USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1241 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 52 CYS SG : rot -8:sc= 0.0591 USER MOD Set 1.2: A 54 HIS : +bothHN:sc= 0.258 K(o=0.25,f=-3.3) USER MOD Set 1.3: A 111 GLN : amide:sc= -0.0709 K(o=0.25,f=-1.6) USER MOD Set 2.1: A 99 SER OG : rot -4:sc= -0.217 USER MOD Set 2.2: A 108 ASN : amide:sc= -0.405 K(o=-1.9,f=-2.9) USER MOD Set 2.3: A 126 HIS : no HE2:sc= -1.24 K(o=-1.9,f=-6.7!) USER MOD Set 3.1: A 92 HIS : +bothHN:sc= -0.798 K(o=-0.22,f=-4!) USER MOD Set 3.2: A 115 CYS SG : rot 52:sc= 0.329 USER MOD Set 3.3: A 119 THR OG1 : rot -155:sc= 0.251 USER MOD Set 4.1: A 62 CYS SG : rot -120:sc= -3.31! USER MOD Set 4.2: A 142 MET CE :methyl -127:sc= -1.17 (180deg=-1.95!) USER MOD Set 5.1: A 61 MET CE :methyl -115:sc= -0.418 (180deg=-1.62) USER MOD Set 5.2: A 63 GLN : amide:sc= 0.266 K(o=-0.15,f=-8.9!) USER MOD Set 6.1: A 31 LYS NZ :NH3+ -166:sc= 0.958 (180deg=0.191) USER MOD Set 6.2: A 79 TYR OH : rot 180:sc= 0.263 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.652 F(o=-2.3!,f=-0.65) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.534 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0.826 (180deg=0.656) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.33 K(o=-1.3,f=-7.3!) USER MOD Single : A 40 SER OG : rot 71:sc= 0.885 USER MOD Single : A 41 THR OG1 : rot -84:sc= -0.571 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 57:sc= -2.03! USER MOD Single : A 49 LYS NZ :NH3+ -107:sc= 1.11 (180deg=-0.205) USER MOD Single : A 51 SER OG : rot 0:sc= 0.0393 USER MOD Single : A 68 THR OG1 : rot 90:sc= 0.138 USER MOD Single : A 70 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.4!) USER MOD Single : A 71 ASN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 73 THR OG1 : rot 170:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= 0.145 (180deg=0.0659) USER MOD Single : A 77 SER OG : rot 170:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.46) USER MOD Single : A 87 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -30:sc= 0.28 USER MOD Single : A 100 MET CE :methyl 175:sc= -0.226 (180deg=-0.358) USER MOD Single : A 102 ASN : amide:sc= 0.229 K(o=0.23,f=-2.5!) USER MOD Single : A 106 ASN : amide:sc= -0.0407 K(o=-0.041,f=-1) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -90:sc= 0.145 USER MOD Single : A 116 THR OG1 : rot -117:sc= 0.596 USER MOD Single : A 118 LYS NZ :NH3+ -172:sc= -0.0891 (180deg=-0.203) USER MOD Single : A 125 LYS NZ :NH3+ -163:sc= 0.758 (180deg=0.441) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 157:sc= 0.544 (180deg=-0.129) USER MOD Single : A 136 MET CE :methyl -151:sc= -0.294 (180deg=-2.13!) USER MOD Single : A 137 ASN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 147 SER OG : rot 82:sc= 0.182 USER MOD Single : A 149 ASN : amide:sc= -0.0446 K(o=-0.045,f=-6.6!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 43:sc= 0.109 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -133:sc= 0.601 (180deg=-0.0048) USER MOD Single : A 155 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0228) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot 163:sc= 0.142 USER MOD Single : A 163 GLN : amide:sc= -0.867 K(o=-0.87,f=-7!) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 3 -7.727 -1.888 17.182 1.00 71.33 N ATOM 37 CA ASN A 3 -7.043 -1.981 15.891 1.00 52.11 C ATOM 38 C ASN A 3 -5.546 -2.302 16.074 1.00 51.41 C ATOM 39 O ASN A 3 -4.850 -1.557 16.772 1.00 14.54 O ATOM 40 CB ASN A 3 -7.190 -0.638 15.148 1.00 34.23 C ATOM 41 CG ASN A 3 -8.642 -0.230 14.939 1.00 73.11 C ATOM 42 OD1 ASN A 3 -9.234 -0.705 13.867 1.00 11.33 O flip ATOM 43 ND2 ASN A 3 -9.230 0.480 15.755 1.00 2.24 N flip ATOM 0 HA ASN A 3 -7.496 -2.788 15.315 1.00 52.11 H new ATOM 0 HB2 ASN A 3 -6.677 0.141 15.712 1.00 34.23 H new ATOM 0 HB3 ASN A 3 -6.695 -0.709 14.179 1.00 34.23 H new ATOM 0 HD21 ASN A 3 -8.736 0.830 16.576 1.00 2.24 H new ATOM 0 HD22 ASN A 3 -10.211 0.718 15.610 1.00 2.24 H new ATOM 50 N PRO A 4 -5.029 -3.416 15.469 1.00 1.33 N ATOM 51 CA PRO A 4 -3.574 -3.685 15.414 1.00 51.23 C ATOM 52 C PRO A 4 -2.872 -2.666 14.503 1.00 62.41 C ATOM 53 O PRO A 4 -3.494 -2.115 13.591 1.00 15.30 O ATOM 54 CB PRO A 4 -3.495 -5.114 14.821 1.00 74.41 C ATOM 55 CG PRO A 4 -4.758 -5.261 14.025 1.00 3.24 C ATOM 56 CD PRO A 4 -5.810 -4.503 14.809 1.00 4.21 C ATOM 0 HA PRO A 4 -3.083 -3.605 16.384 1.00 51.23 H new ATOM 0 HB2 PRO A 4 -2.613 -5.234 14.192 1.00 74.41 H new ATOM 0 HB3 PRO A 4 -3.431 -5.867 15.607 1.00 74.41 H new ATOM 0 HG2 PRO A 4 -4.642 -4.850 13.022 1.00 3.24 H new ATOM 0 HG3 PRO A 4 -5.032 -6.310 13.910 1.00 3.24 H new ATOM 0 HD2 PRO A 4 -6.586 -4.102 14.157 1.00 4.21 H new ATOM 0 HD3 PRO A 4 -6.306 -5.142 15.539 1.00 4.21 H new ATOM 64 N THR A 5 -1.590 -2.404 14.750 1.00 22.01 N ATOM 65 CA THR A 5 -0.799 -1.496 13.921 1.00 54.21 C ATOM 66 C THR A 5 0.440 -2.228 13.391 1.00 33.53 C ATOM 67 O THR A 5 1.091 -2.977 14.128 1.00 24.25 O ATOM 68 CB THR A 5 -0.406 -0.221 14.728 1.00 72.33 C ATOM 69 OG1 THR A 5 -1.592 0.505 15.105 1.00 41.23 O ATOM 70 CG2 THR A 5 0.552 0.699 13.947 1.00 75.24 C ATOM 0 H THR A 5 -1.072 -2.813 15.527 1.00 22.01 H new ATOM 0 HA THR A 5 -1.397 -1.172 13.069 1.00 54.21 H new ATOM 0 HB THR A 5 0.125 -0.552 15.621 1.00 72.33 H new ATOM 0 HG1 THR A 5 -1.339 1.304 15.613 1.00 41.23 H new ATOM 0 HG21 THR A 5 0.794 1.572 14.554 1.00 75.24 H new ATOM 0 HG22 THR A 5 1.467 0.156 13.712 1.00 75.24 H new ATOM 0 HG23 THR A 5 0.074 1.022 13.022 1.00 75.24 H new ATOM 78 N VAL A 6 0.737 -2.018 12.097 1.00 52.42 N ATOM 79 CA VAL A 6 1.940 -2.541 11.442 1.00 14.31 C ATOM 80 C VAL A 6 2.969 -1.424 11.291 1.00 72.51 C ATOM 81 O VAL A 6 2.613 -0.268 11.104 1.00 42.21 O ATOM 82 CB VAL A 6 1.644 -3.219 10.050 1.00 14.32 C ATOM 83 CG1 VAL A 6 0.849 -4.532 10.237 1.00 34.32 C ATOM 84 CG2 VAL A 6 0.912 -2.260 9.079 1.00 53.11 C ATOM 0 H VAL A 6 0.140 -1.474 11.473 1.00 52.42 H new ATOM 0 HA VAL A 6 2.339 -3.328 12.082 1.00 14.31 H new ATOM 0 HB VAL A 6 2.605 -3.460 9.596 1.00 14.32 H new ATOM 0 HG11 VAL A 6 0.656 -4.982 9.263 1.00 34.32 H new ATOM 0 HG12 VAL A 6 1.428 -5.224 10.849 1.00 34.32 H new ATOM 0 HG13 VAL A 6 -0.098 -4.316 10.731 1.00 34.32 H new ATOM 0 HG21 VAL A 6 0.729 -2.770 8.133 1.00 53.11 H new ATOM 0 HG22 VAL A 6 -0.038 -1.955 9.517 1.00 53.11 H new ATOM 0 HG23 VAL A 6 1.530 -1.379 8.903 1.00 53.11 H new ATOM 94 N PHE A 7 4.248 -1.785 11.395 1.00 62.31 N ATOM 95 CA PHE A 7 5.367 -0.844 11.355 1.00 64.04 C ATOM 96 C PHE A 7 6.295 -1.219 10.207 1.00 41.25 C ATOM 97 O PHE A 7 6.638 -2.396 10.043 1.00 1.53 O ATOM 98 CB PHE A 7 6.123 -0.882 12.708 1.00 62.03 C ATOM 99 CG PHE A 7 7.340 0.041 12.781 1.00 42.52 C ATOM 100 CD1 PHE A 7 7.192 1.378 13.102 1.00 72.01 C ATOM 101 CD2 PHE A 7 8.623 -0.433 12.531 1.00 60.05 C ATOM 102 CE1 PHE A 7 8.281 2.217 13.173 1.00 4.41 C ATOM 103 CE2 PHE A 7 9.717 0.403 12.599 1.00 64.33 C ATOM 104 CZ PHE A 7 9.547 1.730 12.921 1.00 42.21 C ATOM 0 H PHE A 7 4.540 -2.755 11.511 1.00 62.31 H new ATOM 0 HA PHE A 7 4.999 0.169 11.193 1.00 64.04 H new ATOM 0 HB2 PHE A 7 5.430 -0.612 13.505 1.00 62.03 H new ATOM 0 HB3 PHE A 7 6.447 -1.905 12.900 1.00 62.03 H new ATOM 0 HD1 PHE A 7 6.206 1.770 13.300 1.00 72.01 H new ATOM 0 HD2 PHE A 7 8.765 -1.474 12.279 1.00 60.05 H new ATOM 0 HE1 PHE A 7 8.144 3.258 13.426 1.00 4.41 H new ATOM 0 HE2 PHE A 7 10.706 0.017 12.400 1.00 64.33 H new ATOM 0 HZ PHE A 7 10.402 2.388 12.976 1.00 42.21 H new ATOM 114 N PHE A 8 6.693 -0.209 9.423 1.00 2.12 N ATOM 115 CA PHE A 8 7.708 -0.334 8.374 1.00 31.43 C ATOM 116 C PHE A 8 8.701 0.820 8.473 1.00 41.34 C ATOM 117 O PHE A 8 8.456 1.837 9.138 1.00 54.23 O ATOM 118 CB PHE A 8 7.087 -0.339 6.951 1.00 62.30 C ATOM 119 CG PHE A 8 6.092 -1.461 6.690 1.00 2.41 C ATOM 120 CD1 PHE A 8 6.440 -2.797 6.880 1.00 14.30 C ATOM 121 CD2 PHE A 8 4.814 -1.174 6.251 1.00 11.34 C ATOM 122 CE1 PHE A 8 5.527 -3.803 6.642 1.00 61.34 C ATOM 123 CE2 PHE A 8 3.903 -2.173 6.013 1.00 53.23 C ATOM 124 CZ PHE A 8 4.257 -3.489 6.210 1.00 71.23 C ATOM 0 H PHE A 8 6.311 0.733 9.503 1.00 2.12 H new ATOM 0 HA PHE A 8 8.211 -1.289 8.528 1.00 31.43 H new ATOM 0 HB2 PHE A 8 6.588 0.616 6.785 1.00 62.30 H new ATOM 0 HB3 PHE A 8 7.892 -0.409 6.219 1.00 62.30 H new ATOM 0 HD1 PHE A 8 7.435 -3.047 7.217 1.00 14.30 H new ATOM 0 HD2 PHE A 8 4.526 -0.145 6.092 1.00 11.34 H new ATOM 0 HE1 PHE A 8 5.807 -4.835 6.794 1.00 61.34 H new ATOM 0 HE2 PHE A 8 2.909 -1.927 5.671 1.00 53.23 H new ATOM 0 HZ PHE A 8 3.539 -4.275 6.026 1.00 71.23 H new ATOM 134 N ASP A 9 9.818 0.635 7.788 1.00 73.21 N ATOM 135 CA ASP A 9 10.853 1.643 7.605 1.00 63.03 C ATOM 136 C ASP A 9 10.967 1.928 6.115 1.00 40.32 C ATOM 137 O ASP A 9 11.334 1.046 5.342 1.00 13.45 O ATOM 138 CB ASP A 9 12.194 1.136 8.185 1.00 42.00 C ATOM 139 CG ASP A 9 12.174 1.062 9.715 1.00 40.12 C ATOM 140 OD1 ASP A 9 12.294 2.127 10.369 1.00 71.52 O ATOM 141 OD2 ASP A 9 12.016 -0.042 10.271 1.00 55.23 O ATOM 0 H ASP A 9 10.037 -0.249 7.329 1.00 73.21 H new ATOM 0 HA ASP A 9 10.598 2.562 8.133 1.00 63.03 H new ATOM 0 HB2 ASP A 9 12.413 0.149 7.778 1.00 42.00 H new ATOM 0 HB3 ASP A 9 12.999 1.798 7.866 1.00 42.00 H new ATOM 146 N ILE A 10 10.591 3.141 5.715 1.00 75.41 N ATOM 147 CA ILE A 10 10.682 3.584 4.325 1.00 50.54 C ATOM 148 C ILE A 10 12.123 4.048 4.044 1.00 72.14 C ATOM 149 O ILE A 10 12.703 4.782 4.851 1.00 73.32 O ATOM 150 CB ILE A 10 9.648 4.729 4.039 1.00 22.34 C ATOM 151 CG1 ILE A 10 8.179 4.238 4.319 1.00 50.44 C ATOM 152 CG2 ILE A 10 9.809 5.286 2.609 1.00 1.14 C ATOM 153 CD1 ILE A 10 7.746 2.966 3.596 1.00 43.31 C ATOM 0 H ILE A 10 10.213 3.847 6.348 1.00 75.41 H new ATOM 0 HA ILE A 10 10.438 2.757 3.659 1.00 50.54 H new ATOM 0 HB ILE A 10 9.853 5.552 4.724 1.00 22.34 H new ATOM 0 HG12 ILE A 10 8.070 4.077 5.391 1.00 50.44 H new ATOM 0 HG13 ILE A 10 7.492 5.039 4.045 1.00 50.44 H new ATOM 0 HG21 ILE A 10 9.078 6.077 2.442 1.00 1.14 H new ATOM 0 HG22 ILE A 10 10.814 5.689 2.486 1.00 1.14 H new ATOM 0 HG23 ILE A 10 9.648 4.486 1.887 1.00 1.14 H new ATOM 0 HD11 ILE A 10 6.718 2.726 3.866 1.00 43.31 H new ATOM 0 HD12 ILE A 10 7.812 3.119 2.519 1.00 43.31 H new ATOM 0 HD13 ILE A 10 8.399 2.143 3.886 1.00 43.31 H new ATOM 165 N ALA A 11 12.690 3.610 2.905 1.00 12.44 N ATOM 166 CA ALA A 11 14.099 3.838 2.562 1.00 55.41 C ATOM 167 C ALA A 11 14.241 4.289 1.103 1.00 51.15 C ATOM 168 O ALA A 11 14.027 3.507 0.189 1.00 35.01 O ATOM 169 CB ALA A 11 14.897 2.551 2.816 1.00 70.12 C ATOM 0 H ALA A 11 12.178 3.086 2.196 1.00 12.44 H new ATOM 0 HA ALA A 11 14.495 4.635 3.191 1.00 55.41 H new ATOM 0 HB1 ALA A 11 15.944 2.716 2.562 1.00 70.12 H new ATOM 0 HB2 ALA A 11 14.817 2.275 3.867 1.00 70.12 H new ATOM 0 HB3 ALA A 11 14.497 1.747 2.199 1.00 70.12 H new ATOM 175 N VAL A 12 14.632 5.549 0.903 1.00 4.44 N ATOM 176 CA VAL A 12 14.845 6.136 -0.434 1.00 23.42 C ATOM 177 C VAL A 12 16.336 6.007 -0.781 1.00 61.32 C ATOM 178 O VAL A 12 17.179 6.369 0.042 1.00 54.34 O ATOM 179 CB VAL A 12 14.393 7.640 -0.452 1.00 74.14 C ATOM 180 CG1 VAL A 12 14.714 8.330 -1.798 1.00 31.10 C ATOM 181 CG2 VAL A 12 12.887 7.751 -0.119 1.00 52.33 C ATOM 0 H VAL A 12 14.813 6.201 1.666 1.00 4.44 H new ATOM 0 HA VAL A 12 14.247 5.608 -1.177 1.00 23.42 H new ATOM 0 HB VAL A 12 14.963 8.164 0.315 1.00 74.14 H new ATOM 0 HG11 VAL A 12 14.383 9.368 -1.763 1.00 31.10 H new ATOM 0 HG12 VAL A 12 15.789 8.298 -1.976 1.00 31.10 H new ATOM 0 HG13 VAL A 12 14.197 7.812 -2.605 1.00 31.10 H new ATOM 0 HG21 VAL A 12 12.587 8.799 -0.135 1.00 52.33 H new ATOM 0 HG22 VAL A 12 12.309 7.197 -0.859 1.00 52.33 H new ATOM 0 HG23 VAL A 12 12.702 7.336 0.872 1.00 52.33 H new ATOM 191 N ASP A 13 16.632 5.458 -1.989 1.00 72.03 N ATOM 192 CA ASP A 13 18.002 5.061 -2.429 1.00 51.30 C ATOM 193 C ASP A 13 18.498 3.844 -1.619 1.00 43.35 C ATOM 194 O ASP A 13 19.685 3.506 -1.664 1.00 74.42 O ATOM 195 CB ASP A 13 19.034 6.239 -2.318 1.00 31.32 C ATOM 196 CG ASP A 13 18.768 7.404 -3.284 1.00 53.13 C ATOM 197 OD1 ASP A 13 19.085 7.276 -4.491 1.00 33.14 O ATOM 198 OD2 ASP A 13 18.226 8.446 -2.853 1.00 32.52 O ATOM 0 H ASP A 13 15.919 5.275 -2.695 1.00 72.03 H new ATOM 0 HA ASP A 13 17.930 4.791 -3.483 1.00 51.30 H new ATOM 0 HB2 ASP A 13 19.025 6.620 -1.297 1.00 31.32 H new ATOM 0 HB3 ASP A 13 20.035 5.849 -2.504 1.00 31.32 H new ATOM 203 N GLY A 14 17.569 3.172 -0.899 1.00 52.34 N ATOM 204 CA GLY A 14 17.928 2.151 0.096 1.00 51.52 C ATOM 205 C GLY A 14 18.359 2.755 1.438 1.00 71.44 C ATOM 206 O GLY A 14 18.640 2.017 2.391 1.00 11.13 O ATOM 0 H GLY A 14 16.565 3.324 -0.994 1.00 52.34 H new ATOM 0 HA2 GLY A 14 17.075 1.491 0.257 1.00 51.52 H new ATOM 0 HA3 GLY A 14 18.737 1.536 -0.297 1.00 51.52 H new ATOM 210 N GLU A 15 18.404 4.102 1.507 1.00 74.50 N ATOM 211 CA GLU A 15 18.768 4.852 2.718 1.00 20.04 C ATOM 212 C GLU A 15 17.491 5.209 3.504 1.00 3.22 C ATOM 213 O GLU A 15 16.630 5.919 2.956 1.00 21.55 O ATOM 214 CB GLU A 15 19.524 6.146 2.329 1.00 43.44 C ATOM 215 CG GLU A 15 20.805 5.914 1.510 1.00 33.44 C ATOM 216 CD GLU A 15 21.917 5.182 2.289 1.00 32.40 C ATOM 217 OE1 GLU A 15 22.651 5.846 3.051 1.00 1.43 O ATOM 218 OE2 GLU A 15 22.061 3.949 2.150 1.00 62.03 O ATOM 0 H GLU A 15 18.185 4.702 0.712 1.00 74.50 H new ATOM 0 HA GLU A 15 19.417 4.237 3.342 1.00 20.04 H new ATOM 0 HB2 GLU A 15 18.853 6.786 1.756 1.00 43.44 H new ATOM 0 HB3 GLU A 15 19.782 6.688 3.239 1.00 43.44 H new ATOM 0 HG2 GLU A 15 20.557 5.336 0.620 1.00 33.44 H new ATOM 0 HG3 GLU A 15 21.186 6.876 1.169 1.00 33.44 H new ATOM 225 N PRO A 16 17.339 4.700 4.776 1.00 1.14 N ATOM 226 CA PRO A 16 16.164 4.978 5.647 1.00 21.50 C ATOM 227 C PRO A 16 15.751 6.471 5.677 1.00 22.23 C ATOM 228 O PRO A 16 16.429 7.300 6.289 1.00 51.40 O ATOM 229 CB PRO A 16 16.644 4.488 7.037 1.00 34.45 C ATOM 230 CG PRO A 16 17.601 3.375 6.735 1.00 70.31 C ATOM 231 CD PRO A 16 18.302 3.778 5.449 1.00 32.42 C ATOM 0 HA PRO A 16 15.263 4.479 5.289 1.00 21.50 H new ATOM 0 HB2 PRO A 16 17.130 5.289 7.594 1.00 34.45 H new ATOM 0 HB3 PRO A 16 15.809 4.139 7.645 1.00 34.45 H new ATOM 0 HG2 PRO A 16 18.316 3.242 7.547 1.00 70.31 H new ATOM 0 HG3 PRO A 16 17.075 2.428 6.615 1.00 70.31 H new ATOM 0 HD2 PRO A 16 19.251 4.274 5.652 1.00 32.42 H new ATOM 0 HD3 PRO A 16 18.522 2.910 4.827 1.00 32.42 H new ATOM 239 N LEU A 17 14.642 6.791 4.981 1.00 71.54 N ATOM 240 CA LEU A 17 14.089 8.159 4.909 1.00 61.42 C ATOM 241 C LEU A 17 13.361 8.486 6.224 1.00 23.20 C ATOM 242 O LEU A 17 13.385 9.628 6.694 1.00 64.11 O ATOM 243 CB LEU A 17 13.092 8.276 3.719 1.00 74.41 C ATOM 244 CG LEU A 17 12.476 9.702 3.475 1.00 51.35 C ATOM 245 CD1 LEU A 17 13.527 10.680 2.906 1.00 72.01 C ATOM 246 CD2 LEU A 17 11.226 9.632 2.576 1.00 65.24 C ATOM 0 H LEU A 17 14.103 6.106 4.451 1.00 71.54 H new ATOM 0 HA LEU A 17 14.906 8.864 4.755 1.00 61.42 H new ATOM 0 HB2 LEU A 17 13.604 7.963 2.809 1.00 74.41 H new ATOM 0 HB3 LEU A 17 12.276 7.573 3.884 1.00 74.41 H new ATOM 0 HG LEU A 17 12.158 10.090 4.443 1.00 51.35 H new ATOM 0 HD11 LEU A 17 13.068 11.656 2.749 1.00 72.01 H new ATOM 0 HD12 LEU A 17 14.353 10.776 3.610 1.00 72.01 H new ATOM 0 HD13 LEU A 17 13.902 10.299 1.956 1.00 72.01 H new ATOM 0 HD21 LEU A 17 10.827 10.636 2.429 1.00 65.24 H new ATOM 0 HD22 LEU A 17 11.496 9.204 1.611 1.00 65.24 H new ATOM 0 HD23 LEU A 17 10.470 9.007 3.052 1.00 65.24 H new ATOM 258 N GLY A 18 12.717 7.464 6.798 1.00 51.22 N ATOM 259 CA GLY A 18 12.009 7.597 8.067 1.00 72.22 C ATOM 260 C GLY A 18 11.106 6.411 8.330 1.00 3.44 C ATOM 261 O GLY A 18 11.067 5.463 7.532 1.00 34.50 O ATOM 0 H GLY A 18 12.674 6.528 6.395 1.00 51.22 H new ATOM 0 HA2 GLY A 18 12.731 7.692 8.878 1.00 72.22 H new ATOM 0 HA3 GLY A 18 11.416 8.512 8.059 1.00 72.22 H new ATOM 265 N ARG A 19 10.356 6.468 9.433 1.00 24.25 N ATOM 266 CA ARG A 19 9.500 5.354 9.872 1.00 43.22 C ATOM 267 C ARG A 19 8.029 5.689 9.616 1.00 14.43 C ATOM 268 O ARG A 19 7.633 6.860 9.653 1.00 42.13 O ATOM 269 CB ARG A 19 9.731 5.054 11.374 1.00 73.11 C ATOM 270 CG ARG A 19 9.227 6.136 12.362 1.00 30.50 C ATOM 271 CD ARG A 19 9.433 5.740 13.838 1.00 51.14 C ATOM 272 NE ARG A 19 8.636 6.587 14.755 1.00 2.31 N ATOM 273 CZ ARG A 19 7.618 6.154 15.526 1.00 53.25 C ATOM 274 NH1 ARG A 19 7.247 4.869 15.521 1.00 74.03 N ATOM 275 NH2 ARG A 19 6.966 7.011 16.297 1.00 1.52 N ATOM 0 H ARG A 19 10.322 7.282 10.047 1.00 24.25 H new ATOM 0 HA ARG A 19 9.762 4.465 9.299 1.00 43.22 H new ATOM 0 HB2 ARG A 19 9.241 4.111 11.616 1.00 73.11 H new ATOM 0 HB3 ARG A 19 10.799 4.910 11.536 1.00 73.11 H new ATOM 0 HG2 ARG A 19 9.749 7.072 12.166 1.00 30.50 H new ATOM 0 HG3 ARG A 19 8.167 6.319 12.184 1.00 30.50 H new ATOM 0 HD2 ARG A 19 9.155 4.695 13.975 1.00 51.14 H new ATOM 0 HD3 ARG A 19 10.490 5.825 14.092 1.00 51.14 H new ATOM 0 HE ARG A 19 8.876 7.577 14.808 1.00 2.31 H new ATOM 0 HH11 ARG A 19 7.736 4.199 14.928 1.00 74.03 H new ATOM 0 HH12 ARG A 19 6.475 4.559 16.111 1.00 74.03 H new ATOM 0 HH21 ARG A 19 7.234 7.995 16.306 1.00 1.52 H new ATOM 0 HH22 ARG A 19 6.195 6.687 16.882 1.00 1.52 H new ATOM 289 N VAL A 20 7.232 4.649 9.326 1.00 61.23 N ATOM 290 CA VAL A 20 5.782 4.762 9.117 1.00 25.41 C ATOM 291 C VAL A 20 5.088 3.600 9.848 1.00 72.04 C ATOM 292 O VAL A 20 5.615 2.489 9.888 1.00 12.43 O ATOM 293 CB VAL A 20 5.401 4.731 7.582 1.00 42.23 C ATOM 294 CG1 VAL A 20 3.874 4.827 7.375 1.00 22.43 C ATOM 295 CG2 VAL A 20 6.116 5.847 6.788 1.00 63.24 C ATOM 0 H VAL A 20 7.581 3.696 9.229 1.00 61.23 H new ATOM 0 HA VAL A 20 5.450 5.721 9.514 1.00 25.41 H new ATOM 0 HB VAL A 20 5.742 3.770 7.197 1.00 42.23 H new ATOM 0 HG11 VAL A 20 3.649 4.803 6.309 1.00 22.43 H new ATOM 0 HG12 VAL A 20 3.386 3.986 7.868 1.00 22.43 H new ATOM 0 HG13 VAL A 20 3.507 5.760 7.802 1.00 22.43 H new ATOM 0 HG21 VAL A 20 5.826 5.790 5.739 1.00 63.24 H new ATOM 0 HG22 VAL A 20 5.831 6.819 7.190 1.00 63.24 H new ATOM 0 HG23 VAL A 20 7.195 5.720 6.874 1.00 63.24 H new ATOM 305 N SER A 21 3.922 3.871 10.448 1.00 2.25 N ATOM 306 CA SER A 21 3.077 2.844 11.068 1.00 21.33 C ATOM 307 C SER A 21 1.634 3.014 10.551 1.00 50.44 C ATOM 308 O SER A 21 1.117 4.138 10.510 1.00 13.41 O ATOM 309 CB SER A 21 3.126 2.962 12.605 1.00 41.34 C