU A 34 1.188 6.689 -6.192 1.00 0.00 C ATOM 508 OE1 GLU A 34 0.799 7.879 -6.156 1.00 0.00 O ATOM 509 OE2 GLU A 34 2.359 6.318 -5.960 1.00 0.00 O ATOM 0 H GLU A 34 -0.953 3.503 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.202 5.217 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.563 6.873 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.097 6.064 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.509 4.643 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.077 5.532 -7.632 1.00 0.00 H new ATOM 516 N ALA A 35 -2.365 3.234 -8.072 1.00 0.00 N ATOM 517 CA ALA A 35 -2.548 2.787 -9.443 1.00 0.00 C ATOM 518 C ALA A 35 -3.781 1.891 -9.577 1.00 0.00 C ATOM 519 O ALA A 35 -4.202 1.578 -10.691 1.00 0.00 O ATOM 520 CB ALA A 35 -1.285 2.047 -9.884 1.00 0.00 C ATOM 0 H ALA A 35 -2.225 2.471 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.714 3.651 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.404 1.704 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.429 2.719 -9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.120 1.189 -9.232 1.00 0.00 H new ATOM 526 N ILE A 36 -4.362 1.482 -8.445 1.00 0.00 N ATOM 527 CA ILE A 36 -5.549 0.636 -8.405 1.00 0.00 C ATOM 528 C ILE A 36 -6.781 1.476 -8.081 1.00 0.00 C ATOM 529 O ILE A 36 -7.900 1.078 -8.394 1.00 0.00 O ATOM 530 CB ILE A 36 -5.306 -0.473 -7.373 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.208 -1.411 -7.887 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.569 -1.295 -7.104 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.602 -2.214 -6.738 1.00 0.00 C ATOM 0 H ILE A 36 -4.013 1.735 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.736 0.175 -9.375 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.007 0.005 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.622 -2.090 -8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.429 -0.831 -8.382 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.350 -2.068 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.354 -0.642 -6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.904 -1.761 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.825 -2.873 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.168 -1.532 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.380 -2.811 -6.261 1.00 0.00 H new ATOM 545 N PHE A 37 -6.578 2.643 -7.457 1.00 0.00 N ATOM 546 CA PHE A 37 -7.664 3.535 -7.085 1.00 0.00 C ATOM 547 C PHE A 37 -7.669 4.808 -7.933 1.00 0.00 C ATOM 548 O PHE A 37 -8.586 5.616 -7.828 1.00 0.00 O ATOM 549 CB PHE A 37 -7.556 3.835 -5.589 1.00 0.00 C ATOM 550 CG PHE A 37 -7.904 2.645 -4.722 1.00 0.00 C ATOM 551 CD1 PHE A 37 -7.039 1.542 -4.657 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.100 2.643 -3.990 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.377 0.430 -3.873 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.434 1.533 -3.201 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.571 0.429 -3.138 1.00 0.00 C ATOM 0 H PHE A 37 -5.653 2.988 -7.199 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.619 3.048 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.541 4.159 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.219 4.664 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.112 1.550 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.763 3.495 -4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.718 -0.425 -3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.357 1.528 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.826 -0.422 -2.523 1.00 0.00 H new ATOM 565 N SER A 38 -6.655 5.006 -8.785 1.00 0.00 N ATOM 566 CA SER A 38 -6.600 6.184 -9.643 1.00 0.00 C ATOM 567 C SER A 38 -7.504 6.019 -10.868 1.00 0.00 C ATOM 568 O SER A 38 -7.640 6.942 -11.670 1.00 0.00 O ATOM 569 CB SER A 38 -5.152 6.465 -10.037 1.00 0.00 C ATOM 570 OG SER A 38 -5.060 7.685 -10.743 1.00 0.00 O ATOM 0 H SER A 38 -5.868 4.366 -8.894 1.00 0.00 H new ATOM 0 HA SER A 38 -6.977 7.045 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.527 6.506 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.772 5.651 -10.654 1.00 0.00 H new ATOM 0 HG SER A 38 -5.869 7.814 -11.281 1.00 0.00 H new ATOM 576 N LYS A 39 -8.131 4.846 -11.024 1.00 0.00 N ATOM 577 CA LYS A 39 -9.072 4.582 -12.104 1.00 0.00 C ATOM 578 C LYS A 39 -10.490 5.004 -11.722 1.00 0.00 C ATOM 579 O LYS A 39 -11.388 4.969 -12.560 1.00 0.00 O ATOM 580 CB LYS A 39 -9.026 3.100 -12.480 1.00 0.00 C ATOM 581 CG LYS A 39 -9.516 2.224 -11.325 1.00 0.00 C ATOM 582 CD LYS A 39 -9.614 0.765 -11.765 1.00 0.00 C ATOM 583 CE LYS A 39 -10.172 -0.056 -10.606 1.00 0.00 C ATOM 584 NZ LYS A 39 -10.406 -1.459 -10.995 1.00 0.00 N ATOM 0 H LYS A 39 -7.994 4.053 -10.397 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.779 5.176 -12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.644 2.926 -13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.007 2.820 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.833 2.310 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.490 2.573 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.261 0.676 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.632 0.391 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.476 -0.022 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.107 0.387 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.968 -1.934 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.922 -1.488 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.494 -1.946 -11.102 1.00 0.00 H new ATOM 598 N TYR A 40 -10.691 5.400 -10.461 1.00 0.00 N ATOM 599 CA TYR A 40 -11.996 5.785 -9.945 1.00 0.00 C ATOM 600 C TYR A 40 -12.007 7.229 -9.445 1.00 0.00 C ATOM 601 O TYR A 40 -13.049 7.719 -9.014 1.00 0.00 O ATOM 602 CB TYR A 40 -12.415 4.812 -8.840 1.00 0.00 C ATOM 603 CG TYR A 40 -13.139 3.586 -9.352 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.291 3.739 -10.139 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.670 2.302 -9.037 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.979 2.614 -10.608 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.357 1.172 -9.504 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.516 