USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 8 SER OG : rot 133:sc= 0.887 USER MOD Set 1.2: A 106 THR OG1 : rot -129:sc= 1.78 USER MOD Set 2.1: A 31 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.3) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0629 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -140:sc= 0.00171 USER MOD Single : A 13 MET CE :methyl -110:sc= -2.99 (180deg=-8.44!) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.0238 (180deg=-0.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.41! K(o=-3.4!,f=-0.34) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0204 (180deg=-0.184) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 133:sc= -0.0318 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 52 SER OG : rot 170:sc=0.000394 USER MOD Single : A 56 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.0084) USER MOD Single : A 59 THR OG1 : rot 176:sc= 1.54 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 37:sc= 1.25 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0.00598 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 86:sc= 1.5 USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.422 (180deg=-1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -154:sc= 0.151 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.0037) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.8) USER MOD Single : A 100 SER OG : rot -36:sc= 0.139 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -158:sc= -0.222 (180deg=-1.5) USER MOD Single : A 112 SER OG : rot 140:sc= 0.813 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -83:sc= 0.00237 USER MOD Single : A 119 MET CE :methyl -131:sc= -1.97! (180deg=-2.95!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.14) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.875 2.614 4.821 1.00 74.13 N ATOM 2 CA GLY A 1 -0.687 2.325 6.230 1.00 34.14 C ATOM 3 C GLY A 1 0.617 2.878 6.767 1.00 1.51 C ATOM 4 O GLY A 1 1.435 3.426 6.027 1.00 72.31 O ATOM 0 H1 GLY A 1 -1.732 3.190 4.696 1.00 74.13 H new ATOM 0 H2 GLY A 1 -0.051 3.137 4.461 1.00 74.13 H new ATOM 0 H3 GLY A 1 -0.977 1.723 4.294 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -1.517 2.745 6.798 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -0.710 1.246 6.382 1.00 34.14 H new ATOM 8 N PRO A 2 0.826 2.740 8.084 1.00 21.03 N ATOM 9 CA PRO A 2 2.039 3.225 8.749 1.00 2.31 C ATOM 10 C PRO A 2 3.273 2.414 8.368 1.00 61.30 C ATOM 11 O PRO A 2 4.313 2.972 8.015 1.00 14.21 O ATOM 12 CB PRO A 2 1.723 3.051 10.236 1.00 23.42 C ATOM 13 CG PRO A 2 0.710 1.960 10.283 1.00 33.11 C ATOM 14 CD PRO A 2 -0.105 2.097 9.027 1.00 34.03 C ATOM 0 HA PRO A 2 2.275 4.251 8.467 1.00 2.31 H new ATOM 0 HB2 PRO A 2 2.616 2.787 10.802 1.00 23.42 H new ATOM 0 HB3 PRO A 2 1.333 3.972 10.668 1.00 23.42 H new ATOM 0 HG2 PRO A 2 1.191 0.983 10.332 1.00 33.11 H new ATOM 0 HG3 PRO A 2 0.081 2.050 11.168 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -0.443 1.128 8.660 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -0.995 2.705 9.190 1.00 34.03 H new ATOM 22 N THR A 3 3.152 1.092 8.442 1.00 23.42 N ATOM 23 CA THR A 3 4.258 0.203 8.106 1.00 41.32 C ATOM 24 C THR A 3 4.033 -0.467 6.755 1.00 20.13 C ATOM 25 O THR A 3 4.982 -0.883 6.092 1.00 54.11 O ATOM 26 CB THR A 3 4.452 -0.883 9.180 1.00 33.42 C ATOM 27 OG1 THR A 3 3.179 -1.386 9.604 1.00 11.12 O ATOM 28 CG2 THR A 3 5.209 -0.332 10.378 1.00 11.31 C ATOM 0 H THR A 3 2.299 0.613 8.732 1.00 23.42 H new ATOM 0 HA THR A 3 5.156 0.819 8.058 1.00 41.32 H new ATOM 0 HB THR A 3 5.036 -1.693 8.743 1.00 33.42 H new ATOM 0 HG1 THR A 3 3.311 -2.077 10.286 1.00 11.12 H new ATOM 0 HG21 THR A 3 5.333 -1.118 11.123 1.00 11.31 H new ATOM 0 HG22 THR A 3 6.189 0.023 10.058 1.00 11.31 H new ATOM 0 HG23 THR A 3 4.648 0.495 10.814 1.00 11.31 H new ATOM 36 N GLY A 4 2.769 -0.569 6.353 1.00 1.33 N ATOM 37 CA GLY A 4 2.443 -1.190 5.082 1.00 1.34 C ATOM 38 C GLY A 4 1.708 -2.505 5.251 1.00 45.41 C ATOM 39 O GLY A 4 1.007 -2.711 6.243 1.00 60.11 O ATOM 0 H GLY A 4 1.966 -0.233 6.884 1.00 1.33 H new ATOM 0 HA2 GLY A 4 1.829 -0.507 4.494 1.00 1.34 H new ATOM 0 HA3 GLY A 4 3.360 -1.360 4.518 1.00 1.34 H new ATOM 43 N THR A 5 1.867 -3.399 4.279 1.00 12.54 N ATOM 44 CA THR A 5 1.211 -4.699 4.324 1.00 74.23 C ATOM 45 C THR A 5 2.218 -5.830 4.154 1.00 64.14 C ATOM 46 O THR A 5 1.877 -6.915 3.686 1.00 14.45 O ATOM 47 CB THR A 5 0.131 -4.820 3.232 1.00 71.41 C ATOM 48 OG1 THR A 5 0.747 -4.969 1.947 1.00 32.23 O ATOM 49 CG2 THR A 5 -0.774 -3.599 3.228 1.00 53.45 C ATOM 0 H THR A 5 2.444 -3.246 3.452 1.00 12.54 H new ATOM 0 HA THR A 5 0.739 -4.781 5.303 1.00 74.23 H new ATOM 0 HB THR A 5 -0.475 -5.700 3.448 1.00 71.41 H new ATOM 0 HG1 THR A 5 0.054 -5.047 1.259 1.00 32.23 H new ATOM 0 HG21 THR A 5 -1.528 -3.708 2.449 1.00 53.45 H new ATOM 0 HG22 THR A 5 -1.264 -3.506 4.197 1.00 53.45 H new ATOM 0 HG23 THR A 5 -0.179 -2.706 3.035 1.00 53.45 H new ATOM 57 N GLY A 6 3.465 -5.568 4.536 1.00 24.13 N ATOM 58 CA GLY A 6 4.504 -6.574 4.418 1.00 71.40 C ATOM 59 C GLY A 6 5.590 -6.411 5.463 1.00 43.52 C ATOM 60 O GLY A 6 6.241 -5.368 5.532 1.00 52.21 O ATOM 0 H GLY A 6 3.774 -4.677 4.925 1.00 24.13 H new ATOM 0 HA2 GLY A 6 4.059 -7.564 4.512 1.00 71.40 H new ATOM 0 HA3 GLY A 6 4.949 -6.518 3.424 1.00 71.40 H new ATOM 64 N GLU A 7 5.787 -7.442 6.277 1.00 62.41 N ATOM 65 CA GLU A 7 6.801 -7.406 7.325 1.00 61.05 C ATOM 66 C GLU A 7 8.049 -8.175 6.901 1.00 62.33 C ATOM 67 O GLU A 7 8.041 -8.887 5.896 1.00 20.21 O ATOM 68 CB GLU A 7 6.245 -7.992 8.624 1.00 41.31 C ATOM 69 CG GLU A 7 6.036 -9.496 8.573 1.00 34.13 C ATOM 70 CD GLU A 7 7.277 -10.271 8.969 1.00 31.31 C ATOM 71 OE1 GLU A 7 7.699 -10.161 10.139 1.00 50.32 O ATOM 72 OE2 GLU A 7 7.827 -10.990 8.107 1.00 35.02 O1- ATOM 0 H GLU A 7 5.258 -8.313 6.232 1.00 62.41 H new ATOM 0 HA GLU A 7 7.076 -6.365 7.493 1.00 61.05 H new ATOM 0 HB2 GLU A 7 6.927 -7.756 9.440 1.00 41.31 H new ATOM 0 HB3 GLU A 7 5.295 -7.509 8.853 1.00 41.31 H new ATOM 0 HG2 GLU A 7 5.215 -9.768 9.237 1.00 34.13 H new ATOM 0 HG3 GLU A 7 5.739 -9.784 7.565 1.00 34.13 H new ATOM 79 N SER A 8 9.120 -8.025 7.672 1.00 11.13 N ATOM 80 CA SER A 8 10.378 -8.701 7.375 1.00 73.41 C ATOM 81 C SER A 8 11.391 -8.481 8.494 1.00 2.22 C ATOM 82 O SER A 8 11.477 -7.393 9.064 1.00 44.50 O ATOM 83 CB SER A 8 10.949 -8.199 6.048 1.00 62.10 C ATOM 84 OG SER A 8 11.979 -9.054 5.580 1.00 14.33 O ATOM 0 H SER A 8 9.143 -7.441 8.508 1.00 11.13 H new ATOM 0 HA SER A 8 10.178 -9.770 7.296 1.00 73.41 H new ATOM 0 HB2 SER A 8 10.154 -8.142 5.305 1.00 62.10 H new ATOM 0 HB3 SER A 8 11.340 -7.189 6.175 1.00 62.10 H new ATOM 0 HG SER A 8 11.836 -9.249 4.630 1.00 14.33 H new ATOM 90 N LYS A 9 12.156 -9.522 8.804 1.00 44.32 N ATOM 91 CA LYS A 9 13.165 -9.444 9.854 1.00 23.33 C ATOM 92 C LYS A 9 14.566 -9.615 9.275 1.00 33.34 C ATOM 93 O LYS A 9 15.345 -8.662 9.216 1.00 14.24 O ATOM 94 CB LYS A 9 12.907 -10.514 10.918 1.00 44.14 C ATOM 95 CG LYS A 9 11.521 -10.436 11.535 1.00 44.04 C ATOM 96 CD LYS