ATOM 310 OG SER A 21 4.458 2.985 13.085 1.00 23.32 O ATOM 0 H SER A 21 3.537 4.813 10.517 1.00 2.25 H new ATOM 0 HA SER A 21 3.444 1.853 10.801 1.00 21.33 H new ATOM 0 HB2 SER A 21 2.611 3.870 12.917 1.00 41.34 H new ATOM 0 HB3 SER A 21 2.592 2.123 13.052 1.00 41.34 H new ATOM 0 HG SER A 21 4.452 3.062 14.062 1.00 23.32 H new ATOM 316 N PHE A 22 1.004 1.901 10.136 1.00 34.25 N ATOM 317 CA PHE A 22 -0.372 1.894 9.605 1.00 25.41 C ATOM 318 C PHE A 22 -1.304 1.180 10.593 1.00 70.13 C ATOM 319 O PHE A 22 -1.039 0.038 10.975 1.00 25.51 O ATOM 320 CB PHE A 22 -0.445 1.155 8.245 1.00 53.43 C ATOM 321 CG PHE A 22 0.541 1.632 7.191 1.00 33.24 C ATOM 322 CD1 PHE A 22 1.854 1.167 7.183 1.00 50.14 C ATOM 323 CD2 PHE A 22 0.149 2.510 6.185 1.00 51.12 C ATOM 324 CE1 PHE A 22 2.739 1.570 6.211 1.00 73.52 C ATOM 325 CE2 PHE A 22 1.037 2.901 5.210 1.00 23.33 C ATOM 326 CZ PHE A 22 2.331 2.433 5.225 1.00 10.10 C ATOM 0 H PHE A 22 1.436 0.977 10.159 1.00 34.25 H new ATOM 0 HA PHE A 22 -0.680 2.930 9.465 1.00 25.41 H new ATOM 0 HB2 PHE A 22 -0.279 0.092 8.419 1.00 53.43 H new ATOM 0 HB3 PHE A 22 -1.455 1.259 7.848 1.00 53.43 H new ATOM 0 HD1 PHE A 22 2.181 0.481 7.950 1.00 50.14 H new ATOM 0 HD2 PHE A 22 -0.863 2.888 6.170 1.00 51.12 H new ATOM 0 HE1 PHE A 22 3.756 1.207 6.223 1.00 73.52 H new ATOM 0 HE2 PHE A 22 0.718 3.577 4.431 1.00 23.33 H new ATOM 0 HZ PHE A 22 3.026 2.745 4.460 1.00 10.10 H new ATOM 336 N GLU A 23 -2.382 1.855 10.993 1.00 4.22 N ATOM 337 CA GLU A 23 -3.449 1.259 11.805 1.00 12.23 C ATOM 338 C GLU A 23 -4.351 0.370 10.918 1.00 72.32 C ATOM 339 O GLU A 23 -5.056 0.880 10.039 1.00 20.45 O ATOM 340 CB GLU A 23 -4.285 2.375 12.473 1.00 12.25 C ATOM 341 CG GLU A 23 -5.423 1.860 13.368 1.00 15.31 C ATOM 342 CD GLU A 23 -6.292 2.983 13.938 1.00 24.54 C ATOM 343 OE1 GLU A 23 -5.957 3.533 15.010 1.00 4.23 O ATOM 344 OE2 GLU A 23 -7.309 3.338 13.308 1.00 41.15 O ATOM 0 H GLU A 23 -2.543 2.836 10.763 1.00 4.22 H new ATOM 0 HA GLU A 23 -3.004 0.639 12.584 1.00 12.23 H new ATOM 0 HB2 GLU A 23 -3.623 3.001 13.071 1.00 12.25 H new ATOM 0 HB3 GLU A 23 -4.709 3.011 11.696 1.00 12.25 H new ATOM 0 HG2 GLU A 23 -6.050 1.179 12.792 1.00 15.31 H new ATOM 0 HG3 GLU A 23 -4.999 1.284 14.190 1.00 15.31 H new ATOM 351 N LEU A 24 -4.294 -0.957 11.136 1.00 53.22 N ATOM 352 CA LEU A 24 -5.160 -1.927 10.448 1.00 2.34 C ATOM 353 C LEU A 24 -6.564 -1.923 11.076 1.00 72.13 C ATOM 354 O LEU A 24 -6.712 -2.110 12.289 1.00 54.03 O ATOM 355 CB LEU A 24 -4.567 -3.360 10.521 1.00 54.04 C ATOM 356 CG LEU A 24 -3.163 -3.581 9.883 1.00 40.52 C ATOM 357 CD1 LEU A 24 -2.769 -5.065 9.980 1.00 41.34 C ATOM 358 CD2 LEU A 24 -3.110 -3.084 8.418 1.00 2.34 C ATOM 0 H LEU A 24 -3.644 -1.385 11.796 1.00 53.22 H new ATOM 0 HA LEU A 24 -5.226 -1.631 9.401 1.00 2.34 H new ATOM 0 HB2 LEU A 24 -4.511 -3.650 11.570 1.00 54.04 H new ATOM 0 HB3 LEU A 24 -5.268 -4.041 10.039 1.00 54.04 H new ATOM 0 HG LEU A 24 -2.441 -2.988 10.443 1.00 40.52 H new ATOM 0 HD11 LEU A 24 -1.786 -5.211 9.532 1.00 41.34 H new ATOM 0 HD12 LEU A 24 -2.738 -5.366 11.027 1.00 41.34 H new ATOM 0 HD13 LEU A 24 -3.503 -5.672 9.450 1.00 41.34 H new ATOM 0 HD21 LEU A 24 -2.114 -3.257 8.011 1.00 2.34 H new ATOM 0 HD22 LEU A 24 -3.844 -3.627 7.823 1.00 2.34 H new ATOM 0 HD23 LEU A 24 -3.335 -2.018 8.387 1.00 2.34 H new ATOM 370 N PHE A 25 -7.585 -1.725 10.234 1.00 70.10 N ATOM 371 CA PHE A 25 -8.990 -1.711 10.647 1.00 53.53 C ATOM 372 C PHE A 25 -9.563 -3.138 10.674 1.00 33.41 C ATOM 373 O PHE A 25 -10.518 -3.468 9.962 1.00 22.33 O ATOM 374 CB PHE A 25 -9.806 -0.792 9.716 1.00 72.21 C ATOM 375 CG PHE A 25 -9.299 0.644 9.667 1.00 23.52 C ATOM 376 CD1 PHE A 25 -9.651 1.558 10.654 1.00 34.55 C ATOM 377 CD2 PHE A 25 -8.471 1.078 8.631 1.00 40.52 C ATOM 378 CE1 PHE A 25 -9.190 2.860 10.607 1.00 31.13 C ATOM 379 CE2 PHE A 25 -8.015 2.377 8.589 1.00 51.05 C ATOM 380 CZ PHE A 25 -8.374 3.267 9.576 1.00 3.03 C ATOM 0 H PHE A 25 -7.455 -1.568 9.235 1.00 70.10 H new ATOM 0 HA PHE A 25 -9.057 -1.313 11.660 1.00 53.53 H new ATOM 0 HB2 PHE A 25 -9.791 -1.207 8.708 1.00 72.21 H new ATOM 0 HB3 PHE A 25 -10.845 -0.789 10.044 1.00 72.21 H new ATOM 0 HD1 PHE A 25 -10.292 1.247 11.466 1.00 34.55 H new ATOM 0 HD2 PHE A 25 -8.184 0.387 7.852 1.00 40.52 H new ATOM 0 HE1 PHE A 25 -9.471 3.559 11.381 1.00 31.13 H new ATOM 0 HE2 PHE A 25 -7.375 2.698 7.781 1.00 51.05 H new ATOM 0 HZ PHE A 25 -8.015 4.285 9.541 1.00 3.03 H new ATOM 390 N ALA A 26 -8.979 -3.978 11.549 1.00 61.25 N ATOM 391 CA ALA A 26 -9.402 -5.379 11.736 1.00 23.34 C ATOM 392 C ALA A 26 -10.789 -5.470 12.415 1.00 71.31 C ATOM 393 O ALA A 26 -11.371 -6.554 12.513 1.00 53.25 O ATOM 394 CB ALA A 26 -8.338 -6.147 12.539 1.00 73.24 C ATOM 0 H ALA A 26 -8.199 -3.704 12.147 1.00 61.25 H new ATOM 0 HA ALA A 26 -9.498 -5.840 10.753 1.00 23.34 H new ATOM 0 HB1 ALA A 26 -8.658 -7.180 12.672 1.00 73.24 H new ATOM 0 HB2 ALA A 26 -7.391 -6.127 12.000 1.00 73.24 H new ATOM 0 HB3 ALA A 26 -8.210 -5.678 13.515 1.00 73.24 H new ATOM 400 N ASP A 27 -11.302 -4.325 12.882 1.00 24.00 N ATOM 401 CA ASP A 27 -12.644 -4.219 13.464 1.00 3.30 C ATOM 402 C ASP A 27 -13.730 -4.234 12.359 1.00 41.22 C ATOM 403 O ASP A 27 -14.833 -4.744 12.579 1.00 0.11 O ATOM 404 CB ASP A 27 -12.738 -2.933 14.339 1.00 73.23 C ATOM 405 CG ASP A 27 -12.685 -1.603 13.551 1.00 10.03 C ATOM 406 OD1 ASP A 27 -11.790 -1.431 12.698 1.00 53.13 O ATOM 407 OD2 ASP A 27 -13.527 -0.714 13.792 1.00 21.30 O ATOM 0 H ASP A 27 -10.794 -3.441 12.866 1.00 24.00 H new ATOM 0 HA ASP A 27 -12.823 -5.084 14.102 1.00 3.30 H new ATOM 0 HB2 ASP A 27 -13.668 -2.965 14.907 1.00 73.23 H new ATOM 0 HB3 ASP A 27 -11.922 -2.943 15.062 1.00 73.23 H new ATOM 412 N LYS A 28 -13.400 -3.692 11.162 1.00 23.42 N ATOM 413 CA LYS A 28 -14.360 -3.560 10.034 1.00 54.33 C ATOM 414 C LYS A 28 -14.063 -4.582 8.934 1.00 34.54 C ATOM 415 O LYS A 28 -14.972 -5.263 8.441 1.00 2.02 O ATOM 416 CB LYS A 28 -14.320 -2.126 9.454 1.00 21.23 C ATOM 417 CG LYS A 28 -14.675 -1.038 10.478 1.00 53.24 C ATOM 418 CD LYS A 28 -14.699 0.378 9.879 1.00 65.10 C ATOM 419 CE LYS A 28 -15.015 1.446 10.934 1.00 52.43 C ATOM 420 NZ LYS A 28 -13.973 1.497 11.988 1.00 42.45 N ATOM 0 H LYS A 28 -12.468 -3.336 10.950 1.00 23.42 H new ATOM 0 HA LYS A 28 -15.360 -3.757 10.421 1.00 54.33 H new ATOM 0 HB2 LYS A 28 -13.323 -1.930 9.060 1.00 21.23 H new ATOM 0 HB3 LYS A 28 -15.013 -2.063 8.615 1.00 21.23 H new ATOM 0 HG2 LYS A 28 -15.652 -1.259 10.909 1.00 53.24 H new ATOM 0 HG3 LYS A 28 -13.953 -1.067 11.294 1.00 53.24 H new ATOM 0 HD2 LYS A 28 -13.733 0.594 9.423 1.00 65.10 H new ATOM 0 HD3 LYS A 28 -15.444 0.422 9.084 1.00 65.10 H new ATOM 0 HE2 LYS A 28 -15.095 2.421 10.453 1.00 52.43 H new ATOM 0 HE3 LYS A 28 -15.983 1.234 11.388 1.00 52.43 H new ATOM 0 HZ1 LYS A 28 -14.125 2.334 12.586 1.00 42.45 H new ATOM 0 HZ2 LYS A 28 -14.028 0.639 12.573 1.00 42.45 H new ATOM 0 HZ3 LYS A 28 -13.034 1.554 11.545 1.00 42.45 H new ATOM 434 N VAL A 29 -12.779 -4.679 8.548 1.00 71.32 N ATOM 435 CA VAL A 29 -12.302 -5.609 7.498 1.00 73.55 C ATOM 436 C VAL A 29 -11.198 -6.553 8.076 1.00 30.52 C ATOM 437 O VAL A 29 -10.028 -6.485 7.673 1.00 51.43 O ATOM 438 CB VAL A 29 -11.795 -4.809 6.224 1.00 2.13 C ATOM 439 CG1 VAL A 29 -12.963 -4.089 5.509 1.00 32.44 C ATOM 440 CG2 VAL A 29 -10.693 -3.787 6.590 1.00 52.13 C ATOM 0 H VAL A 29 -12.035 -4.113 8.956 1.00 71.32 H new ATOM 0 HA VAL A 29 -13.134 -6.233 7.172 1.00 73.55 H new ATOM 0 HB VAL A 29 -11.367 -5.544 5.542 1.00 2.13 H new ATOM 0 HG11 VAL A 29 -12.582 -3.551 4.641 1.00 32.44 H new ATOM 0 HG12 VAL A 29 -13.700 -4.824 5.185 1.00 32.44 H new ATOM 0 HG13 VAL A 29 -13.431 -3.384 6.196 1.00 32.44 H new ATOM 0 HG21 VAL A 29 -10.373 -3.260 5.691 1.00 52.13 H new ATOM 0 HG22 VAL A 29 -11.087 -3.070 7.310 1.00 52.13 H new ATOM 0 HG23 VAL A 29 -9.842 -4.310 7.027 1.00 52.13 H new ATOM 450 N PRO A 30 -11.561 -7.486 9.031 1.00 21.02 N ATOM 451 CA PRO A 30 -10.570 -8.373 9.710 1.00 71.10 C ATOM 452 C PRO A 30 -9.848 -9.303 8.722 1.00 42.20 C ATOM 453 O PRO A 30 -8.690 -9.646 8.923 1.00 13.02 O ATOM 454 CB PRO A 30 -11.437 -9.183 10.715 1.00 22.31 C ATOM 455 CG PRO A 30 -12.824 -9.142 10.144 1.00 40.15 C ATOM 456 CD PRO A 30 -12.948 -7.781 9.501 1.00 21.24 C ATOM 0 HA PRO A 30 -9.771 -7.807 10.190 1.00 71.10 H new ATOM 0 HB2 PRO A 30 -11.079 -10.208 10.810 1.00 22.31 H new ATOM 0 HB3 PRO A 30 -11.406 -8.741 11.711 1.00 22.31 H new ATOM 0 HG2 PRO A 30 -12.973 -9.937 9.414 1.00 40.15 H new ATOM 0 HG3 PRO A 30 -13.574 -9.279 10.922 1.00 40.15 H new ATOM 0 HD2 PRO A 30 -13.658 -7.792 8.674 1.00 21.24 H new ATOM 0 HD3 PRO A 30 -13.298 -7.032 10.212 1.00 21.24 H new ATOM 464 N LYS A 31 -10.566 -9.664 7.655 1.00 45.10 N ATOM 465 CA LYS A 31 -10.103 -10.582 6.616 1.00 61.40 C ATOM 466 C LYS A 31 -8.976 -9.949 5.773 1.00 44.15 C ATOM 467 O LYS A 31 -7.895 -10.532 5.605 1.00 63.53 O ATOM 468 CB LYS A 31 -11.322 -10.952 5.732 1.00 51.41 C ATOM 469 CG LYS A 31 -11.048 -12.031 4.676 1.00 25.01 C ATOM 470 CD LYS A 31 -12.307 -12.394 3.869 1.00 41.15 C ATOM 471 CE LYS A 31 -12.085 -13.570 2.916 1.00 74.04 C ATOM 472 NZ LYS A 31 -11.010 -13.298 1.932 1.00 54.42 N ATOM 0 H LYS A 31 -11.510 -9.316 7.487 1.00 45.10 H new ATOM 0 HA LYS A 31 -9.685 -11.480 7.071 1.00 61.40 H new ATOM 0 HB2 LYS A 31 -12.131 -11.293 6.378 1.00 51.41 H new ATOM 0 HB3 LYS A 31 -11.674 -10.052 5.228 1.00 51.41 H new ATOM 0 HG2 LYS A 31 -10.272 -11.681 3.996 1.00 25.01 H new ATOM 0 HG3 LYS A 31 -10.663 -12.925 5.166 1.00 25.01 H new ATOM 0 HD2 LYS A 31 -13.116 -12.639 4.558 1.00 41.15 H new ATOM 0 HD3 LYS A 31 -12.628 -11.524 3.296 1.00 41.15 H new ATOM 0 HE2 LYS A 31 -11.831 -14.460 3.492 1.00 74.04 H new ATOM 0 HE3 LYS A 31 -13.013 -13.787 2.387 1.00 74.04 H new ATOM 0 HZ1 LYS A 31 -11.051 -14.004 1.170 1.00 54.42 H new ATOM 0 HZ2 LYS A 31 -11.139 -12.347 1.531 1.00 54.42 H new ATOM 0 HZ3 LYS A 31 -10.085 -13.352 2.405 1.00 54.42 H new ATOM 486 N THR A 32 -9.244 -8.728 5.282 1.00 33.13 N ATOM 487 CA THR A 32 -8.344 -8.002 4.375 1.00 71.40 C ATOM 488 C THR A 32 -7.123 -7.430 5.142 1.00 32.24 C ATOM 489 O THR A 32 -6.024 -7.304 4.581 1.00 20.43 O ATOM 490 CB THR A 32 -9.131 -6.862 3.641 1.00 62.43 C ATOM 491 OG1 THR A 32 -10.362 -7.387 3.101 1.00 23.25 O ATOM 492 CG2 THR A 32 -8.322 -6.237 2.494 1.00 51.24 C ATOM 0 H THR A 32 -10.097 -8.215 5.505 1.00 33.13 H new ATOM 0 HA THR A 32 -7.964 -8.700 3.629 1.00 71.40 H new ATOM 0 HB THR A 32 -9.330 -6.086 4.381 1.00 62.43 H new ATOM 0 HG1 THR A 32 -10.851 -6.671 2.645 1.00 23.25 H new ATOM 0 HG21 THR A 32 -8.911 -5.453 2.018 1.00 51.24 H new ATOM 0 HG22 THR A 32 -7.401 -5.809 2.890 1.00 51.24 H new ATOM 0 HG23 THR A 32 -8.079 -7.005 1.759 1.00 51.24 H new ATOM 500 N ALA A 33 -7.333 -7.102 6.436 1.00 62.12 N ATOM 501 CA ALA A 33 -6.266 -6.617 7.328 1.00 24.10 C ATOM 502 C ALA A 33 -5.314 -7.771 7.711 1.00 21.01 C ATOM 503 O ALA A 33 -4.092 -7.588 7.722 1.00 14.33 O ATOM 504 CB ALA A 33 -6.877 -5.962 8.578 1.00 73.31 C ATOM 0 H ALA A 33 -8.246 -7.167 6.887 1.00 62.12 H new ATOM 0 HA ALA A 33 -5.681 -5.864 6.801 1.00 24.10 H new ATOM 0 HB1 ALA A 33 -6.079 -5.607 9.230 1.00 73.31 H new ATOM 0 HB2 ALA A 33 -7.502 -5.121 8.279 1.00 73.31 H new ATOM 0 HB3 ALA A 33 -7.484 -6.693 9.112 1.00 73.31 H new ATOM 510 N GLU A 34 -5.905 -8.961 8.000 1.00 10.40 N ATOM 511 CA GLU A 34 -5.157 -10.201 8.334 1.00 15.44 C ATOM 512 C GLU A 34 -4.255 -10.624 7.164 1.00 10.34 C ATOM 513 O GLU A 34 -3.117 -11.058 7.377 1.00 32.33 O ATOM 514 CB GLU A 34 -6.146 -11.351 8.683 1.00 52.43 C ATOM 515 CG GLU A 34 -5.488 -12.715 9.000 1.00 52.01 C ATOM 516 CD GLU A 34 -6.506 -13.811 9.361 1.00 34.44 C ATOM 517 OE1 GLU A 34 -7.050 -14.457 8.441 1.00 11.54 O ATOM 518 OE2 GLU A 34 -6.779 -14.027 10.568 1.00 53.02 O ATOM 0 H GLU A 34 -6.917 -9.086 8.008 1.00 10.40 H new ATOM 0 HA GLU A 34 -4.529 -9.996 9.201 1.00 15.44 H new ATOM 0 HB2 GLU A 34 -6.744 -11.046 9.542 1.00 52.43 H new ATOM 0 HB3 GLU A 34 -6.833 -11.483 7.847 1.00 52.43 H new ATOM 0 HG2 GLU A 34 -4.906 -13.039 8.137 1.00 52.01 H new ATOM 0 HG3 GLU A 34 -4.790 -12.590 9.827 1.00 52.01 H new ATOM 525 N ASN A 35 -4.804 -10.473 5.940 1.00 4.11 N ATOM 526 CA ASN A 35 -4.109 -10.775 4.675 1.00 53.20 C ATOM 527 C ASN A 35 -2.731 -10.073 4.617 1.00 54.42 C ATOM 528 O ASN A 35 -1.686 -10.732 4.715 1.00 52.34 O ATOM 529 CB ASN A 35 -5.003 -10.347 3.474 1.00 1.24 C ATOM 530 CG ASN A 35 -4.358 -10.571 2.101 1.00 1.55 C ATOM 531 OD1 ASN A 35 -3.657 -11.550 1.879 1.00 1.04 O ATOM 532 ND2 ASN A 35 -4.569 -9.648 1.179 1.00 0.51 N ATOM 0 H ASN A 35 -5.756 -10.133 5.803 1.00 4.11 H new ATOM 0 HA ASN A 35 -3.931 -11.849 4.618 1.00 53.20 H new ATOM 0 HB2 ASN A 35 -5.941 -10.901 3.518 1.00 1.24 H new ATOM 0 HB3 ASN A 35 -5.252 -9.291 3.579 1.00 1.24 H new ATOM 0 HD21 ASN A 35 -4.144 -9.742 0.257 1.00 0.51 H new ATOM 0 HD22 ASN A 35 -5.157 -8.842 1.390 1.00 0.51 H new ATOM 539 N PHE A 36 -2.757 -8.728 4.544 1.00 21.14 N ATOM 540 CA PHE A 36 -1.543 -7.905 4.399 1.00 21.42 C ATOM 541 C PHE A 36 -0.597 -8.069 5.604 1.00 42.21 C ATOM 542 O PHE A 36 0.625 -8.091 5.431 1.00 5.14 O ATOM 543 CB PHE A 36 -1.931 -6.422 4.213 1.00 15.15 C ATOM 544 CG PHE A 36 -0.744 -5.461 4.052 1.00 20.44 C ATOM 545 CD1 PHE A 36 -0.127 -5.283 2.811 1.00 54.52 C ATOM 546 CD2 PHE A 36 -0.248 -4.733 5.144 1.00 45.33 C ATOM 547 CE1 PHE A 36 0.942 -4.417 2.666 1.00 25.14 C ATOM 548 CE2 PHE A 36 0.817 -3.871 4.993 1.00 23.31 C ATOM 549 CZ PHE A 36 1.413 -3.714 3.757 1.00 43.23 C ATOM 0 H PHE A 36 -3.619 -8.184 4.584 1.00 21.14 H new ATOM 0 HA PHE A 36 -1.007 -8.249 3.515 1.00 21.42 H new ATOM 0 HB2 PHE A 36 -2.572 -6.336 3.335 1.00 15.15 H new ATOM 0 HB3 PHE A 36 -2.523 -6.105 5.072 1.00 15.15 H new ATOM 0 HD1 PHE A 36 -0.490 -5.829 1.953 1.00 54.52 H new ATOM 0 HD2 PHE A 36 -0.706 -4.849 6.115 1.00 45.33 H new ATOM 0 HE1 PHE A 36 1.408 -4.291 1.700 1.00 25.14 H new ATOM 0 HE2 PHE A 36 1.186 -3.317 5.843 1.00 23.31 H new ATOM 0 HZ PHE A 36 2.249 -3.040 3.644 1.00 43.23 H new ATOM 559 N ARG A 37 -1.182 -8.184 6.807 1.00 51.55 N ATOM 560 CA ARG A 37 -0.430 -8.346 8.062 1.00 35.13 C ATOM 561 C ARG A 37 0.450 -9.612 8.016 1.00 60.32 C ATOM 562 O ARG A 37 1.634 -9.562 8.351 1.00 62.42 O ATOM 563 CB ARG A 37 -1.414 -8.414 9.253 1.00 51.30 C ATOM 564 CG ARG A 37 -0.753 -8.488 10.643 1.00 22.23 C ATOM 565 CD ARG A 37 -1.783 -8.533 11.780 1.00 31.43 C ATOM 566 NE ARG A 37 -1.165 -8.780 13.094 1.00 51.40 N ATOM 567 CZ ARG A 37 -1.797 -8.686 14.271 1.00 12.40 C ATOM 568 NH1 ARG A 37 -3.082 -8.339 14.335 1.00 64.01 N ATOM 569 NH2 ARG A 37 -1.136 -8.944 15.392 1.00 3.33 N ATOM 0 H ARG A 37 -2.194 -8.167 6.937 1.00 51.55 H new ATOM 0 HA ARG A 37 0.227 -7.486 8.190 1.00 35.13 H new ATOM 0 HB2 ARG A 37 -2.060 -7.537 9.221 1.00 51.30 H new ATOM 0 HB3 ARG A 37 -2.055 -9.286 9.126 1.00 51.30 H new ATOM 0 HG2 ARG A 37 -0.120 -9.374 10.695 1.00 22.23 H new ATOM 0 HG3 ARG A 37 -0.103 -7.624 10.779 1.00 22.23 H new ATOM 0 HD2 ARG A 37 -2.327 -7.589 11.810 1.00 31.43 H new ATOM 0 HD3 ARG A 37 -2.513 -9.315 11.573 1.00 31.43 H new ATOM 0 HE ARG A 37 -0.180 -9.043 13.109 1.00 51.40 H new ATOM 0 HH11 ARG A 37 -3.600 -8.140 13.479 1.00 64.01 H new ATOM 0 HH12 ARG A 37 -3.548 -8.272 15.240 1.00 64.01 H new ATOM 0 HH21 ARG A 37 -0.153 -9.212 15.354 1.00 3.33 H new ATOM 0 HH22 ARG A 37 -1.611 -8.874 16.292 1.00 3.33 H new ATOM 583 N ALA A 38 -0.147 -10.722 7.544 1.00 61.33 N ATOM 584 CA ALA A 38 0.533 -12.023 7.429 1.00 12.03 C ATOM 585 C ALA A 38 1.602 -12.012 6.321 1.00 4.24 C ATOM 586 O ALA A 38 2.596 -12.750 6.400 1.00 75.13 O ATOM 587 CB ALA A 38 -0.496 -13.120 7.169 1.00 30.12 C ATOM 0 H ALA A 38 -1.118 -10.741 7.231 1.00 61.33 H new ATOM 0 HA ALA A 38 1.045 -12.222 8.370 1.00 12.03 H new ATOM 0 HB1 ALA A 38 0.011 -14.081 7.084 1.00 30.12 H new ATOM 0 HB2 ALA A 38 -1.206 -13.156 7.995 1.00 30.12 H new ATOM 0 HB3 ALA A 38 -1.028 -12.907 6.242 1.00 30.12 H new ATOM 593 N LEU A 39 1.366 -11.189 5.278 1.00 20.11 N ATOM 594 CA LEU A 39 2.344 -10.951 4.197 1.00 11.42 C ATOM 595 C LEU A 39 3.574 -10.195 4.733 1.00 1.34 C ATOM 596 O LEU A 39 4.695 -10.461 4.314 1.00 1.53 O ATOM 597 CB LEU A 39 1.699 -10.133 3.045 1.00 41.24 C ATOM 598 CG LEU A 39 0.470 -10.783 2.346 1.00 33.41 C ATOM 599 CD1 LEU A 39 -0.142 -9.840 1.293 1.00 44.03 C ATOM 600 CD2 LEU A 39 0.836 -12.141 1.730 1.00 23.14 C ATOM 0 H LEU A 39 0.494 -10.672 5.162 1.00 20.11 H new ATOM 0 HA LEU A 39 2.660 -11.921 3.814 1.00 11.42 H new ATOM 0 HB2 LEU A 39 1.395 -9.164 3.441 1.00 41.24 H new ATOM 0 HB3 LEU A 39 2.462 -9.944 2.290 1.00 41.24 H new ATOM 0 HG LEU A 39 -0.288 -10.958 3.110 1.00 33.41 H new ATOM 0 HD11 LEU A 39 -0.998 -10.325 0.824 1.00 44.03 H new ATOM 0 HD12 LEU A 39 -0.467 -8.918 1.775 1.00 44.03 H new ATOM 0 HD13 LEU A 39 0.605 -9.609 0.534 1.00 44.03 H new ATOM 0 HD21 LEU A 39 -0.043 -12.571 1.249 1.00 23.14 H new ATOM 0 HD22 LEU A 39 1.625 -12.004 0.990 1.00 23.14 H new ATOM 0 HD23 LEU A 39 1.186 -12.813 2.513 1.00 23.14 H new ATOM 612 N SER A 40 3.330 -9.254 5.659 1.00 5.15 N ATOM 613 CA SER A 40 4.369 -8.365 6.215 1.00 63.04 C ATOM 614 C SER A 40 5.234 -9.088 7.269 1.00 20.13 C ATOM 615 O SER A 40 6.461 -8.918 7.308 1.00 54.22 O ATOM 616 CB SER A 40 3.692 -7.125 6.837 1.00 61.52 C ATOM 617 OG SER A 40 2.885 -6.454 5.886 1.00 11.15 O ATOM 0 H SER A 40 2.402 -9.086 6.047 1.00 5.15 H new ATOM 0 HA SER A 40 5.033 -8.060 5.406 1.00 63.04 H new ATOM 0 HB2 SER A 40 3.081 -7.428 7.687 1.00 61.52 H new ATOM 0 HB3 SER A 40 4.453 -6.444 7.218 1.00 61.52 H new ATOM 0 HG SER A 40 2.087 -6.991 5.697 1.00 11.15 H new ATOM 623 N THR A 41 4.570 -9.893 8.116 1.00 32.51 N ATOM 624 CA THR A 41 5.212 -10.604 9.235 1.00 32.22 C ATOM 625 C THR A 41 5.885 -11.905 8.762 1.00 24.21 C ATOM 626 O THR A 41 6.935 -12.297 9.282 1.00 25.33 O ATOM 627 CB THR A 41 4.144 -10.952 10.319 1.00 61.43 C ATOM 628 OG1 THR A 41 3.064 -11.676 9.699 1.00 52.23 O ATOM 629 CG2 THR A 41 3.590 -9.695 11.013 1.00 54.45 C ATOM 0 H THR A 41 3.568 -10.070 8.043 1.00 32.51 H new ATOM 0 HA THR A 41 5.976 -9.948 9.652 1.00 32.22 H new ATOM 0 HB THR A 41 4.627 -11.561 11.083 1.00 61.43 H new ATOM 0 HG1 THR A 41 2.434 -11.042 9.296 1.00 