1.324 -10.291 1.00 0.00 C ATOM 609 OH TYR A 40 -15.187 0.227 -10.741 1.00 0.00 O ATOM 0 H TYR A 40 -9.943 5.461 -9.770 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.718 5.733 -10.760 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.528 4.496 -8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.059 5.335 -8.133 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.648 4.729 -10.384 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.781 2.184 -8.436 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.865 2.736 -11.213 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.997 0.183 -9.260 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.732 -0.584 -10.432 1.00 0.00 H new ATOM 619 N GLY A 41 -10.865 7.918 -9.498 1.00 0.00 N ATOM 620 CA GLY A 41 -10.813 9.305 -9.080 1.00 0.00 C ATOM 621 C GLY A 41 -9.399 9.865 -9.082 1.00 0.00 C ATOM 622 O GLY A 41 -8.427 9.120 -9.208 1.00 0.00 O ATOM 0 H GLY A 41 -9.977 7.536 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.438 9.904 -9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.234 9.395 -8.078 1.00 0.00 H new ATOM 626 N LYS A 42 -9.290 11.189 -8.937 1.00 0.00 N ATOM 627 CA LYS A 42 -8.012 11.871 -8.851 1.00 0.00 C ATOM 628 C LYS A 42 -7.465 11.731 -7.441 1.00 0.00 C ATOM 629 O LYS A 42 -8.042 12.273 -6.493 1.00 0.00 O ATOM 630 CB LYS A 42 -8.199 13.351 -9.218 1.00 0.00 C ATOM 631 CG LYS A 42 -6.957 14.188 -8.885 1.00 0.00 C ATOM 632 CD LYS A 42 -5.700 13.695 -9.600 1.00 0.00 C ATOM 633 CE LYS A 42 -4.498 14.462 -9.052 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.249 14.037 -9.709 1.00 0.00 N ATOM 0 H LYS A 42 -10.094 11.813 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.301 11.427 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.418 13.435 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.060 13.751 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.141 15.227 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.789 14.167 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.570 12.624 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.790 13.850 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.646 15.531 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.420 14.300 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.450 14.575 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.098 13.022 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.317 14.214 -10.732 1.00 0.00 H new ATOM 648 N ILE A 43 -6.357 11.008 -7.294 1.00 0.00 N ATOM 649 CA ILE A 43 -5.703 10.859 -6.006 1.00 0.00 C ATOM 650 C ILE A 43 -4.753 12.033 -5.808 1.00 0.00 C ATOM 651 O ILE A 43 -3.927 12.320 -6.676 1.00 0.00 O ATOM 652 CB ILE A 43 -4.985 9.505 -5.934 1.00 0.00 C ATOM 653 CG1 ILE A 43 -6.018 8.379 -6.078 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.242 9.393 -4.602 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.407 6.978 -5.978 1.00 0.00 C ATOM 0 H ILE A 43 -5.895 10.516 -8.059 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.434 10.869 -5.197 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.259 9.421 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.778 8.492 -5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.523 8.480 -7.039 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.732 8.431 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.510 10.197 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.954 9.471 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.192 6.230 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.667 6.847 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.926 6.859 -5.007 1.00 0.00 H new ATOM 667 N VAL A 44 -4.873 12.707 -4.666 1.00 0.00 N ATOM 668 CA VAL A 44 -4.013 13.831 -4.312 1.00 0.00 C ATOM 669 C VAL A 44 -3.181 13.501 -3.078 1.00 0.00 C ATOM 670 O VAL A 44 -2.420 14.338 -2.598 1.00 0.00 O ATOM 671 CB VAL A 44 -4.839 15.109 -4.135 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.316 15.611 -5.501 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.061 14.866 -3.246 1.00 0.00 C ATOM 0 H VAL A 44 -5.573 12.487 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.315 14.014 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.201 15.853 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.903 16.520 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.453 15.824 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.932 14.847 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.625 15.793 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.695 14.105 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.734 14.527 -2.263 1.00 0.00 H new ATOM 683 N GLY A 45 -3.323 12.275 -2.566 1.00 0.00 N ATOM 684 CA GLY A 45 -2.521 11.775 -1.461 1.00 0.00 C ATOM 685 C GLY A 45 -2.763 10.284 -1.279 1.00 0.00 C ATOM 686 O GLY A 45 -3.879 9.808 -1.480 1.00 0.00 O ATOM 0 H GLY A 45 -4.005 11.601 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.464 11.960 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.776 12.308 -0.545 1.00 0.00 H new ATOM 690 N CYS A 46 -1.729 9.532 -0.898 1.00 0.00 N ATOM 691 CA CYS A 46 -1.849 8.102 -0.689 1.00 0.00 C ATOM 692 C CYS A 46 -0.811 7.613 0.314 1.00 0.00 C ATOM 693 O CYS A 46 0.290 8.151 0.384 1.00 0.00 O ATOM 694 CB CYS A 46 -1.675 7.398 -2.037 1.00 0.00 C ATOM 695 SG CYS A 46 -1.849 5.607 -1.834 1.00 0.00 S ATOM 0 H CYS A 46 -0.793 9.901 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.832 7.872 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.418 7.765 -2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.695 7.631 -2.453 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.688 5.359 -0.873 1.00 0.00 H new ATOM 701 N SER A 47 -1.173 6.586 1.085 1.00 0.00 N ATOM 702 CA SER A 47 -0.261 5.922 2.002 1.00 0.00 C ATOM 703 C SER A 47 -0.647 4.452 2.106 1.00 0.00 C ATOM 704 O SER A 47 -1.794 4.084 1.860 1.00 0.00 O ATOM 705 CB SER A 47 -0.275 6.593 3.377 1.00 0.00 C ATOM 706 OG SER A 47 -1.541 6.469 3.991 1.00 0.00 O ATOM 0 H SER A 47 -2.114 6.193 1.087 1.00 0.00 H new ATOM 0 HA SER A 47 0.756 6.002 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.487 