A 9 11.515 -9.574 12.785 1.00 2.52 C ATOM 97 CE LYS A 9 11.469 -8.093 12.442 1.00 53.35 C ATOM 98 NZ LYS A 9 10.879 -7.285 13.545 1.00 32.34 N1+ ATOM 0 H LYS A 9 12.097 -10.430 8.343 1.00 44.32 H new ATOM 0 HA LYS A 9 13.099 -8.459 10.315 1.00 23.33 H new ATOM 0 HB2 LYS A 9 13.042 -11.499 10.471 1.00 44.14 H new ATOM 0 HB3 LYS A 9 13.653 -10.417 11.707 1.00 44.14 H new ATOM 0 HG2 LYS A 9 10.820 -10.028 10.807 1.00 44.04 H new ATOM 0 HG3 LYS A 9 11.175 -11.440 11.782 1.00 44.04 H new ATOM 0 HD2 LYS A 9 10.654 -9.832 13.402 1.00 2.52 H new ATOM 0 HD3 LYS A 9 12.406 -9.784 13.377 1.00 2.52 H new ATOM 0 HE2 LYS A 9 12.478 -7.738 12.231 1.00 53.35 H new ATOM 0 HE3 LYS A 9 10.884 -7.949 11.534 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 10.866 -6.282 13.272 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 9.907 -7.606 13.729 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 11.451 -7.402 14.405 1.00 32.34 H new ATOM 112 N CYS A 10 14.881 -10.833 8.849 1.00 72.52 N ATOM 113 CA CYS A 10 16.188 -11.128 8.274 1.00 50.34 C ATOM 114 C CYS A 10 16.512 -10.165 7.137 1.00 44.02 C ATOM 115 O CYS A 10 15.631 -9.522 6.565 1.00 44.02 O ATOM 116 CB CYS A 10 16.231 -12.569 7.765 1.00 33.40 C ATOM 117 SG CYS A 10 16.776 -13.772 8.999 1.00 22.45 S ATOM 0 H CYS A 10 14.249 -11.632 8.891 1.00 72.52 H new ATOM 0 HA CYS A 10 16.937 -11.004 9.056 1.00 50.34 H new ATOM 0 HB2 CYS A 10 15.238 -12.849 7.414 1.00 33.40 H new ATOM 0 HB3 CYS A 10 16.898 -12.619 6.905 1.00 33.40 H new ATOM 0 HG CYS A 10 17.554 -14.649 8.436 1.00 22.45 H new ATOM 123 N PRO A 11 17.806 -10.059 6.801 1.00 41.21 N ATOM 124 CA PRO A 11 18.277 -9.174 5.730 1.00 32.44 C ATOM 125 C PRO A 11 17.858 -9.664 4.349 1.00 33.11 C ATOM 126 O PRO A 11 17.805 -8.888 3.394 1.00 40.40 O ATOM 127 CB PRO A 11 19.800 -9.222 5.876 1.00 52.53 C ATOM 128 CG PRO A 11 20.078 -10.531 6.531 1.00 50.33 C ATOM 129 CD PRO A 11 18.910 -10.794 7.441 1.00 12.12 C ATOM 0 HA PRO A 11 17.859 -8.171 5.815 1.00 32.44 H new ATOM 0 HB2 PRO A 11 20.293 -9.152 4.906 1.00 52.53 H new ATOM 0 HB3 PRO A 11 20.166 -8.392 6.480 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.182 -11.324 5.790 1.00 50.33 H new ATOM 0 HG3 PRO A 11 21.011 -10.496 7.093 1.00 50.33 H new ATOM 0 HD2 PRO A 11 18.692 -11.859 7.518 1.00 12.12 H new ATOM 0 HD3 PRO A 11 19.099 -10.434 8.452 1.00 12.12 H new ATOM 137 N LEU A 12 17.559 -10.954 4.248 1.00 24.44 N ATOM 138 CA LEU A 12 17.144 -11.548 2.982 1.00 13.33 C ATOM 139 C LEU A 12 15.885 -12.389 3.162 1.00 62.23 C ATOM 140 O LEU A 12 15.849 -13.301 3.988 1.00 61.54 O ATOM 141 CB LEU A 12 18.269 -12.409 2.406 1.00 1.41 C ATOM 142 CG LEU A 12 18.377 -12.440 0.881 1.00 23.13 C ATOM 143 CD1 LEU A 12 19.457 -13.417 0.443 1.00 43.24 C ATOM 144 CD2 LEU A 12 17.038 -12.810 0.259 1.00 3.34 C ATOM 0 H LEU A 12 17.596 -11.610 5.029 1.00 24.44 H new ATOM 0 HA LEU A 12 16.922 -10.739 2.286 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.216 -12.052 2.810 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.136 -13.431 2.762 1.00 1.41 H new ATOM 0 HG LEU A 12 18.653 -11.444 0.535 1.00 23.13 H new ATOM 0 HD11 LEU A 12 19.520 -13.426 -0.645 1.00 43.24 H new ATOM 0 HD12 LEU A 12 20.416 -13.110 0.859 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.210 -14.417 0.800 1.00 43.24 H new ATOM 0 HD21 LEU A 12 17.133 -12.827 -0.827 1.00 3.34 H new ATOM 0 HD22 LEU A 12 16.733 -13.795 0.612 1.00 3.34 H new ATOM 0 HD23 LEU A 12 16.288 -12.073 0.546 1.00 3.34 H new ATOM 156 N MET A 13 14.854 -12.078 2.383 1.00 42.14 N ATOM 157 CA MET A 13 13.595 -12.808 2.454 1.00 33.41 C ATOM 158 C MET A 13 13.075 -13.133 1.058 1.00 40.04 C ATOM 159 O MET A 13 12.779 -12.235 0.270 1.00 53.03 O ATOM 160 CB MET A 13 12.552 -11.994 3.223 1.00 72.22 C ATOM 161 CG MET A 13 11.462 -12.845 3.855 1.00 31.44 C ATOM 162 SD MET A 13 9.975 -11.900 4.234 1.00 1.33 S ATOM 163 CE MET A 13 8.744 -12.823 3.317 1.00 15.23 C ATOM 0 H MET A 13 14.866 -11.325 1.695 1.00 42.14 H new ATOM 0 HA MET A 13 13.776 -13.744 2.982 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.053 -11.422 4.004 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.093 -11.274 2.545 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.207 -13.661 3.180 1.00 31.44 H new ATOM 0 HG3 MET A 13 11.844 -13.296 4.771 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.403 -12.230 2.468 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.181 -13.754 2.957 1.00 15.23 H new ATOM 0 HE3 MET A 13 7.898 -13.047 3.967 1.00 15.23 H new ATOM 173 N VAL A 14 12.966 -14.424 0.756 1.00 0.34 N ATOM 174 CA VAL A 14 12.481 -14.867 -0.545 1.00 54.11 C ATOM 175 C VAL A 14 11.024 -15.308 -0.467 1.00 75.31 C ATOM 176 O VAL A 14 10.696 -16.297 0.190 1.00 44.51 O ATOM 177 CB VAL A 14 13.329 -16.029 -1.093 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.921 -16.360 -2.521 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.811 -15.690 -1.018 1.00 54.20 C ATOM 0 H VAL A 14 13.207 -15.181 1.396 1.00 0.34 H new ATOM 0 HA VAL A 14 12.564 -14.016 -1.221 1.00 54.11 H new ATOM 0 HB VAL A 14 13.150 -16.909 -0.475 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.531 -17.184 -2.892 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.870 -16.649 -2.542 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.069 -15.485 -3.154 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.395 -16.523 -1.410 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.010 -14.797 -1.610 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.090 -15.507 0.020 1.00 54.20 H new ATOM 189 N LYS A 15 10.150 -14.569 -1.143 1.00 45.14 N ATOM 190 CA LYS A 15 8.728 -14.883 -1.154 1.00 34.42 C ATOM 191 C LYS A 15 8.332 -15.575 -2.455 1.00 3.44 C ATOM 192 O LYS A 15 8.379 -14.973 -3.528 1.00 33.44 O ATOM 193 CB LYS A 15 7.901 -13.608 -0.971 1.00 23.14 C ATOM 194 CG LYS A 15 6.450 -13.871 -0.605 1.00 20.51 C ATOM 195 CD LYS A 15 6.248 -13.883 0.901 1.00 21.44 C ATOM 196 CE LYS A 15 5.938 -12.492 1.434 1.00 61.00 C ATOM 197 NZ LYS A 15 4.571 -12.044 1.051 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.404 -13.747 -1.691 1.00 45.14 H new ATOM 0 HA LYS A 15 8.526 -15.562 -0.326 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.358 -12.997 -0.193 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.935 -13.028 -1.893 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.817 -13.105 -1.052 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.136 -14.828 -1.023 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.433 -14.561 1.154 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.145 -14.268 1.386 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.030 -12.490 2.520 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.673 -11.784 1.051 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.273 -11.267 1.675 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.578 -11.713 0.065 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 3.906 -12.838 1.145 1.00 31.20 H new ATOM 211 N VAL A 