52.23 H new ATOM 0 HG21 THR A 41 2.851 -9.987 11.759 1.00 54.45 H new ATOM 0 HG22 THR A 41 4.405 -9.159 11.500 1.00 54.45 H new ATOM 0 HG23 THR A 41 3.122 -9.047 10.272 1.00 54.45 H new ATOM 637 N GLY A 42 5.279 -12.541 7.747 1.00 15.41 N ATOM 638 CA GLY A 42 5.751 -13.820 7.226 1.00 33.22 C ATOM 639 C GLY A 42 5.080 -15.020 7.873 1.00 0.54 C ATOM 640 O GLY A 42 5.653 -16.116 7.872 1.00 64.13 O ATOM 0 H GLY A 42 4.452 -12.180 7.271 1.00 15.41 H new ATOM 0 HA2 GLY A 42 5.577 -13.852 6.150 1.00 33.22 H new ATOM 0 HA3 GLY A 42 6.828 -13.890 7.377 1.00 33.22 H new ATOM 644 N GLU A 43 3.855 -14.819 8.411 1.00 4.45 N ATOM 645 CA GLU A 43 3.021 -15.922 8.949 1.00 53.21 C ATOM 646 C GLU A 43 2.679 -16.954 7.860 1.00 23.32 C ATOM 647 O GLU A 43 2.459 -18.131 8.149 1.00 44.10 O ATOM 648 CB GLU A 43 1.707 -15.371 9.570 1.00 1.14 C ATOM 649 CG GLU A 43 1.902 -14.512 10.830 1.00 65.24 C ATOM 650 CD GLU A 43 2.600 -15.262 11.980 1.00 4.41 C ATOM 651 OE1 GLU A 43 1.962 -16.134 12.610 1.00 21.42 O ATOM 652 OE2 GLU A 43 3.792 -14.996 12.251 1.00 42.53 O ATOM 0 H GLU A 43 3.420 -13.900 8.485 1.00 4.45 H new ATOM 0 HA GLU A 43 3.606 -16.416 9.725 1.00 53.21 H new ATOM 0 HB2 GLU A 43 1.188 -14.776 8.818 1.00 1.14 H new ATOM 0 HB3 GLU A 43 1.058 -16.211 9.817 1.00 1.14 H new ATOM 0 HG2 GLU A 43 2.489 -13.630 10.572 1.00 65.24 H new ATOM 0 HG3 GLU A 43 0.930 -14.159 11.174 1.00 65.24 H new ATOM 659 N LYS A 44 2.628 -16.482 6.606 1.00 1.32 N ATOM 660 CA LYS A 44 2.297 -17.306 5.435 1.00 2.44 C ATOM 661 C LYS A 44 3.543 -17.592 4.584 1.00 31.44 C ATOM 662 O LYS A 44 3.432 -18.013 3.425 1.00 60.12 O ATOM 663 CB LYS A 44 1.204 -16.571 4.623 1.00 32.44 C ATOM 664 CG LYS A 44 -0.110 -16.365 5.405 1.00 54.12 C ATOM 665 CD LYS A 44 -0.835 -17.686 5.744 1.00 25.51 C ATOM 666 CE LYS A 44 -1.346 -18.417 4.489 1.00 73.21 C ATOM 667 NZ LYS A 44 -1.849 -19.770 4.812 1.00 1.35 N ATOM 0 H LYS A 44 2.817 -15.507 6.374 1.00 1.32 H new ATOM 0 HA LYS A 44 1.920 -18.277 5.757 1.00 2.44 H new ATOM 0 HB2 LYS A 44 1.587 -15.600 4.309 1.00 32.44 H new ATOM 0 HB3 LYS A 44 0.993 -17.138 3.716 1.00 32.44 H new ATOM 0 HG2 LYS A 44 0.106 -15.830 6.330 1.00 54.12 H new ATOM 0 HG3 LYS A 44 -0.777 -15.733 4.819 1.00 54.12 H new ATOM 0 HD2 LYS A 44 -0.155 -18.340 6.290 1.00 25.51 H new ATOM 0 HD3 LYS A 44 -1.675 -17.476 6.406 1.00 25.51 H new ATOM 0 HE2 LYS A 44 -2.142 -17.833 4.027 1.00 73.21 H new ATOM 0 HE3 LYS A 44 -0.541 -18.493 3.758 1.00 73.21 H new ATOM 0 HZ1 LYS A 44 -2.185 -20.232 3.943 1.00 1.35 H new ATOM 0 HZ2 LYS A 44 -1.082 -20.335 5.230 1.00 1.35 H new ATOM 0 HZ3 LYS A 44 -2.634 -19.696 5.490 1.00 1.35 H new ATOM 681 N GLY A 45 4.736 -17.358 5.170 1.00 14.00 N ATOM 682 CA GLY A 45 6.008 -17.670 4.515 1.00 44.30 C ATOM 683 C GLY A 45 6.546 -16.545 3.641 1.00 63.30 C ATOM 684 O GLY A 45 7.764 -16.358 3.562 1.00 1.02 O ATOM 0 H GLY A 45 4.837 -16.952 6.100 1.00 14.00 H new ATOM 0 HA2 GLY A 45 6.749 -17.910 5.278 1.00 44.30 H new ATOM 0 HA3 GLY A 45 5.880 -18.563 3.903 1.00 44.30 H new ATOM 688 N PHE A 46 5.634 -15.792 2.988 1.00 75.31 N ATOM 689 CA PHE A 46 5.987 -14.816 1.934 1.00 12.25 C ATOM 690 C PHE A 46 6.885 -13.685 2.483 1.00 53.45 C ATOM 691 O PHE A 46 7.913 -13.373 1.877 1.00 71.30 O ATOM 692 CB PHE A 46 4.693 -14.252 1.283 1.00 22.41 C ATOM 693 CG PHE A 46 3.682 -15.339 0.885 1.00 22.34 C ATOM 694 CD1 PHE A 46 4.075 -16.431 0.111 1.00 32.32 C ATOM 695 CD2 PHE A 46 2.352 -15.280 1.300 1.00 40.33 C ATOM 696 CE1 PHE A 46 3.172 -17.422 -0.227 1.00 52.34 C ATOM 697 CE2 PHE A 46 1.452 -16.269 0.958 1.00 71.34 C ATOM 698 CZ PHE A 46 1.862 -17.338 0.196 1.00 53.21 C ATOM 0 H PHE A 46 4.633 -15.844 3.177 1.00 75.31 H new ATOM 0 HA PHE A 46 6.566 -15.330 1.167 1.00 12.25 H new ATOM 0 HB2 PHE A 46 4.217 -13.562 1.979 1.00 22.41 H new ATOM 0 HB3 PHE A 46 4.963 -13.676 0.398 1.00 22.41 H new ATOM 0 HD1 PHE A 46 5.098 -16.503 -0.229 1.00 32.32 H new ATOM 0 HD2 PHE A 46 2.020 -14.445 1.900 1.00 40.33 H new ATOM 0 HE1 PHE A 46 3.493 -18.263 -0.823 1.00 52.34 H new ATOM 0 HE2 PHE A 46 0.426 -16.203 1.289 1.00 71.34 H new ATOM 0 HZ PHE A 46 1.158 -18.112 -0.071 1.00 53.21 H new ATOM 708 N GLY A 47 6.478 -13.121 3.647 1.00 44.04 N ATOM 709 CA GLY A 47 7.312 -12.209 4.453 1.00 32.53 C ATOM 710 C GLY A 47 8.005 -11.096 3.673 1.00 75.41 C ATOM 711 O GLY A 47 9.230 -10.997 3.725 1.00 34.23 O ATOM 0 H GLY A 47 5.557 -13.290 4.051 1.00 44.04 H new ATOM 0 HA2 GLY A 47 6.686 -11.756 5.222 1.00 32.53 H new ATOM 0 HA3 GLY A 47 8.072 -12.797 4.967 1.00 32.53 H new ATOM 715 N TYR A 48 7.211 -10.276 2.951 1.00 51.21 N ATOM 716 CA TYR A 48 7.714 -9.218 2.048 1.00 30.11 C ATOM 717 C TYR A 48 8.654 -8.215 2.759 1.00 21.11 C ATOM 718 O TYR A 48 8.222 -7.220 3.349 1.00 35.51 O ATOM 719 CB TYR A 48 6.526 -8.503 1.344 1.00 4.42 C ATOM 720 CG TYR A 48 5.880 -9.369 0.254 1.00 50.31 C ATOM 721 CD1 TYR A 48 6.571 -9.627 -0.930 1.00 64.01 C ATOM 722 CD2 TYR A 48 4.602 -9.927 0.401 1.00 41.45 C ATOM 723 CE1 TYR A 48 6.024 -10.402 -1.924 1.00 52.44 C ATOM 724 CE2 TYR A 48 4.052 -10.709 -0.601 1.00 74.32 C ATOM 725 CZ TYR A 48 4.773 -10.938 -1.758 1.00 32.13 C ATOM 726 OH TYR A 48 4.239 -11.692 -2.765 1.00 50.10 O ATOM 0 H TYR A 48 6.193 -10.330 2.979 1.00 51.21 H new ATOM 0 HA TYR A 48 8.326 -9.702 1.287 1.00 30.11 H new ATOM 0 HB2 TYR A 48 5.773 -8.239 2.087 1.00 4.42 H new ATOM 0 HB3 TYR A 48 6.878 -7.571 0.902 1.00 4.42 H new ATOM 0 HD1 TYR A 48 7.557 -9.209 -1.068 1.00 64.01 H new ATOM 0 HD2 TYR A 48 4.040 -9.745 1.305 1.00 41.45 H new ATOM 0 HE1 TYR A 48 6.577 -10.588 -2.833 1.00 52.44 H new ATOM 0 HE2 TYR A 48 3.068 -11.136 -0.479 1.00 74.32 H new ATOM 0 HH TYR A 48 4.841 -12.437 -2.970 1.00 50.10 H new ATOM 736 N LYS A 49 9.947 -8.548 2.702 1.00 52.14 N ATOM 737 CA LYS A 49 11.042 -7.781 3.290 1.00 13.23 C ATOM 738 C LYS A 49 11.866 -7.157 2.156 1.00 43.24 C ATOM 739 O LYS A 49 12.392 -7.884 1.306 1.00 35.32 O ATOM 740 CB LYS A 49 11.897 -8.750 4.148 1.00 51.43 C ATOM 741 CG LYS A 49 13.080 -8.113 4.893 1.00 60.32 C ATOM 742 CD LYS A 49 12.643 -7.098 5.968 1.00 34.10 C ATOM 743 CE LYS A 49 13.836 -6.566 6.767 1.00 61.55 C ATOM 744 NZ LYS A 49 14.826 -5.874 5.901 1.00 40.54 N ATOM 0 H LYS A 49 10.269 -9.391 2.227 1.00 52.14 H new ATOM 0 HA LYS A 49 10.675 -6.976 3.927 1.00 13.23 H new ATOM 0 HB2 LYS A 49 11.246 -9.229 4.880 1.00 51.43 H new ATOM 0 HB3 LYS A 49 12.281 -9.537 3.500 1.00 51.43 H new ATOM 0 HG2 LYS A 49 13.671 -8.899 5.363 1.00 60.32 H new ATOM 0 HG3 LYS A 49 13.729 -7.614 4.173 1.00 60.32 H new ATOM 0 HD2 LYS A 49 12.124 -6.266 5.492 1.00 34.10 H new ATOM 0 HD3 LYS A 49 11.933 -7.571 6.647 1.00 34.10 H new ATOM 0 HE2 LYS A 49 13.480 -5.876 7.533 1.00 61.55 H new ATOM 0 HE3 LYS A 49 14.323 -7.393 7.284 1.00 61.55 H new ATOM 0 HZ1 LYS A 49 15.671 -6.470 5.795 1.00 40.54 H new ATOM 0 HZ2 LYS A 49 14.406 -5.699 4.966 1.00 40.54 H new ATOM 0 HZ3 LYS A 49 15.094 -4.968 6.335 1.00 40.54 H new ATOM 758 N GLY A 50 11.968 -5.815 2.144 1.00 50.44 N ATOM 759 CA GLY A 50 12.662 -5.101 1.065 1.00 43.44 C ATOM 760 C GLY A 50 11.760 -4.812 -0.126 1.00 24.20 C ATOM 761 O GLY A 50 12.251 -4.599 -1.243 1.00 0.01 O ATOM 0 H GLY A 50 11.580 -5.209 2.867 1.00 50.44 H new ATOM 0 HA2 GLY A 50 13.057 -4.162 1.452 1.00 43.44 H new ATOM 0 HA3 GLY A 50 13.515 -5.693 0.734 1.00 43.44 H new ATOM 765 N SER A 51 10.434 -4.826 0.124 1.00 24.41 N ATOM 766 CA SER A 51 9.402 -4.606 -0.897 1.00 72.31 C ATOM 767 C SER A 51 9.536 -3.184 -1.497 1.00 13.02 C ATOM 768 O SER A 51 9.404 -2.183 -0.780 1.00 64.14 O ATOM 769 CB SER A 51 8.007 -4.833 -0.264 1.00 71.01 C ATOM 770 OG SER A 51 6.972 -4.778 -1.226 1.00 70.33 O ATOM 0 H SER A 51 10.051 -4.993 1.054 1.00 24.41 H new ATOM 0 HA SER A 51 9.529 -5.315 -1.715 1.00 72.31 H new ATOM 0 HB2 SER A 51 7.988 -5.803 0.233 1.00 71.01 H new ATOM 0 HB3 SER A 51 7.830 -4.078 0.502 1.00 71.01 H new ATOM 0 HG SER A 51 7.357 -4.607 -2.111 1.00 70.33 H new ATOM 776 N CYS A 52 9.821 -3.123 -2.808 1.00 52.41 N ATOM 777 CA CYS A 52 10.197 -1.884 -3.501 1.00 73.35 C ATOM 778 C CYS A 52 8.989 -1.168 -4.127 1.00 40.44 C ATOM 779 O CYS A 52 8.215 -1.758 -4.895 1.00 32.33 O ATOM 780 CB CYS A 52 11.243 -2.196 -4.589 1.00 74.33 C ATOM 781 SG CYS A 52 10.725 -3.438 -5.798 1.00 33.34 S ATOM 0 H CYS A 52 9.796 -3.939 -3.419 1.00 52.41 H new ATOM 0 HA CYS A 52 10.619 -1.210 -2.756 1.00 73.35 H new ATOM 0 HB2 CYS A 52 11.485 -1.273 -5.117 1.00 74.33 H new ATOM 0 HB3 CYS A 52 12.159 -2.537 -4.107 1.00 74.33 H new ATOM 0 HG CYS A 52 9.602 -3.972 -5.418 1.00 33.34 H new ATOM 787 N PHE A 53 8.841 0.109 -3.768 1.00 44.24 N ATOM 788 CA PHE A 53 7.984 1.061 -4.471 1.00 41.35 C ATOM 789 C PHE A 53 8.544 1.287 -5.887 1.00 41.52 C ATOM 790 O PHE A 53 9.641 1.829 -6.048 1.00 73.24 O ATOM 791 CB PHE A 53 7.883 2.391 -3.677 1.00 71.44 C ATOM 792 CG PHE A 53 7.206 2.253 -2.310 1.00 64.42 C ATOM 793 CD1 PHE A 53 7.900 1.734 -1.212 1.00 34.03 C ATOM 794 CD2 PHE A 53 5.874 2.631 -2.126 1.00 53.12 C ATOM 795 CE1 PHE A 53 7.286 1.599 0.016 1.00 3.12 C ATOM 796 CE2 PHE A 53 5.261 2.495 -0.896 1.00 1.05 C ATOM 797 CZ PHE A 53 5.969 1.978 0.175 1.00 20.22 C ATOM 0 H PHE A 53 9.323 0.516 -2.966 1.00 44.24 H new ATOM 0 HA PHE A 53 6.974 0.659 -4.554 1.00 41.35 H new ATOM 0 HB2 PHE A 53 8.886 2.794 -3.535 1.00 71.44 H new ATOM 0 HB3 PHE A 53 7.329 3.116 -4.273 1.00 71.44 H new ATOM 0 HD1 PHE A 53 8.931 1.435 -1.327 1.00 34.03 H new ATOM 0 HD2 PHE A 53 5.316 3.035 -2.957 1.00 53.12 H new ATOM 0 HE1 PHE A 53 7.837 1.196 0.853 1.00 3.12 H new ATOM 0 HE2 PHE A 53 4.230 2.792 -0.770 1.00 1.05 H new ATOM 0 HZ PHE A 53 5.490 1.871 1.137 1.00 20.22 H new ATOM 807 N HIS A 54 7.797 0.815 -6.900 1.00 73.22 N ATOM 808 CA HIS A 54 8.220 0.866 -8.320 1.00 2.53 C ATOM 809 C HIS A 54 7.165 1.565 -9.202 1.00 61.51 C ATOM 810 O HIS A 54 7.323 1.624 -10.426 1.00 20.23 O ATOM 811 CB HIS A 54 8.538 -0.565 -8.845 1.00 12.34 C ATOM 812 CG HIS A 54 7.405 -1.557 -8.719 1.00 21.31 C ATOM 813 ND1 HIS A 54 7.296 -2.446 -7.668 1.00 24.10 N ATOM 814 CD2 HIS A 54 6.342 -1.808 -9.527 1.00 71.43 C ATOM 815 CE1 HIS A 54 6.220 -3.192 -7.836 1.00 64.31 C ATOM 816 NE2 HIS A 54 5.633 -2.829 -8.956 1.00 40.00 N ATOM 0 H HIS A 54 6.882 0.386 -6.763 1.00 73.22 H new ATOM 0 HA HIS A 54 9.131 1.462 -8.378 1.00 2.53 H new ATOM 0 HB2 HIS A 54 8.825 -0.495 -9.894 1.00 12.34 H new ATOM 0 HB3 HIS A 54 9.401 -0.951 -8.303 1.00 12.34 H new ATOM 0 HD1 HIS A 54 7.945 -2.515 -6.884 1.00 24.10 H new ATOM 0 HD2 HIS A 54 6.102 -1.297 -10.448 1.00 71.43 H new ATOM 0 HE1 HIS A 54 5.879 -3.969 -7.167 1.00 64.31 H new ATOM 0 HE2 HIS A 54 4.783 -3.244 -9.338 1.00 40.00 H new ATOM 825 N ARG A 55 6.099 2.102 -8.572 1.00 74.24 N ATOM 826 CA ARG A 55 5.054 2.860 -9.282 1.00 75.24 C ATOM 827 C ARG A 55 4.476 3.934 -8.346 1.00 52.44 C ATOM 828 O ARG A 55 3.692 3.623 -7.461 1.00 51.34 O ATOM 829 CB ARG A 55 3.931 1.918 -9.796 1.00 61.22 C ATOM 830 CG ARG A 55 2.856 2.633 -10.648 1.00 52.23 C ATOM 831 CD ARG A 55 1.722 1.699 -11.096 1.00 62.13 C ATOM 832 NE ARG A 55 0.752 2.394 -11.957 1.00 2.41 N ATOM 833 CZ ARG A 55 -0.464 2.826 -11.587 1.00 33.44 C ATOM 834 NH1 ARG A 55 -0.900 2.651 -10.348 1.00 4.25 N ATOM 835 NH2 ARG A 55 -1.249 3.402 -12.479 1.00 63.22 N ATOM 0 H ARG A 55 5.942 2.022 -7.567 1.00 74.24 H new ATOM 0 HA ARG A 55 5.500 3.343 -10.151 1.00 75.24 H new ATOM 0 HB2 ARG A 55 4.381 1.122 -10.389 1.00 61.22 H new ATOM 0 HB3 ARG A 55 3.448 1.444 -8.941 1.00 61.22 H new ATOM 0 HG2 ARG A 55 2.434 3.457 -10.073 1.00 52.23 H new ATOM 0 HG3 ARG A 55 3.329 3.068 -11.528 1.00 52.23 H new ATOM 0 HD2 ARG A 55 2.142 0.849 -11.634 1.00 62.13 H new ATOM 0 HD3 ARG A 55 1.211 1.301 -10.219 1.00 62.13 H new ATOM 0 HE ARG A 55 1.029 2.563 -12.924 1.00 2.41 H new ATOM 0 HH11 ARG A 55 -0.309 2.183 -9.661 1.00 4.25 H new ATOM 0 HH12 ARG A 55 -1.826 2.985 -10.081 1.00 4.25 H new ATOM 0 HH21 ARG A 55 -0.930 3.516 -13.441 1.00 63.22 H new ATOM 0 HH22 ARG A 55 -2.174 3.733 -12.206 1.00 63.22 H new ATOM 849 N ILE A 56 4.900 5.194 -8.519 1.00 5.11 N ATOM 850 CA ILE A 56 4.423 6.321 -7.685 1.00 61.31 C ATOM 851 C ILE A 56 4.055 7.522 -8.581 1.00 33.14 C ATOM 852 O ILE A 56 4.809 7.875 -9.494 1.00 71.04 O ATOM 853 CB ILE A 56 5.502 6.766 -6.618 1.00 5.41 C ATOM 854 CG1 ILE A 56 5.859 5.603 -5.632 1.00 44.30 C ATOM 855 CG2 ILE A 56 5.030 8.010 -5.833 1.00 3.32 C ATOM 856 CD1 ILE A 56 6.900 5.954 -4.575 1.00 53.32 C ATOM 0 H ILE A 56 5.577 5.465 -9.232 1.00 5.11 H new ATOM 0 HA ILE A 56 3.541 5.977 -7.145 1.00 61.31 H new ATOM 0 HB ILE A 56 6.406 7.026 -7.169 1.00 5.41 H new ATOM 0 HG12 ILE A 56 4.947 5.279 -5.130 1.00 44.30 H new ATOM 0 HG13 ILE A 56 6.222 4.754 -6.211 1.00 44.30 H new ATOM 0 HG21 ILE A 56 5.792 8.293 -5.107 1.00 3.32 H new ATOM 0 HG22 ILE A 56 4.864 8.836 -6.525 1.00 3.32 H new ATOM 0 HG23 ILE A 56 4.100 7.781 -5.312 1.00 3.32 H new ATOM 0 HD11 ILE A 56 7.081 5.087 -3.940 1.00 53.32 H new ATOM 0 HD12 ILE A 56 7.830 6.247 -5.063 1.00 53.32 H new ATOM 0 HD13 ILE A 56 6.535 6.780 -3.965 1.00 53.32 H new ATOM 868 N ILE A 57 2.881 8.127 -8.301 1.00 61.50 N ATOM 869 CA ILE A 57 2.435 9.392 -8.907 1.00 71.52 C ATOM 870 C ILE A 57 2.279 10.435 -7.771 1.00 72.15 C ATOM 871 O ILE A 57 1.493 10.196 -6.836 1.00 63.14 O ATOM 872 CB ILE A 57 1.068 9.235 -9.680 1.00 51.02 C ATOM 873 CG1 ILE A 57 1.176 8.130 -10.783 1.00 62.25 C ATOM 874 CG2 ILE A 57 0.604 10.591 -10.291 1.00 34.52 C ATOM 875 CD1 ILE A 57 -0.131 7.801 -11.489 1.00 54.24 C ATOM 0 H ILE A 57 2.209 7.742 -7.637 1.00 61.50 H new ATOM 0 HA ILE A 57 3.177 9.712 -9.639 1.00 71.52 H new ATOM 0 HB ILE A 57 0.312 8.922 -8.960 1.00 51.02 H new ATOM 0 HG12 ILE A 57 1.904 8.451 -11.528 1.00 62.25 H new ATOM 0 HG13 ILE A 57 1.566 7.219 -10.328 1.00 62.25 H new ATOM 0 HG21 ILE A 57 -0.340 10.449 -10.817 1.00 34.52 H new ATOM 0 HG22 ILE A 57 0.469 11.322 -9.494 1.00 34.52 H new ATOM 0 HG23 ILE A 57 1.358 10.952 -10.991 1.00 34.52 H new ATOM 0 HD11 ILE A 57 0.044 7.026 -12.235 1.00 54.24 H new ATOM 0 HD12 ILE A 57 -0.859 7.446 -10.760 1.00 54.24 H new ATOM 0 HD13 ILE A 57 -0.515 8.696 -11.979 1.00 54.24 H new ATOM 887 N PRO A 58 3.037 11.588 -7.819 1.00 55.53 N ATOM 888 CA PRO A 58 2.947 12.661 -6.793 1.00 62.21 C ATOM 889 C PRO A 58 1.533 13.272 -6.688 1.00 42.45 C ATOM 890 O PRO A 58 0.808 13.368 -7.693 1.00 5.35 O ATOM 891 CB PRO A 58 3.995 13.716 -7.261 1.00 63.43 C ATOM 892 CG PRO A 58 4.200 13.425 -8.720 1.00 41.15 C ATOM 893 CD PRO A 58 4.047 11.928 -8.857 1.00 12.33 C ATOM 0 HA PRO A 58 3.146 12.280 -5.791 1.00 62.21 H new ATOM 0 HB2 PRO A 58 3.631 14.732 -7.107 1.00 63.43 H new ATOM 0 HB3 PRO A 58 4.927 13.623 -6.703 1.00 63.43 H new ATOM 0 HG2 PRO A 58 3.468 13.952 -9.332 1.00 41.15 H new ATOM 0 HG3 PRO A 58 5.186 13.751 -9.051 1.00 41.15 H new ATOM 0 HD2 PRO A 58 3.708 11.648 -9.854 1.00 12.33 H new ATOM 0 HD3 PRO A 58 4.991 11.410 -8.684 1.00 12.33 H new ATOM 901 N GLY A 59 1.157 13.667 -5.458 1.00 51.33 N ATOM 902 CA GLY A 59 -0.145 14.277 -5.184 1.00 74.15 C ATOM 903 C GLY A 59 -1.327 13.325 -5.368 1.00 51.35 C ATOM 904 O GLY A 59 -2.448 13.777 -5.621 1.00 45.42 O ATOM 0 H GLY A 59 1.749 13.570 -4.633 1.00 51.33 H new ATOM 0 HA2 GLY A 59 -0.151 14.654 -4.161 1.00 74.15 H new ATOM 0 HA3 GLY A 59 -0.278 15.137 -5.841 1.00 74.15 H new ATOM 908 N PHE A 60 -1.082 12.011 -5.238 1.00 3.12 N ATOM 909 CA PHE A 60 -2.101 10.976 -5.490 1.00 5.32 C ATOM 910 C PHE A 60 -1.820 9.730 -4.636 1.00 32.35 C ATOM 911 O PHE A 60 -2.516 9.484 -3.640 1.00 32.43 O ATOM 912 CB PHE A 60 -2.176 10.642 -7.024 1.00 44.12 C ATOM 913 CG PHE A 60 -2.937 9.360 -7.392 1.00 54.41 C ATOM 914 CD1 PHE A 60 -4.227 9.127 -6.919 1.00 23.32 C ATOM 915 CD2 PHE A 60 -2.363 8.394 -8.223 1.00 25.25 C ATOM 916 CE1 PHE A 60 -4.913 7.974 -7.253 1.00 4.32 C ATOM 917 CE2 PHE A 60 -3.050 7.245 -8.558 1.00 34.21 C ATOM 918 CZ PHE A 60 -4.324 7.034 -8.070 1.00 3.32 C ATOM 0 H PHE A 60 -0.176 11.636 -4.956 1.00 3.12 H new ATOM 0 HA PHE A 60 -3.079 11.356 -5.195 1.00 5.32 H new ATOM 0 HB2 PHE A 60 -2.646 11.481 -7.537 1.00 44.12 H new ATOM 0 HB3 PHE A 60 -1.160 10.562 -7.409 1.00 44.12 H new ATOM 0 HD1 PHE A 60 -4.699 9.859 -6.281 1.00 23.32 H new ATOM 0 HD2 PHE A 60 -1.366 8.549 -8.609 1.00 25.25 H new ATOM 0 HE1 PHE A 60 -5.911 7.810 -6.873 1.00 4.32 H new ATOM 0 HE2 PHE A 60 -2.591 6.510 -9.203 1.00 34.21 H new ATOM 0 HZ PHE A 60 -4.859 6.132 -8.329 1.00 3.32 H new ATOM 928 N MET A 61 -0.769 8.973 -5.004 1.00 52.51 N ATOM 929 CA MET A 61 -0.551 7.621 -4.460 1.00 50.02 C ATOM 930 C MET A 61 0.909 7.171 -4.630 1.00 21.21 C ATOM 931 O MET A 61 1.494 7.322 -5.706 1.00 4.12 O ATOM 932 CB MET A 61 -1.491 6.641 -5.207 1.00 30.44 C ATOM 933 CG MET A 61 -1.420 5.179 -4.777 1.00 43.20 C ATOM 934 SD MET A 61 -2.253 4.091 -5.953 1.00 4.41 S ATOM 935 CE MET A 61 -1.197 4.244 -7.397 1.00 41.24 C ATOM 0 H MET A 61 -0.061 9.274 -5.673 1.00 52.51 H new ATOM 0 HA MET A 61 -0.768 7.629 -3.392 1.00 50.02 H new ATOM 0 HB2 MET A 61 -2.517 6.986 -5.079 1.00 30.44 H new ATOM 0 HB3 MET A 61 -1.267 6.696 -6.272 1.00 30.44 H new ATOM 0 HG2 MET A 61 -0.377 4.879 -4.681 1.00 43.20 H new ATOM 0 HG3 MET A 61 -1.876 5.067 -3.793 1.00 43.20 H new ATOM 0 HE1 MET A 61 -1.753 4.717 -8.206 1.00 41.24 H new ATOM 0 HE2 MET A 61 -0.328 4.853 -7.149 1.00 41.24 H new ATOM 0 HE3 MET A 61 -0.868 3.254 -7.713 1.00 41.24 H new ATOM 945 N CYS A 62 1.471 6.592 -3.557 1.00 12.11 N ATOM 946 CA CYS A 62 2.748 5.875 -3.602 1.00 33.31 C ATOM 947 C CYS A 62 2.470 4.360 -3.512 1.00 73.11 C ATOM 948 O CYS A 62 2.028 3.861 -2.471 1.00 52.53 O ATOM 949 CB CYS A 62 3.650 6.366 -2.446 1.00 32.20 C ATOM 950 SG CYS A 62 2.861 6.328 -0.823 1.00 44.10 S ATOM 0 H CYS A 62 1.047 6.610 -2.630 1.00 12.11 H new ATOM 0 HA CYS A 62 3.272 6.071 -4.538 1.00 33.31 H new ATOM 0 HB2 CYS A 62 4.549 5.750 -2.415 1.00 32.20 H new ATOM 0 HB3 CYS A 62 3.970 7.386 -2.658 1.00 32.20 H new ATOM 0 HG CYS A 62 2.835 7.528 -0.325 1.00 44.10 H new ATOM 956 N GLN A 63 2.731 3.637 -4.616 1.00 25.43 N ATOM 957 CA GLN A 63 2.452 2.188 -4.733 1.00 24.35 C ATOM 958 C GLN A 63 3.761 1.374 -4.741 1.00 54.40 C ATOM 959 O GLN A 63 4.725 1.714 -5.450 1.00 21.34 O ATOM 960 CB GLN A 63 1.582 1.907 -6.005 1.00 22.14 C ATOM 