6.142 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.020 7.648 3.273 1.00 0.00 H new ATOM 0 HG SER A 47 -1.508 5.763 4.669 1.00 0.00 H new ATOM 712 N VAL A 48 0.311 3.607 2.473 1.00 0.00 N ATOM 713 CA VAL A 48 0.075 2.181 2.614 1.00 0.00 C ATOM 714 C VAL A 48 0.851 1.657 3.818 1.00 0.00 C ATOM 715 O VAL A 48 1.962 2.107 4.096 1.00 0.00 O ATOM 716 CB VAL A 48 0.413 1.452 1.305 1.00 0.00 C ATOM 717 CG1 VAL A 48 1.799 1.825 0.786 1.00 0.00 C ATOM 718 CG2 VAL A 48 0.333 -0.064 1.474 1.00 0.00 C ATOM 0 H VAL A 48 1.268 3.893 2.680 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.981 1.987 2.803 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.331 1.772 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.997 1.287 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.841 2.898 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.550 1.557 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.578 -0.549 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.041 -0.383 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.677 -0.344 1.774 1.00 0.00 H new ATOM 728 N HIS A 49 0.244 0.708 4.530 1.00 0.00 N ATOM 729 CA HIS A 49 0.732 0.227 5.812 1.00 0.00 C ATOM 730 C HIS A 49 0.587 -1.292 5.866 1.00 0.00 C ATOM 731 O HIS A 49 0.271 -1.917 4.856 1.00 0.00 O ATOM 732 CB HIS A 49 -0.096 0.886 6.918 1.00 0.00 C ATOM 733 CG HIS A 49 -0.328 2.354 6.678 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.490 3.393 7.126 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.373 2.881 5.972 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.086 4.520 6.672 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.197 4.242 5.971 1.00 0.00 N ATOM 0 H HIS A 49 -0.613 0.248 4.223 1.00 0.00 H new ATOM 0 HA HIS A 49 1.784 0.480 5.946 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.058 0.379 6.996 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.412 0.755 7.873 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.343 3.314 7.680 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.179 2.334 5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.294 5.516 6.848 1.00 0.00 H new ATOM 745 N LYS A 50 0.814 -1.896 7.035 1.00 0.00 N ATOM 746 CA LYS A 50 0.580 -3.320 7.215 1.00 0.00 C ATOM 747 C LYS A 50 -0.889 -3.561 7.528 1.00 0.00 C ATOM 748 O LYS A 50 -1.454 -2.925 8.414 1.00 0.00 O ATOM 749 CB LYS A 50 1.496 -3.875 8.307 1.00 0.00 C ATOM 750 CG LYS A 50 2.907 -4.098 7.764 1.00 0.00 C ATOM 751 CD LYS A 50 2.932 -5.353 6.885 1.00 0.00 C ATOM 752 CE LYS A 50 4.289 -5.522 6.205 1.00 0.00 C ATOM 753 NZ LYS A 50 4.471 -4.527 5.130 1.00 0.00 N ATOM 0 H LYS A 50 1.159 -1.417 7.867 1.00 0.00 H new ATOM 0 HA LYS A 50 0.819 -3.850 6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.529 -3.182 9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.093 -4.815 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.225 -3.231 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.611 -4.206 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.715 -6.231 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.149 -5.287 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.085 -5.415 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.370 -6.527 5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.432 -4.608 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.776 -4.700 4.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.333 -3.571 5.515 1.00 0.00 H new ATOM 767 N GLY A 51 -1.497 -4.490 6.791 1.00 0.00 N ATOM 768 CA GLY A 51 -2.893 -4.873 6.947 1.00 0.00 C ATOM 769 C GLY A 51 -3.886 -3.860 6.378 1.00 0.00 C ATOM 770 O GLY A 51 -5.056 -4.200 6.205 1.00 0.00 O ATOM 0 H GLY A 51 -1.019 -5.007 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.051 -5.834 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.103 -5.015 8.007 1.00 0.00 H new ATOM 774 N PHE A 52 -3.460 -2.626 6.081 1.00 0.00 N ATOM 775 CA PHE A 52 -4.363 -1.616 5.546 1.00 0.00 C ATOM 776 C PHE A 52 -3.623 -0.555 4.729 1.00 0.00 C ATOM 777 O PHE A 52 -2.394 -0.497 4.738 1.00 0.00 O ATOM 778 CB PHE A 52 -5.137 -0.943 6.684 1.00 0.00 C ATOM 779 CG PHE A 52 -4.264 -0.188 7.662 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.694 -0.855 8.753 1.00 0.00 C ATOM 781 CD2 PHE A 52 -4.028 1.178 7.471 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.873 -0.156 9.648 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.209 1.878 8.366 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.630 1.209 9.455 1.00 0.00 C ATOM 0 H PHE A 52 -2.498 -2.310 6.204 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.057 -2.126 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.865 -0.254 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.699 -1.703 7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.887 -1.907 8.905 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.477 1.692 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.428 -0.670 10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.023 2.932 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.997 1.747 10.145 1.00 0.00 H new ATOM 794 N ALA A 53 -4.386 0.283 4.026 1.00 0.00 N ATOM 795 CA ALA A 53 -3.867 1.395 3.243 1.00 0.00 C ATOM 796 C ALA A 53 -4.894 2.529 3.194 1.00 0.00 C ATOM 797 O ALA A 53 -6.047 2.349 3.592 1.00 0.00 O ATOM 798 CB ALA A 53 -3.524 0.902 1.838 1.00 0.00 C ATOM 0 H ALA A 53 -5.402 0.202 3.987 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.962 1.785 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.135 1.731 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.771 0.116 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.421 0.507 1.362 1.00 0.00 H new ATOM 804 N PHE A 54 -4.477 3.700 2.701 1.00 0.00 N ATOM 805 CA PHE A 54 -5.337 4.875 2.597 1.00 0.00 C ATOM 806 C PHE A 54 -5.132 5.600 1.274 1.00 0.00 C ATOM 807 O PHE A 54 -4.025 5.647 0.737 1.00 0.00 O ATOM 808 CB PHE A 54 -5.069 5.822 3.769 1.00 0.00 C ATOM 809 CG PHE A 54 -5.909 5.517 4.990 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.249 5.930 5.017 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.360 4.829 6.081 1.00 0.00 C ATOM 812 CE1 