16 7.941 -16.841 -2.351 1.00 43.13 N ATOM 212 CA VAL A 16 7.536 -17.614 -3.520 1.00 14.13 C ATOM 213 C VAL A 16 6.021 -17.775 -3.572 1.00 22.53 C ATOM 214 O VAL A 16 5.448 -18.598 -2.855 1.00 43.30 O ATOM 215 CB VAL A 16 8.190 -19.007 -3.526 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.814 -19.768 -4.789 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.701 -18.887 -3.397 1.00 0.34 C ATOM 0 H VAL A 16 7.896 -17.353 -1.470 1.00 43.13 H new ATOM 0 HA VAL A 16 7.871 -17.061 -4.398 1.00 14.13 H new ATOM 0 HB VAL A 16 7.818 -19.567 -2.668 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.286 -20.751 -4.776 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.731 -19.886 -4.834 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.155 -19.214 -5.663 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.147 -19.882 -3.403 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.093 -18.309 -4.234 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.948 -18.385 -2.462 1.00 0.34 H new ATOM 227 N LEU A 17 5.376 -16.987 -4.425 1.00 52.23 N ATOM 228 CA LEU A 17 3.926 -17.043 -4.572 1.00 52.32 C ATOM 229 C LEU A 17 3.538 -17.584 -5.945 1.00 63.31 C ATOM 230 O LEU A 17 4.322 -17.520 -6.891 1.00 71.44 O ATOM 231 CB LEU A 17 3.319 -15.654 -4.369 1.00 44.04 C ATOM 232 CG LEU A 17 2.559 -15.438 -3.059 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.406 -14.648 -2.075 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.239 -14.728 -3.320 1.00 53.44 C ATOM 0 H LEU A 17 5.834 -16.302 -5.025 1.00 52.23 H new ATOM 0 HA LEU A 17 3.535 -17.719 -3.812 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.120 -14.917 -4.426 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.640 -15.452 -5.197 1.00 44.04 H new ATOM 0 HG LEU A 17 2.344 -16.412 -2.620 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.849 -14.504 -1.149 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.325 -15.195 -1.864 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.653 -13.677 -2.505 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.711 -14.583 -2.377 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.432 -13.759 -3.781 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.627 -15.333 -3.989 1.00 53.44 H new ATOM 246 N ASP A 18 2.324 -18.113 -6.044 1.00 52.03 N ATOM 247 CA ASP A 18 1.830 -18.663 -7.303 1.00 1.53 C ATOM 248 C ASP A 18 0.946 -17.652 -8.027 1.00 31.30 C ATOM 249 O ASP A 18 0.068 -17.037 -7.423 1.00 2.31 O ATOM 250 CB ASP A 18 1.050 -19.952 -7.049 1.00 21.40 C ATOM 251 CG ASP A 18 0.974 -20.835 -8.279 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.194 -20.318 -9.394 1.00 53.44 O ATOM 253 OD2 ASP A 18 0.695 -22.042 -8.128 1.00 31.41 O1- ATOM 0 H ASP A 18 1.663 -18.173 -5.269 1.00 52.03 H new ATOM 0 HA ASP A 18 2.689 -18.887 -7.936 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.522 -20.505 -6.237 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.041 -19.704 -6.721 1.00 21.40 H new ATOM 258 N ALA A 19 1.185 -17.486 -9.323 1.00 54.11 N ATOM 259 CA ALA A 19 0.409 -16.552 -10.130 1.00 4.04 C ATOM 260 C ALA A 19 -0.857 -17.209 -10.665 1.00 72.45 C ATOM 261 O ALA A 19 -1.818 -16.528 -11.024 1.00 54.10 O ATOM 262 CB ALA A 19 1.254 -16.016 -11.276 1.00 64.31 C ATOM 0 H ALA A 19 1.910 -17.986 -9.837 1.00 54.11 H new ATOM 0 HA ALA A 19 0.112 -15.719 -9.492 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.662 -15.320 -11.870 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.126 -15.500 -10.875 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.580 -16.844 -11.906 1.00 64.31 H new ATOM 268 N VAL A 20 -0.853 -18.538 -10.718 1.00 1.32 N ATOM 269 CA VAL A 20 -2.003 -19.287 -11.210 1.00 4.11 C ATOM 270 C VAL A 20 -2.996 -19.567 -10.089 1.00 34.21 C ATOM 271 O VAL A 20 -4.204 -19.641 -10.320 1.00 24.34 O ATOM 272 CB VAL A 20 -1.572 -20.622 -11.845 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.789 -21.458 -12.211 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.699 -20.374 -13.067 1.00 1.33 C ATOM 0 H VAL A 20 -0.066 -19.117 -10.426 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.482 -18.670 -11.970 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.985 -21.178 -11.114 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.464 -22.397 -12.658 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.371 -21.666 -11.313 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.405 -20.911 -12.924 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.404 -21.328 -13.503 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.259 -19.797 -13.803 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.191 -19.819 -12.771 1.00 1.33 H new ATOM 284 N ARG A 21 -2.481 -19.723 -8.874 1.00 70.43 N ATOM 285 CA ARG A 21 -3.323 -19.997 -7.715 1.00 40.24 C ATOM 286 C ARG A 21 -3.468 -18.753 -6.843 1.00 25.13 C ATOM 287 O ARG A 21 -4.409 -18.638 -6.059 1.00 25.45 O ATOM 288 CB ARG A 21 -2.738 -21.146 -6.892 1.00 54.04 C ATOM 289 CG ARG A 21 -2.304 -22.336 -7.733 1.00 23.13 C ATOM 290 CD ARG A 21 -1.688 -23.429 -6.872 1.00 70.24 C ATOM 291 NE ARG A 21 -2.650 -24.479 -6.551 1.00 32.25 N ATOM 292 CZ ARG A 21 -3.449 -24.445 -5.490 1.00 13.33 C ATOM 293 NH1 ARG A 21 -3.402 -23.416 -4.653 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -4.299 -25.439 -5.264 1.00 42.11 N ATOM 0 H ARG A 21 -1.484 -19.664 -8.666 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.311 -20.285 -8.075 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.881 -20.778 -6.328 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.480 -21.476 -6.165 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -3.163 -22.736 -8.271 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.582 -22.010 -8.482 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.836 -23.865 -7.394 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -1.307 -22.992 -5.949 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.712 -25.283 -7.176 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -2.752 -22.649 -4.824 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -4.016 -23.392 -3.839 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -4.340 -26.231 -5.905 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.911 -25.411 -4.449 1.00 42.11 H new ATOM 308 N GLY A 22 -2.525 -17.825 -6.983 1.00 14.01 N ATOM 309 CA GLY A 22 -2.565 -16.603 -6.201 1.00 71.33 C ATOM 310 C GLY A 22 -2.259 -16.843 -4.736 1.00 55.30 C ATOM 311 O GLY A 22 -2.612 -16.031 -3.881 1.00 35.44 O ATOM 0 H GLY A 22 -1.735 -17.898 -7.624 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.846 -15.891 -6.607 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.551 -16.148 -6.293 1.00 71.33 H new ATOM 315 N SER A 23 -1.603 -17.962 -4.445 1.00 52.31 N ATOM 316 CA SER A 23 -1.255 -18.308 -3.072 1.00 31.20 C ATOM 317 C SER A 23 0.214 -18.708 -2.969 1.00 73.43 C ATOM 318 O SER A 23 0.853 -19.080 -3.953 1.00 43.22 O ATOM 319 CB SER A 23 -2.142 -19.450 -2.571 1.00 51.44 C ATOM 320 OG SER A 23 -3.319 -18.950 -1.959 1.00 24.23 O ATOM 0 H SER A 23 -1.302 -18.644 -5.141 1.00 52.31 H new ATOM 0 HA SER A 23 -1.420 -17.429 -2.449 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.409 -20.100 -3.404 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.588 -20.059 -1.857 1.00 51.44 H new ATOM 0 HG SER A 23 -3.870 -19.699 -1.649 1.00 24.23 H new ATOM 326 N PRO A 24 0.763 -18.632 -1.747 1.00 13.40 N ATOM 327 CA PRO A 24 2.162 -18.982 -1.485 1.00 34.35 C ATOM 328 C PRO A 24 2.419 -20.480 -1.613 1.00 53.53 C ATOM 329 O PRO A 24 1.633 -21.297 -1.133 1.00 40.42 O ATOM 330 CB PRO A 24 2.376 -18.525 -0.039 1.00 12.41 C ATOM 331 CG PRO A 24 1.018 -18.555 0.573 1.00 62.31 C ATOM 332 CD PRO A 24 0.059 -18.198 -0.528 1.00 53.31 C ATOM 0 HA PRO A 24 2.840 -18.515 -2.200 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.062 -19.188 0.488 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.806 -17.524 0.000 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.795 -19.541 0.980 1.00 62.31 H new ATOM 0 HG3 PRO A 24 0.946 -17.846 1.398 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.896 -18.711 -0.411 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.153 -17.129 -0.545 1.00 53.31 H new ATOM 340 N ALA A 25 3.523 -20.832 -2.262 1.00 24.51 N ATOM 341 CA ALA A 25 3.884 -22.232 -2.452 1.00 10.44 C ATOM 342 C ALA A 25 4.568 -22.794 -1.211 1.00 33.45 C ATOM 343 O ALA A 25 5.241 -22.068 -0.478 1.00 43.13 O ATOM 344 CB ALA A 25 4.785 -22.384 -3.668 1.00 61.41 C ATOM 0 H ALA A 25 4.183 -20.168 -2.665 1.00 24.51 H new ATOM 0 HA ALA A 25 2.968 -22.799 -2.619 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.047 -23.434 -3.798 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.262 -22.028 -4.555 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.693 -21.799 -3.523 1.00 61.41 H new ATOM 350 N ILE A 26 4.391 -24.091 -0.979 1.00 22.35 N ATOM 351 CA ILE A 26 4.992 -24.750 0.174 1.00 34.21 C ATOM 352 C ILE A 26 6.132 -25.670 -0.251 1.00 14.43 C ATOM 353 O ILE A 26 6.059 -26.324 -1.290 1.00 25.11 O ATOM 354 CB ILE A 26 3.950 -25.570 0.959 1.00 4.42 C ATOM 355 CG1 ILE A 26 2.966 -24.639 1.670 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.642 -26.483 1.961 1.00 54.14 C ATOM 357 CD1 ILE A 26 1.924 -25.371 2.485 1.00 11.52 C ATOM 0 H ILE A 26 3.836 -24.706 -1.574 1.00 22.35 H new ATOM 0 HA ILE A 26 5.385 -23.964 0.819 1.00 34.21 H new ATOM 0 HB ILE A 26 3.392 -26.189 0.257 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.522 -23.968 2.324 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.465 -24.018 0.928 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.894 -27.056 2.508 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.307 -27.166 1.432 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.222 -25.882 2.661 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.261 -24.649 2.961 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.343 -26.022 1.832 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.416 -25.971 3.251 1.00 11.52 H new ATOM 369 N ASN A 27 7.182 -25.716 0.562 1.00 12.42 N ATOM 370 CA ASN A 27 8.337 -26.556 0.271 1.00 73.32 C ATOM 371 C ASN A 27 8.959 -26.182 -1.071 1.00 13.34 C ATOM 372 O ASN A 27 9.216 -27.044 -1.911 1.00 65.22 O ATOM 373 CB ASN A 27 7.931 -28.031 0.263 1.00 73.52 C ATOM 374 CG ASN A 27 7.796 -28.601 1.662 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.126 -29.762 1.907 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.306 -27.785 2.588 1.00 31.42 N ATOM 0 H ASN A 27 7.257 -25.181 1.427 1.00 12.42 H new ATOM 0 HA ASN A 27 9.079 -26.393 1.053 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.983 -28.141 -0.264 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.673 -28.606 -0.291 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.190 -28.113 3.547 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.046 -26.830 2.340 1.00 31.42 H new ATOM 383 N VAL A 28 9.199 -24.889 -1.265 1.00 10.34 N ATOM 384 CA VAL A 28 9.792 -24.399 -2.504 1.00 3.15 C ATOM 385 C VAL A 28 11.315 -24.412 -2.426 1.00 50.12 C ATOM 386 O VAL A 28 11.926 -23.503 -1.866 1.00 52.30 O ATOM 387 CB VAL A 28 9.318 -22.969 -2.826 1.00 72.20 C ATOM 388 CG1 VAL A 28 9.968 -22.467 -4.106 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.802 -22.924 -2.936 1.00 33.20 C ATOM 0 H VAL A 28 8.992 -24.162 -0.580 1.00 10.34 H new ATOM 0 HA VAL A 28 9.465 -25.070 -3.299 1.00 3.15 H new ATOM 0 HB VAL A 28 9.621 -22.312 -2.011 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.621 -21.455 -4.318 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.051 -22.462 -3.986 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.698 -23.124 -4.933 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.484 -21.907 -3.164 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.475 -23.593 -3.732 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.359 -23.240 -1.991 1.00 33.20 H new ATOM 399 N ALA A 29 11.921 -25.449 -2.994 1.00 21.11 N ATOM 400 CA ALA A 29 13.374 -25.581 -2.992 1.00 13.43 C ATOM 401 C ALA A 29 14.038 -24.337 -3.574 1.00 73.30 C ATOM 402 O ALA A 29 13.964 -24.088 -4.777 1.00 24.22 O ATOM 403 CB ALA A 29 13.793 -26.819 -3.770 1.00 1.22 C ATOM 0 H ALA A 29 11.429 -26.210 -3.462 1.00 21.11 H new ATOM 0 HA ALA A 29 13.704 -25.687 -1.958 1.00 13.43 H new ATOM 0 HB1 ALA A 29 14.880 -26.905 -3.760 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.355 -27.704 -3.309 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.445 -26.737 -4.800 1.00 1.22 H new ATOM 409 N VAL A 30 14.685 -23.559 -2.712 1.00 52.51 N ATOM 410 CA VAL A 30 15.362 -22.341 -3.141 1.00 62.05 C ATOM 411 C VAL A 30 16.843 -22.381 -2.784 1.00 64.44 C ATOM 412 O VAL A 30 17.225 -22.886 -1.727 1.00 3.33 O ATOM 413 CB VAL A 30 14.726 -21.091 -2.506 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.381 -19.827 -3.041 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.225 -21.071 -2.756 1.00 50.55 C ATOM 0 H VAL A 30 14.755 -23.751 -1.713 1.00 52.51 H new ATOM 0 HA VAL A 30 15.253 -22.284 -4.224 1.00 62.05 H new ATOM 0 HB VAL A 30 14.891 -21.129 -1.429 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.918 -18.954 -2.580 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.445 -19.840 -2.805 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.250 -19.779 -4.122 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.792 -20.181 -2.300 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.035 -21.058 -3.829 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.771 -21.960 -2.318 1.00 50.55 H new ATOM 425 N HIS A 31 17.675 -21.847 -3.673 1.00 4.33 N ATOM 426 CA HIS A 31 19.117 -21.820 -3.451 1.00 20.44 C ATOM 427 C HIS A 31 19.682 -20.428 -3.717 1.00 70.41 C ATOM 428 O HIS A 31 19.167 -19.688 -4.555 1.00 62.13 O ATOM 429 CB HIS A 31 19.811 -22.846 -4.346 1.00 42.03 C ATOM 430 CG HIS A 31 19.064 -24.139 -4.468 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.863 -24.780 -5.672 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.469 -24.909 -3.528 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.175 -25.890 -5.467 1.00 63.14 C ATOM 434 NE2 HIS A 31 17.923 -25.991 -4.175 1.00 23.04 N ATOM 0 H HIS A 31 17.376 -21.427 -4.553 1.00 4.33 H new ATOM 0 HA HIS A 31 19.304 -22.074 -2.408 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.944 -22.418 -5.340 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.806 -23.047 -3.950 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.430 -24.710 -2.467 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.871 -26.594 -6.227 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.407 -26.749 -3.729 1.00 23.04 H new ATOM 442 N VAL A 32 20.744 -20.078 -2.998 1.00 33.14 N ATOM 443 CA VAL A 32 21.380 -18.776 -3.157 1.00 13.25 C ATOM 444 C VAL A 32 22.889 -18.917 -3.317 1.00 62.02 C ATOM 445 O VAL A 32 23.561 -19.510 -2.474 1.00 63.22 O ATOM 446 CB VAL A 32 21.086 -17.858 -1.956 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.505 -16.428 -2.261 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.612 -17.921 -1.585 1.00 30.45 C ATOM 0 H VAL A 32 21.182 -20.679 -2.299 1.00 33.14 H new ATOM 0 HA VAL A 32 20.963 -18.328 -4.059 1.00 13.25 H new ATOM 0 HB VAL A 32 21.668 -18.208 -1.103 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.289 -15.794 -1.401 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.574 -16.400 -2.474 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.953 -16.064 -3.127 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.423 -17.266 -0.734 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.009 -17.597 -2.433 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.347 -18.945 -1.321 1.00 30.45 H new ATOM 458 N PHE A 33 23.417 -18.368 -4.406 1.00 14.51 N ATOM 459 CA PHE A 33 24.848 -18.432 -4.679 1.00 10.33 C ATOM 460 C PHE A 33 25.445 -17.032 -4.782 1.00 51.44 C ATOM 461 O PHE A 33 24.731 -16.056 -5.012 1.00 61.13 O ATOM 462 CB PHE A 33 25.108 -19.207 -5.972 1.00 54.22 C ATOM 463 CG PHE A 33 24.680 -20.645 -5.906 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.338 -20.985 -5.959 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.620 -21.656 -5.789 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.941 -22.308 -5.898 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.229 -22.981 -5.729 1.00 51.24 C ATOM 468 CZ PHE A 33 23.889 -23.307 -5.782 1.00 15.51 C ATOM 0 H PHE A 33 22.875 -17.873 -5.114 1.00 14.51 H new ATOM 0 HA PHE A 33 25.328 -18.952 -3.850 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.582 -18.717 -6.792 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.172 -19.163 -6.205 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.594 -20.208 -6.049 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.670 -21.406 -5.744 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.892 -22.560 -5.941 1.00 31.23 H new ATOM 0 HE2 PHE A 33 25.972 -23.760 -5.641 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.582 -24.341 -5.733 1.00 15.51 H new ATOM 478 N ARG A 34 26.760 -16.941 -4.610 1.00 32.15 N ATOM 479 CA ARG A 34 27.454 -15.662 -4.682 1.00 13.44 C ATOM 480 C ARG A 34 28.473 -15.659 -5.818 1.00 21.02 C ATOM 481 O ARG A 34 29.078 -16.686 -6.127 1.00 3.34 O ATOM 482 CB ARG A 34 28.153 -15.361 -3.355 1.00 72.25 C ATOM 483 CG ARG A 34 28.980 -14.087 -3.378 1.00 3.34 C ATOM 484 CD ARG A 34 29.812 -13.939 -2.112 1.00 53.42 C ATOM 485 NE ARG A 34 30.914 -12.997 -2.289 1.00 31.04 N ATOM 486 CZ ARG A 34 30.747 -11.684 -2.410 1.00 34.30 C ATOM 487 NH1 ARG A 34 29.528 -11.163 -2.375 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 31.799 -10.892 -2.567 1.00 2.43 N ATOM 0 H ARG A 34 27.366 -17.739 -4.420 1.00 32.15 H new ATOM 0 HA ARG A 34 26.714 -14.887 -4.879 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.403 -15.283 -2.568 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.800 -16.199 -3.096 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.637 -14.094 -4.248 1.00 3.34 H new ATOM 0 HG3 ARG A 34 28.320 -13.226 -3.484 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.173 -13.601 -1.296 1.00 53.42 H new ATOM 0 HD3 ARG A 34 30.210 -14.912 -1.823 1.00 53.42 H new ATOM 0 HE ARG A 34 31.864 -13.367 -2.322 1.00 31.04 H new ATOM 0 HH11 ARG A 34 28.717 -11.770 -2.255 1.00 44.53 H new ATOM 0 HH12 ARG A 34 29.401 -10.155 -2.468 1.00 44.53 H new ATOM 0 HH21 ARG A 34 32.738 -11.290 -2.595 1.00 2.43 H new ATOM 0 HH22 ARG A 34 31.670 -9.885 -2.660 1.00 2.43 H new ATOM 502 N LYS A 35 28.658 -14.498 -6.437 1.00 54.20 N ATOM 503 CA LYS A 35 29.603 -14.360 -7.539 1.00 73.31 C ATOM 504 C LYS A 35 31.040 -14.455 -7.037 1.00 71.34 C ATOM 505 O LYS A 35 31.481 -13.637 -6.231 1.00 63.22 O ATOM 506 CB LYS A 35 29.389 -13.025 -8.257 1.00 24.12 C ATOM 507 CG LYS A 35 30.520 -12.656 -9.202 1.00 14.42 C ATOM 508 CD LYS A 35 30.681 -13.685 -10.308 1.00 34.13 C ATOM 509 CE LYS A 35 29.544 -13.603 -11.315 1.00 42.22 C ATOM 510 NZ LYS A 35 29.611 -12.356 -12.126 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.166 -13.638 -6.194 1.00 54.20 H new ATOM 0 HA LYS A 35 29.427 -15.175 -8.241 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.456 -13.070 -8.819 1.00 24.12 H new ATOM 0 HB3 LYS A 35 29.275 -12.236 -7.514 1.00 24.12 H new ATOM 0 HG2 LYS A 35 30.324 -11.677 -9.640 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.451 -12.574 -8.642 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.632 -13.528 -10.817 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.713 -14.685 -9.875 1.00 34.13 H new ATOM 0 HE2 LYS A 35 29.581 -14.469 -11.976 1.00 42.22 H new ATOM 0 HE3 LYS A 35 28.590 -13.644 -10.790 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.990 -12.448 -12.956 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.300 -11.549 -11.548 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.590 -12.199 -12.441 1.00 53.31 H new ATOM 524 N ALA A 36 31.766 -15.458 -7.521 1.00 33.44 N ATOM 525 CA ALA A 36 33.154 -15.659 -7.124 1.00 70.02 C ATOM 526 C ALA A 36 34.092 -14.782 -7.947 1.00 20.11 C ATOM 527 O ALA A 36 33.647 -13.981 -8.769 1.00 35.22 O ATOM 528 CB ALA A 36 33.537 -17.124 -7.267 1.00 3.22 C ATOM 0 H ALA A 36 31.415 -16.144 -8.189 1.00 33.44 H new ATOM 0 HA ALA A 36 33.253 -15.370 -6.078 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.576 -17.259 -6.967 1.00 3.22 H new ATOM 0 HB2 ALA A 36 32.894 -17.732 -6.631 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.416 -17.432 -8.306 1.00 3.22 H new ATOM 534 N ALA A 37 35.391 -14.937 -7.719 1.00 24.23 N ATOM 535 CA ALA A 37 36.392 -14.161 -8.440 1.00 41.33 C ATOM 536 C ALA A 37 36.673 -14.766 -9.811 1.00 62.24 C ATOM 537 O ALA A 37 37.370 -14.170 -10.633 1.00 15.13 O ATOM 538 CB ALA A 37 37.675 -14.069 -7.629 1.00 20.34 C ATOM 0 H ALA A 37 35.776 -15.594 -7.040 1.00 24.23 H new ATOM 0 HA ALA A 37 35.997 -13.156 -8.589 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.413 -13.487 -8.180 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.469 -13.583 -6.675 1.00 20.34 H new ATOM 0 HB3 