961 CG GLN A 63 1.663 0.469 -6.578 1.00 53.32 C ATOM 962 CD GLN A 63 0.601 0.158 -7.633 1.00 14.42 C ATOM 963 OE1 GLN A 63 0.065 1.049 -8.281 1.00 3.35 O ATOM 964 NE2 GLN A 63 0.343 -1.114 -7.858 1.00 52.12 N ATOM 0 H GLN A 63 3.143 4.040 -5.457 1.00 25.43 H new ATOM 0 HA GLN A 63 1.882 1.867 -3.861 1.00 24.35 H new ATOM 0 HB2 GLN A 63 0.541 2.123 -5.764 1.00 22.14 H new ATOM 0 HB3 GLN A 63 1.880 2.606 -6.787 1.00 22.14 H new ATOM 0 HG2 GLN A 63 2.650 0.319 -7.016 1.00 53.32 H new ATOM 0 HG3 GLN A 63 1.566 -0.243 -5.759 1.00 53.32 H new ATOM 0 HE21 GLN A 63 0.805 -1.834 -7.302 1.00 52.12 H new ATOM 0 HE22 GLN A 63 -0.318 -1.379 -8.588 1.00 52.12 H new ATOM 973 N GLY A 64 3.765 0.296 -3.936 1.00 2.40 N ATOM 974 CA GLY A 64 4.898 -0.605 -3.809 1.00 70.04 C ATOM 975 C GLY A 64 4.537 -2.033 -4.143 1.00 62.10 C ATOM 976 O GLY A 64 3.372 -2.348 -4.392 1.00 63.53 O ATOM 0 H GLY A 64 2.969 0.034 -3.355 1.00 2.40 H new ATOM 0 HA2 GLY A 64 5.700 -0.272 -4.468 1.00 70.04 H new ATOM 0 HA3 GLY A 64 5.283 -0.559 -2.790 1.00 70.04 H new ATOM 980 N GLY A 65 5.554 -2.892 -4.142 1.00 12.33 N ATOM 981 CA GLY A 65 5.388 -4.306 -4.446 1.00 4.53 C ATOM 982 C GLY A 65 6.729 -5.003 -4.540 1.00 72.15 C ATOM 983 O GLY A 65 7.751 -4.453 -4.127 1.00 22.22 O ATOM 0 H GLY A 65 6.515 -2.624 -3.930 1.00 12.33 H new ATOM 0 HA2 GLY A 65 4.782 -4.779 -3.673 1.00 4.53 H new ATOM 0 HA3 GLY A 65 4.849 -4.418 -5.387 1.00 4.53 H new ATOM 987 N ASP A 66 6.734 -6.217 -5.084 1.00 62.34 N ATOM 988 CA ASP A 66 7.943 -7.061 -5.157 1.00 14.22 C ATOM 989 C ASP A 66 8.196 -7.518 -6.604 1.00 54.11 C ATOM 990 O ASP A 66 7.294 -7.467 -7.444 1.00 11.33 O ATOM 991 CB ASP A 66 7.775 -8.269 -4.200 1.00 74.51 C ATOM 992 CG ASP A 66 9.036 -9.138 -4.061 1.00 31.45 C ATOM 993 OD1 ASP A 66 10.072 -8.625 -3.617 1.00 42.20 O ATOM 994 OD2 ASP A 66 9.003 -10.327 -4.410 1.00 42.33 O ATOM 0 H ASP A 66 5.905 -6.651 -5.489 1.00 62.34 H new ATOM 0 HA ASP A 66 8.814 -6.485 -4.844 1.00 14.22 H new ATOM 0 HB2 ASP A 66 7.489 -7.901 -3.214 1.00 74.51 H new ATOM 0 HB3 ASP A 66 6.955 -8.892 -4.558 1.00 74.51 H new ATOM 999 N PHE A 67 9.444 -7.940 -6.881 1.00 33.44 N ATOM 1000 CA PHE A 67 9.872 -8.387 -8.217 1.00 65.20 C ATOM 1001 C PHE A 67 9.296 -9.777 -8.551 1.00 73.11 C ATOM 1002 O PHE A 67 9.017 -10.071 -9.720 1.00 53.22 O ATOM 1003 CB PHE A 67 11.423 -8.400 -8.293 1.00 43.13 C ATOM 1004 CG PHE A 67 12.004 -8.727 -9.678 1.00 4.21 C ATOM 1005 CD1 PHE A 67 12.125 -7.734 -10.653 1.00 74.43 C ATOM 1006 CD2 PHE A 67 12.434 -10.021 -10.001 1.00 2.44 C ATOM 1007 CE1 PHE A 67 12.655 -8.023 -11.897 1.00 50.13 C ATOM 1008 CE2 PHE A 67 12.959 -10.302 -11.247 1.00 31.10 C ATOM 1009 CZ PHE A 67 13.069 -9.305 -12.193 1.00 60.33 C ATOM 0 H PHE A 67 10.185 -7.980 -6.181 1.00 33.44 H new ATOM 0 HA PHE A 67 9.486 -7.687 -8.958 1.00 65.20 H new ATOM 0 HB2 PHE A 67 11.795 -7.424 -7.981 1.00 43.13 H new ATOM 0 HB3 PHE A 67 11.801 -9.129 -7.576 1.00 43.13 H new ATOM 0 HD1 PHE A 67 11.800 -6.728 -10.432 1.00 74.43 H new ATOM 0 HD2 PHE A 67 12.354 -10.808 -9.266 1.00 2.44 H new ATOM 0 HE1 PHE A 67 12.745 -7.243 -12.639 1.00 50.13 H new ATOM 0 HE2 PHE A 67 13.284 -11.305 -11.481 1.00 31.10 H new ATOM 0 HZ PHE A 67 13.480 -9.528 -13.167 1.00 60.33 H new ATOM 1019 N THR A 68 9.126 -10.628 -7.519 1.00 71.25 N ATOM 1020 CA THR A 68 8.601 -11.992 -7.701 1.00 74.25 C ATOM 1021 C THR A 68 7.147 -11.932 -8.193 1.00 11.03 C ATOM 1022 O THR A 68 6.256 -11.484 -7.454 1.00 64.32 O ATOM 1023 CB THR A 68 8.695 -12.829 -6.383 1.00 52.42 C ATOM 1024 OG1 THR A 68 10.041 -12.768 -5.882 1.00 4.54 O ATOM 1025 CG2 THR A 68 8.288 -14.306 -6.582 1.00 65.44 C ATOM 0 H THR A 68 9.346 -10.392 -6.551 1.00 71.25 H new ATOM 0 HA THR A 68 9.216 -12.491 -8.450 1.00 74.25 H new ATOM 0 HB THR A 68 7.994 -12.396 -5.670 1.00 52.42 H new ATOM 0 HG1 THR A 68 10.131 -12.000 -5.280 1.00 4.54 H new ATOM 0 HG21 THR A 68 8.373 -14.838 -5.634 1.00 65.44 H new ATOM 0 HG22 THR A 68 7.258 -14.355 -6.935 1.00 65.44 H new ATOM 0 HG23 THR A 68 8.946 -14.769 -7.318 1.00 65.44 H new ATOM 1033 N ARG A 69 6.956 -12.343 -9.469 1.00 52.43 N ATOM 1034 CA ARG A 69 5.652 -12.419 -10.146 1.00 5.14 C ATOM 1035 C ARG A 69 5.055 -11.017 -10.359 1.00 12.32 C ATOM 1036 O ARG A 69 3.835 -10.871 -10.423 1.00 74.13 O ATOM 1037 CB ARG A 69 4.683 -13.364 -9.366 1.00 42.24 C ATOM 1038 CG ARG A 69 5.246 -14.790 -9.168 1.00 51.03 C ATOM 1039 CD ARG A 69 4.386 -15.664 -8.245 1.00 24.33 C ATOM 1040 NE ARG A 69 5.042 -16.960 -7.980 1.00 20.11 N ATOM 1041 CZ ARG A 69 5.508 -17.372 -6.785 1.00 43.45 C ATOM 1042 NH1 ARG A 69 5.403 -16.587 -5.706 1.00 44.42 N ATOM 1043 NH2 ARG A 69 6.082 -18.563 -6.685 1.00 1.53 N ATOM 0 H ARG A 69 7.729 -12.637 -10.066 1.00 52.43 H new ATOM 0 HA ARG A 69 5.799 -12.851 -11.136 1.00 5.14 H new ATOM 0 HB2 ARG A 69 4.468 -12.927 -8.391 1.00 42.24 H new ATOM 0 HB3 ARG A 69 3.737 -13.426 -9.903 1.00 42.24 H new ATOM 0 HG2 ARG A 69 5.332 -15.276 -10.140 1.00 51.03 H new ATOM 0 HG3 ARG A 69 6.253 -14.721 -8.756 1.00 51.03 H new ATOM 0 HD2 ARG A 69 4.210 -15.142 -7.304 1.00 24.33 H new ATOM 0 HD3 ARG A 69 3.411 -15.833 -8.703 1.00 24.33 H new ATOM 0 HE ARG A 69 5.152 -17.597 -8.769 1.00 20.11 H new ATOM 0 HH11 ARG A 69 4.967 -15.668 -5.784 1.00 44.42 H new ATOM 0 HH12 ARG A 69 5.759 -16.908 -4.805 1.00 44.42 H new ATOM 0 HH21 ARG A 69 6.168 -19.159 -7.509 1.00 1.53 H new ATOM 0 HH22 ARG A 69 6.438 -18.884 -5.784 1.00 1.53 H new ATOM 1057 N HIS A 70 5.943 -9.996 -10.531 1.00 60.14 N ATOM 1058 CA HIS A 70 5.539 -8.575 -10.723 1.00 51.41 C ATOM 1059 C HIS A 70 4.614 -8.403 -11.947 1.00 53.13 C ATOM 1060 O HIS A 70 3.852 -7.431 -12.038 1.00 42.05 O ATOM 1061 CB HIS A 70 6.783 -7.643 -10.817 1.00 25.32 C ATOM 1062 CG HIS A 70 7.630 -7.779 -12.072 1.00 42.24 C ATOM 1063 ND1 HIS A 70 8.770 -8.553 -12.139 1.00 53.30 N ATOM 1064 CD2 HIS A 70 7.515 -7.198 -13.295 1.00 1.10 C ATOM 1065 CE1 HIS A 70 9.306 -8.439 -13.337 1.00 11.22 C ATOM 1066 NE2 HIS A 70 8.567 -7.628 -14.056 1.00 71.23 N ATOM 0 H HIS A 70 6.953 -10.136 -10.540 1.00 60.14 H new ATOM 0 HA HIS A 70 4.967 -8.279 -9.844 1.00 51.41 H new ATOM 0 HB2 HIS A 70 6.443 -6.610 -10.743 1.00 25.32 H new ATOM 0 HB3 HIS A 70 7.419 -7.832 -9.952 1.00 25.32 H new ATOM 0 HD1 HIS A 70 9.140 -9.124 -11.379 1.00 53.30 H new ATOM 0 HD2 HIS A 70 6.735 -6.520 -13.609 1.00 1.10 H new ATOM 0 HE1 HIS A 70 10.206 -8.932 -13.672 1.00 11.22 H new ATOM 1075 N ASN A 71 4.724 -9.363 -12.880 1.00 44.53 N ATOM 1076 CA ASN A 71 3.794 -9.548 -13.996 1.00 43.12 C ATOM 1077 C ASN A 71 2.398 -9.905 -13.444 1.00 64.42 C ATOM 1078 O ASN A 71 2.149 -11.057 -13.081 1.00 73.34 O ATOM 1079 CB ASN A 71 4.320 -10.680 -14.923 1.00 71.03 C ATOM 1080 CG ASN A 71 3.426 -10.965 -16.135 1.00 71.14 C ATOM 1081 OD1 ASN A 71 3.611 -10.391 -17.203 1.00 5.14 O ATOM 1082 ND2 ASN A 71 2.443 -11.848 -15.971 1.00 71.21 N ATOM 0 H ASN A 71 5.482 -10.046 -12.875 1.00 44.53 H new ATOM 0 HA ASN A 71 3.718 -8.627 -14.575 1.00 43.12 H new ATOM 0 HB2 ASN A 71 5.316 -10.412 -15.275 1.00 71.03 H new ATOM 0 HB3 ASN A 71 4.423 -11.594 -14.339 1.00 71.03 H new ATOM 0 HD21 ASN A 71 1.817 -12.064 -16.747 1.00 71.21 H new ATOM 0 HD22 ASN A 71 2.316 -12.308 -15.070 1.00 71.21 H new ATOM 1089 N GLY A 72 1.546 -8.883 -13.293 1.00 35.13 N ATOM 1090 CA GLY A 72 0.145 -9.060 -12.898 1.00 72.13 C ATOM 1091 C GLY A 72 -0.078 -9.295 -11.404 1.00 11.52 C ATOM 1092 O GLY A 72 -1.227 -9.285 -10.953 1.00 52.52 O ATOM 0 H GLY A 72 1.810 -7.909 -13.442 1.00 35.13 H new ATOM 0 HA2 GLY A 72 -0.417 -8.176 -13.200 1.00 72.13 H new ATOM 0 HA3 GLY A 72 -0.269 -9.904 -13.449 1.00 72.13 H new ATOM 1096 N THR A 73 1.008 -9.492 -10.626 1.00 71.24 N ATOM 1097 CA THR A 73 0.913 -9.771 -9.184 1.00 55.12 C ATOM 1098 C THR A 73 1.959 -8.921 -8.402 1.00 62.14 C ATOM 1099 O THR A 73 1.681 -7.750 -8.121 1.00 23.24 O ATOM 1100 CB THR A 73 1.032 -11.314 -8.901 1.00 52.41 C ATOM 1101 OG1 THR A 73 0.143 -12.039 -9.770 1.00 63.44 O ATOM 1102 CG2 THR A 73 0.691 -11.670 -7.448 1.00 50.21 C ATOM 0 H THR A 73 1.964 -9.462 -10.979 1.00 71.24 H new ATOM 0 HA THR A 73 -0.071 -9.473 -8.823 1.00 55.12 H new ATOM 0 HB THR A 73 2.070 -11.592 -9.086 1.00 52.41 H new ATOM 0 HG1 THR A 73 0.334 -12.998 -9.707 1.00 63.44 H new ATOM 0 HG21 THR A 73 0.788 -12.746 -7.305 1.00 50.21 H new ATOM 0 HG22 THR A 73 1.375 -11.151 -6.776 1.00 50.21 H new ATOM 0 HG23 THR A 73 -0.333 -11.366 -7.230 1.00 50.21 H new ATOM 1110 N GLY A 74 3.156 -9.488 -8.096 1.00 65.05 N ATOM 1111 CA GLY A 74 4.232 -8.754 -7.401 1.00 34.41 C ATOM 1112 C GLY A 74 3.828 -8.233 -6.033 1.00 14.24 C ATOM 1113 O GLY A 74 3.929 -7.037 -5.757 1.00 52.32 O ATOM 0 H GLY A 74 3.394 -10.453 -8.323 1.00 65.05 H new ATOM 0 HA2 GLY A 74 5.095 -9.410 -7.290 1.00 34.41 H new ATOM 0 HA3 GLY A 74 4.547 -7.915 -8.021 1.00 34.41 H new ATOM 1117 N GLY A 75 3.376 -9.148 -5.176 1.00 14.51 N ATOM 1118 CA GLY A 75 2.768 -8.798 -3.895 1.00 70.55 C ATOM 1119 C GLY A 75 1.513 -9.615 -3.694 1.00 40.14 C ATOM 1120 O GLY A 75 0.446 -9.068 -3.406 1.00 45.11 O ATOM 0 H GLY A 75 3.421 -10.152 -5.351 1.00 14.51 H new ATOM 0 HA2 GLY A 75 3.471 -8.986 -3.083 1.00 70.55 H new ATOM 0 HA3 GLY A 75 2.530 -7.735 -3.871 1.00 70.55 H new ATOM 1124 N LYS A 76 1.662 -10.942 -3.905 1.00 23.33 N ATOM 1125 CA LYS A 76 0.563 -11.922 -3.818 1.00 1.14 C ATOM 1126 C LYS A 76 -0.068 -11.941 -2.417 1.00 5.31 C ATOM 1127 O LYS A 76 0.552 -11.520 -1.437 1.00 4.25 O ATOM 1128 CB LYS A 76 1.068 -13.348 -4.188 1.00 51.22 C ATOM 1129 CG LYS A 76 2.151 -13.913 -3.241 1.00 23.51 C ATOM 1130 CD LYS A 76 2.566 -15.363 -3.563 1.00 33.54 C ATOM 1131 CE LYS A 76 1.428 -16.375 -3.349 1.00 2.13 C ATOM 1132 NZ LYS A 76 1.908 -17.781 -3.456 1.00 5.34 N ATOM 0 H LYS A 76 2.560 -11.364 -4.143 1.00 23.33 H new ATOM 0 HA LYS A 76 -0.202 -11.616 -4.532 1.00 1.14 H new ATOM 0 HB2 LYS A 76 0.218 -14.030 -4.194 1.00 51.22 H new ATOM 0 HB3 LYS A 76 1.466 -13.326 -5.202 1.00 51.22 H new ATOM 0 HG2 LYS A 76 3.032 -13.274 -3.290 1.00 23.51 H new ATOM 0 HG3 LYS A 76 1.782 -13.870 -2.216 1.00 23.51 H new ATOM 0 HD2 LYS A 76 2.903 -15.417 -4.598 1.00 33.54 H new ATOM 0 HD3 LYS A 76 3.414 -15.640 -2.937 1.00 33.54 H new ATOM 0 HE2 LYS A 76 0.982 -16.217 -2.367 1.00 2.13 H new ATOM 0 HE3 LYS A 76 0.644 -16.202 -4.087 1.00 2.13 H new ATOM 0 HZ1 LYS A 76 1.097 -18.414 -3.612 1.00 5.34 H new ATOM 0 HZ2 LYS A 76 2.569 -17.862 -4.255 1.00 5.34 H new ATOM 0 HZ3 LYS A 76 2.393 -18.050 -2.576 1.00 5.34 H new ATOM 1146 N SER A 77 -1.287 -12.470 -2.345 1.00 13.41 N ATOM 1147 CA SER A 77 -2.063 -12.548 -1.106 1.00 44.34 C ATOM 1148 C SER A 77 -1.781 -13.870 -0.368 1.00 34.42 C ATOM 1149 O SER A 77 -1.077 -14.752 -0.881 1.00 21.31 O ATOM 1150 CB SER A 77 -3.562 -12.419 -1.450 1.00 11.24 C ATOM 1151 OG SER A 77 -3.991 -13.450 -2.333 1.00 21.53 O ATOM 0 H SER A 77 -1.771 -12.861 -3.153 1.00 13.41 H new ATOM 0 HA SER A 77 -1.772 -11.735 -0.441 1.00 44.34 H new ATOM 0 HB2 SER A 77 -4.150 -12.457 -0.533 1.00 11.24 H new ATOM 0 HB3 SER A 77 -3.748 -11.447 -1.908 1.00 11.24 H new ATOM 0 HG SER A 77 -4.968 -13.436 -2.402 1.00 21.53 H new ATOM 1157 N ILE A 78 -2.347 -14.000 0.845 1.00 61.23 N ATOM 1158 CA ILE A 78 -2.243 -15.226 1.659 1.00 74.32 C ATOM 1159 C ILE A 78 -3.058 -16.377 1.025 1.00 33.54 C ATOM 1160 O ILE A 78 -2.850 -17.550 1.348 1.00 0.41 O ATOM 1161 CB ILE A 78 -2.720 -14.973 3.141 1.00 23.30 C ATOM 1162 CG1 ILE A 78 -4.263 -14.755 3.239 1.00 2.03 C ATOM 1163 CG2 ILE A 78 -1.961 -13.769 3.747 1.00 13.24 C ATOM 1164 CD1 ILE A 78 -4.811 -14.628 4.657 1.00 72.34 C ATOM 0 H ILE A 78 -2.889 -13.259 1.289 1.00 61.23 H new ATOM 0 HA ILE A 78 -1.192 -15.514 1.685 1.00 74.32 H new ATOM 0 HB ILE A 78 -2.489 -15.870 3.715 1.00 23.30 H new ATOM 0 HG12 ILE A 78 -4.523 -13.854 2.684 1.00 2.03 H new ATOM 0 HG13 ILE A 78 -4.764 -15.588 2.746 1.00 2.03 H new ATOM 0 HG21 ILE A 78 -2.299 -13.604 4.770 1.00 13.24 H new ATOM 0 HG22 ILE A 78 -0.891 -13.976 3.747 1.00 13.24 H new ATOM 0 HG23 ILE A 78 -2.158 -12.878 3.152 1.00 13.24 H new ATOM 0 HD11 ILE A 78 -5.890 -14.479 4.618 1.00 72.34 H new ATOM 0 HD12 ILE A 78 -4.590 -15.538 5.215 1.00 72.34 H new ATOM 0 HD13 ILE A 78 -4.345 -13.776 5.152 1.00 72.34 H new ATOM 1176 N TYR A 79 -3.977 -16.001 0.115 1.00 3.53 N ATOM 1177 CA TYR A 79 -4.890 -16.918 -0.583 1.00 41.54 C ATOM 1178 C TYR A 79 -4.227 -17.482 -1.852 1.00 53.43 C ATOM 1179 O TYR A 79 -4.700 -18.471 -2.422 1.00 24.53 O ATOM 1180 CB TYR A 79 -6.187 -16.152 -0.955 1.00 70.43 C ATOM 1181 CG TYR A 79 -6.781 -15.357 0.219 1.00 43.52 C ATOM 1182 CD1 TYR A 79 -7.575 -15.971 1.189 1.00 72.31 C ATOM 1183 CD2 TYR A 79 -6.531 -13.988 0.360 1.00 14.44 C ATOM 1184 CE1 TYR A 79 -8.094 -15.249 2.248 1.00 53.44 C ATOM 1185 CE2 TYR A 79 -7.048 -13.266 1.416 1.00 21.24 C ATOM 1186 CZ TYR A 79 -7.826 -13.899 2.354 1.00 44.35 C ATOM 1187 OH TYR A 79 -8.341 -13.179 3.408 1.00 14.31 O ATOM 0 H TYR A 79 -4.106 -15.027 -0.160 1.00 3.53 H new ATOM 0 HA TYR A 79 -5.130 -17.754 0.074 1.00 41.54 H new ATOM 0 HB2 TYR A 79 -5.974 -15.468 -1.777 1.00 70.43 H new ATOM 0 HB3 TYR A 79 -6.930 -16.863 -1.316 1.00 70.43 H new ATOM 0 HD1 TYR A 79 -7.787 -17.027 1.111 1.00 72.31 H new ATOM 0 HD2 TYR A 79 -5.919 -13.485 -0.374 1.00 14.44 H new ATOM 0 HE1 TYR A 79 -8.707 -15.740 2.990 1.00 53.44 H new ATOM 0 HE2 TYR A 79 -6.842 -12.210 1.504 1.00 21.24 H new ATOM 0 HH TYR A 79 -8.057 -12.244 3.335 1.00 14.31 H new ATOM 1197 N GLY A 80 -3.137 -16.824 -2.286 1.00 74.24 N ATOM 1198 CA GLY A 80 -2.422 -17.183 -3.501 1.00 2.45 C ATOM 1199 C GLY A 80 -2.145 -15.954 -4.336 1.00 64.21 C ATOM 1200 O GLY A 80 -1.723 -14.932 -3.795 1.00 31.13 O ATOM 0 H GLY A 80 -2.734 -16.026 -1.794 1.00 74.24 H new ATOM 0 HA2 GLY A 80 -1.484 -17.675 -3.246 1.00 2.45 H new ATOM 0 HA3 GLY A 80 -3.010 -17.897 -4.078 1.00 2.45 H new ATOM 1204 N GLU A 81 -2.408 -16.057 -5.646 1.00 12.22 N ATOM 1205 CA GLU A 81 -2.215 -14.967 -6.618 1.00 34.33 C ATOM 1206 C GLU A 81 -3.008 -13.710 -6.218 1.00 21.22 C ATOM 1207 O GLU A 81 -2.433 -12.628 -6.078 1.00 3.14 O ATOM 1208 CB GLU A 81 -2.660 -15.457 -8.021 1.00 53.34 C ATOM 1209 CG GLU A 81 -2.642 -14.397 -9.137 1.00 71.43 C ATOM 1210 CD GLU A 81 -3.236 -14.922 -10.448 1.00 23.04 C ATOM 1211 OE1 GLU A 81 -4.473 -15.074 -10.526 1.00 74.41 O ATOM 1212 OE2 GLU A 81 -2.475 -15.203 -11.401 1.00 73.05 O ATOM 0 H GLU A 81 -2.767 -16.913 -6.069 1.00 12.22 H new ATOM 0 HA GLU A 81 -1.159 -14.696 -6.635 1.00 34.33 H new ATOM 0 HB2 GLU A 81 -2.013 -16.282 -8.319 1.00 53.34 H new ATOM 0 HB3 GLU A 81 -3.671 -15.857 -7.942 1.00 53.34 H new ATOM 0 HG2 GLU A 81 -3.203 -13.521 -8.812 1.00 71.43 H new ATOM 0 HG3 GLU A 81 -1.616 -14.072 -9.310 1.00 71.43 H new ATOM 1219 N LYS A 82 -4.327 -13.891 -6.015 1.00 21.52 N ATOM 1220 CA LYS A 82 -5.270 -12.790 -5.749 1.00 60.11 C ATOM 1221 C LYS A 82 -6.632 -13.341 -5.274 1.00 4.13 C ATOM 1222 O LYS A 82 -6.838 -14.557 -5.220 1.00 72.33 O ATOM 1223 CB LYS A 82 -5.442 -11.898 -7.019 1.00 74.32 C ATOM 1224 CG LYS A 82 -5.989 -12.636 -8.255 1.00 42.33 C ATOM 1225 CD LYS A 82 -6.066 -11.732 -9.505 1.00 62.52 C ATOM 1226 CE LYS A 82 -6.705 -12.446 -10.704 1.00 10.12 C ATOM 1227 NZ LYS A 82 -8.091 -12.907 -10.409 1.00 13.44 N ATOM 0 H LYS A 82 -4.770 -14.810 -6.031 1.00 21.52 H new ATOM 0 HA LYS A 82 -4.860 -12.171 -4.951 1.00 60.11 H new ATOM 0 HB2 LYS A 82 -6.113 -11.073 -6.779 1.00 74.32 H new ATOM 0 HB3 LYS A 82 -4.476 -11.460 -7.272 1.00 74.32 H new ATOM 0 HG2 LYS A 82 -5.353 -13.494 -8.471 1.00 42.33 H new ATOM 0 HG3 LYS A 82 -6.983 -13.024 -8.031 1.00 42.33 H new ATOM 0 HD2 LYS A 82 -6.643 -10.838 -9.268 1.00 62.52 H new ATOM 0 HD3 LYS A 82 -5.063 -11.402 -9.774 1.00 62.52 H new ATOM 0 HE2 LYS A 82 -6.722 -11.771 -11.560 1.00 10.12 H new ATOM 0 HE3 LYS A 82 -6.091 -13.302 -10.985 1.00 10.12 H new ATOM 0 HZ1 LYS A 82 -8.600 -13.068 -11.301 1.00 13.44 H new ATOM 0 HZ2 LYS A 82 -8.054 -13.793 -9.866 1.00 13.44 H new ATOM 0 HZ3 LYS A 82 -8.587 -12.181 -9.853 1.00 13.44 H new ATOM 1241 N PHE A 83 -7.552 -12.419 -4.949 1.00 2.32 N ATOM 1242 CA PHE A 83 -8.872 -12.719 -4.369 1.00 13.43 C ATOM 1243 C PHE A 83 -9.834 -11.535 -4.605 1.00 31.44 C ATOM 1244 O PHE A 83 -9.419 -10.470 -5.079 1.00 54.42 O ATOM 1245 CB PHE A 83 -8.743 -13.043 -2.851 1.00 71.50 C ATOM 1246 CG PHE A 83 -8.297 -11.879 -1.947 1.00 45.55 C ATOM 1247 CD1 PHE A 83 -7.045 -11.289 -2.097 1.00 24.10 C ATOM 1248 CD2 PHE A 83 -9.123 -11.401 -0.928 1.00 74.12 C ATOM 1249 CE1 PHE A 83 -6.638 -10.264 -1.269 1.00 54.44 C ATOM 1250 CE2 PHE A 83 -8.716 -10.371 -0.102 1.00 33.13 C ATOM 1251 CZ PHE A 83 -7.471 -9.805 -0.273 1.00 1.34 C ATOM 0 H PHE A 83 -7.396 -11.420 -5.085 1.00 2.32 H new ATOM 0 HA PHE A 83 -9.283 -13.599 -4.863 1.00 13.43 H new ATOM 0 HB2 PHE A 83 -9.707 -13.405 -2.494 1.00 71.50 H new ATOM 0 HB3 PHE A 83 -8.032 -13.861 -2.734 1.00 71.50 H new ATOM 0 HD1 PHE A 83 -6.382 -11.640 -2.874 1.00 24.10 H new ATOM 0 HD2 PHE A 83 -10.097 -11.844 -0.783 1.00 74.12 H new ATOM 0 HE1 PHE A 83 -5.663 -9.820 -1.402 1.00 54.44 H new ATOM 0 HE2 PHE A 83 -9.372 -10.010 0.676 1.00 33.13 H new ATOM 0 HZ PHE A 83 -7.149 -9.002 0.374 1.00 1.34 H new ATOM 1261 N GLU A 84 -11.120 -11.729 -4.270 1.00 45.33 N ATOM 1262 CA GLU A 84 -12.156 -10.679 -4.398 1.00 44.25 C ATOM 1263 C GLU A 84 -12.235 -9.833 -3.116 1.00 1.04 C ATOM 1264 O GLU A 84 -11.615 -10.161 -2.105 1.00 71.03 O ATOM 1265 CB GLU A 84 -13.531 -11.317 -4.732 1.00 12.42 C ATOM 1266 CG GLU A 84 -14.096 -12.228 -3.625 1.00 62.14 C ATOM 1267 CD GLU A 84 -15.462 -12.836 -3.976 1.00 42.41 C ATOM 1268 OE1 GLU A 84 -16.486 -12.131 -3.845 1.00 35.51 O ATOM 1269 OE2 GLU A 84 -15.520 -14.016 -4.386 1.00 51.21 O ATOM 0 H GLU A 84 -11.474 -12.613 -3.904 1.00 45.33 H new ATOM 0 HA GLU A 84 -11.880 -10.016 -5.218 1.00 44.25 H new ATOM 0 HB2 GLU A 84 -14.248 -10.521 -4.932 1.00 12.42 H new ATOM 0 HB3 GLU A 84 -13.435 -11.897 -5.650 1.00 12.42 H new ATOM 0 HG2 GLU A 84 -13.387 -13.033 -3.430 1.00 62.14 H new ATOM 0 HG3 GLU A 84 -14.188 -11.654 -2.703 1.00 62.14 H new ATOM 1276 N ASP A 85 -13.008 -8.739 -3.168 1.00 53.15 N ATOM 1277 CA ASP A 85 -13.211 -7.844 -2.010 1.00 65.44 C ATOM 1278 C ASP A 85 -14.268 -8.447 -1.074 1.00 