PHE A 54 -8.046 5.651 6.131 1.00 0.00 C ATOM 813 CE2 PHE A 54 -6.163 4.546 7.194 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.502 4.957 7.216 1.00 0.00 C ATOM 0 H PHE A 54 -3.528 3.856 2.362 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.374 4.540 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.014 5.765 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.262 6.846 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.666 6.464 4.176 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.326 4.519 6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.078 5.970 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.749 4.011 8.036 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.117 4.737 8.076 1.00 0.00 H new ATOM 824 N VAL A 55 -6.219 6.172 0.749 1.00 0.00 N ATOM 825 CA VAL A 55 -6.206 6.942 -0.482 1.00 0.00 C ATOM 826 C VAL A 55 -7.048 8.197 -0.290 1.00 0.00 C ATOM 827 O VAL A 55 -8.235 8.111 0.020 1.00 0.00 O ATOM 828 CB VAL A 55 -6.746 6.097 -1.641 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.871 6.955 -2.899 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.808 4.931 -1.935 1.00 0.00 C ATOM 0 H VAL A 55 -7.142 6.108 1.179 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.183 7.230 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.724 5.712 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.255 6.347 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.555 7.782 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.891 7.350 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.207 4.342 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.824 5.315 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.721 4.302 -1.049 1.00 0.00 H new ATOM 840 N GLN A 56 -6.429 9.361 -0.475 1.00 0.00 N ATOM 841 CA GLN A 56 -7.074 10.650 -0.300 1.00 0.00 C ATOM 842 C GLN A 56 -7.423 11.224 -1.675 1.00 0.00 C ATOM 843 O GLN A 56 -6.531 11.601 -2.435 1.00 0.00 O ATOM 844 CB GLN A 56 -6.116 11.549 0.489 1.00 0.00 C ATOM 845 CG GLN A 56 -6.631 12.973 0.692 1.00 0.00 C ATOM 846 CD GLN A 56 -7.854 13.000 1.595 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.731 12.999 2.819 1.00 0.00 O ATOM 848 NE2 GLN A 56 -9.038 13.022 1.001 1.00 0.00 N ATOM 0 H GLN A 56 -5.451 9.431 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.006 10.568 0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.930 11.098 1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.159 11.590 -0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.843 13.588 1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.881 13.412 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.098 13.022 -0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.890 13.039 1.562 1.00 0.00 H new ATOM 857 N TYR A 57 -8.716 11.294 -1.989 1.00 0.00 N ATOM 858 CA TYR A 57 -9.202 11.875 -3.234 1.00 0.00 C ATOM 859 C TYR A 57 -9.449 13.372 -3.065 1.00 0.00 C ATOM 860 O TYR A 57 -9.194 13.934 -1.998 1.00 0.00 O ATOM 861 CB TYR A 57 -10.499 11.191 -3.677 1.00 0.00 C ATOM 862 CG TYR A 57 -10.371 9.782 -4.203 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.469 9.495 -5.240 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.179 8.767 -3.677 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.413 8.210 -5.791 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.130 7.477 -4.227 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.254 7.198 -5.291 1.00 0.00 C ATOM 868 OH TYR A 57 -10.226 5.953 -5.834 1.00 0.00 O ATOM 0 H TYR A 57 -9.458 10.946 -1.381 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.439 11.722 -3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.185 11.178 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.961 11.804 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.816 10.269 -5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.839 8.977 -2.849 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.727 7.995 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.766 6.698 -3.833 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.878 6.003 -6.749 1.00 0.00 H new ATOM 878 N VAL A 58 -9.949 14.016 -4.125 1.00 0.00 N ATOM 879 CA VAL A 58 -10.228 15.445 -4.121 1.00 0.00 C ATOM 880 C VAL A 58 -11.600 15.733 -3.513 1.00 0.00 C ATOM 881 O VAL A 58 -11.808 16.799 -2.937 1.00 0.00 O ATOM 882 CB VAL A 58 -10.159 15.981 -5.558 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.476 17.476 -5.619 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.755 15.784 -6.122 1.00 0.00 C ATOM 0 H VAL A 58 -10.170 13.555 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.479 15.948 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.897 15.429 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.417 17.819 -6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.481 17.651 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.756 18.026 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.715 16.167 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.036 16.322 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.509 14.722 -6.124 1.00 0.00 H new ATOM 894 N ASN A 59 -12.536 14.790 -3.641 1.00 0.00 N ATOM 895 CA ASN A 59 -13.900 14.973 -3.161 1.00 0.00 C ATOM 896 C ASN A 59 -14.542 13.650 -2.747 1.00 0.00 C ATOM 897 O ASN A 59 -13.959 12.581 -2.926 1.00 0.00 O ATOM 898 CB ASN A 59 -14.727 15.658 -4.250 1.00 0.00 C ATOM 899 CG ASN A 59 -14.792 14.819 -5.513 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.263 13.687 -5.492 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.319 15.362 -6.622 1.00 0.00 N ATOM 0 H ASN A 59 -12.367 13.884 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.871 15.601 -2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.736 15.840 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.292 16.630 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.339 14.836 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.934 16.306 -6.604 1.00 0.00 H new ATOM 908 N GLU A 60 -15.755 13.728 -2.192 1.00 0.00 N ATOM 909 CA GLU A 60 -16.487 12.568 -1.707 1.00 0.00 C ATOM 910 C GLU A 60 -16.962 11.688 -2.856 1.00 0.00 C ATOM 911 O GLU A 60 -16.997 10.467 -2.728 1.00 0.00 O ATOM 912 CB GLU A 60 -17.672 13.066 -0.870 1.00 0.00 C ATOM 913 CG GLU A 60 -18.715 11.966 -0.668 1.00 0.00 C ATOM 914 CD GLU A 60 -19.774 12.385 0.350 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.296 13.514 0.216 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.057 11.565 1.253 1.00 0.00 O ATOM 0 H GLU A 60 -16.255 14.608 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.829 11.952 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.314 13.412 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.134 13.921 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.194 11.736 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.224 11.054 -0.330 1.00 0.00 H new ATOM 923 N ARG A 61 -17.325 12.301 -3.982 1.00 0.00 N ATOM 924 CA ARG A 61 -17.825 11.583 -5.144 1.00 0.00 C ATOM 925 C ARG A 61 -16.788 10.559 -5.608 1.00 0.00 C ATOM 926 O ARG A 61 -17.141 9.439 -5.980 1.00 0.00 O ATOM 927 CB ARG A 61 -18.167 12.649 -6.194 1.00 0.00 C ATOM 928 CG ARG A 61 -17.807 12.287 -7.635 1.00 0.00 C ATOM 929 CD ARG A 61 -18.689 11.158 -8.167 1.00 0.00 C ATOM 930 NE ARG A 61 -18.333 10.809 -9.548 1.00 0.00 N ATOM 931 CZ ARG A 61 -18.744 9.700 -10.167 1.00 0.00 C ATOM 932 NH1 ARG A 61 -19.536 8.829 -9.548 1.00 0.00 N ATOM 933 NH2 ARG A 61 -18.366 9.458 -11.417 1.00 0.00 N ATOM 0 H ARG A 61 -17.279 13.312 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.722 11.001 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.236 12.854 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.653 13.573 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.917 13.166 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.760 11.987 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.584 10.280 -7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.735 11.460 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.735 11.453 -10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.836 9.005 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.843 7.985 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.762 10.120 -11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.680 8.611 -11.890 1.00 0.00 H new ATOM 947 N ASN A 62 -15.510 10.935 -5.582 1.00 0.00 N ATOM 948 CA ASN A 62 -14.427 10.052 -5.984 1.00 0.00 C ATOM 949 C ASN A 62 -14.294 8.890 -4.994 1.00 0.00 C ATOM 950 O ASN A 62 -13.969 7.770 -5.387 1.00 0.00 O ATOM 951 CB ASN A 62 -13.136 10.871 -6.047 1.00 0.00 C ATOM 952 CG ASN A 62 -13.020 11.689 -7.329 1.00 0.00 C ATOM 953 OD1 ASN A 62 -11.987 11.668 -7.992 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.063 12.420 -7.703 1.00 0.00 N ATOM 0 H ASN A 62 -15.201 11.860 -5.282 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.634 9.624 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.093 11.541 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.281 10.200 -5.970 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.015 12.978 -8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.912 12.424 -7.138 1.00 0.00 H new ATOM 961 N ALA A 63 -14.547 9.144 -3.705 1.00 0.00 N ATOM 962 CA ALA A 63 -14.452 8.102 -2.696 1.00 0.00 C ATOM 963 C ALA A 63 -15.564 7.071 -2.866 1.00 0.00 C ATOM 964 O ALA A 63 -15.309 5.881 -2.732 1.00 0.00 O ATOM 965 CB ALA A 63 -14.492 8.723 -1.301 1.00 0.00 C ATOM 0 H ALA A 63 -14.817 10.059 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.502 7.583 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.420 7.936 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.655 9.412 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.429 9.265 -1.171 1.00 0.00 H new ATOM 971 N ARG A 64 -16.794 7.508 -3.160 1.00 0.00 N ATOM 972 CA ARG A 64 -17.908 6.590 -3.372 1.00 0.00 C ATOM 973 C ARG A 64 -17.674 5.750 -4.621 1.00 0.00 C ATOM 974 O ARG A 64 -18.210 4.648 -4.726 1.00 0.00 O ATOM 975 CB ARG A 64 -19.212 7.379 -3.536 1.00 0.00 C ATOM 976 CG ARG A 64 -19.537 8.299 -2.357 1.00 0.00 C ATOM 977 CD ARG A 64 -19.784 7.528 -1.061 1.00 0.00 C ATOM 978 NE ARG A 64 -20.058 8.461 0.035 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.371 8.102 1.281 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.476 6.818 1.618 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.578 9.034 2.201 1.00 0.00 N ATOM 0 H ARG A 64 -17.039 8.494 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.982 5.933 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.150 7.978 -4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.034 6.677 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.714 8.998 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.419 8.892 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.626 6.847 -1.188 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.914 6.917 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.006 9.459 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.316 6.093 0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.716 6.560 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.498 10.021 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.818 8.764 3.155 1.00 0.00 H new ATOM 995 N ALA A 65 -16.878 6.257 -5.567 1.00 0.00 N ATOM 996 CA ALA A 65 -16.594 5.539 -6.798 1.00 0.00 C ATOM 997 C ALA A 65 -15.711 4.321 -6.528 1.00 0.00 C ATOM 998 O ALA A 65 -15.937 3.262 -7.110 1.00 0.00 O ATOM 999 CB ALA A 65 -15.896 6.486 -7.773 1.00 0.00 C ATOM 0 H ALA A 65 -16.421 7.166 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.531 5.185 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.678 5.957 -8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.546 7.335 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.965 6.842 -7.331 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.708 4.456 -5.653 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.818 3.343 -5.360 1.00 0.00 C ATOM 1007 C ALA A 66 -14.301 2.517 -4.171 1.00 0.00 C ATOM 1008 O ALA A 66 -14.034 1.316 -4.105 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.416 3.889 -5.118 1.00 0.00 C ATOM 0 H ALA A 66 -14.499 5.315 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.808 2.667 -6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.738 