ALA A 37 38.064 -15.071 -7.449 1.00 20.34 H new ATOM 544 N ASP A 38 36.128 -15.953 -10.052 1.00 62.14 N ATOM 545 CA ASP A 38 36.320 -16.639 -11.325 1.00 4.12 C ATOM 546 C ASP A 38 35.057 -16.566 -12.178 1.00 0.42 C ATOM 547 O ASP A 38 34.788 -17.456 -12.984 1.00 23.13 O ATOM 548 CB ASP A 38 36.706 -18.100 -11.087 1.00 0.10 C ATOM 549 CG ASP A 38 37.755 -18.588 -12.066 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.731 -17.847 -12.309 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.601 -19.712 -12.589 1.00 5.41 O ATOM 0 H ASP A 38 35.550 -16.461 -9.383 1.00 62.14 H new ATOM 0 HA ASP A 38 37.127 -16.140 -11.861 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.082 -18.212 -10.070 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.817 -18.726 -11.169 1.00 0.10 H new ATOM 556 N ASP A 39 34.286 -15.500 -11.993 1.00 22.23 N ATOM 557 CA ASP A 39 33.052 -15.310 -12.746 1.00 13.11 C ATOM 558 C ASP A 39 32.108 -16.492 -12.550 1.00 31.25 C ATOM 559 O ASP A 39 31.267 -16.778 -13.402 1.00 44.13 O ATOM 560 CB ASP A 39 33.359 -15.127 -14.233 1.00 2.13 C ATOM 561 CG ASP A 39 34.057 -13.813 -14.523 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.418 -12.753 -14.354 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.240 -13.843 -14.920 1.00 22.43 O ATOM 0 H ASP A 39 34.494 -14.755 -11.328 1.00 22.23 H new ATOM 0 HA ASP A 39 32.562 -14.411 -12.371 1.00 13.11 H new ATOM 0 HB2 ASP A 39 33.985 -15.951 -14.576 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.430 -15.175 -14.801 1.00 2.13 H new ATOM 568 N THR A 40 32.254 -17.178 -11.420 1.00 30.11 N ATOM 569 CA THR A 40 31.417 -18.331 -11.113 1.00 25.33 C ATOM 570 C THR A 40 30.456 -18.024 -9.971 1.00 51.15 C ATOM 571 O THR A 40 30.426 -16.906 -9.456 1.00 63.30 O ATOM 572 CB THR A 40 32.268 -19.558 -10.736 1.00 62.55 C ATOM 573 OG1 THR A 40 33.017 -19.289 -9.545 1.00 73.04 O ATOM 574 CG2 THR A 40 33.218 -19.926 -11.867 1.00 33.22 C ATOM 0 H THR A 40 32.944 -16.955 -10.703 1.00 30.11 H new ATOM 0 HA THR A 40 30.846 -18.556 -12.014 1.00 25.33 H new ATOM 0 HB THR A 40 31.596 -20.398 -10.559 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.554 -20.075 -9.312 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.809 -20.795 -11.578 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.643 -20.160 -12.763 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.883 -19.087 -12.071 1.00 33.22 H new ATOM 582 N TRP A 41 29.671 -19.022 -9.580 1.00 51.02 N ATOM 583 CA TRP A 41 28.708 -18.857 -8.497 1.00 63.44 C ATOM 584 C TRP A 41 28.939 -19.892 -7.401 1.00 42.43 C ATOM 585 O TRP A 41 28.762 -21.089 -7.618 1.00 72.23 O ATOM 586 CB TRP A 41 27.281 -18.976 -9.034 1.00 61.33 C ATOM 587 CG TRP A 41 26.970 -17.988 -10.118 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.917 -18.235 -11.460 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.670 -16.598 -9.950 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.604 -17.081 -12.138 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.446 -16.063 -11.234 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.568 -15.755 -8.842 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.128 -14.723 -11.436 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.252 -14.424 -9.044 1.00 23.02 C ATOM 595 CH2 TRP A 41 26.033 -13.919 -10.333 1.00 4.00 C ATOM 0 H TRP A 41 29.682 -19.953 -9.996 1.00 51.02 H new ATOM 0 HA TRP A 41 28.847 -17.864 -8.069 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.127 -19.985 -9.417 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.578 -18.836 -8.212 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.095 -19.195 -11.921 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.505 -16.996 -13.150 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.733 -16.136 -7.845 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.962 -14.332 -12.429 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 26.173 -13.762 -8.194 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.785 -12.875 -10.458 1.00 4.00 H new ATOM 606 N GLU A 42 29.338 -19.420 -6.223 1.00 14.31 N ATOM 607 CA GLU A 42 29.593 -20.306 -5.094 1.00 22.31 C ATOM 608 C GLU A 42 28.355 -20.433 -4.211 1.00 30.22 C ATOM 609 O GLU A 42 27.469 -19.578 -4.213 1.00 23.11 O ATOM 610 CB GLU A 42 30.771 -19.787 -4.267 1.00 42.11 C ATOM 611 CG GLU A 42 32.127 -20.211 -4.805 1.00 72.32 C ATOM 612 CD GLU A 42 33.171 -20.351 -3.715 1.00 0.20 C ATOM 613 OE1 GLU A 42 32.993 -19.739 -2.641 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 34.166 -21.072 -3.936 1.00 22.45 O ATOM 0 H GLU A 42 29.491 -18.431 -6.027 1.00 14.31 H new ATOM 0 HA GLU A 42 29.840 -21.292 -5.487 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.728 -18.698 -4.232 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.669 -20.143 -3.242 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.025 -21.162 -5.329 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.468 -19.479 -5.537 1.00 72.32 H new ATOM 621 N PRO A 43 28.291 -21.528 -3.437 1.00 55.32 N ATOM 622 CA PRO A 43 27.167 -21.794 -2.535 1.00 0.45 C ATOM 623 C PRO A 43 27.134 -20.834 -1.350 1.00 61.23 C ATOM 624 O PRO A 43 28.075 -20.781 -0.556 1.00 55.41 O ATOM 625 CB PRO A 43 27.427 -23.224 -2.057 1.00 61.34 C ATOM 626 CG PRO A 43 28.899 -23.408 -2.191 1.00 40.42 C ATOM 627 CD PRO A 43 29.311 -22.588 -3.383 1.00 75.22 C ATOM 0 HA PRO A 43 26.206 -21.664 -3.032 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.103 -23.361 -1.025 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.881 -23.949 -2.661 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.417 -23.077 -1.291 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.150 -24.459 -2.335 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.313 -22.176 -3.260 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.321 -23.183 -4.296 1.00 75.22 H new ATOM 635 N PHE A 44 26.047 -20.079 -1.236 1.00 1.12 N ATOM 636 CA PHE A 44 25.893 -19.120 -0.147 1.00 62.35 C ATOM 637 C PHE A 44 24.883 -19.622 0.880 1.00 72.22 C ATOM 638 O PHE A 44 25.191 -19.736 2.066 1.00 41.04 O ATOM 639 CB PHE A 44 25.450 -17.762 -0.695 1.00 22.21 C ATOM 640 CG PHE A 44 25.349 -16.696 0.359 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.488 -16.200 0.973 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.115 -16.189 0.734 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.397 -15.220 1.942 1.00 13.33 C ATOM 644 CE2 PHE A 44 24.018 -15.207 1.702 1.00 23.30 C ATOM 645 CZ PHE A 44 25.161 -14.722 2.306 1.00 2.44 C ATOM 0 H PHE A 44 25.260 -20.112 -1.884 1.00 1.12 H new ATOM 0 HA PHE A 44 26.859 -19.007 0.345 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.156 -17.440 -1.460 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.481 -17.874 -1.182 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.457 -16.584 0.691 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.218 -16.566 0.264 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.292 -14.843 2.415 