33.11 C ATOM 1279 O ASP A 85 -15.152 -9.182 -1.524 1.00 74.20 O ATOM 1280 CB ASP A 85 -13.625 -6.421 -2.491 1.00 43.31 C ATOM 1281 CG ASP A 85 -12.626 -5.806 -3.495 1.00 33.43 C ATOM 1282 OD1 ASP A 85 -11.410 -6.028 -3.345 1.00 62.32 O ATOM 1283 OD2 ASP A 85 -13.052 -5.096 -4.430 1.00 73.21 O ATOM 0 H ASP A 85 -13.509 -8.447 -4.007 1.00 53.15 H new ATOM 0 HA ASP A 85 -12.276 -7.747 -1.458 1.00 65.44 H new ATOM 0 HB2 ASP A 85 -14.610 -6.473 -2.954 1.00 43.31 H new ATOM 0 HB3 ASP A 85 -13.713 -5.763 -1.626 1.00 43.31 H new ATOM 1288 N GLU A 86 -14.140 -8.187 0.237 1.00 22.01 N ATOM 1289 CA GLU A 86 -15.087 -8.715 1.238 1.00 51.35 C ATOM 1290 C GLU A 86 -16.296 -7.778 1.407 1.00 52.14 C ATOM 1291 O GLU A 86 -17.440 -8.172 1.146 1.00 33.05 O ATOM 1292 CB GLU A 86 -14.366 -8.965 2.598 1.00 25.21 C ATOM 1293 CG GLU A 86 -15.273 -9.507 3.738 1.00 14.24 C ATOM 1294 CD GLU A 86 -16.038 -10.798 3.372 1.00 74.34 C ATOM 1295 OE1 GLU A 86 -15.472 -11.899 3.509 1.00 73.05 O ATOM 1296 OE2 GLU A 86 -17.211 -10.719 2.936 1.00 33.32 O ATOM 0 H GLU A 86 -13.392 -7.616 0.630 1.00 22.01 H new ATOM 0 HA GLU A 86 -15.465 -9.672 0.878 1.00 51.35 H new ATOM 0 HB2 GLU A 86 -13.553 -9.672 2.435 1.00 25.21 H new ATOM 0 HB3 GLU A 86 -13.914 -8.030 2.929 1.00 25.21 H new ATOM 0 HG2 GLU A 86 -14.658 -9.698 4.618 1.00 14.24 H new ATOM 0 HG3 GLU A 86 -15.993 -8.736 4.013 1.00 14.24 H new ATOM 1303 N ASN A 87 -16.030 -6.531 1.800 1.00 31.14 N ATOM 1304 CA ASN A 87 -17.076 -5.581 2.221 1.00 35.30 C ATOM 1305 C ASN A 87 -16.578 -4.144 2.047 1.00 30.12 C ATOM 1306 O ASN A 87 -15.550 -3.773 2.616 1.00 14.33 O ATOM 1307 CB ASN A 87 -17.491 -5.862 3.703 1.00 43.12 C ATOM 1308 CG ASN A 87 -16.317 -5.887 4.706 1.00 71.33 C ATOM 1309 OD1 ASN A 87 -15.181 -6.205 4.364 1.00 2.11 O ATOM 1310 ND2 ASN A 87 -16.590 -5.583 5.956 1.00 13.13 N ATOM 0 H ASN A 87 -15.086 -6.146 1.837 1.00 31.14 H new ATOM 0 HA ASN A 87 -17.957 -5.712 1.593 1.00 35.30 H new ATOM 0 HB2 ASN A 87 -18.204 -5.100 4.017 1.00 43.12 H new ATOM 0 HB3 ASN A 87 -18.009 -6.820 3.746 1.00 43.12 H new ATOM 0 HD21 ASN A 87 -15.852 -5.609 6.660 1.00 13.13 H new ATOM 0 HD22 ASN A 87 -17.539 -5.321 6.222 1.00 13.13 H new ATOM 1317 N PHE A 88 -17.332 -3.324 1.283 1.00 55.31 N ATOM 1318 CA PHE A 88 -16.922 -1.949 0.928 1.00 33.01 C ATOM 1319 C PHE A 88 -17.403 -0.967 2.010 1.00 73.14 C ATOM 1320 O PHE A 88 -18.308 -0.155 1.793 1.00 32.20 O ATOM 1321 CB PHE A 88 -17.480 -1.539 -0.471 1.00 61.24 C ATOM 1322 CG PHE A 88 -17.033 -2.424 -1.638 1.00 62.51 C ATOM 1323 CD1 PHE A 88 -17.699 -3.616 -1.930 1.00 23.12 C ATOM 1324 CD2 PHE A 88 -15.952 -2.062 -2.448 1.00 74.04 C ATOM 1325 CE1 PHE A 88 -17.301 -4.415 -2.985 1.00 12.21 C ATOM 1326 CE2 PHE A 88 -15.558 -2.864 -3.503 1.00 42.34 C ATOM 1327 CZ PHE A 88 -16.232 -4.039 -3.770 1.00 74.34 C ATOM 0 H PHE A 88 -18.237 -3.595 0.897 1.00 55.31 H new ATOM 0 HA PHE A 88 -15.834 -1.915 0.874 1.00 33.01 H new ATOM 0 HB2 PHE A 88 -18.569 -1.547 -0.426 1.00 61.24 H new ATOM 0 HB3 PHE A 88 -17.177 -0.513 -0.678 1.00 61.24 H new ATOM 0 HD1 PHE A 88 -18.539 -3.918 -1.322 1.00 23.12 H new ATOM 0 HD2 PHE A 88 -15.418 -1.145 -2.247 1.00 74.04 H new ATOM 0 HE1 PHE A 88 -17.828 -5.334 -3.195 1.00 12.21 H new ATOM 0 HE2 PHE A 88 -14.721 -2.571 -4.120 1.00 42.34 H new ATOM 0 HZ PHE A 88 -15.922 -4.664 -4.594 1.00 74.34 H new ATOM 1337 N ILE A 89 -16.821 -1.110 3.204 1.00 64.33 N ATOM 1338 CA ILE A 89 -17.063 -0.204 4.337 1.00 34.05 C ATOM 1339 C ILE A 89 -16.094 0.977 4.238 1.00 34.42 C ATOM 1340 O ILE A 89 -16.495 2.146 4.276 1.00 71.12 O ATOM 1341 CB ILE A 89 -16.877 -0.944 5.717 1.00 74.42 C ATOM 1342 CG1 ILE A 89 -17.883 -2.134 5.848 1.00 12.51 C ATOM 1343 CG2 ILE A 89 -17.013 0.041 6.908 1.00 14.41 C ATOM 1344 CD1 ILE A 89 -17.816 -2.885 7.170 1.00 51.34 C ATOM 0 H ILE A 89 -16.164 -1.861 3.416 1.00 64.33 H new ATOM 0 HA ILE A 89 -18.093 0.149 4.292 1.00 34.05 H new ATOM 0 HB ILE A 89 -15.867 -1.352 5.745 1.00 74.42 H new ATOM 0 HG12 ILE A 89 -18.895 -1.752 5.714 1.00 12.51 H new ATOM 0 HG13 ILE A 89 -17.698 -2.838 5.037 1.00 12.51 H new ATOM 0 HG21 ILE A 89 -16.880 -0.500 7.845 1.00 14.41 H new ATOM 0 HG22 ILE A 89 -16.253 0.818 6.826 1.00 14.41 H new ATOM 0 HG23 ILE A 89 -18.002 0.498 6.891 1.00 14.41 H new ATOM 0 HD11 ILE A 89 -18.549 -3.691 7.168 1.00 51.34 H new ATOM 0 HD12 ILE A 89 -16.818 -3.303 7.301 1.00 51.34 H new ATOM 0 HD13 ILE A 89 -18.033 -2.200 7.989 1.00 51.34 H new ATOM 1356 N LEU A 90 -14.809 0.642 4.091 1.00 25.31 N ATOM 1357 CA LEU A 90 -13.722 1.615 4.067 1.00 5.24 C ATOM 1358 C LEU A 90 -13.475 2.112 2.637 1.00 20.01 C ATOM 1359 O LEU A 90 -12.956 1.377 1.784 1.00 75.33 O ATOM 1360 CB LEU A 90 -12.454 0.977 4.663 1.00 33.22 C ATOM 1361 CG LEU A 90 -12.551 0.563 6.159 1.00 43.52 C ATOM 1362 CD1 LEU A 90 -11.306 -0.216 6.590 1.00 24.14 C ATOM 1363 CD2 LEU A 90 -12.778 1.796 7.064 1.00 42.13 C ATOM 0 H LEU A 90 -14.495 -0.323 3.985 1.00 25.31 H new ATOM 0 HA LEU A 90 -13.996 2.480 4.671 1.00 5.24 H new ATOM 0 HB2 LEU A 90 -12.202 0.094 4.076 1.00 33.22 H new ATOM 0 HB3 LEU A 90 -11.628 1.680 4.552 1.00 33.22 H new ATOM 0 HG LEU A 90 -13.414 -0.093 6.271 1.00 43.52 H new ATOM 0 HD11 LEU A 90 -11.397 -0.495 7.640 1.00 24.14 H new ATOM 0 HD12 LEU A 90 -11.211 -1.116 5.982 1.00 24.14 H new ATOM 0 HD13 LEU A 90 -10.422 0.407 6.455 1.00 24.14 H new ATOM 0 HD21 LEU A 90 -12.842 1.477 8.104 1.00 42.13 H new ATOM 0 HD22 LEU A 90 -11.946 2.491 6.948 1.00 42.13 H new ATOM 0 HD23 LEU A 90 -13.706 2.291 6.779 1.00 42.13 H new ATOM 1375 N LYS A 91 -13.897 3.351 2.390 1.00 32.41 N ATOM 1376 CA LYS A 91 -13.647 4.069 1.139 1.00 22.21 C ATOM 1377 C LYS A 91 -12.350 4.884 1.258 1.00 25.52 C ATOM 1378 O LYS A 91 -11.797 5.041 2.357 1.00 2.44 O ATOM 1379 CB LYS A 91 -14.841 4.998 0.823 1.00 14.14 C ATOM 1380 CG LYS A 91 -16.195 4.267 0.661 1.00 43.12 C ATOM 1381 CD LYS A 91 -17.358 5.238 0.349 1.00 0.31 C ATOM 1382 CE LYS A 91 -17.592 6.271 1.468 1.00 34.12 C ATOM 1383 NZ LYS A 91 -18.673 7.231 1.121 1.00 64.40 N ATOM 0 H LYS A 91 -14.433 3.895 3.066 1.00 32.41 H new ATOM 0 HA LYS A 91 -13.536 3.352 0.325 1.00 22.21 H new ATOM 0 HB2 LYS A 91 -14.933 5.735 1.621 1.00 14.14 H new ATOM 0 HB3 LYS A 91 -14.626 5.546 -0.094 1.00 14.14 H new ATOM 0 HG2 LYS A 91 -16.114 3.532 -0.140 1.00 43.12 H new ATOM 0 HG3 LYS A 91 -16.420 3.718 1.575 1.00 43.12 H new ATOM 0 HD2 LYS A 91 -17.148 5.761 -0.584 1.00 0.31 H new ATOM 0 HD3 LYS A 91 -18.272 4.665 0.194 1.00 0.31 H new ATOM 0 HE2 LYS A 91 -17.850 5.753 2.392 1.00 34.12 H new ATOM 0 HE3 LYS A 91 -16.668 6.818 1.656 1.00 34.12 H new ATOM 0 HZ1 LYS A 91 -18.799 7.909 1.900 1.00 64.40 H new ATOM 0 HZ2 LYS A 91 -18.416 7.744 0.254 1.00 64.40 H new ATOM 0 HZ3 LYS A 91 -19.561 6.713 0.967 1.00 64.40 H new ATOM 1397 N HIS A 92 -11.883 5.419 0.123 1.00 10.41 N ATOM 1398 CA HIS A 92 -10.640 6.214 0.042 1.00 33.12 C ATOM 1399 C HIS A 92 -10.975 7.694 0.332 1.00 62.31 C ATOM 1400 O HIS A 92 -10.682 8.594 -0.462 1.00 44.23 O ATOM 1401 CB HIS A 92 -10.000 6.032 -1.363 1.00 72.53 C ATOM 1402 CG HIS A 92 -9.715 4.598 -1.749 1.00 32.14 C ATOM 1403 ND1 HIS A 92 -8.442 4.102 -1.937 1.00 31.21 N ATOM 1404 CD2 HIS A 92 -10.552 3.553 -1.988 1.00 21.13 C ATOM 1405 CE1 HIS A 92 -8.512 2.826 -2.267 1.00 24.03 C ATOM 1406 NE2 HIS A 92 -9.777 2.473 -2.306 1.00 60.53 N ATOM 0 H HIS A 92 -12.357 5.315 -0.774 1.00 10.41 H new ATOM 0 HA HIS A 92 -9.916 5.875 0.783 1.00 33.12 H new ATOM 0 HB2 HIS A 92 -10.664 6.469 -2.109 1.00 72.53 H new ATOM 0 HB3 HIS A 92 -9.067 6.595 -1.398 1.00 72.53 H new ATOM 0 HD1 HIS A 92 -7.580 4.638 -1.837 1.00 31.21 H new ATOM 0 HD2 HIS A 92 -11.631 3.573 -1.936 1.00 21.13 H new ATOM 0 HE1 HIS A 92 -7.671 2.180 -2.471 1.00 24.03 H new ATOM 0 HE2 HIS A 92 -10.125 1.542 -2.537 1.00 60.53 H new ATOM 1415 N THR A 93 -11.604 7.921 1.499 1.00 3.03 N ATOM 1416 CA THR A 93 -12.203 9.218 1.864 1.00 25.13 C ATOM 1417 C THR A 93 -11.265 10.070 2.743 1.00 44.13 C ATOM 1418 O THR A 93 -11.589 11.218 3.070 1.00 44.31 O ATOM 1419 CB THR A 93 -13.581 8.983 2.574 1.00 14.11 C ATOM 1420 OG1 THR A 93 -14.284 10.227 2.759 1.00 31.51 O ATOM 1421 CG2 THR A 93 -13.422 8.274 3.930 1.00 10.14 C ATOM 0 H THR A 93 -11.712 7.207 2.219 1.00 3.03 H new ATOM 0 HA THR A 93 -12.364 9.783 0.946 1.00 25.13 H new ATOM 0 HB THR A 93 -14.162 8.334 1.919 1.00 14.11 H new ATOM 0 HG1 THR A 93 -13.637 10.954 2.873 1.00 31.51 H new ATOM 0 HG21 THR A 93 -14.403 8.133 4.384 1.00 10.14 H new ATOM 0 HG22 THR A 93 -12.949 7.304 3.780 1.00 10.14 H new ATOM 0 HG23 THR A 93 -12.802 8.882 4.588 1.00 10.14 H new ATOM 1429 N GLY A 94 -10.095 9.512 3.092 1.00 73.31 N ATOM 1430 CA GLY A 94 -9.112 10.204 3.932 1.00 74.25 C ATOM 1431 C GLY A 94 -7.702 10.138 3.351 1.00 1.23 C ATOM 1432 O GLY A 94 -7.503 9.561 2.275 1.00 23.20 O ATOM 0 H GLY A 94 -9.808 8.577 2.802 1.00 73.31 H new ATOM 0 HA2 GLY A 94 -9.406 11.247 4.047 1.00 74.25 H new ATOM 0 HA3 GLY A 94 -9.113 9.761 4.928 1.00 74.25 H new ATOM 1436 N PRO A 95 -6.700 10.768 4.024 1.00 61.32 N ATOM 1437 CA PRO A 95 -5.277 10.637 3.658 1.00 11.42 C ATOM 1438 C PRO A 95 -4.613 9.393 4.305 1.00 73.34 C ATOM 1439 O PRO A 95 -5.053 8.919 5.364 1.00 33.53 O ATOM 1440 CB PRO A 95 -4.686 11.962 4.199 1.00 64.12 C ATOM 1441 CG PRO A 95 -5.492 12.268 5.430 1.00 54.41 C ATOM 1442 CD PRO A 95 -6.884 11.699 5.176 1.00 70.20 C ATOM 0 HA PRO A 95 -5.114 10.487 2.591 1.00 11.42 H new ATOM 0 HB2 PRO A 95 -3.627 11.855 4.436 1.00 64.12 H new ATOM 0 HB3 PRO A 95 -4.769 12.762 3.463 1.00 64.12 H new ATOM 0 HG2 PRO A 95 -5.041 11.816 6.313 1.00 54.41 H new ATOM 0 HG3 PRO A 95 -5.537 13.342 5.610 1.00 54.41 H new ATOM 0 HD2 PRO A 95 -7.265 11.176 6.053 1.00 70.20 H new ATOM 0 HD3 PRO A 95 -7.598 12.487 4.940 1.00 70.20 H new ATOM 1450 N GLY A 96 -3.570 8.867 3.642 1.00 41.30 N ATOM 1451 CA GLY A 96 -2.783 7.748 4.176 1.00 31.40 C ATOM 1452 C GLY A 96 -3.430 6.380 3.962 1.00 31.43 C ATOM 1453 O GLY A 96 -3.074 5.412 4.636 1.00 31.33 O ATOM 0 H GLY A 96 -3.253 9.202 2.732 1.00 41.30 H new ATOM 0 HA2 GLY A 96 -1.799 7.751 3.707 1.00 31.40 H new ATOM 0 HA3 GLY A 96 -2.627 7.903 5.244 1.00 31.40 H new ATOM 1457 N ILE A 97 -4.357 6.313 3.002 1.00 12.32 N ATOM 1458 CA ILE A 97 -5.157 5.112 2.708 1.00 31.15 C ATOM 1459 C ILE A 97 -4.278 3.952 2.171 1.00 24.12 C ATOM 1460 O ILE A 97 -3.854 3.964 1.014 1.00 43.34 O ATOM 1461 CB ILE A 97 -6.293 5.495 1.673 1.00 74.54 C ATOM 1462 CG1 ILE A 97 -7.376 6.404 2.341 1.00 12.23 C ATOM 1463 CG2 ILE A 97 -6.932 4.270 0.989 1.00 20.32 C ATOM 1464 CD1 ILE A 97 -8.153 5.768 3.488 1.00 20.32 C ATOM 0 H ILE A 97 -4.579 7.102 2.395 1.00 12.32 H new ATOM 0 HA ILE A 97 -5.611 4.754 3.632 1.00 31.15 H new ATOM 0 HB ILE A 97 -5.807 6.062 0.879 1.00 74.54 H new ATOM 0 HG12 ILE A 97 -6.889 7.306 2.712 1.00 12.23 H new ATOM 0 HG13 ILE A 97 -8.085 6.717 1.575 1.00 12.23 H new ATOM 0 HG21 ILE A 97 -7.702 4.602 0.293 1.00 20.32 H new ATOM 0 HG22 ILE A 97 -6.166 3.716 0.446 1.00 20.32 H new ATOM 0 HG23 ILE A 97 -7.380 3.624 1.744 1.00 20.32 H new ATOM 0 HD11 ILE A 97 -8.877 6.484 3.878 1.00 20.32 H new ATOM 0 HD12 ILE A 97 -8.677 4.883 3.126 1.00 20.32 H new ATOM 0 HD13 ILE A 97 -7.462 5.482 4.281 1.00 20.32 H new ATOM 1476 N LEU A 98 -3.998 2.966 3.043 1.00 35.22 N ATOM 1477 CA LEU A 98 -3.283 1.735 2.667 1.00 42.22 C ATOM 1478 C LEU A 98 -4.294 0.663 2.203 1.00 14.42 C ATOM 1479 O LEU A 98 -5.185 0.235 2.964 1.00 61.40 O ATOM 1480 CB LEU A 98 -2.429 1.198 3.842 1.00 61.34 C ATOM 1481 CG LEU A 98 -1.597 -0.097 3.543 1.00 5.13 C ATOM 1482 CD1 LEU A 98 -0.525 0.147 2.457 1.00 32.21 C ATOM 1483 CD2 LEU A 98 -0.975 -0.673 4.827 1.00 30.34 C ATOM 0 H LEU A 98 -4.262 3.001 4.028 1.00 35.22 H new ATOM 0 HA LEU A 98 -2.606 1.970 1.846 1.00 42.22 H new ATOM 0 HB2 LEU A 98 -1.742 1.984 4.157 1.00 61.34 H new ATOM 0 HB3 LEU A 98 -3.090 0.996 4.685 1.00 61.34 H new ATOM 0 HG LEU A 98 -2.290 -0.841 3.149 1.00 5.13 H new ATOM 0 HD11 LEU A 98 0.029 -0.775 2.279 1.00 32.21 H new ATOM 0 HD12 LEU A 98 -1.009 0.463 1.533 1.00 32.21 H new ATOM 0 HD13 LEU A 98 0.162 0.925 2.792 1.00 32.21 H new ATOM 0 HD21 LEU A 98 -0.405 -1.570 4.585 1.00 30.34 H new ATOM 0 HD22 LEU A 98 -0.313 0.068 5.274 1.00 30.34 H new ATOM 0 HD23 LEU A 98 -1.766 -0.926 5.533 1.00 30.34 H new ATOM 1495 N SER A 99 -4.125 0.236 0.952 1.00 3.14 N ATOM 1496 CA SER A 99 -4.972 -0.759 0.293 1.00 20.43 C ATOM 1497 C SER A 99 -4.102 -1.530 -0.731 1.00 3.44 C ATOM 1498 O SER A 99 -3.174 -0.952 -1.286 1.00 22.04 O ATOM 1499 CB SER A 99 -6.172 -0.045 -0.376 1.00 21.35 C ATOM 1500 OG SER A 99 -7.046 -0.950 -1.025 1.00 63.24 O ATOM 0 H SER A 99 -3.375 0.581 0.353 1.00 3.14 H new ATOM 0 HA SER A 99 -5.378 -1.475 1.008 1.00 20.43 H new ATOM 0 HB2 SER A 99 -6.726 0.513 0.379 1.00 21.35 H new ATOM 0 HB3 SER A 99 -5.802 0.681 -1.100 1.00 21.35 H new ATOM 0 HG SER A 99 -6.678 -1.857 -0.969 1.00 63.24 H new ATOM 1506 N MET A 100 -4.373 -2.837 -0.944 1.00 51.20 N ATOM 1507 CA MET A 100 -3.608 -3.663 -1.916 1.00 45.04 C ATOM 1508 C MET A 100 -4.069 -3.351 -3.342 1.00 43.12 C ATOM 1509 O MET A 100 -5.262 -3.127 -3.572 1.00 13.51 O ATOM 1510 CB MET A 100 -3.745 -5.182 -1.623 1.00 24.31 C ATOM 1511 CG MET A 100 -3.125 -5.626 -0.291 1.00 30.20 C ATOM 1512 SD MET A 100 -3.080 -7.419 -0.096 1.00 70.43 S ATOM 1513 CE MET A 100 -1.824 -7.874 -1.292 1.00 61.12 C ATOM 0 H MET A 100 -5.113 -3.345 -0.459 1.00 51.20 H new ATOM 0 HA MET A 100 -2.554 -3.408 -1.812 1.00 45.04 H new ATOM 0 HB2 MET A 100 -4.802 -5.447 -1.624 1.00 24.31 H new ATOM 0 HB3 MET A 100 -3.276 -5.740 -2.433 1.00 24.31 H new ATOM 0 HG2 MET A 100 -2.111 -5.233 -0.220 1.00 30.20 H new ATOM 0 HG3 MET A 100 -3.694 -5.191 0.531 1.00 30.20 H new ATOM 0 HE1 MET A 100 -1.625 -8.943 -1.221 1.00 61.12 H new ATOM 0 HE2 MET A 100 -2.175 -7.636 -2.296 1.00 61.12 H new ATOM 0 HE3 MET A 100 -0.908 -7.320 -1.087 1.00 61.12 H new ATOM 1523 N ALA A 101 -3.120 -3.344 -4.293 1.00 72.31 N ATOM 1524 CA ALA A 101 -3.377 -2.849 -5.657 1.00 22.14 C ATOM 1525 C ALA A 101 -4.202 -3.841 -6.484 1.00 30.23 C ATOM 1526 O ALA A 101 -4.227 -5.052 -6.209 1.00 71.14 O ATOM 1527 CB ALA A 101 -2.063 -2.489 -6.355 1.00 21.32 C ATOM 0 H ALA A 101 -2.167 -3.676 -4.143 1.00 72.31 H new ATOM 0 HA ALA A 101 -3.976 -1.942 -5.572 1.00 22.14 H new ATOM 0 HB1 ALA A 101 -2.273 -2.125 -7.361 1.00 21.32 H new ATOM 0 HB2 ALA A 101 -1.551 -1.712 -5.788 1.00 21.32 H new ATOM 0 HB3 ALA A 101 -1.428 -3.373 -6.414 1.00 21.32 H new ATOM 1533 N ASN A 102 -4.890 -3.287 -7.485 1.00 23.11 N ATOM 1534 CA ASN A 102 -5.782 -4.030 -8.371 1.00 70.12 C ATOM 1535 C ASN A 102 -6.155 -3.162 -9.576 1.00 53.20 C ATOM 1536 O ASN A 102 -5.920 -1.945 -9.585 1.00 61.41 O ATOM 1537 CB ASN A 102 -7.084 -4.467 -7.629 1.00 3.52 C ATOM 1538 CG ASN A 102 -7.981 -3.306 -7.158 1.00 72.14 C ATOM 1539 OD1 ASN A 102 -7.510 -2.234 -6.773 1.00 73.03 O ATOM 1540 ND2 ASN A 102 -9.288 -3.513 -7.200 1.00 25.31 N ATOM 0 H ASN A 102 -4.840 -2.292 -7.704 1.00 23.11 H new ATOM 0 HA ASN A 102 -5.257 -4.925 -8.703 1.00 70.12 H new ATOM 0 HB2 ASN A 102 -7.664 -5.110 -8.291 1.00 3.52 H new ATOM 0 HB3 ASN A 102 -6.807 -5.068 -6.763 1.00 3.52 H new ATOM 0 HD21 ASN A 102 -9.931 -2.776 -6.910 1.00 25.31 H new ATOM 0 HD22 ASN A 102 -9.652 -4.409 -7.523 1.00 25.31 H new ATOM 1547 N ALA A 103 -6.725 -3.811 -10.589 1.00 42.30 N ATOM 1548 CA ALA A 103 -7.392 -3.133 -11.702 1.00 34.31 C ATOM 1549 C ALA A 103 -8.872 -2.940 -11.336 1.00 41.31 C ATOM 1550 O ALA A 103 -9.398 -1.821 -11.385 1.00 12.34 O ATOM 1551 CB ALA A 103 -7.225 -3.953 -12.986 1.00 52.33 C ATOM 0 H ALA A 103 -6.738 -4.828 -10.663 1.00 42.30 H new ATOM 0 HA ALA A 103 -6.945 -2.155 -11.882 1.00 34.31 H new ATOM 0 HB1 ALA A 103 -7.723 -3.443 -13.811 1.00 52.33 H new ATOM 0 HB2 ALA A 103 -6.164 -4.060 -13.214 1.00 52.33 H new ATOM 0 HB3 ALA A 103 -7.668 -4.939 -12.848 1.00 52.33 H new ATOM 1557 N GLY A 104 -9.512 -4.047 -10.911 1.00 54.34 N ATOM 1558 CA GLY A 104 -10.917 -4.035 -10.508 1.00 13.42 C ATOM 1559 C GLY A 104 -11.273 -5.185 -9.567 1.00 33.43 C ATOM 1560 O GLY A 104 -10.386 -5.692 -8.861 1.00 74.23 O ATOM 0 H GLY A 104 -9.068 -4.962 -10.841 1.00 54.34 H new ATOM 0 HA2 GLY A 104 -11.142 -3.088 -10.018 1.00 13.42 H new ATOM 0 HA3 GLY A 104 -11.546 -4.091 -11.397 1.00 13.42 H new ATOM 1564 N PRO A 105 -12.582 -5.600 -9.503 1.00 13.32 N ATOM 1565 CA PRO A 105 -13.045 -6.733 -8.657 1.00 13.35 C ATOM 1566 C PRO A 105 -12.293 -8.052 -8.943 1.00 34.22 C ATOM 1567 O PRO A 105 -11.962 -8.345 -10.102 1.00 42.55 O ATOM 1568 CB PRO A 105 -14.550 -6.859 -9.017 1.00 13.42 C ATOM 1569 CG PRO A 105 -14.937 -5.495 -9.499 1.00 25.11 C ATOM 1570 CD PRO A 105 -13.720 -4.971 -10.228 1.00 50.11 C ATOM 0 HA PRO A 105 -12.861 -6.547 -7.599 1.00 13.35 H new ATOM 0 HB2 PRO A 105 -14.712 -7.613 -9.788 1.00 13.42 H new ATOM 0 HB3 PRO A 105 -15.141 -7.156 -8.151 1.00 13.42 H new ATOM 0 HG2 PRO A 105 -15.802 -5.542 -10.160 1.00 25.11 H new ATOM 0 HG3 PRO A 105 -15.207 -4.845 -8.667 1.00 25.11 H new ATOM 0 HD2 PRO A 105 -13.730 -5.254 -11.281 1.00 50.11 H new ATOM 0 HD3 PRO A 105 -13.667 -3.883 -10.190 1.00 50.11 H new ATOM 1578 N ASN A 106 -11.979 -8.791 -7.857 1.00 23.11 N ATOM 1579 CA ASN A 106 -11.313 -10.116 -7.890 1.00 62.42 C ATOM 1580 C ASN A 106 -9.854 -10.035 -8.420 1.00 4.43 C ATOM 1581 O ASN A 106 -9.196 -11.059 -8.613 1.00 43.14 O ATOM 1582 CB ASN A 106 -12.187 -11.143 -8.682 1.00 11.41 C ATOM 1583 CG ASN A 106 -11.784 -12.615 -8.479 1.00 53.34 C ATOM 1584 OD1 ASN A 106 -11.278 -12.996 -7.421 1.00 5.21 O ATOM 1585 ND2 ASN A 106 -12.037 -13.453 -9.475 1.00 40.20 N ATOM 0 H ASN A 106 -12.186 -8.477 -6.909 1.00 23.11 H new ATOM 0 HA ASN A 106 -11.227 -10.475 -6.864 1.00 62.42 H new ATOM 0 HB2 ASN A 106 -13.228 -11.020 -8.384 1.00 11.41 H new ATOM 0 HB3 ASN A 106 -12.129 -10.907 -9.745 1.00 11.41 H new ATOM 0 HD21 ASN A 106 -11.812 -14.443 -9.378 1.00 40.20 H new ATOM 0 HD22 ASN A 106 -12.456 -13.107 -10.338 1.00 40.20 H new ATOM 1592 N THR A 107 -9.339 -8.799 -8.601 1.00 4.05 N ATOM 1593 CA THR A 107 -7.951 -8.544 -9.041 1.00 54.14 C ATOM 1594 C THR A 107 -7.074 -8.165 -7.820 1.00 71.32 C ATOM 1595 O THR A 107 -5.840 -8.176 -7.887 1.00 30.02 O ATOM 1596 CB