3.065 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.071 4.414 -6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.435 4.579 -4.275 1.00 0.00 H new ATOM 1015 N VAL A 67 -15.015 3.136 -3.229 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.572 2.432 -2.082 1.00 0.00 C ATOM 1017 C VAL A 67 -16.690 1.492 -2.528 1.00 0.00 C ATOM 1018 O VAL A 67 -17.004 0.530 -1.829 1.00 0.00 O ATOM 1019 CB VAL A 67 -16.037 3.440 -1.024 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.951 2.790 0.014 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.816 4.015 -0.310 1.00 0.00 C ATOM 0 H VAL A 67 -15.220 4.135 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.802 1.812 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.598 4.225 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.259 3.537 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.832 2.383 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.415 1.987 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.140 4.733 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.262 3.209 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.173 4.515 -1.034 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.293 1.758 -3.688 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.277 0.857 -4.271 1.00 0.00 C ATOM 1033 C ALA A 68 -17.756 0.182 -5.542 1.00 0.00 C ATOM 1034 O ALA A 68 -18.396 -0.735 -6.052 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.562 1.638 -4.542 1.00 0.00 C ATOM 0 H ALA A 68 -17.113 2.596 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.481 0.054 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.307 0.973 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.944 2.046 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.353 2.453 -5.234 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.603 0.620 -6.064 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.045 0.074 -7.292 1.00 0.00 C ATOM 1043 C GLY A 69 -14.973 -0.995 -7.064 1.00 0.00 C ATOM 1044 O GLY A 69 -14.769 -1.837 -7.935 1.00 0.00 O ATOM 0 H GLY A 69 -16.039 1.359 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.851 -0.355 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.615 0.887 -7.877 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.292 -0.973 -5.915 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.201 -1.903 -5.626 1.00 0.00 C ATOM 1050 C GLU A 70 -13.476 -2.724 -4.372 1.00 0.00 C ATOM 1051 O GLU A 70 -12.808 -3.729 -4.149 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.903 -1.114 -5.443 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.440 -0.448 -6.739 1.00 0.00 C ATOM 1054 CD GLU A 70 -10.927 -1.472 -7.746 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -9.723 -1.803 -7.670 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -11.734 -1.925 -8.588 1.00 0.00 O ATOM 0 H GLU A 70 -14.482 -0.312 -5.162 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.113 -2.593 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.049 -0.352 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.122 -1.783 -5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.267 0.111 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.652 0.271 -6.517 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.441 -2.329 -3.542 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.699 -3.046 -2.305 1.00 0.00 C ATOM 1065 C ASP A 71 -15.060 -4.505 -2.590 1.00 0.00 C ATOM 1066 O ASP A 71 -15.915 -4.787 -3.430 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.809 -2.341 -1.530 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.220 -3.154 -0.304 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.302 -3.598 0.418 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.445 -3.320 -0.102 1.00 0.00 O ATOM 0 H ASP A 71 -15.048 -1.525 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.795 -3.048 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.470 -1.353 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.672 -2.192 -2.178 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.400 -5.427 -1.885 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.657 -6.853 -2.019 1.00 0.00 C ATOM 1077 C GLY A 72 -13.871 -7.484 -3.171 1.00 0.00 C ATOM 1078 O GLY A 72 -14.159 -8.621 -3.550 1.00 0.00 O ATOM 0 H GLY A 72 -13.673 -5.200 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.396 -7.355 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.723 -7.013 -2.180 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.889 -6.770 -3.734 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.101 -7.292 -4.849 1.00 0.00 C ATOM 1084 C ARG A 73 -10.867 -8.029 -4.349 1.00 0.00 C ATOM 1085 O ARG A 73 -10.442 -7.833 -3.215 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.727 -6.187 -5.838 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.500 -5.380 -5.393 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.918 -4.626 -6.585 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.210 -5.544 -7.485 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.483 -5.159 -8.537 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.369 -3.874 -8.858 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.866 -6.076 -9.279 1.00 0.00 N ATOM 0 H ARG A 73 -12.624 -5.832 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.723 -8.009 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.530 -6.631 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.575 -5.513 -5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.780 -4.677 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.748 -6.047 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.717 -4.121 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.234 -3.853 -6.234 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.278 -6.544 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.841 -3.164 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.810 -3.598 -9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.950 -7.065 -9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.309 -5.790 -10.084 1.00 0.00 H new ATOM 1106 N MET A 74 -10.281 -8.876 -5.197 