THR A 107 -7.915 -7.410 -10.122 1.00 34.15 C ATOM 1597 OG1 THR A 107 -9.004 -7.576 -11.050 1.00 12.10 O ATOM 1598 CG2 THR A 107 -6.592 -7.391 -10.914 1.00 12.15 C ATOM 0 H THR A 107 -9.878 -7.947 -8.445 1.00 4.05 H new ATOM 0 HA THR A 107 -7.551 -9.452 -9.492 1.00 54.14 H new ATOM 0 HB THR A 107 -8.005 -6.465 -9.587 1.00 34.15 H new ATOM 0 HG1 THR A 107 -8.974 -6.862 -11.721 1.00 12.10 H new ATOM 0 HG21 THR A 107 -6.620 -6.587 -11.649 1.00 12.15 H new ATOM 0 HG22 THR A 107 -5.760 -7.228 -10.229 1.00 12.15 H new ATOM 0 HG23 THR A 107 -6.460 -8.345 -11.424 1.00 12.15 H new ATOM 1606 N ASN A 108 -7.763 -7.828 -6.715 1.00 63.14 N ATOM 1607 CA ASN A 108 -7.174 -7.489 -5.402 1.00 11.00 C ATOM 1608 C ASN A 108 -6.264 -8.615 -4.887 1.00 73.12 C ATOM 1609 O ASN A 108 -6.610 -9.767 -4.994 1.00 0.44 O ATOM 1610 CB ASN A 108 -8.343 -7.235 -4.414 1.00 54.13 C ATOM 1611 CG ASN A 108 -7.948 -7.152 -2.936 1.00 23.21 C ATOM 1612 OD1 ASN A 108 -6.854 -6.708 -2.576 1.00 60.15 O ATOM 1613 ND2 ASN A 108 -8.862 -7.549 -2.064 1.00 14.13 N ATOM 0 H ASN A 108 -8.782 -7.782 -6.709 1.00 63.14 H new ATOM 0 HA ASN A 108 -6.551 -6.600 -5.495 1.00 11.00 H new ATOM 0 HB2 ASN A 108 -8.837 -6.304 -4.693 1.00 54.13 H new ATOM 0 HB3 ASN A 108 -9.076 -8.033 -4.532 1.00 54.13 H new ATOM 0 HD21 ASN A 108 -8.671 -7.492 -1.064 1.00 14.13 H new ATOM 0 HD22 ASN A 108 -9.757 -7.911 -2.393 1.00 14.13 H new ATOM 1620 N GLY A 109 -5.125 -8.255 -4.287 1.00 50.13 N ATOM 1621 CA GLY A 109 -4.164 -9.242 -3.776 1.00 13.41 C ATOM 1622 C GLY A 109 -2.878 -9.255 -4.571 1.00 2.03 C ATOM 1623 O GLY A 109 -2.159 -10.256 -4.588 1.00 2.15 O ATOM 0 H GLY A 109 -4.844 -7.285 -4.142 1.00 50.13 H new ATOM 0 HA2 GLY A 109 -3.941 -9.022 -2.732 1.00 13.41 H new ATOM 0 HA3 GLY A 109 -4.616 -10.234 -3.803 1.00 13.41 H new ATOM 1627 N SER A 110 -2.591 -8.125 -5.229 1.00 33.14 N ATOM 1628 CA SER A 110 -1.378 -7.928 -6.018 1.00 10.32 C ATOM 1629 C SER A 110 -0.826 -6.535 -5.725 1.00 72.40 C ATOM 1630 O SER A 110 -1.532 -5.561 -5.946 1.00 33.00 O ATOM 1631 CB SER A 110 -1.721 -8.090 -7.512 1.00 55.33 C ATOM 1632 OG SER A 110 -2.869 -7.343 -7.893 1.00 32.11 O ATOM 0 H SER A 110 -3.207 -7.312 -5.225 1.00 33.14 H new ATOM 0 HA SER A 110 -0.619 -8.666 -5.758 1.00 10.32 H new ATOM 0 HB2 SER A 110 -0.869 -7.772 -8.113 1.00 55.33 H new ATOM 0 HB3 SER A 110 -1.889 -9.145 -7.730 1.00 55.33 H new ATOM 0 HG SER A 110 -3.671 -7.894 -7.776 1.00 32.11 H new ATOM 1638 N GLN A 111 0.428 -6.456 -5.224 1.00 41.13 N ATOM 1639 CA GLN A 111 1.063 -5.183 -4.785 1.00 1.45 C ATOM 1640 C GLN A 111 0.250 -4.501 -3.650 1.00 4.11 C ATOM 1641 O GLN A 111 -0.739 -5.047 -3.140 1.00 34.15 O ATOM 1642 CB GLN A 111 1.247 -4.199 -5.984 1.00 63.33 C ATOM 1643 CG GLN A 111 2.166 -4.693 -7.107 1.00 10.42 C ATOM 1644 CD GLN A 111 2.115 -3.798 -8.342 1.00 41.40 C ATOM 1645 OE1 GLN A 111 2.866 -2.831 -8.461 1.00 74.33 O ATOM 1646 NE2 GLN A 111 1.205 -4.095 -9.261 1.00 1.13 N ATOM 0 H GLN A 111 1.032 -7.270 -5.111 1.00 41.13 H new ATOM 0 HA GLN A 111 2.048 -5.436 -4.392 1.00 1.45 H new ATOM 0 HB2 GLN A 111 0.266 -3.984 -6.409 1.00 63.33 H new ATOM 0 HB3 GLN A 111 1.642 -3.258 -5.602 1.00 63.33 H new ATOM 0 HG2 GLN A 111 3.191 -4.740 -6.739 1.00 10.42 H new ATOM 0 HG3 GLN A 111 1.880 -5.707 -7.386 1.00 10.42 H new ATOM 0 HE21 GLN A 111 0.597 -4.904 -9.134 1.00 1.13 H new ATOM 0 HE22 GLN A 111 1.114 -3.515 -10.095 1.00 1.13 H new ATOM 1655 N PHE A 112 0.686 -3.299 -3.268 1.00 42.33 N ATOM 1656 CA PHE A 112 -0.031 -2.426 -2.323 1.00 3.45 C ATOM 1657 C PHE A 112 0.166 -0.972 -2.750 1.00 11.22 C ATOM 1658 O PHE A 112 1.042 -0.678 -3.566 1.00 71.54 O ATOM 1659 CB PHE A 112 0.444 -2.660 -0.856 1.00 64.21 C ATOM 1660 CG PHE A 112 1.942 -2.437 -0.628 1.00 54.33 C ATOM 1661 CD1 PHE A 112 2.857 -3.470 -0.838 1.00 2.25 C ATOM 1662 CD2 PHE A 112 2.435 -1.193 -0.216 1.00 21.40 C ATOM 1663 CE1 PHE A 112 4.207 -3.269 -0.644 1.00 35.23 C ATOM 1664 CE2 PHE A 112 3.787 -0.997 -0.026 1.00 35.14 C ATOM 1665 CZ PHE A 112 4.672 -2.034 -0.240 1.00 70.02 C ATOM 0 H PHE A 112 1.558 -2.895 -3.608 1.00 42.33 H new ATOM 0 HA PHE A 112 -1.094 -2.667 -2.346 1.00 3.45 H new ATOM 0 HB2 PHE A 112 -0.114 -1.995 -0.197 1.00 64.21 H new ATOM 0 HB3 PHE A 112 0.193 -3.680 -0.565 1.00 64.21 H new ATOM 0 HD1 PHE A 112 2.503 -4.439 -1.157 1.00 2.25 H new ATOM 0 HD2 PHE A 112 1.748 -0.377 -0.045 1.00 21.40 H new ATOM 0 HE1 PHE A 112 4.902 -4.079 -0.808 1.00 35.23 H new ATOM 0 HE2 PHE A 112 4.153 -0.032 0.290 1.00 35.14 H new ATOM 0 HZ PHE A 112 5.730 -1.879 -0.091 1.00 70.02 H new ATOM 1675 N PHE A 113 -0.637 -0.071 -2.183 1.00 11.41 N ATOM 1676 CA PHE A 113 -0.566 1.360 -2.483 1.00 3.41 C ATOM 1677 C PHE A 113 -1.058 2.178 -1.292 1.00 41.24 C ATOM 1678 O PHE A 113 -1.843 1.692 -0.470 1.00 13.44 O ATOM 1679 CB PHE A 113 -1.360 1.712 -3.771 1.00 41.41 C ATOM 1680 CG PHE A 113 -2.881 1.519 -3.722 1.00 13.11 C ATOM 1681 CD1 PHE A 113 -3.732 2.549 -3.318 1.00 74.30 C ATOM 1682 CD2 PHE A 113 -3.454 0.317 -4.106 1.00 31.00 C ATOM 1683 CE1 PHE A 113 -5.099 2.372 -3.298 1.00 44.44 C ATOM 1684 CE2 PHE A 113 -4.825 0.142 -4.088 1.00 34.42 C ATOM 1685 CZ PHE A 113 -5.644 1.167 -3.685 1.00 65.20 C ATOM 0 H PHE A 113 -1.356 -0.313 -1.502 1.00 11.41 H new ATOM 0 HA PHE A 113 0.478 1.614 -2.668 1.00 3.41 H new ATOM 0 HB2 PHE A 113 -1.158 2.754 -4.020 1.00 41.41 H new ATOM 0 HB3 PHE A 113 -0.967 1.107 -4.588 1.00 41.41 H new ATOM 0 HD1 PHE A 113 -3.314 3.498 -3.017 1.00 74.30 H new ATOM 0 HD2 PHE A 113 -2.819 -0.496 -4.425 1.00 31.00 H new ATOM 0 HE1 PHE A 113 -5.743 3.178 -2.979 1.00 44.44 H new ATOM 0 HE2 PHE A 113 -5.252 -0.802 -4.391 1.00 34.42 H new ATOM 0 HZ PHE A 113 -6.715 1.029 -3.671 1.00 65.20 H new ATOM 1695 N ILE A 114 -0.579 3.427 -1.213 1.00 24.21 N ATOM 1696 CA ILE A 114 -0.958 4.375 -0.162 1.00 13.31 C ATOM 1697 C ILE A 114 -1.448 5.676 -0.824 1.00 45.50 C ATOM 1698 O ILE A 114 -0.637 6.442 -1.359 1.00 4.32 O ATOM 1699 CB ILE A 114 0.243 4.706 0.805 1.00 32.35 C ATOM 1700 CG1 ILE A 114 1.016 3.417 1.231 1.00 42.03 C ATOM 1701 CG2 ILE A 114 -0.269 5.481 2.047 1.00 21.42 C ATOM 1702 CD1 ILE A 114 2.354 3.676 1.902 1.00 14.11 C ATOM 0 H ILE A 114 0.088 3.809 -1.884 1.00 24.21 H new ATOM 0 HA ILE A 114 -1.745 3.918 0.437 1.00 13.31 H new ATOM 0 HB ILE A 114 0.947 5.337 0.262 1.00 32.35 H new ATOM 0 HG12 ILE A 114 0.389 2.841 1.911 1.00 42.03 H new ATOM 0 HG13 ILE A 114 1.180 2.799 0.348 1.00 42.03 H new ATOM 0 HG21 ILE A 114 0.569 5.704 2.708 1.00 21.42 H new ATOM 0 HG22 ILE A 114 -0.737 6.412 1.727 1.00 21.42 H new ATOM 0 HG23 ILE A 114 -0.999 4.872 2.580 1.00 21.42 H new ATOM 0 HD11 ILE A 114 2.820 2.726 2.163 1.00 14.11 H new ATOM 0 HD12 ILE A 114 3.004 4.223 1.219 1.00 14.11 H new ATOM 0 HD13 ILE A 114 2.200 4.265 2.806 1.00 14.11 H new ATOM 1714 N CYS A 115 -2.773 5.892 -0.830 1.00 2.15 N ATOM 1715 CA CYS A 115 -3.376 7.150 -1.283 1.00 52.45 C ATOM 1716 C CYS A 115 -3.128 8.236 -0.221 1.00 0.31 C ATOM 1717 O CYS A 115 -3.726 8.205 0.859 1.00 3.33 O ATOM 1718 CB CYS A 115 -4.885 6.960 -1.529 1.00 11.00 C ATOM 1719 SG CYS A 115 -5.276 5.644 -2.701 1.00 12.33 S ATOM 0 H CYS A 115 -3.454 5.198 -0.521 1.00 2.15 H new ATOM 0 HA CYS A 115 -2.920 7.459 -2.224 1.00 52.45 H new ATOM 0 HB2 CYS A 115 -5.373 6.744 -0.579 1.00 11.00 H new ATOM 0 HB3 CYS A 115 -5.304 7.897 -1.897 1.00 11.00 H new ATOM 0 HG CYS A 115 -4.674 4.549 -2.341 1.00 12.33 H new ATOM 1725 N THR A 116 -2.219 9.172 -0.529 1.00 50.24 N ATOM 1726 CA THR A 116 -1.819 10.251 0.400 1.00 14.21 C ATOM 1727 C THR A 116 -2.938 11.291 0.572 1.00 73.34 C ATOM 1728 O THR A 116 -2.931 12.066 1.531 1.00 13.21 O ATOM 1729 CB THR A 116 -0.529 10.960 -0.107 1.00 44.02 C ATOM 1730 OG1 THR A 116 -0.782 11.496 -1.414 1.00 31.45 O ATOM 1731 CG2 THR A 116 0.675 9.998 -0.160 1.00 4.12 C ATOM 0 H THR A 116 -1.738 9.207 -1.428 1.00 50.24 H new ATOM 0 HA THR A 116 -1.624 9.789 1.368 1.00 14.21 H new ATOM 0 HB THR A 116 -0.276 11.757 0.592 1.00 44.02 H new ATOM 0 HG1 THR A 116 -0.197 11.057 -2.066 1.00 31.45 H new ATOM 0 HG21 THR A 116 1.554 10.534 -0.519 1.00 4.12 H new ATOM 0 HG22 THR A 116 0.872 9.606 0.838 1.00 4.12 H new ATOM 0 HG23 THR A 116 0.452 9.173 -0.836 1.00 4.12 H new ATOM 1739 N ALA A 117 -3.880 11.307 -0.375 1.00 32.14 N ATOM 1740 CA ALA A 117 -5.050 12.194 -0.345 1.00 21.33 C ATOM 1741 C ALA A 117 -6.339 11.369 -0.452 1.00 62.53 C ATOM 1742 O ALA A 117 -6.297 10.157 -0.726 1.00 34.01 O ATOM 1743 CB ALA A 117 -4.956 13.228 -1.477 1.00 73.11 C ATOM 0 H ALA A 117 -3.853 10.699 -1.193 1.00 32.14 H new ATOM 0 HA ALA A 117 -5.070 12.731 0.603 1.00 21.33 H new ATOM 0 HB1 ALA A 117 -5.828 13.881 -1.447 1.00 73.11 H new ATOM 0 HB2 ALA A 117 -4.052 13.824 -1.351 1.00 73.11 H new ATOM 0 HB3 ALA A 117 -4.921 12.714 -2.437 1.00 73.11 H new ATOM 1749 N LYS A 118 -7.477 12.043 -0.216 1.00 21.22 N ATOM 1750 CA LYS A 118 -8.813 11.444 -0.351 1.00 25.23 C ATOM 1751 C LYS A 118 -9.170 11.218 -1.842 1.00 12.51 C ATOM 1752 O LYS A 118 -9.766 12.077 -2.513 1.00 44.02 O ATOM 1753 CB LYS A 118 -9.879 12.310 0.385 1.00 62.44 C ATOM 1754 CG LYS A 118 -9.840 13.821 0.060 1.00 73.33 C ATOM 1755 CD LYS A 118 -10.991 14.616 0.719 1.00 22.21 C ATOM 1756 CE LYS A 118 -12.381 14.135 0.258 1.00 23.54 C ATOM 1757 NZ LYS A 118 -12.519 14.148 -1.225 1.00 60.43 N ATOM 0 H LYS A 118 -7.495 13.021 0.074 1.00 21.22 H new ATOM 0 HA LYS A 118 -8.806 10.464 0.126 1.00 25.23 H new ATOM 0 HB2 LYS A 118 -10.869 11.927 0.137 1.00 62.44 H new ATOM 0 HB3 LYS A 118 -9.748 12.183 1.460 1.00 62.44 H new ATOM 0 HG2 LYS A 118 -8.887 14.233 0.391 1.00 73.33 H new ATOM 0 HG3 LYS A 118 -9.887 13.955 -1.021 1.00 73.33 H new ATOM 0 HD2 LYS A 118 -10.919 14.522 1.803 1.00 22.21 H new ATOM 0 HD3 LYS A 118 -10.879 15.674 0.482 1.00 22.21 H new ATOM 0 HE2 LYS A 118 -12.555 13.125 0.628 1.00 23.54 H new ATOM 0 HE3 LYS A 118 -13.148 14.772 0.698 1.00 23.54 H new ATOM 0 HZ1 LYS A 118 -13.506 13.949 -1.484 1.00 60.43 H new ATOM 0 HZ2 LYS A 118 -12.247 15.083 -1.591 1.00 60.43 H new ATOM 0 HZ3 LYS A 118 -11.900 13.422 -1.638 1.00 60.43 H new ATOM 1771 N THR A 119 -8.767 10.041 -2.349 1.00 51.23 N ATOM 1772 CA THR A 119 -8.944 9.656 -3.749 1.00 74.43 C ATOM 1773 C THR A 119 -10.346 9.042 -3.953 1.00 42.55 C ATOM 1774 O THR A 119 -10.549 7.829 -3.882 1.00 55.25 O ATOM 1775 CB THR A 119 -7.798 8.675 -4.162 1.00 73.03 C ATOM 1776 OG1 THR A 119 -7.779 7.544 -3.274 1.00 73.44 O ATOM 1777 CG2 THR A 119 -6.422 9.364 -4.119 1.00 73.41 C ATOM 0 H THR A 119 -8.305 9.326 -1.788 1.00 51.23 H new ATOM 0 HA THR A 119 -8.882 10.532 -4.394 1.00 74.43 H new ATOM 0 HB THR A 119 -7.994 8.351 -5.184 1.00 73.03 H new ATOM 0 HG1 THR A 119 -6.880 7.155 -3.259 1.00 73.44 H new ATOM 0 HG21 THR A 119 -5.650 8.653 -4.412 1.00 73.41 H new ATOM 0 HG22 THR A 119 -6.417 10.209 -4.807 1.00 73.41 H new ATOM 0 HG23 THR A 119 -6.224 9.719 -3.107 1.00 73.41 H new ATOM 1785 N GLU A 120 -11.307 9.931 -4.230 1.00 43.22 N ATOM 1786 CA GLU A 120 -12.753 9.618 -4.240 1.00 41.31 C ATOM 1787 C GLU A 120 -13.176 8.776 -5.457 1.00 52.21 C ATOM 1788 O GLU A 120 -14.143 8.004 -5.387 1.00 60.13 O ATOM 1789 CB GLU A 120 -13.534 10.954 -4.142 1.00 53.13 C ATOM 1790 CG GLU A 120 -13.159 12.002 -5.214 1.00 75.21 C ATOM 1791 CD GLU A 120 -13.614 13.420 -4.846 1.00 10.44 C ATOM 1792 OE1 GLU A 120 -12.899 14.083 -4.063 1.00 75.12 O ATOM 1793 OE2 GLU A 120 -14.680 13.873 -5.309 1.00 14.31 O ATOM 0 H GLU A 120 -11.106 10.905 -4.458 1.00 43.22 H new ATOM 0 HA GLU A 120 -12.990 8.991 -3.381 1.00 41.31 H new ATOM 0 HB2 GLU A 120 -14.600 10.742 -4.218 1.00 53.13 H new ATOM 0 HB3 GLU A 120 -13.365 11.386 -3.156 1.00 53.13 H new ATOM 0 HG2 GLU A 120 -12.078 11.998 -5.357 1.00 75.21 H new ATOM 0 HG3 GLU A 120 -13.607 11.717 -6.166 1.00 75.21 H new ATOM 1800 N TRP A 121 -12.414 8.896 -6.550 1.00 71.32 N ATOM 1801 CA TRP A 121 -12.629 8.120 -7.790 1.00 43.32 C ATOM 1802 C TRP A 121 -12.261 6.626 -7.605 1.00 61.12 C ATOM 1803 O TRP A 121 -12.560 5.795 -8.470 1.00 12.20 O ATOM 1804 CB TRP A 121 -11.838 8.761 -8.968 1.00 51.35 C ATOM 1805 CG TRP A 121 -10.362 8.973 -8.697 1.00 75.14 C ATOM 1806 CD1 TRP A 121 -9.332 8.139 -9.025 1.00 14.34 C ATOM 1807 CD2 TRP A 121 -9.759 10.106 -8.044 1.00 24.02 C ATOM 1808 NE1 TRP A 121 -8.143 8.666 -8.594 1.00 50.31 N ATOM 1809 CE2 TRP A 121 -8.380 9.875 -7.993 1.00 72.24 C ATOM 1810 CE3 TRP A 121 -10.263 11.286 -7.484 1.00 64.11 C ATOM 1811 CZ2 TRP A 121 -7.495 10.782 -7.418 1.00 51.11 C ATOM 1812 CZ3 TRP A 121 -9.386 12.183 -6.916 1.00 53.44 C ATOM 1813 CH2 TRP A 121 -8.012 11.924 -6.882 1.00 13.52 C ATOM 0 H TRP A 121 -11.623 9.538 -6.606 1.00 71.32 H new ATOM 0 HA TRP A 121 -13.692 8.153 -8.030 1.00 43.32 H new ATOM 0 HB2 TRP A 121 -11.945 8.126 -9.848 1.00 51.35 H new ATOM 0 HB3 TRP A 121 -12.291 9.722 -9.212 1.00 51.35 H new ATOM 0 HD1 TRP A 121 -9.439 7.200 -9.548 1.00 14.34 H new ATOM 0 HE1 TRP A 121 -7.228 8.229 -8.703 1.00 50.31 H new ATOM 0 HE3 TRP A 121 -11.324 11.490 -7.497 1.00 64.11 H new ATOM 0 HZ2 TRP A 121 -6.433 10.588 -7.397 1.00 51.11 H new ATOM 0 HZ3 TRP A 121 -9.765 13.100 -6.490 1.00 53.44 H new ATOM 0 HH2 TRP A 121 -7.348 12.642 -6.423 1.00 13.52 H new ATOM 1824 N LEU A 122 -11.613 6.294 -6.472 1.00 64.31 N ATOM 1825 CA LEU A 122 -11.243 4.906 -6.128 1.00 25.14 C ATOM 1826 C LEU A 122 -12.298 4.244 -5.223 1.00 73.14 C ATOM 1827 O LEU A 122 -12.120 3.083 -4.818 1.00 71.45 O ATOM 1828 CB LEU A 122 -9.851 4.869 -5.449 1.00 74.45 C ATOM 1829 CG LEU A 122 -8.662 5.463 -6.262 1.00 31.43 C ATOM 1830 CD1 LEU A 122 -7.323 5.213 -5.540 1.00 71.31 C ATOM 1831 CD2 LEU A 122 -8.639 4.916 -7.706 1.00 42.03 C ATOM 0 H LEU A 122 -11.331 6.978 -5.770 1.00 64.31 H new ATOM 0 HA LEU A 122 -11.199 4.337 -7.057 1.00 25.14 H new ATOM 0 HB2 LEU A 122 -9.919 5.406 -4.503 1.00 74.45 H new ATOM 0 HB3 LEU A 122 -9.616 3.832 -5.210 1.00 74.45 H new ATOM 0 HG LEU A 122 -8.807 6.541 -6.328 1.00 31.43 H new ATOM 0 HD11 LEU A 122 -6.508 5.637 -6.127 1.00 71.31 H new ATOM 0 HD12 LEU A 122 -7.346 5.685 -4.558 1.00 71.31 H new ATOM 0 HD13 LEU A 122 -7.167 4.140 -5.424 1.00 71.31 H new ATOM 0 HD21 LEU A 122 -7.798 5.350 -8.246 1.00 42.03 H new ATOM 0 HD22 LEU A 122 -8.534 3.831 -7.683 1.00 42.03 H new ATOM 0 HD23 LEU A 122 -9.569 5.180 -8.210 1.00 42.03 H new ATOM 1843 N ASP A 123 -13.371 4.981 -4.880 1.00 3.21 N ATOM 1844 CA ASP A 123 -14.519 4.404 -4.149 1.00 14.10 C ATOM 1845 C ASP A 123 -15.301 3.481 -5.102 1.00 62.41 C ATOM 1846 O ASP A 123 -15.675 3.902 -6.202 1.00 73.51 O ATOM 1847 CB ASP A 123 -15.451 5.509 -3.572 1.00 2.25 C ATOM 1848 CG ASP A 123 -14.798 6.456 -2.540 1.00 73.33 C ATOM 1849 OD1 ASP A 123 -13.588 6.318 -2.228 1.00 21.30 O ATOM 1850 OD2 ASP A 123 -15.511 7.344 -2.020 1.00 3.00 O ATOM 0 H ASP A 123 -13.469 5.973 -5.095 1.00 3.21 H new ATOM 0 HA ASP A 123 -14.142 3.832 -3.301 1.00 14.10 H new ATOM 0 HB2 ASP A 123 -15.831 6.108 -4.399 1.00 2.25 H new ATOM 0 HB3 ASP A 123 -16.311 5.028 -3.105 1.00 2.25 H new ATOM 1855 N GLY A 124 -15.514 2.223 -4.682 1.00 14.01 N ATOM 1856 CA GLY A 124 -16.090 1.184 -5.550 1.00 52.20 C ATOM 1857 C GLY A 124 -15.035 0.171 -5.982 1.00 63.03 C ATOM 1858 O GLY A 124 -15.353 -0.982 -6.283 1.00 62.32 O ATOM 0 H GLY A 124 -15.294 1.900 -3.740 1.00 14.01 H new ATOM 0 HA2 GLY A 124 -16.894 0.671 -5.022 1.00 52.20 H new ATOM 0 HA3 GLY A 124 -16.533 1.648 -6.431 1.00 52.20 H new ATOM 1862 N LYS A 125 -13.765 0.631 -6.023 1.00 42.51 N ATOM 1863 CA LYS A 125 -12.571 -0.224 -6.226 1.00 73.02 C ATOM 1864 C LYS A 125 -12.220 -0.892 -4.862 1.00 15.20 C ATOM 1865 O LYS A 125 -13.049 -0.853 -3.938 1.00 11.35 O ATOM 1866 CB LYS A 125 -11.404 0.636 -6.819 1.00 4.22 C ATOM 1867 CG LYS A 125 -10.253 -0.173 -7.473 1.00 1.10 C ATOM 1868 CD LYS A 125 -9.158 0.706 -8.115 1.00 24.31 C ATOM 1869 CE LYS A 125 -9.686 1.538 -9.300 1.00 4.05 C ATOM 1870 NZ LYS A 125 -10.310 0.686 -10.353 1.00 72.20 N ATOM 0 H LYS A 125 -13.536 1.619 -5.915 1.00 42.51 H new ATOM 0 HA LYS A 125 -12.759 -1.019 -6.948 1.00 73.02 H new ATOM 0 HB2 LYS A 125 -11.817 1.316 -7.564 1.00 4.22 H new ATOM 0 HB3 LYS A 125 -10.987 1.252 -6.022 1.00 4.22 H new ATOM 0 HG2 LYS A 125 -9.796 -0.812 -6.717 1.00 1.10 H new ATOM 0 HG3 LYS A 125 -10.671 -0.830 -8.235 1.00 1.10 H new ATOM 0 HD2 LYS A 125 -8.746 1.376 -7.360 1.00 24.31 H new ATOM 0 HD3 LYS A 125 -8.341 0.071 -8.457 1.00 24.31 H new ATOM 0 HE2 LYS A 125 -10.418 2.259 -8.938 1.00 4.05 H new ATOM 0 HE3 LYS A 125 -8.865 2.108 -9.735 1.00 4.05 H new ATOM 0 HZ1 LYS A 125 -10.388 1.228 -11.237 1.00 72.20 H new ATOM 0 HZ2 LYS A 125 -9.720 -0.155 -10.514 1.00 72.20 H new ATOM 0 HZ3 LYS A 125 -11.258 0.390 -10.044 1.00 72.20 H new ATOM 1884 N HIS A 126 -11.007 -1.471 -4.703 1.00 62.34 N ATOM 1885 CA HIS A 126 -10.693 -2.327 -3.547 1.00 13.12 C ATOM 1886 C HIS A 126 -10.729 -1.521 -2.232 1.00 52.24 C ATOM 1887 O HIS A 126 -10.186 -0.414 -2.130 1.00 32.45 O ATOM 1888 CB HIS A 126 -9.299 -3.008 -3.707 1.00 64.10 C ATOM 1889 CG HIS A 126 -8.782 -3.681 -2.447 1.00 14.34 C ATOM 1890 ND1 HIS A 126 -7.519 -3.478 -1.949 1.00 60.33 N ATOM 1891 CD2 HIS A 126 -9.392 -4.498 -1.555 1.00 43.35 C ATOM 1892 CE1 HIS A 126 -7.381 -4.140 -0.822 1.00 4.22 C ATOM 1893 NE2 HIS A 126 -8.502 -4.764 -0.559 1.00 34.15 N ATOM 0 H HIS A 126 -10.236 -1.358 -5.361 1.00 62.34 H new ATOM 0 HA HIS A 126 -11.457 -3.103 -3.506 1.00 13.12 H new ATOM 0 HB2 HIS A 126 -9.360 -3.751 -4.502 1.00 64.10 H new ATOM 0 HB3 HIS A 126 -8.576 -2.258 -4.027 1.00 64.10 H new ATOM 0 HD1 HIS A 126 -6.799 -2.903 -2.386 1.00 60.33 H new ATOM 0 HD2 HIS A 126 -10.403 -4.872 -1.622 1.00 43.35 H new ATOM 0 HE1 HIS A 126 -6.490 -4.165 -0.213 1.00 4.22 H new ATOM 1902 N VAL A 127 -11.384 -2.154 -1.255 1.00 34.21 N ATOM 1903 CA VAL A 127 -11.604 -1.646 0.100 1.00 14.24 C ATOM 1904 C VAL A 127 -10.266 -1.376 0.815 1.00 74.04 C ATOM 1905 O VAL A 127 -9.279 -2.092 0.602 1.00 73.32 O ATOM 1906 CB VAL A 127 -12.431 -2.683 0.958 1.00 74.33 C ATOM 1907 CG1 VAL A 127 -12.964 -2.040 2.262 1.00 71.41 C ATOM 1908 CG2 VAL A 127 -13.574 -3.326 0.134 1.00 34.34 C ATOM 0 H VAL A 127 -11.794 -3.077 -1.395 1.00 34.21 H new ATOM 0 HA VAL A 127 -12.161 -0.714 0.008 1.00 14.24 H new ATOM 0 HB VAL A 127 -11.749 -3.484 1.242 1.00 74.33 H new ATOM 0 HG11 VAL A 127 -13.528 -2.781 2.829 1.00 71.41 H new ATOM 0 HG12 VAL A 127 -12.126 -1.686 2.862 1.00 71.41 H new ATOM 0 HG13 VAL A 127 -13.614 -1.200 2.015 1.00 71.41 H new ATOM 0 HG21 VAL A 127 -14.120 -4.033 0.759 1.00 34.34 H new ATOM 0 HG22 VAL A 127 -14.254 -2.548 -0.213 1.00 34.34 H new ATOM 0 HG23 VAL A 127 -13.154 -3.850 -0.725 1.00 34.34 H new ATOM 1918 N VAL A 128 -10.250 -0.351 1.656 1.00 65.04 N ATOM 1919 CA VAL A 128 -9.093 -0.015 2.497 1.00 61.15 C ATOM 1920 C VAL A 128 -9.006 -1.028 3.661 1.00 62.11 C ATOM 1921 O VAL A 128 -10.013 -1.653 4.009 1.00 11.44 O ATOM 1922 CB VAL A 128 -9.239 1.444 3.054 1.00 31.01 C ATOM 1923 CG1 VAL A 128 -7.958 1.936 3.756 1.00 31.44 C ATOM 1924 CG2 VAL A 128 -9.683 2.411 1.934 1.00 74.50 C ATOM 0 H VAL A 128 -11.042 0.280 1.780 1.00 65.04 H new ATOM 0 HA VAL A 128 -8.180 -0.066 1.904 1.00 61.15 H new ATOM 0 HB VAL A 128 -10.017 1.426 3.817 1.00 31.01 H new ATOM 0 HG11 VAL A 128 -8.111 2.951 4.123 1.00 31.44 H new ATOM 0 HG12 VAL A 128 -7.726 1.278 4.594 1.00 31.44 H new ATOM 0 HG13 VAL A 128 -7.129 1.928 3.048 1.00 31.44 H new ATOM 0 HG21 VAL A 128 -9.779 3.418 2.340 1.00 74.50 H new ATOM 0 HG22 VAL A 128 -8.940 2.410 1.137 1.00 74.50 H new ATOM 0 HG23 VAL A 128 -10.644 2.088 1.534 1.00 74.50 H new ATOM 1934 N PHE A 129 -7.808 -1.213 4.236 1.00 5.02 N ATOM 1935 CA PHE A 129 -7.632 -2.061 5.442 1.00 41.50 C ATOM 1936 C PHE A 129 -6.680 -1.409 6.452 1.00 70.25 C ATOM 1937 O PHE A 129 -6.556 -1.892 7.571 1.00 63.32 O ATOM 1938 CB PHE A 129 -7.130 -3.477 5.056 1.00 15.40 C ATOM 1939 CG PHE A 129 -5.828 -3.480 4.262 1.00 30.24 C ATOM 1940 CD1 PHE A 129 -4.601 -3.286 4.893 1.00 75.01 C ATOM 1941 CD2 PHE A 129 -5.836 -3.647 2.887 1.00 21.52 C ATOM 1942 CE1 PHE A 129 -3.438 -3.257 4.175 1.00 13.12 C ATOM 1943 CE2 PHE A 129 -4.668 -3.624 2.176 1.00 44.24 C ATOM 1944 CZ PHE A 129 -3.469 -3.427 2.813 1.00 30.33 C ATOM 0 H PHE A 129 -6.945 -0.792 3.893 1.00 5.02 H new ATOM 0 HA PHE A 129 -8.608 -2.160 5.918 1.00 41.50 H new ATOM 0 HB2 PHE A 129 -6.990 -4.062 5.965 1.00 15.40 H new ATOM 0 HB3 PHE A 129 -7.901 -3.977 4.471 1.00 15.40 H new ATOM 0 HD1 PHE A 129 -4.568 -3.157 5.965 1.00 75.01 H new ATOM 0 HD2 PHE A 129 -6.773 -3.797 2.372 1.00 21.52 H new ATOM 0 HE1 PHE A 129 -2.496 -3.100 4.679 1.00 13.12 H new ATOM 0 HE2 PHE A 129 -4.690 -3.762 1.105 1.00 44.24 H new ATOM 0 HZ PHE A 129 -2.551 -3.406 2.244 1.00 30.33 H new ATOM 1954 N GLY A 130 -5.979 -0.348 6.026 1.00 45.34 N ATOM 1955 CA GLY A 130 -4.992 0.327 6.865 1.00 22.34 C ATOM 1956 C GLY A 130 -4.919 1.808 6.555 1.00 42.24 C ATOM 1957 O GLY A 130 -5.329 2.237 5.478 1.00 2.53 O ATOM 0 H GLY A 130 -6.083 0.060 5.097 1.00 45.34 H new ATOM 0 HA2 GLY A 130 -5.248 0.186 7.915 1.00 22.34 H new ATOM 0 HA3 GLY A 130 -4.013 -0.126 6.713 1.00 22.34 H new ATOM 1961 N LYS A 131 -4.403 2.589 7.501 1.00 50.14 N ATOM 1962 CA LYS A 131 -4.238 4.045 7.343 1.00 75.24 C ATOM 1963 C LYS A 131 -2.999 4.500 8.107 1.00 23.41 C ATOM 1964 O LYS A 131 -2.778 4.060 9.239 1.00 12.04 O ATOM 1965 CB LYS A 131 -5.488 4.788 7.871 1.00 31.55 C ATOM 1966 CG LYS A 131 -5.441 6.333 7.749 1.00 51.02 C ATOM 1967 CD LYS A 131 -6.597 7.026 8.508 1.00 51.14 C ATOM 1968 CE LYS A 131 -6.574 6.720 10.018 1.00 23.25 C ATOM 1969 NZ LYS A 131 -7.639 7.445 10.760 1.00 52.35 N ATOM 0 H LYS A 131 -4.085 2.236 8.403 1.00 50.14 H new ATOM 0 HA LYS A 131 -4.118 4.278 6.285 1.00 75.24 H new ATOM 0 HB2 LYS A 131 -6.362 4.424 7.331 1.00 31.55 H new ATOM 0 HB3 LYS A 131 -5.630 4.527 8.920 1.00 31.55 H new ATOM 0 HG2 LYS A 131 -4.489 6.695 8.136 1.00 51.02 H new ATOM 0 HG3 LYS A 131 -5.484 6.612 6.696 1.00 51.02 H new ATOM 0 HD2 LYS A 131 -6.533 8.104 8.357 1.00 51.14 H new ATOM 0 HD3 LYS A 131 -7.549 6.702 8.089 1.00 51.14 H new ATOM 0 HE2 LYS A 131 -6.695 5.647 10.170 1.00 23.25 H new ATOM 0 HE3 LYS A 131 -5.601 6.992 10.426 1.00 23.25 H new ATOM 0 HZ1 LYS A 131 -7.582 7.206 11.771 1.00 52.35 H new ATOM 0 HZ2 LYS A 131 -7.511 8.470 10.638 1.00 52.35 H new ATOM 0 HZ3 LYS A 131 -8.570 7.167 10.391 1.00 52.35 H new ATOM 1983 N VAL A 132 -2.209 5.388 7.488 1.00 33.22 N ATOM 1984 CA VAL A 132 -1.008 5.953 8.102 1.00 74.14 C ATOM 1985 C VAL A 132 -1.386 6.789 9.343 1.00 21.43 C ATOM 1986 O VAL A 132 -2.051 7.823 9.226 1.00 45.33 O ATOM 1987 CB VAL A 132 -0.199 6.866 7.110 1.00 31.03 C ATOM 1988 CG1 VAL A 132 1.120 7.322 7.755 1.00 64.00 C ATOM 1989 CG2 VAL A 132 0.068 6.160 5.770 1.00 45.43 C ATOM 0 H VAL A 132 -2.389 5.733 6.545 1.00 33.22 H new ATOM 0 HA VAL A 132 -0.377 5.111 8.384 1.00 74.14 H new ATOM 0 HB VAL A 132 -0.810 7.744 6.898 1.00 31.03 H new ATOM 0 HG11 VAL A 132 1.668 7.953 7.055 1.00 64.00 H new ATOM 0 HG12 VAL A 132 0.905 7.887 8.662 1.00 64.00 H new ATOM 0 HG13 VAL A 132 1.723 6.449 8.006 1.00 64.00 H new ATOM 0 HG21 VAL A 132 0.629 6.825 5.114 1.00 45.43 H new ATOM 0 HG22 VAL A 132 0.645 5.252 5.946 1.00 45.43 H new ATOM 0 HG23 VAL A 132 -0.881 5.902 5.299 1.00 45.43 H new ATOM 1999 N LYS A 133 -0.999 6.296 10.521 1.00 41.34 N ATOM 2000 CA LYS A 133 -1.133 7.039 11.787 1.00 23.41 C ATOM 2001 C LYS A 133 0.187 7.753 12.106 1.00 44.24 C ATOM 2002 O LYS A 133 0.190 8.923 12.496 1.00 1.14 O ATOM 2003 CB LYS A 133 -1.575 6.083 12.937 1.00 25.20 C ATOM 2004 CG LYS A 133 -0.726 4.800 13.093 1.00 2.51 C ATOM 2005 CD LYS A 133 -1.251 3.838 14.193 1.00 60.42 C ATOM 2006 CE LYS A 133 -0.657 4.100 15.595 1.00 32.41 C ATOM 2007 NZ LYS A 133 -0.929 5.469 16.101 1.00 4.43 N ATOM 0 H LYS A 133 -0.583 5.371 10.630 1.00 41.34 H new ATOM 0 HA LYS A 133 -1.910 7.797 11.686 1.00 23.41 H new ATOM 0 HB2 LYS A 133 -1.546 6.634 13.877 1.00 25.20 H new ATOM 0 HB3 LYS A 133 -2.612 5.794 12.769 1.00 25.20 H new ATOM 0 HG2 LYS A 133 -0.703 4.271 12.140 1.00 2.51 H new ATOM 0 HG3 LYS A 133 0.301 5.080 13.327 1.00 2.51 H new ATOM 0 HD2 LYS A 133 -2.336 3.924 14.248 1.00 60.42 H new ATOM 0 HD3 LYS A 133 -1.027 2.812 13.901 1.00 60.42 H new ATOM 0 HE2 LYS A 133 -1.065 3.373 16.297 1.00 32.41 H new ATOM 0 HE3 LYS A 133 0.421 3.940 15.561 1.00 32.41 H new ATOM 0 HZ1 LYS A 133 -0.869 5.474 17.139 1.00 4.43 H new ATOM 0 HZ2 LYS A 133 -0.227 6.129 15.710 1.00 4.43 H new ATOM 0 HZ3 LYS A 133 -1.882 5.764 15.808 1.00 4.43 H new ATOM 2021 N GLU A 134 1.307 7.042 11.893 1.00 55.52 N ATOM 2022 CA GLU A 134 2.662 7.546 12.180 1.00 35.12 C ATOM 2023 C GLU A 134 3.443 7.638 10.859 1.00 52.45 C ATOM 2024 O GLU A 134 3.329 6.742 10.024 1.00 72.11 O ATOM 2025 CB GLU A 134 3.409 6.584 13.152 1.00 54.35 C ATOM 2026 CG GLU A 134 2.631 6.154 14.420 1.00 13.44 C ATOM 2027 CD GLU A 134 2.167 7.317 15.309 1.00 71.44 C ATOM 2028 OE1 GLU A 134 3.012 7.928 15.990 1.00 74.21 O ATOM 2029 OE2 GLU A 134 0.951 7.621 15.332 1.00 72.31 O ATOM 0 H GLU A 134 1.298 6.095 11.514 1.00 55.52 H new ATOM 0 HA GLU A 134 2.588 8.527 12.649 1.00 35.12 H new ATOM 0 HB2 GLU A 134 3.687 5.686 12.600 1.00 54.35 H new ATOM 0 HB3 GLU A 134 4.336 7.065 13.465 1.00 54.35 H new ATOM 0 HG2 GLU A 134 1.759 5.575 14.116 1.00 13.44 H new ATOM 0 HG3 GLU A 134 3.263 5.491 15.011 1.00 13.44 H new ATOM 2036 N GLY A 135 4.223 8.715 10.682 1.00 60.11 N ATOM 2037 CA GLY A 135 5.093 8.875 9.511 1.00 5.33 C ATOM 2038 C GLY A 135 4.360 9.278 8.242 1.00 24.53 C ATOM 2039 O GLY A 135 4.806 8.942 7.141 1.00 60.31 O ATOM 0 H GLY A 135 4.268 9.492 11.341 1.00 60.11 H new ATOM 0 HA2 GLY A 135 5.850 9.627 9.735 1.00 5.33 H new ATOM 0 HA3 GLY A 135 5.618 7.937 9.332 1.00 5.33 H new ATOM 2043 N MET A 136 3.234 10.002 8.393 1.00 55.32 N ATOM 2044 CA MET A 136 2.444 10.508 7.252 1.00 10.44 C ATOM 2045 C MET A 136 3.283 11.446 6.366 1.00 74.30 C ATOM 2046 O MET A 136 3.190 11.403 5.132 1.00 23.24 O ATOM 2047 CB MET A 136 1.158 11.213 7.752 1.00 71.44 C ATOM 2048 CG MET A 136 0.246 11.703 6.617 1.00 22.42 C ATOM 2049 SD MET A 136 -0.240 10.361 5.503 1.00 20.00 S ATOM 2050 CE MET A 136 -0.938 11.272 4.127 1.00 53.44 C ATOM 0 H MET A 136 2.848 10.252 9.303 1.00 55.32 H new ATOM 0 HA MET A 136 2.149 9.656 6.639 1.00 10.44 H new ATOM 0 HB2 MET A 136 0.599 10.524 8.385 1.00 71.44 H new ATOM 0 HB3 MET A 136 1.438 12.063 8.375 1.00 71.44 H new ATOM 0 HG2 MET A 136 -0.647 12.161 7.043 1.00 22.42 H new ATOM 0 HG3 MET A 136 0.761 12.477 6.048 1.00 22.42 H new ATOM 0 HE1 MET A 136 -1.703 10.667 3.641 1.00 53.44 H new ATOM 0 HE2 MET A 136 -1.385 12.197 4.492 1.00 53.44 H new ATOM 0 HE3 MET A 136 -0.151 11.507 3.410 1.00 53.44 H new ATOM 2060 N ASN A 137 4.128 12.258 7.023 1.00 63.11 N ATOM 2061 CA ASN A 137 5.067 13.165 6.352 1.00 4.32 C ATOM 2062 C ASN A 137 6.075 12.375 5.492 1.00 44.03 C ATOM 2063 O ASN A 137 6.413 12.803 4.393 1.00 11.31 O ATOM 2064 CB ASN A 137 5.808 14.026 7.403 1.00 13.21 C ATOM 2065 CG ASN A 137 6.732 15.079 6.784 1.00 74.14 C ATOM 2066 OD1 ASN A 137 6.326 16.213 6.545 1.00 51.31 O ATOM 2067 ND2 ASN A 137 7.979 14.706 6.516 1.00 42.13 N ATOM 0 H ASN A 137 4.177 12.302 8.041 1.00 63.11 H new ATOM 0 HA ASN A 137 4.503 13.822 5.689 1.00 4.32 H new ATOM 0 HB2 ASN A 137 5.074 14.524 8.036 1.00 13.21 H new ATOM 0 HB3 ASN A 137 6.395 13.373 8.049 1.00 13.21 H new ATOM 0 HD21 ASN A 137 8.631 15.370 6.099 1.00 42.13 H new ATOM 0 HD22 ASN A 137 8.284 13.756 6.727 1.00 42.13 H new ATOM 2074 N ILE A 138 6.534 11.216 6.015 1.00 30.10 N ATOM 2075 CA ILE A 138 7.507 10.337 5.327 1.00 52.12 C ATOM 2076 C ILE A 138 6.877 9.699 4.063 1.00 52.42 C ATOM 2077 O ILE A 138 7.552 9.530 3.043 1.00 62.33 O ATOM 2078 CB ILE A 138 8.045 9.215 6.300 1.00 62.14 C ATOM 2079 CG1 ILE A 138 8.687 9.841 7.582 1.00 44.13 C ATOM 2080 CG2 ILE A 138 9.047 8.260 5.603 1.00 11.33 C ATOM 2081 CD1 ILE A 138 9.888 10.750 7.335 1.00 53.02 C ATOM 0 H ILE A 138 6.240 10.863 6.926 1.00 30.10 H new ATOM 0 HA ILE A 138 8.351 10.954 5.018 1.00 52.12 H new ATOM 0 HB ILE A 138 7.182 8.619 6.597 1.00 62.14 H new ATOM 0 HG12 ILE A 138 7.923 10.412 8.109 1.00 44.13 H new ATOM 0 HG13 ILE A 138 8.995 9.033 8.245 1.00 44.13 H new ATOM 0 HG21 ILE A 138 9.387 7.507 6.314 1.00 11.33 H new ATOM 0 HG22 ILE A 138 8.557 7.769 4.762 1.00 11.33 H new ATOM 0 HG23 ILE A 138 9.903 8.831 5.242 1.00 11.33 H new ATOM 0 HD11 ILE A 138 10.257 11.131 8.287 1.00 53.02 H new ATOM 0 HD12 ILE A 138 10.677 10.184 6.840 1.00 53.02 H new ATOM 0 HD13 ILE A 138 9.588 11.585 6.701 1.00 53.02 H new ATOM 2093 N VAL A 139 5.572 9.380 4.148 1.00 55.20 N ATOM 2094 CA VAL A 139 4.793 8.820 3.024 1.00 42.12 C ATOM 2095 C VAL A 139 4.669 9.851 1.880 1.00 24.43 C ATOM 2096 O VAL A 139 4.909 9.539 0.705 1.00 1.20 O ATOM 2097 CB VAL A 139 3.366 8.370 3.508 1.00 13.31 C ATOM 2098 CG1 VAL A 139 2.480 7.882 2.343 1.00 53.10 C ATOM 2099 CG2 VAL A 139 3.482 7.278 4.590 1.00 33.11 C ATOM 0 H VAL A 139 5.025 9.503 5.000 1.00 55.20 H new ATOM 0 HA VAL A 139 5.323 7.945 2.647 1.00 42.12 H new ATOM 0 HB VAL A 139 2.881 9.247 3.937 1.00 13.31 H new ATOM 0 HG11 VAL A 139 1.505 7.582 2.728 1.00 53.10 H new ATOM 0 HG12 VAL A 139 2.353 8.688 1.620 1.00 53.10 H new ATOM 0 HG13 VAL A 139 2.955 7.030 1.856 1.00 53.10 H new ATOM 0 HG21 VAL A 139 2.485 6.979 4.913 1.00 33.11 H new ATOM 0 HG22 VAL A 139 4.005 6.414 4.180 1.00 33.11 H new ATOM 0 HG23 VAL A 139 4.038 7.668 5.443 1.00 33.11 H new ATOM 2109 N GLU A 140 4.313 11.083 2.255 1.00 4.12 N ATOM 2110 CA GLU A 140 4.191 12.210 1.314 1.00 65.34 C ATOM 2111 C GLU A 140 5.572 12.599 0.734 1.00 1.40 C ATOM 2112 O GLU A 140 5.675 12.976 -0.441 1.00 64.54 O ATOM 2113 CB GLU A 140 3.523 13.410 2.036 1.00 10.44 C ATOM 2114 CG GLU A 140 2.068 13.145 2.487 1.00 20.33 C ATOM 2115 CD GLU A 140 1.491 14.271 3.367 1.00 62.43 C ATOM 2116 OE1 GLU A 140 1.677 14.225 4.603 1.00 71.44 O ATOM 2117 OE2 GLU A 140 0.868 15.215 2.829 1.00 13.04 O ATOM 0 H GLU A 140 4.100 11.332 3.221 1.00 4.12 H new ATOM 0 HA GLU A 140 3.564 11.911 0.474 1.00 65.34 H new ATOM 0 HB2 GLU A 140 4.120 13.673 2.909 1.00 10.44 H new ATOM 0 HB3 GLU A 140 3.534 14.273 1.370 1.00 10.44 H new ATOM 0 HG2 GLU A 140 1.438 13.022 1.606 1.00 20.33 H new ATOM 0 HG3 GLU A 140 2.031 12.206 3.039 1.00 20.33 H new ATOM 2124 N ALA A 141 6.626 12.476 1.566 1.00 0.11 N ATOM 2125 CA ALA A 141 8.007 12.824 1.181 1.00 22.14 C ATOM 2126 C ALA A 141 8.550 11.836 0.138 1.00 51.45 C ATOM 2127 O ALA A 141 9.147 12.254 -0.863 1.00 0.12 O ATOM 2128 CB ALA A 141 8.917 12.868 2.423 1.00 13.00 C ATOM 0 H ALA A 141 6.543 12.133 2.523 1.00 0.11 H new ATOM 0 HA ALA A 141 7.997 13.816 0.728 1.00 22.14 H new ATOM 0 HB1 ALA A 141 9.932 13.126 2.121 1.00 13.00 H new ATOM 0 HB2 ALA A 141 8.544 13.618 3.121 1.00 13.00 H new ATOM 0 HB3 ALA A 141 8.920 11.891 2.907 1.00 13.00 H new ATOM 2134 N MET A 142 8.303 10.523 0.366 1.00 73.13 N ATOM 2135 CA MET A 142 8.750 9.465 -0.562 1.00 32.33 C ATOM 2136 C MET A 142 7.956 9.536 -1.879 1.00 44.01 C ATOM 2137 O MET A 142 8.487 9.222 -2.947 1.00 72.11 O ATOM 2138 CB MET A 142 8.654 8.044 0.069 1.00 22.13 C ATOM 2139 CG MET A 142 7.237 7.491 0.272 1.00 73.52 C ATOM 2140 SD MET A 142 7.221 5.762 0.790 1.00 32.23 S ATOM 2141 CE MET A 142 5.500 5.523 1.220 1.00 21.54 C ATOM 0 H MET A 142 7.799 10.176 1.182 1.00 73.13 H new ATOM 0 HA MET A 142 9.804 9.644 -0.775 1.00 32.33 H new ATOM 0 HB2 MET A 142 9.206 7.349 -0.564 1.00 22.13 H new ATOM 0 HB3 MET A 142 9.157 8.063 1.036 1.00 22.13 H new ATOM 0 HG2 MET A 142 6.722 8.093 1.020 1.00 73.52 H new ATOM 0 HG3 MET A 142 6.677 7.591 -0.658 1.00 73.52 H new ATOM 0 HE1 MET A 142 5.430 5.116 2.229 1.00 21.54 H new ATOM 0 HE2 MET A 142 4.978 6.479 1.177 1.00 21.54 H new ATOM 0 HE3 MET A 142 5.042 4.828 0.516 1.00 21.54 H new ATOM 2151 N GLU A 143 6.686 9.983 -1.790 1.00 12.22 N ATOM 2152 CA GLU A 143 5.811 10.130 -2.960 1.00 34.34 C ATOM 2153 C GLU A 143 6.365 11.162 -3.973 1.00 60.32 C ATOM 2154 O GLU A 143 6.171 11.015 -5.187 1.00 51.20 O ATOM 2155 CB GLU A 143 4.386 10.525 -2.526 1.00 2.40 C ATOM 2156 CG GLU A 143 3.406 10.643 -3.705 1.00 21.24 C ATOM 2157 CD GLU A 143 2.050 11.215 -3.330 1.00 33.53 C ATOM 2158 OE1 GLU A 143 1.993 12.367 -2.863 1.00 70.12 O ATOM 2159 OE2 GLU A 143 1.042 10.534 -3.506 1.00 21.41 O ATOM 0 H GLU A 143 6.246 10.249 -0.909 1.00 12.22 H new ATOM 0 HA GLU A 143 5.777 9.162 -3.459 1.00 34.34 H new ATOM 0 HB2 GLU A 143 4.009 9.784 -1.821 1.00 2.40 H new ATOM 0 HB3 GLU A 143 4.425 11.477 -1.997 1.00 2.40 H new ATOM 0 HG2 GLU A 143 3.854 11.273 -4.474 1.00 21.24 H new ATOM 0 HG3 GLU A 143 3.263 9.656 -4.145 1.00 21.24 H new ATOM 2166 N ARG A 144 7.071 12.195 -3.467 1.00 42.15 N ATOM 2167 CA ARG A 144 7.684 13.238 -4.319 1.00 5.22 C ATOM 2168 C ARG A 144 8.800 12.663 -5.219 1.00 13.15 C ATOM 2169 O ARG A 144 9.145 13.259 -6.245 1.00 30.35 O ATOM 2170 CB ARG A 144 8.228 14.403 -3.457 1.00 71.41 C ATOM 2171 CG ARG A 144 7.139 15.210 -2.714 1.00 62.02 C ATOM 2172 CD ARG A 144 7.704 16.458 -2.012 1.00 14.15 C ATOM 2173 NE ARG A 144 8.420 17.349 -2.950 1.00 2.41 N ATOM 2174 CZ ARG A 144 8.092 18.618 -3.249 1.00 13.24 C ATOM 2175 NH1 ARG A 144 7.036 19.215 -2.688 1.00 51.51 N ATOM 2176 NH2 ARG A 144 8.825 19.281 -4.129 1.00 72.41 N ATOM 0 H ARG A 144 7.231 12.330 -2.469 1.00 42.15 H new ATOM 0 HA ARG A 144 6.901 13.623 -4.972 1.00 5.22 H new ATOM 0 HB2 ARG A 144 8.928 14.001 -2.725 1.00 71.41 H new ATOM 0 HB3 ARG A 144 8.792 15.081 -4.098 1.00 71.41 H new ATOM 0 HG2 ARG A 144 6.369 15.514 -3.423 1.00 62.02 H new ATOM 0 HG3 ARG A 144 6.657 14.569 -1.976 1.00 62.02 H new ATOM 0 HD2 ARG A 144 6.889 17.008 -1.541 1.00 14.15 H new ATOM 0 HD3 ARG A 144 8.382 16.150 -1.217 1.00 14.15 H new ATOM 0 HE ARG A 144 9.242 16.964 -3.415 1.00 2.41 H new ATOM 0 HH11 ARG A 144 6.459 18.707 -2.017 1.00 51.51 H new ATOM 0 HH12 ARG A 144 6.807 20.179 -2.930 1.00 51.51 H new ATOM 0 HH21 ARG A 144 9.626 18.829 -4.570 1.00 72.41 H new ATOM 0 HH22 ARG A 144 8.589 20.244 -4.367 1.00 72.41 H new ATOM 2190 N PHE A 145 9.343 11.493 -4.830 1.00 31.45 N ATOM 2191 CA PHE A 145 10.365 10.769 -5.616 1.00 72.01 C ATOM 2192 C PHE A 145 9.720 9.855 -6.686 1.00 74.50 C ATOM 2193 O PHE A 145 10.394 8.992 -7.263 1.00 41.14 O ATOM 2194 CB PHE A 145 11.266 9.947 -4.667 1.00 64.43 C ATOM 2195 CG PHE A 145 11.993 10.785 -3.618 1.00 10.44 C ATOM 2196 CD1 PHE A 145 12.980 11.691 -3.995 1.00 52.22 C ATOM 2197 CD2 PHE A 145 11.695 10.662 -2.265 1.00 45.24 C ATOM 2198 CE1 PHE A 145 13.640 12.448 -3.051 1.00 14.22 C ATOM 2199 CE2 PHE A 145 12.355 11.419 -1.319 1.00 14.32 C ATOM 2200 CZ PHE A 145 13.326 12.311 -1.713 1.00 0.24 C ATOM 0 H PHE A 145 9.086 11.022 -3.962 1.00 31.45 H new ATOM 0 HA PHE A 145 10.974 11.503 -6.143 1.00 72.01 H new ATOM 0 HB2 PHE A 145 10.656 9.199 -4.160 1.00 64.43 H new ATOM 0 HB3 PHE A 145 12.004 9.407 -5.261 1.00 64.43 H new ATOM 0 HD1 PHE A 145 13.232 11.802 -5.039 1.00 52.22 H new ATOM 0 HD2 PHE A 145 10.935 9.963 -1.950 1.00 45.24 H new ATOM 0 HE1 PHE A 145 14.403 13.148 -3.358 1.00 14.22 H new ATOM 0 HE2 PHE A 145 12.110 11.312 -0.273 1.00 14.32 H new ATOM 0 HZ PHE A 145 13.844 12.905 -0.974 1.00 0.24 H new ATOM 2210 N GLY A 146 8.412 10.052 -6.932 1.00 63.12 N ATOM 2211 CA GLY A 146 7.707 9.429 -8.054 1.00 11.54 C ATOM 2212 C GLY A 146 7.577 10.378 -9.234 1.00 50.22 C ATOM 2213 O GLY A 146 8.045 11.526 -9.179 1.00 14.14 O ATOM 0 H GLY A 146 7.819 10.649 -6.355 1.00 63.12 H new ATOM 0 HA2 GLY A 146 8.241 8.532 -8.366 1.00 11.54 H new ATOM 0 HA3 GLY A 146 6.715 9.113 -7.730 1.00 11.54 H new ATOM 2217 N SER A 147 6.932 9.909 -10.309 1.00 24.25 N ATOM 2218 CA SER A 147 6.804 10.669 -11.570 1.00 44.22 C ATOM 2219 C SER A 147 5.362 10.636 -12.094 1.00 63.43 C ATOM 2220 O SER A 147 4.553 9.789 -11.696 1.00 73.33 O ATOM 2221 CB SER A 147 7.781 10.112 -12.625 1.00 45.41 C ATOM 2222 OG SER A 147 9.082 9.973 -12.087 1.00 14.40 O ATOM 0 H SER A 147 6.483 8.994 -10.335 1.00 24.25 H new ATOM 0 HA SER A 147 7.059 11.710 -11.370 1.00 44.22 H new ATOM 0 HB2 SER A 147 7.425 9.145 -12.981 1.00 45.41 H new ATOM 0 HB3 SER A 147 7.809 10.778 -13.487 1.00 45.41 H new ATOM 0 HG SER A 147 9.141 9.133 -11.586 1.00 14.40 H new ATOM 2228 N ARG A 148 5.070 11.566 -13.013 1.00 75.41 N ATOM 2229 CA ARG A 148 3.738 11.753 -13.613 1.00 51.32 C ATOM 2230 C ARG A 148 3.326 10.574 -14.515 1.00 4.34 C ATOM 2231 O ARG A 148 2.136 10.288 -14.660 1.00 33.00 O ATOM 2232 CB ARG A 148 3.726 13.091 -14.401 1.00 33.10 C ATOM 2233 CG ARG A 148 3.772 14.345 -13.497 1.00 41.24 C ATOM 2234 CD ARG A 148 2.470 14.547 -12.690 1.00 61.30 C ATOM 2235 NE ARG A 148 1.349 14.987 -13.551 1.00 32.50 N ATOM 2236 CZ ARG A 148 0.399 14.198 -14.091 1.00 10.33 C ATOM 2237 NH1 ARG A 148 0.390 12.880 -13.886 1.00 65.13 N ATOM 2238 NH2 ARG A 148 -0.556 14.737 -14.823 1.00 35.23 N ATOM 0 H ARG A 148 5.765 12.223 -13.368 1.00 75.41 H new ATOM 0 HA ARG A 148 3.001 11.789 -12.810 1.00 51.32 H new ATOM 0 HB2 ARG A 148 4.579 13.111 -15.079 1.00 33.10 H new ATOM 0 HB3 ARG A 148 2.828 13.131 -15.018 1.00 33.10 H new ATOM 0 HG2 ARG A 148 4.612 14.260 -12.808 1.00 41.24 H new ATOM 0 HG3 ARG A 148 3.953 15.226 -14.113 1.00 41.24 H new ATOM 0 HD2 ARG A 148 2.202 13.614 -12.194 1.00 61.30 H new ATOM 0 HD3 ARG A 148 2.639 15.287 -11.908 1.00 61.30 H new ATOM 0 HE ARG A 148 1.290 15.985 -13.756 1.00 32.50 H new ATOM 0 HH11 ARG A 148 1.113 12.449 -13.310 1.00 65.13 H new ATOM 0 HH12 ARG A 148 -0.340 12.304 -14.305 1.00 65.13 H new ATOM 0 HH21 ARG A 148 -0.573 15.745 -14.978 1.00 35.23 H new ATOM 0 HH22 ARG A 148 -1.278 14.146 -15.235 1.00 35.23 H new ATOM 2252 N ASN A 149 4.319 9.899 -15.112 1.00 61.43 N ATOM 2253 CA ASN A 149 4.096 8.709 -15.969 1.00 72.43 C ATOM 2254 C ASN A 149 3.990 7.412 -15.128 1.00 1.31 C ATOM 2255 O ASN A 149 3.743 6.332 -15.681 1.00 21.34 O ATOM 2256 CB ASN A 149 5.231 8.583 -17.029 1.00 1.44 C ATOM 2257 CG ASN A 149 6.639 8.399 -16.437 1.00 71.11 C ATOM 2258 OD1 ASN A 149 6.934 8.865 -15.340 1.00 43.12 O ATOM 2259 ND2 ASN A 149 7.521 7.729 -17.163 1.00 12.41 N ATOM 0 H ASN A 149 5.302 10.157 -15.019 1.00 61.43 H new ATOM 0 HA ASN A 149 3.146 8.845 -16.485 1.00 72.43 H new ATOM 0 HB2 ASN A 149 5.011 7.737 -17.680 1.00 1.44 H new ATOM 0 HB3 ASN A 149 5.227 9.476 -17.655 1.00 1.44 H new ATOM 0 HD21 ASN A 149 8.469 7.591 -16.814 1.00 12.41 H new ATOM 0 HD22 ASN A 149 7.252 7.351 -18.072 1.00 12.41 H new ATOM 2266 N GLY A 150 4.181 7.534 -13.793 1.00 43.44 N ATOM 2267 CA GLY A 150 4.090 6.393 -12.868 1.00 34.14 C ATOM 2268 C GLY A 150 5.452 5.833 -12.469 1.00 5.43 C ATOM 2269 O GLY A 150 5.532 4.986 -11.580 1.00 55.41 O ATOM 0 H GLY A 150 4.400 8.419 -13.336 1.00 43.44 H new ATOM 0 HA2 GLY A 150 3.555 6.703 -11.971 1.00 34.14 H new ATOM 0 HA3 GLY A 150 3.501 5.602 -13.333 1.00 34.14 H new ATOM 2273 N LYS A 151 6.518 6.310 -13.135 1.00 45.31 N ATOM 2274 CA LYS A 151 7.912 5.906 -12.855 1.00 44.55 C ATOM 2275 C LYS A 151 8.334 6.370 -11.444 1.00 32.14 C ATOM 2276 O LYS A 151 7.927 7.437 -10.991 1.00 43.12 O ATOM 2277 CB LYS A 151 8.843 6.542 -13.928 1.00 70.04 C ATOM 2278 CG LYS A 151 10.356 6.247 -13.776 1.00 74.25 C ATOM 2279 CD LYS A 151 11.217 7.055 -14.775 1.00 54.33 C ATOM 2280 CE LYS A 151 12.729 6.806 -14.607 1.00 21.44 C ATOM 2281 NZ LYS A 151 13.117 5.408 -14.947 1.00 54.34 N ATOM 0 H LYS A 151 6.438 6.992 -13.889 1.00 45.31 H new ATOM 0 HA LYS A 151 7.991 4.820 -12.894 1.00 44.55 H new ATOM 0 HB2 LYS A 151 8.522 6.195 -14.910 1.00 70.04 H new ATOM 0 HB3 LYS A 151 8.700 7.622 -13.910 1.00 70.04 H new ATOM 0 HG2 LYS A 151 10.669 6.481 -12.758 1.00 74.25 H new ATOM 0 HG3 LYS A 151 10.533 5.182 -13.927 1.00 74.25 H new ATOM 0 HD2 LYS A 151 10.923 6.796 -15.792 1.00 54.33 H new ATOM 0 HD3 LYS A 151 11.013 8.118 -14.645 1.00 54.33 H new ATOM 0 HE2 LYS A 151 13.281 7.498 -15.243 1.00 21.44 H new ATOM 0 HE3 LYS A 151 13.017 7.020 -13.578 1.00 21.44 H new ATOM 0 HZ1 LYS A 151 14.142 5.291 -14.818 1.00 54.34 H new ATOM 0 HZ2 LYS A 151 12.612 4.746 -14.324 1.00 54.34 H new ATOM 0 HZ3 LYS A 151 12.868 5.210 -15.937 1.00 54.34 H new ATOM 2295 N THR A 152 9.127 5.554 -10.743 1.00 1.00 N ATOM 2296 CA THR A 152 9.795 5.973 -9.506 1.00 14.01 C ATOM 2297 C THR A 152 11.195 6.498 -9.847 1.00 73.22 C ATOM 2298 O THR A 152 12.042 5.743 -10.335 1.00 12.42 O ATOM 2299 CB THR A 152 9.885 4.800 -8.481 1.00 73.20 C ATOM 2300 OG1 THR A 152 10.346 3.607 -9.141 1.00 25.45 O ATOM 2301 CG2 THR A 152 8.536 4.536 -7.812 1.00 64.41 C ATOM 0 H THR A 152 9.323 4.591 -11.014 1.00 1.00 H new ATOM 0 HA THR A 152 9.208 6.765 -9.040 1.00 14.01 H new ATOM 0 HB THR A 152 10.595 5.086 -7.705 1.00 73.20 H new ATOM 0 HG1 THR A 152 11.081 3.833 -9.749 1.00 25.45 H new ATOM 0 HG21 THR A 152 8.636 3.713 -7.104 1.00 64.41 H new ATOM 0 HG22 THR A 152 8.211 5.432 -7.283 1.00 64.41 H new ATOM 0 HG23 THR A 152 7.798 4.275 -8.571 1.00 64.41 H new ATOM 2309 N SER A 153 11.400 7.809 -9.618 1.00 64.40 N ATOM 2310 CA SER A 153 12.695 8.484 -9.823 1.00 2.04 C ATOM 2311 C SER A 153 13.765 7.902 -8.888 1.00 5.41 C ATOM 2312 O SER A 153 14.951 7.901 -9.214 1.00 15.25 O ATOM 2313 CB SER A 153 12.528 10.005 -9.572 1.00 72.23 C ATOM 2314 OG SER A 153 13.720 10.724 -9.836 1.00 2.43 O ATOM 0 H SER A 153 10.666 8.434 -9.283 1.00 64.40 H new ATOM 0 HA SER A 153 13.021 8.321 -10.850 1.00 2.04 H new ATOM 0 HB2 SER A 153 11.726 10.390 -10.202 1.00 72.23 H new ATOM 0 HB3 SER A 153 12.227 10.170 -8.537 1.00 72.23 H new ATOM 0 HG SER A 153 13.571 11.678 -9.667 1.00 2.43 H new ATOM 2320 N LYS A 154 13.318 7.408 -7.724 1.00 30.30 N ATOM 2321 CA LYS A 154 14.183 6.808 -6.703 1.00 25.24 C ATOM 2322 C LYS A 154 13.705 5.399 -6.357 1.00 15.34 C ATOM 2323 O LYS A 154 12.496 5.129 -6.347 1.00 13.54 O ATOM 2324 CB LYS A 154 14.171 7.689 -5.435 1.00 71.32 C ATOM 2325 CG LYS A 154 14.881 9.049 -5.596 1.00 4.13 C ATOM 2326 CD LYS A 154 16.400 8.882 -5.761 1.00 53.41 C ATOM 2327 CE LYS A 154 17.157 10.209 -5.845 1.00 1.10 C ATOM 2328 NZ LYS A 154 18.623 9.993 -5.700 1.00 11.43 N ATOM 0 H LYS A 154 12.332 7.415 -7.464 1.00 30.30 H new ATOM 0 HA LYS A 154 15.198 6.744 -7.095 1.00 25.24 H new ATOM 0 HB2 LYS A 154 13.137 7.866 -5.140 1.00 71.32 H new ATOM 0 HB3 LYS A 154 14.645 7.140 -4.621 1.00 71.32 H new ATOM 0 HG2 LYS A 154 14.476 9.570 -6.463 1.00 4.13 H new ATOM 0 HG3 LYS A 154 14.676 9.672 -4.725 1.00 4.13 H new ATOM 0 HD2 LYS A 154 16.787 8.305 -4.921 1.00 53.41 H new ATOM 0 HD3 LYS A 154 16.597 8.303 -6.663 1.00 53.41 H new ATOM 0 HE2 LYS A 154 16.949 10.691 -6.800 1.00 1.10 H new ATOM 0 HE3 LYS A 154 16.805 10.883 -5.064 1.00 1.10 H new ATOM 0 HZ1 LYS A 154 19.009 10.678 -5.020 1.00 11.43 H new ATOM 0 HZ2 LYS A 154 18.799 9.027 -5.356 1.00 11.43 H new ATOM 0 HZ3 LYS A 154 19.086 10.122 -6.622 1.00 11.43 H new ATOM 2342 N LYS A 155 14.668 4.506 -6.068 1.00 42.30 N ATOM 2343 CA LYS A 155 14.374 3.163 -5.566 1.00 75.32 C ATOM 2344 C LYS A 155 14.060 3.247 -4.067 1.00 14.32 C ATOM 2345 O LYS A 155 14.959 3.375 -3.223 1.00 5.01 O ATOM 2346 CB LYS A 155 15.546 2.183 -5.837 1.00 14.05 C ATOM 2347 CG LYS A 155 15.321 0.736 -5.308 1.00 21.54 C ATOM 2348 CD LYS A 155 14.051 0.051 -5.869 1.00 65.51 C ATOM 2349 CE LYS A 155 14.025 -0.015 -7.408 1.00 11.30 C ATOM 2350 NZ LYS A 155 15.239 -0.674 -7.970 1.00 15.51 N ATOM 0 H LYS A 155 15.664 4.698 -6.177 1.00 42.30 H new ATOM 0 HA LYS A 155 13.507 2.770 -6.096 1.00 75.32 H new ATOM 0 HB2 LYS A 155 15.723 2.139 -6.912 1.00 14.05 H new ATOM 0 HB3 LYS A 155 16.451 2.585 -5.381 1.00 14.05 H new ATOM 0 HG2 LYS A 155 16.190 0.129 -5.560 1.00 21.54 H new ATOM 0 HG3 LYS A 155 15.256 0.764 -4.220 1.00 21.54 H new ATOM 0 HD2 LYS A 155 13.984 -0.960 -5.467 1.00 65.51 H new ATOM 0 HD3 LYS A 155 13.171 0.591 -5.520 1.00 65.51 H new ATOM 0 HE2 LYS A 155 13.137 -0.559 -7.731 1.00 11.30 H new ATOM 0 HE3 LYS A 155 13.944 0.995 -7.811 1.00 11.30 H new ATOM 0 HZ1 LYS A 155 15.136 -0.770 -9.000 1.00 15.51 H new ATOM 0 HZ2 LYS A 155 16.077 -0.096 -7.758 1.00 15.51 H new ATOM 0 HZ3 LYS A 155 15.351 -1.616 -7.544 1.00 15.51 H new ATOM 2364 N ILE A 156 12.766 3.241 -3.769 1.00 71.12 N ATOM 2365 CA ILE A 156 12.245 3.279 -2.407 1.00 53.43 C ATOM 2366 C ILE A 156 11.869 1.849 -2.000 1.00 61.02 C ATOM 2367 O ILE A 156 11.117 1.194 -2.705 1.00 30.14 O ATOM 2368 CB ILE A 156 11.011 4.239 -2.331 1.00 61.20 C ATOM 2369 CG1 ILE A 156 11.388 5.627 -2.939 1.00 70.15 C ATOM 2370 CG2 ILE A 156 10.498 4.376 -0.876 1.00 72.20 C ATOM 2371 CD1 ILE A 156 10.240 6.593 -3.085 1.00 51.23 C ATOM 0 H ILE A 156 12.036 3.209 -4.480 1.00 71.12 H new ATOM 0 HA ILE A 156 12.997 3.663 -1.718 1.00 53.43 H new ATOM 0 HB ILE A 156 10.196 3.814 -2.916 1.00 61.20 H new ATOM 0 HG12 ILE A 156 12.152 6.086 -2.311 1.00 70.15 H new ATOM 0 HG13 ILE A 156 11.836 5.467 -3.920 1.00 70.15 H new ATOM 0 HG21 ILE A 156 9.641 5.049 -0.854 1.00 72.20 H new ATOM 0 HG22 ILE A 156 10.200 3.397 -0.501 1.00 72.20 H new ATOM 0 HG23 ILE A 156 11.292 4.779 -0.247 1.00 72.20 H new ATOM 0 HD11 ILE A 156 10.603 7.527 -3.515 1.00 51.23 H new ATOM 0 HD12 ILE A 156 9.483 6.162 -3.740 1.00 51.23 H new ATOM 0 HD13 ILE A 156 9.804 6.790 -2.106 1.00 51.23 H new ATOM 2383 N THR A 157 12.444 1.359 -0.900 1.00 41.22 N ATOM 2384 CA THR A 157 12.236 -0.009 -0.399 1.00 75.21 C ATOM 2385 C THR A 157 11.752 0.038 1.057 1.00 53.34 C ATOM 2386 O THR A 157 11.963 1.035 1.759 1.00 71.41 O ATOM 2387 CB THR A 157 13.577 -0.821 -0.479 1.00 4.31 C ATOM 2388 OG1 THR A 157 14.631 -0.077 0.163 1.00 51.34 O ATOM 2389 CG2 THR A 157 13.987 -1.126 -1.932 1.00 4.31 C ATOM 0 H THR A 157 13.079 1.908 -0.320 1.00 41.22 H new ATOM 0 HA THR A 157 11.483 -0.499 -1.016 1.00 75.21 H new ATOM 0 HB THR A 157 13.414 -1.771 0.029 1.00 4.31 H new ATOM 0 HG1 THR A 157 15.467 -0.586 0.114 1.00 51.34 H new ATOM 0 HG21 THR A 157 14.920 -1.689 -1.936 1.00 4.31 H new ATOM 0 HG22 THR A 157 13.206 -1.714 -2.415 1.00 4.31 H new ATOM 0 HG23 THR A 157 14.125 -0.191 -2.475 1.00 4.31 H new ATOM 2397 N ILE A 158 11.075 -1.036 1.497 1.00 13.33 N ATOM 2398 CA ILE A 158 10.756 -1.238 2.915 1.00 31.23 C ATOM 2399 C ILE A 158 11.995 -1.850 3.603 1.00 71.04 C ATOM 2400 O ILE A 158 12.212 -3.068 3.550 1.00 25.45 O ATOM 2401 CB ILE A 158 9.473 -2.136 3.113 1.00 63.53 C ATOM 2402 CG1 ILE A 158 8.229 -1.448 2.456 1.00 72.00 C ATOM 2403 CG2 ILE A 158 9.215 -2.440 4.612 1.00 10.15 C ATOM 2404 CD1 ILE A 158 6.909 -2.194 2.612 1.00 40.34 C ATOM 0 H ILE A 158 10.738 -1.779 0.885 1.00 13.33 H new ATOM 0 HA ILE A 158 10.516 -0.279 3.373 1.00 31.23 H new ATOM 0 HB ILE A 158 9.647 -3.091 2.617 1.00 63.53 H new ATOM 0 HG12 ILE A 158 8.117 -0.453 2.886 1.00 72.00 H new ATOM 0 HG13 ILE A 158 8.428 -1.316 1.393 1.00 72.00 H new ATOM 0 HG21 ILE A 158 8.324 -3.060 4.709 1.00 10.15 H new ATOM 0 HG22 ILE A 158 10.072 -2.968 5.029 1.00 10.15 H new ATOM 0 HG23 ILE A 158 9.067 -1.505 5.153 1.00 10.15 H new ATOM 0 HD11 ILE A 158 6.114 -1.633 2.122 1.00 40.34 H new ATOM 0 HD12 ILE A 158 6.992 -3.180 2.155 1.00 40.34 H new ATOM 0 HD13 ILE A 158 6.676 -2.304 3.671 1.00 40.34 H new ATOM 2416 N ALA A 159 12.829 -0.960 4.180 1.00 25.34 N ATOM 2417 CA ALA A 159 14.098 -1.308 4.853 1.00 55.30 C ATOM 2418 C ALA A 159 13.920 -2.365 5.959 1.00 71.43 C ATOM 2419 O ALA A 159 14.791 -3.224 6.135 1.00 4.22 O ATOM 2420 CB ALA A 159 14.736 -0.040 5.440 1.00 45.44 C ATOM 0 H ALA A 159 12.635 0.041 4.191 1.00 25.34 H new ATOM 0 HA ALA A 159 14.752 -1.746 4.099 1.00 55.30 H new ATOM 0 HB1 ALA A 159 15.671 -0.299 5.936 1.00 45.44 H new ATOM 0 HB2 ALA A 159 14.935 0.672 4.639 1.00 45.44 H new ATOM 0 HB3 ALA A 159 14.055 0.409 6.163 1.00 45.44 H new ATOM 2426 N ASP A 160 12.791 -2.283 6.696 1.00 51.43 N ATOM 2427 CA ASP A 160 12.484 -3.226 7.790 1.00 53.35 C ATOM 2428 C ASP A 160 10.989 -3.180 8.163 1.00 64.33 C ATOM 2429 O ASP A 160 10.296 -2.204 7.884 1.00 51.14 O ATOM 2430 CB ASP A 160 13.390 -2.932 9.028 1.00 10.31 C ATOM 2431 CG ASP A 160 13.290 -3.967 10.169 1.00 22.14 C ATOM 2432 OD1 ASP A 160 13.276 -5.187 9.879 1.00 34.04 O ATOM 2433 OD2 ASP A 160 13.227 -3.572 11.355 1.00 74.15 O ATOM 0 H ASP A 160 12.076 -1.570 6.551 1.00 51.43 H new ATOM 0 HA ASP A 160 12.699 -4.237 7.443 1.00 53.35 H new ATOM 0 HB2 ASP A 160 14.427 -2.878 8.696 1.00 10.31 H new ATOM 0 HB3 ASP A 160 13.131 -1.950 9.424 1.00 10.31 H new ATOM 2438 N CYS A 161 10.518 -4.286 8.748 1.00 62.40 N ATOM 2439 CA CYS A 161 9.170 -4.434 9.329 1.00 20.33 C ATOM 2440 C CYS A 161 9.324 -4.845 10.807 1.00 72.41 C ATOM 2441 O CYS A 161 10.444 -4.850 11.328 1.00 22.21 O ATOM 2442 CB CYS A 161 8.360 -5.465 8.509 1.00 4.11 C ATOM 2443 SG CYS A 161 9.221 -7.022 8.184 1.00 75.02 S ATOM 0 H CYS A 161 11.079 -5.133 8.835 1.00 62.40 H new ATOM 0 HA CYS A 161 8.618 -3.495 9.290 1.00 20.33 H new ATOM 0 HB2 CYS A 161 7.433 -5.683 9.040 1.00 4.11 H new ATOM 0 HB3 CYS A 161 8.083 -5.014 7.556 1.00 4.11 H new ATOM 0 HG CYS A 161 8.360 -7.928 7.826 1.00 75.02 H new ATOM 2449 N GLY A 162 8.226 -5.203 11.498 1.00 14.22 N ATOM 2450 CA GLY A 162 8.278 -5.375 12.962 1.00 3.52 C ATOM 2451 C GLY A 162 7.144 -4.647 13.646 1.00 13.31 C ATOM 2452 O GLY A 162 7.379 -3.751 14.473 1.00 3.11 O ATOM 0 H GLY A 162 7.312 -5.375 11.079 1.00 14.22 H new ATOM 0 HA2 GLY A 162 8.231 -6.436 13.207 1.00 3.52 H new ATOM 0 HA3 GLY A 162 9.231 -5.003 13.339 1.00 3.52 H new ATOM 2456 N GLN A 163 5.912 -5.020 13.244 1.00 32.31 N ATOM 2457 CA GLN A 163 4.661 -4.326 13.589 1.00 23.44 C ATOM 2458 C GLN A 163 4.547 -3.938 15.082 1.00 3.13 C ATOM 2459 O GLN A 163 4.861 -4.729 15.969 1.00 64.35 O ATOM 2460 CB GLN A 163 3.441 -5.198 13.182 1.00 40.20 C ATOM 2461 CG GLN A 163 3.313 -6.559 13.890 1.00 12.51 C ATOM 2462 CD GLN A 163 1.919 -7.172 13.743 1.00 74.21 C ATOM 2463 OE1 GLN A 163 1.647 -7.934 12.827 1.00 23.13 O ATOM 2464 NE2 GLN A 163 1.018 -6.802 14.636 1.00 50.24 N ATOM 0 H GLN A 163 5.759 -5.837 12.653 1.00 32.31 H new ATOM 0 HA GLN A 163 4.671 -3.391 13.028 1.00 23.44 H new ATOM 0 HB2 GLN A 163 2.533 -4.626 13.372 1.00 40.20 H new ATOM 0 HB3 GLN A 163 3.489 -5.374 12.107 1.00 40.20 H new ATOM 0 HG2 GLN A 163 4.053 -7.247 13.482 1.00 12.51 H new ATOM 0 HG3 GLN A 163 3.542 -6.436 14.949 1.00 12.51 H new ATOM 0 HE21 GLN A 163 1.278 -6.164 15.389 1.00 50.24 H new ATOM 0 HE22 GLN A 163 0.063 -7.154 14.573 1.00 50.24 H new ATOM 2473 N LEU A 164 4.153 -2.678 15.329 1.00 70.34 N ATOM 2474 CA LEU A 164 3.990 -2.117 16.680 1.00 12.25 C ATOM 2475 C LEU A 164 2.512 -2.036 17.064 1.00 53.21 C ATOM 2476 O LEU A 164 1.820 -1.127 16.615 1.00 61.42 O ATOM 2477 CB LEU A 164 4.630 -0.708 16.757 1.00 21.00 C ATOM 2478 CG LEU A 164 6.178 -0.647 16.582 1.00 3.35 C ATOM 2479 CD1 LEU A 164 6.686 0.803 16.669 1.00 72.21 C ATOM 2480 CD2 LEU A 164 6.899 -1.558 17.608 1.00 32.20 C ATOM 0 H LEU A 164 3.936 -2.012 14.587 1.00 70.34 H new ATOM 0 HA LEU A 164 4.495 -2.779 17.383 1.00 12.25 H new ATOM 0 HB2 LEU A 164 4.173 -0.081 15.991 1.00 21.00 H new ATOM 0 HB3 LEU A 164 4.376 -0.268 17.722 1.00 21.00 H new ATOM 0 HG LEU A 164 6.415 -1.025 15.587 1.00 3.35 H new ATOM 0 HD11 LEU A 164 7.769 0.817 16.544 1.00 72.21 H new ATOM 0 HD12 LEU A 164 6.222 1.399 15.883 1.00 72.21 H new ATOM 0 HD13 LEU A 164 6.428 1.221 17.642 1.00 72.21 H new ATOM 0 HD21 LEU A 164 7.977 -1.492 17.459 1.00 32.20 H new ATOM 0 HD22 LEU A 164 6.652 -1.234 18.619 1.00 32.20 H new ATOM 0 HD23 LEU A 164 6.576 -2.590 17.469 1.00 32.20 H new ATOM 2540 N PRO B 218 -2.089 -3.521 -12.941 1.00 51.41 N ATOM 2541 CA PRO B 218 -2.609 -3.682 -11.560 1.00 63.14 C ATOM 2542 C PRO B 218 -2.199 -2.483 -10.676 1.00 4.35 C ATOM 2543 O PRO B 218 -1.105 -2.472 -10.097 1.00 14.21 O ATOM 2544 CB PRO B 218 -1.984 -5.024 -11.058 1.00 24.12 C ATOM 2545 CG PRO B 218 -1.337 -5.644 -12.269 1.00 70.04 C ATOM 2546 CD PRO B 218 -1.015 -4.504 -13.215 1.00 41.44 C ATOM 0 HA PRO B 218 -3.698 -3.710 -11.520 1.00 63.14 H new ATOM 0 HB2 PRO B 218 -1.252 -4.846 -10.270 1.00 24.12 H new ATOM 0 HB3 PRO B 218 -2.747 -5.681 -10.641 1.00 24.12 H new ATOM 0 HG2 PRO B 218 -0.432 -6.185 -11.991 1.00 70.04 H new ATOM 0 HG3 PRO B 218 -2.006 -6.363 -12.741 1.00 70.04 H new ATOM 0 HD2 PRO B 218 -0.027 -4.086 -13.020 1.00 41.44 H new ATOM 0 HD3 PRO B 218 -1.023 -4.830 -14.255 1.00 41.44 H new ATOM 2554 N GLY B 219 -3.060 -1.459 -10.640 1.00 72.30 N ATOM 2555 CA GLY B 219 -2.809 -0.261 -9.852 1.00 4.33 C ATOM 2556 C GLY B 219 -3.751 0.887 -10.225 1.00 25.22 C ATOM 2557 O GLY B 219 -4.054 1.063 -11.406 1.00 14.11 O ATOM 0 H GLY B 219 -3.941 -1.443 -11.154 1.00 72.30 H new ATOM 0 HA2 GLY B 219 -2.925 -0.494 -8.794 1.00 4.33 H new ATOM 0 HA3 GLY B 219 -1.777 0.057 -9.997 1.00 4.33 H new ATOM 2561 N PRO B 220 -4.225 1.696 -9.224 1.00 14.20 N ATOM 2562 CA PRO B 220 -5.122 2.874 -9.454 1.00 43.52 C ATOM 2563 C PRO B 220 -4.516 3.984 -10.348 1.00 71.41 C ATOM 2564 O PRO B 220 -3.297 4.094 -10.485 1.00 1.20 O ATOM 2565 CB PRO B 220 -5.366 3.404 -8.023 1.00 72.12 C ATOM 2566 CG PRO B 220 -5.120 2.231 -7.134 1.00 63.41 C ATOM 2567 CD PRO B 220 -3.968 1.497 -7.772 1.00 72.34 C ATOM 0 HA PRO B 220 -6.020 2.579 -9.996 1.00 43.52 H new ATOM 0 HB2 PRO B 220 -4.693 4.228 -7.786 1.00 72.12 H new ATOM 0 HB3 PRO B 220 -6.383 3.780 -7.909 1.00 72.12 H new ATOM 0 HG2 PRO B 220 -4.874 2.548 -6.120 1.00 63.41 H new ATOM 0 HG3 PRO B 220 -6.003 1.596 -7.064 1.00 63.41 H new ATOM 0 HD2 PRO B 220 -3.006 1.910 -7.470 1.00 72.34 H new ATOM 0 HD3 PRO B 220 -3.960 0.441 -7.502 1.00 72.34 H new ATOM 2575 N TYR B 221 -5.395 4.834 -10.918 1.00 61.31 N ATOM 2576 CA TYR B 221 -5.008 5.891 -11.885 1.00 31.55 C ATOM 2577 C TYR B 221 -5.566 7.251 -11.453 1.00 61.33 C ATOM 2578 O TYR B 221 -6.627 7.313 -10.815 1.00 53.13 O ATOM 2579 CB TYR B 221 -5.546 5.554 -13.298 1.00 24.20 C ATOM 2580 CG TYR B 221 -5.211 4.141 -13.766 1.00 21.25 C ATOM 2581 CD1 TYR B 221 -3.956 3.831 -14.288 1.00 70.24 C ATOM 2582 CD2 TYR B 221 -6.149 3.110 -13.658 1.00 13.21 C ATOM 2583 CE1 TYR B 221 -3.655 2.548 -14.687 1.00 54.14 C ATOM 2584 CE2 TYR B 221 -5.846 1.829 -14.049 1.00 42.14 C ATOM 2585 CZ TYR B 221 -4.603 1.557 -14.562 1.00 4.54 C ATOM 2586 OH TYR B 221 -4.296 0.279 -14.933 1.00 4.42 O ATOM 0 H TYR B 221 -6.396 4.809 -10.723 1.00 61.31 H new ATOM 0 HA TYR B 221 -3.919 5.938 -11.909 1.00 31.55 H new ATOM 0 HB2 TYR B 221 -6.629 5.681 -13.304 1.00 24.20 H new ATOM 0 HB3 TYR B 221 -5.137 6.269 -14.012 1.00 24.20 H new ATOM 0 HD1 TYR B 221 -3.211 4.607 -14.381 1.00 70.24 H new ATOM 0 HD2 TYR B 221 -7.130 3.325 -13.260 1.00 13.21 H new ATOM 0 HE1 TYR B 221 -2.681 2.320 -15.095 1.00 54.14 H new ATOM 0 HE2 TYR B 221 -6.580 1.042 -13.954 1.00 42.14 H new ATOM 0 HH TYR B 221 -5.071 -0.301 -14.782 1.00 4.42 H new