1.00 0.00 N ATOM 1107 CA MET A 74 -9.054 -9.575 -4.863 1.00 0.00 C ATOM 1108 C MET A 74 -7.843 -8.872 -5.459 1.00 0.00 C ATOM 1109 O MET A 74 -7.880 -8.421 -6.605 1.00 0.00 O ATOM 1110 CB MET A 74 -9.145 -11.036 -5.302 1.00 0.00 C ATOM 1111 CG MET A 74 -7.797 -11.727 -5.101 1.00 0.00 C ATOM 1112 SD MET A 74 -7.899 -13.526 -4.976 1.00 0.00 S ATOM 1113 CE MET A 74 -8.623 -13.607 -3.320 1.00 0.00 C ATOM 0 H MET A 74 -10.645 -9.091 -6.125 1.00 0.00 H new ATOM 0 HA MET A 74 -8.924 -9.560 -3.781 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.916 -11.550 -4.727 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.439 -11.092 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.141 -11.468 -5.932 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.333 -11.337 -4.195 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.118 -14.379 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.505 -12.644 -2.824 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.683 -13.848 -3.398 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.770 -8.787 -4.669 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.486 -8.241 -5.078 1.00 0.00 C ATOM 1125 C ILE A 75 -4.397 -9.077 -4.411 1.00 0.00 C ATOM 1126 O ILE A 75 -4.504 -9.400 -3.229 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.369 -6.764 -4.659 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.549 -5.951 -5.206 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.044 -6.179 -5.159 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.546 -4.513 -4.701 1.00 0.00 C ATOM 0 H ILE A 75 -6.777 -9.107 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.383 -8.280 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.391 -6.710 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.513 -5.951 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.483 -6.433 -4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.971 -5.134 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.214 -6.740 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.004 -6.247 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.401 -3.980 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.610 -4.509 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.625 -4.020 -5.012 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.352 -9.426 -5.161 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.233 -10.214 -4.658 1.00 0.00 C ATOM 1144 C ALA A 76 -2.634 -11.530 -3.975 1.00 0.00 C ATOM 1145 O ALA A 76 -1.811 -12.131 -3.283 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.374 -9.335 -3.751 1.00 0.00 C ATOM 0 H ALA A 76 -3.260 -9.166 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.652 -10.537 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.534 -9.916 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.998 -8.484 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.976 -8.977 -2.916 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.875 -11.994 -4.152 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.321 -13.274 -3.616 1.00 0.00 C ATOM 1154 C GLY A 77 -5.190 -13.137 -2.366 1.00 0.00 C ATOM 1155 O GLY A 77 -5.605 -14.151 -1.807 1.00 0.00 O ATOM 0 H GLY A 77 -4.594 -11.490 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.883 -13.806 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.449 -13.884 -3.379 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.470 -11.911 -1.916 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.365 -11.668 -0.786 1.00 0.00 C ATOM 1161 C GLN A 78 -7.396 -10.605 -1.154 1.00 0.00 C ATOM 1162 O GLN A 78 -7.168 -9.793 -2.045 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.584 -11.234 0.463 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.775 -12.379 1.074 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.276 -12.151 0.927 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.590 -11.832 1.893 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.757 -12.316 -0.284 1.00 0.00 N ATOM 0 H GLN A 78 -5.082 -11.061 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.877 -12.602 -0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.911 -10.417 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.280 -10.848 1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.026 -12.479 2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.050 -13.317 0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.358 -12.582 -1.064 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.758 -12.177 -0.434 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.533 -10.618 -0.457 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.575 -9.613 -0.643 1.00 0.00 C ATOM 1178 C VAL A 79 -9.395 -8.510 0.388 1.00 0.00 C ATOM 1179 O VAL A 79 -8.946 -8.758 1.506 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.971 -10.247 -0.558 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.080 -9.199 -0.655 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.153 -11.244 -1.702 1.00 0.00 C ATOM 0 H VAL A 79 -8.755 -11.322 0.247 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.486 -9.178 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.043 -10.744 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.051 -9.690 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.979 -8.486 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.002 -8.673 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.144 -11.693 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.048 -10.727 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.396 -12.025 -1.628 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.754 -7.290 -0.004 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.622 -6.112 0.835 1.00 0.00 C ATOM 1194 C LEU A 80 -10.994 -5.491 1.066 1.00 0.00 C ATOM 1195 O LEU A 80 -11.843 -5.467 0.174 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.598 -5.103 0.280 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.299 -5.114 -1.226 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.610 -6.398 -1.695 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.563 -4.870 -2.046 1.00 0.00 C ATOM 0 H LEU A 80 -10.149 -7.094 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.221 -6.420 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.943 -4.103 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.657 -5.263 0.806 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.600 -4.294 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.427 -6.342 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.662 -6.514 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.250 -7.254 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.316 -4.884 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.292 -5.652 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.985 -3.900 -1.784 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.188 -4.987 2.284 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.435 -4.388 2.715 1.00 0.00 C ATOM 1213 C ASP A 81 -12.303 -2.873 2.607 1.00 0.00 C ATOM 1214 O ASP A 81 -11.612 -2.248 3.410 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.720 -4.839 4.149 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.024 -4.262 4.691 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.010 -4.227 3.921 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.024 -3.862 5.876 1.00 0.00 O ATOM 0 H ASP A 81 -10.467 -4.987 3.005 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.271 -4.702 2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.766 -5.928 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.895 -4.535 4.794 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.965 -2.281 1.614 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.840 -0.861 1.335 1.00 0.00 C ATOM 1225 C ILE A 82 -14.084 -0.129 1.823 1.00 0.00 C ATOM 1226 O ILE A 82 -15.202 -0.620 1.659 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.593 -0.663 -0.162 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.303 -1.384 -0.567 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.489 0.822 -0.505 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.227 -1.532 -2.083 1.00 0.00 C ATOM 0 H ILE A 82 -13.599 -2.774 0.986 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.989 -0.439 1.870 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.435 -1.082 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.439 -0.826 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.266 -2.367 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.313 0.937 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.418 1.324 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.662 1.266 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.304 -2.046 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.081 -2.110 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.241 -0.545 -2.546 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.894 1.049 2.422 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.992 1.794 3.009 1.00 0.00 C ATOM 1244 C ASN A 83 -14.658 3.282 3.079 1.00 0.00 C ATOM 1245 O ASN A 83 -13.495 3.673 2.956 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.252 1.229 4.409 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.616 1.634 4.948 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.609 0.958 4.695 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.684 2.734 5.689 1.00 0.00 N ATOM 0 H ASN A 83 -12.984 1.502 2.509 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.886 1.692 2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.184 0.142 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.476 1.578 5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.581 3.040 6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.839 3.273 5.880 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.680 4.119 3.284 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.482 5.540 3.517 1.00 0.00 C ATOM 1258 C LEU A 84 -14.692 5.692 4.817 1.00 0.00 C ATOM 1259 O LEU A 84 -14.866 4.897 5.738 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.850 6.227 3.614 1.00 0.00 C ATOM 1261 CG LEU A 84 -17.036 7.402 2.649 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.101 8.547 3.023 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -16.797 7.000 1.196 1.00 0.00 C ATOM 0 H LEU A 84 -16.657 3.827 3.292 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.929 6.006 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.629 5.488 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.993 6.584 4.634 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.073 7.727 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.244 9.375 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.322 8.881 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -15.067 8.205 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.941 7.866 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.778 6.629 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.501 6.217 0.915 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.828 6.703 4.908 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.944 6.842 6.056 1.00 0.00 C ATOM 1277 C ALA A 85 -13.653 7.396 7.293 1.00 0.00 C ATOM 1278 O ALA A 85 -13.032 7.519 8.349 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.750 7.708 5.671 1.00 0.00 C ATOM 0 H ALA A 85 -13.724 7.432 4.202 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.601 5.845 6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.086 7.814 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.209 7.238 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.100 8.692 5.359 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.940 7.729 7.178 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.722 8.260 8.282 1.00 0.00 C ATOM 1287 C ALA A 86 -17.049 7.517 8.443 1.00 0.00 C ATOM 1288 O ALA A 86 -17.926 7.987 9.166 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.949 9.752 8.068 1.00 0.00 C ATOM 0 H ALA A 86 -15.466 7.635 6.309 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.165 8.111 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.535 10.153 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.988 10.264 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.487 9.908 7.133 1.00 0.00 H new