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.050 -14.820 1.985 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.089 -13.954 3.062 1.00 2.44 H new ATOM 655 N ALA A 45 23.674 -19.919 0.415 1.00 74.54 N ATOM 656 CA ALA A 45 22.618 -20.410 1.292 1.00 71.13 C ATOM 657 C ALA A 45 21.579 -21.206 0.508 1.00 63.11 C ATOM 658 O ALA A 45 21.651 -21.302 -0.717 1.00 0.42 O ATOM 659 CB ALA A 45 21.956 -19.250 2.021 1.00 14.12 C ATOM 0 H ALA A 45 23.402 -19.828 -0.564 1.00 74.54 H new ATOM 0 HA ALA A 45 23.070 -21.076 2.026 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.169 -19.631 2.672 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.700 -18.724 2.620 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.524 -18.563 1.294 1.00 14.12 H new ATOM 665 N SER A 46 20.614 -21.775 1.223 1.00 60.52 N ATOM 666 CA SER A 46 19.564 -22.568 0.595 1.00 52.32 C ATOM 667 C SER A 46 18.480 -22.933 1.605 1.00 40.50 C ATOM 668 O SER A 46 18.746 -23.056 2.800 1.00 65.02 O ATOM 669 CB SER A 46 20.152 -23.839 -0.020 1.00 70.12 C ATOM 670 OG SER A 46 19.234 -24.916 0.057 1.00 13.53 O ATOM 0 H SER A 46 20.538 -21.702 2.237 1.00 60.52 H new ATOM 0 HA SER A 46 19.113 -21.966 -0.194 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.414 -23.655 -1.062 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.073 -24.105 0.498 1.00 70.12 H new ATOM 0 HG SER A 46 19.634 -25.716 -0.344 1.00 13.53 H new ATOM 676 N GLY A 47 17.256 -23.103 1.115 1.00 11.14 N ATOM 677 CA GLY A 47 16.150 -23.452 1.988 1.00 1.53 C ATOM 678 C GLY A 47 14.837 -23.576 1.239 1.00 63.12 C ATOM 679 O GLY A 47 14.783 -23.369 0.027 1.00 62.23 O ATOM 0 H GLY A 47 17.010 -23.005 0.130 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.370 -24.395 2.489 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.051 -22.694 2.765 1.00 1.53 H new ATOM 683 N LYS A 48 13.776 -23.917 1.962 1.00 51.41 N ATOM 684 CA LYS A 48 12.457 -24.070 1.359 1.00 3.33 C ATOM 685 C LYS A 48 11.451 -23.123 2.004 1.00 14.54 C ATOM 686 O LYS A 48 11.663 -22.638 3.117 1.00 53.10 O ATOM 687 CB LYS A 48 11.975 -25.516 1.500 1.00 54.50 C ATOM 688 CG LYS A 48 12.849 -26.522 0.772 1.00 35.21 C ATOM 689 CD LYS A 48 12.433 -27.950 1.083 1.00 13.00 C ATOM 690 CE LYS A 48 13.457 -28.953 0.573 1.00 55.05 C ATOM 691 NZ LYS A 48 13.237 -30.309 1.147 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.803 -24.093 2.966 1.00 51.41 H new ATOM 0 HA LYS A 48 12.537 -23.821 0.301 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.939 -25.777 2.558 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.956 -25.589 1.119 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.786 -26.350 -0.302 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.890 -26.375 1.058 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.311 -28.068 2.160 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.464 -28.155 0.628 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.404 -29.006 -0.514 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.460 -28.609 0.827 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.954 -30.964 0.775 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 13.313 -30.264 2.183 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.290 -30.648 0.884 1.00 60.34 H new ATOM 705 N THR A 49 10.355 -22.861 1.300 1.00 35.43 N ATOM 706 CA THR A 49 9.315 -21.973 1.805 1.00 51.31 C ATOM 707 C THR A 49 8.255 -22.748 2.578 1.00 3.20 C ATOM 708 O THR A 49 8.271 -23.979 2.607 1.00 55.41 O ATOM 709 CB THR A 49 8.635 -21.197 0.660 1.00 40.10 C ATOM 710 OG1 THR A 49 7.883 -22.096 -0.162 1.00 34.44 O ATOM 711 CG2 THR A 49 9.668 -20.470 -0.189 1.00 72.54 C ATOM 0 H THR A 49 10.164 -23.251 0.377 1.00 35.43 H new ATOM 0 HA THR A 49 9.803 -21.265 2.475 1.00 51.31 H new ATOM 0 HB THR A 49 7.964 -20.459 1.099 1.00 40.10 H new ATOM 0 HG1 THR A 49 6.991 -21.724 -0.323 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.165 -19.929 -0.991 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.220 -19.765 0.433 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.360 -21.194 -0.619 1.00 72.54 H new ATOM 719 N SER A 50 7.335 -22.021 3.202 1.00 13.14 N ATOM 720 CA SER A 50 6.267 -22.642 3.979 1.00 23.01 C ATOM 721 C SER A 50 4.899 -22.191 3.478 1.00 61.40 C ATOM 722 O SER A 50 4.780 -21.620 2.395 1.00 4.13 O ATOM 723 CB SER A 50 6.420 -22.296 5.461 1.00 14.25 C ATOM 724 OG SER A 50 6.164 -20.922 5.694 1.00 22.21 O ATOM 0 H SER A 50 7.307 -21.002 3.185 1.00 13.14 H new ATOM 0 HA SER A 50 6.341 -23.722 3.856 1.00 23.01 H new ATOM 0 HB2 SER A 50 5.733 -22.902 6.052 1.00 14.25 H new ATOM 0 HB3 SER A 50 7.429 -22.542 5.793 1.00 14.25 H new ATOM 0 HG SER A 50 6.267 -20.727 6.649 1.00 22.21 H new ATOM 730 N GLU A 51 3.868 -22.454 4.276 1.00 40.23 N ATOM 731 CA GLU A 51 2.507 -22.076 3.913 1.00 60.32 C ATOM 732 C GLU A 51 2.401 -20.571 3.689 1.00 42.55 C ATOM 733 O GLU A 51 1.466 -20.092 3.048 1.00 73.13 O ATOM 734 CB GLU A 51 1.526 -22.510 5.005 1.00 71.34 C ATOM 735 CG GLU A 51 2.001 -22.193 6.412 1.00 5.20 C ATOM 736 CD GLU A 51 0.935 -21.517 7.250 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.751 -20.291 7.099 1.00 51.42 O1- ATOM 738 OE2 GLU A 51 0.284 -22.212 8.057 1.00 12.23 O ATOM 0 H GLU A 51 3.949 -22.926 5.176 1.00 40.23 H new ATOM 0 HA GLU A 51 2.253 -22.583 2.982 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.567 -22.020 4.836 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.355 -23.583 4.922 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.312 -23.115 6.902 1.00 5.20 H new ATOM 0 HG3 GLU A 51 2.878 -21.548 6.358 1.00 5.20 H new ATOM 745 N SER A 52 3.368 -19.830 4.221 1.00 0.31 N ATOM 746 CA SER A 52 3.382 -18.378 4.083 1.00 24.21 C ATOM 747 C SER A 52 4.153 -17.958 2.835 1.00 24.50 C ATOM 748 O SER A 52 4.025 -16.830 2.362 1.00 12.24 O ATOM 749 CB SER A 52 4.005 -17.733 5.322 1.00 63.01 C ATOM 750 OG SER A 52 3.727 -16.345 5.369 1.00 15.33 O ATOM 0 H SER A 52 4.152 -20.211 4.751 1.00 0.31 H new ATOM 0 HA SER A 52 2.351 -18.037 3.984 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.618 -18.215 6.220 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.083 -17.891 5.315 1.00 63.01 H new ATOM 0 HG SER A 52 3.994 -15.987 6.242 1.00 15.33 H new ATOM 756 N GLY A 53 4.954 -18.878 2.305 1.00 45.14 N ATOM 757 CA GLY A 53 5.735 -18.586 1.117 1.00 60.22 C ATOM 758 C GLY A 53 7.006 -17.822 1.431 1.00 74.10 C ATOM 759 O GLY A 53 7.796 -17.525 0.536 1.00 12.51 O ATOM 0 H GLY A 53 5.076 -19.820 2.677 1.00 45.14 H new ATOM 0 HA2 GLY A 53 5.991 -19.520 0.616 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.129 -18.006 0.421 1.00 60.22 H new ATOM 763 N GLU A 54 7.202 -17.503 2.707 1.00 43.33 N ATOM 764 CA GLU A 54 8.386 -16.766 3.135 1.00 51.21 C ATOM 765 C GLU A 54 9.483 -17.720 3.597 1.00 32.34 C ATOM 766 O GLU A 54 9.210 -18.728 4.254 1.00 45.34 O ATOM 767 CB GLU A 54 8.029 -15.797 4.264 1.00 52.21 C ATOM 768 CG GLU A 54 7.646 -16.488 5.562 1.00 3.13 C ATOM 769 CD GLU A 54 6.763 -15.627 6.443 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.728 -14.397 6.229 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 6.105 -16.184 7.347 1.00 3.21 O ATOM 0 H GLU A 54 6.558 -17.743 3.461 1.00 43.33 H new ATOM 0 HA GLU A 54 8.758 -16.198 2.282 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.879 -15.140 4.449 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.202 -15.165 3.941 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.128 -17.419 5.334 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.551 -16.753 6.109 1.00 3.13 H new ATOM 778 N LEU A 55 10.724 -17.399 3.250 1.00 2.41 N ATOM 779 CA LEU A 55 11.864 -18.226 3.628 1.00 22.44 C ATOM 780 C LEU A 55 12.986 -17.374 4.213 1.00 75.42 C ATOM 781 O LEU A 55 13.688 -16.671 3.486 1.00 42.00 O ATOM 782 CB LEU A 55 12.378 -19.006 2.416 1.00 1.43 C ATOM 783 CG LEU A 55 13.753 -19.655 2.571 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.804 -20.504 3.831 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.087 -20.495 1.345 1.00 12.22 C ATOM 0 H LEU A 55 10.967 -16.571 2.707 1.00 2.41 H new ATOM 0 HA LEU A 55 11.533 -18.930 4.391 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.655 -19.786 2.178 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.411 -18.330 1.561 1.00 1.43 H new ATOM 0 HG LEU A 55 14.499 -18.865 2.660 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.791 -20.958 3.924 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.610 -19.876 4.701 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.048 -21.287 3.773 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.069 -20.950 1.472 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.338 -21.277 1.225 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.093 -19.860 0.459 1.00 12.22 H new ATOM 797 N HIS A 56 13.151 -17.445 5.530 1.00 62.22 N ATOM 798 CA HIS A 56 14.190 -16.682 6.212 1.00 52.21 C ATOM 799 C HIS A 56 15.133 -17.609 6.973 1.00 65.14 C ATOM 800 O HIS A 56 14.891 -18.810 7.075 1.00 61.43 O ATOM 801 CB HIS A 56 13.562 -15.673 7.175 1.00 44.24 C ATOM 802 CG HIS A 56 12.467 -16.250 8.017 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.622 -16.543 9.356 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.193 -16.586 7.705 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.492 -17.037 9.830 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.610 -17.073 8.848 1.00 75.35 N ATOM 0 H HIS A 56 12.579 -18.023 6.146 1.00 62.22 H new ATOM 0 HA HIS A 56 14.766 -16.145 5.458 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.339 -15.274 7.827 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.165 -14.835 6.602 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.723 -16.489 6.737 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.319 -17.357 10.847 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.650 -17.409 8.926 1.00 75.35 H new ATOM 814 N GLY A 57 16.213 -17.042 7.504 1.00 54.50 N ATOM 815 CA GLY A 57 17.177 -17.831 8.247 1.00 51.11 C ATOM 816 C GLY A 57 18.154 -18.554 7.342 1.00 44.14 C ATOM 817 O GLY A 57 18.580 -19.671 7.640 1.00 3.50 O ATOM 0 H GLY A 57 16.437 -16.049 7.432 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.728 -17.180 8.926 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.649 -18.559 8.862 1.00 51.11 H new ATOM 821 N LEU A 58 18.511 -17.918 6.231 1.00 1.11 N ATOM 822 CA LEU A 58 19.445 -18.508 5.278 1.00 53.45 C ATOM 823 C LEU A 58 20.887 -18.291 5.723 1.00 62.15 C ATOM 824 O LEU A 58 21.639 -19.247 5.917 1.00 35.35 O ATOM 825 CB LEU A 58 19.232 -17.906 3.888 1.00 64.24 C ATOM 826 CG LEU A 58 18.210 -18.615 2.997 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.054 -17.882 1.675 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.621 -20.061 2.763 1.00 62.04 C ATOM 0 H LEU A 58 18.168 -16.994 5.968 1.00 1.11 H new ATOM 0 HA LEU A 58 19.255 -19.581 5.237 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.921 -16.868 4.008 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.190 -17.894 3.369 1.00 64.24 H new ATOM 0 HG LEU A 58 17.246 -18.610 3.506 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.323 -18.401 1.055 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.713 -16.864 1.862 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.014 -17.855 1.159 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.883 -20.551 2.127 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.595 -20.088 2.275 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.679 -20.582 3.719 1.00 62.04 H new ATOM 840 N THR A 59 21.269 -17.028 5.884 1.00 11.10 N ATOM 841 CA THR A 59 22.621 -16.686 6.307 1.00 32.02 C ATOM 842 C THR A 59 22.602 -15.623 7.400 1.00 65.34 C ATOM 843 O THR A 59 21.538 -15.188 7.839 1.00 12.31 O ATOM 844 CB THR A 59 23.467 -16.176 5.126 1.00 50.44 C ATOM 845 OG1 THR A 59 22.720 -15.222 4.363 1.00 55.13 O ATOM 846 CG2 THR A 59 23.893 -17.328 4.228 1.00 44.44 C ATOM 0 H THR A 59 20.660 -16.225 5.728 1.00 11.10 H new ATOM 0 HA THR A 59 23.070 -17.599 6.699 1.00 32.02 H new ATOM 0 HB THR A 59 24.361 -15.699 5.528 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.287 -14.854 3.654 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.489 -16.943 3.401 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.487 -18.038 4.804 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.008 -17.829 3.835 1.00 44.44 H new ATOM 854 N THR A 60 23.788 -15.210 7.837 1.00 54.44 N ATOM 855 CA THR A 60 23.908 -14.198 8.878 1.00 13.13 C ATOM 856 C THR A 60 24.420 -12.880 8.309 1.00 21.15 C ATOM 857 O THR A 60 24.793 -12.803 7.139 1.00 14.52 O ATOM 858 CB THR A 60 24.852 -14.660 10.004 1.00 25.41 C ATOM 859 OG1 THR A 60 26.111 -15.063 9.453 1.00 64.13 O ATOM 860 CG2 THR A 60 24.242 -15.816 10.783 1.00 52.01 C ATOM 0 H THR A 60 24.679 -15.561 7.486 1.00 54.44 H new ATOM 0 HA THR A 60 22.910 -14.048 9.289 1.00 13.13 H new ATOM 0 HB THR A 60 25.004 -13.823 10.686 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.706 -15.354 10.175 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.927 -16.124 11.573 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.298 -15.498 11.226 1.00 52.01 H new ATOM 0 HG23 THR A 60 24.063 -16.654 10.110 1.00 52.01 H new ATOM 868 N GLU A 61 24.437 -11.846 9.146 1.00 22.20 N ATOM 869 CA GLU A 61 24.905 -10.531 8.724 1.00 34.44 C ATOM 870 C GLU A 61 26.425 -10.513 8.584 1.00 75.15 C ATOM 871 O GLU A 61 26.975 -9.752 7.789 1.00 20.20 O ATOM 872 CB GLU A 61 24.462 -9.462 9.726 1.00 63.34 C ATOM 873 CG GLU A 61 24.436 -8.059 9.145 1.00 15.31 C ATOM 874 CD GLU A 61 23.541 -7.119 9.931 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.370 -7.481 10.174 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.011 -6.024 10.302 1.00 53.10 O1- ATOM 0 H GLU A 61 24.133 -11.894 10.118 1.00 22.20 H new ATOM 0 HA GLU A 61 24.465 -10.312 7.751 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.467 -9.712 10.096 1.00 63.34 H new ATOM 0 HB3 GLU A 61 25.134 -9.479 10.584 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.450 -7.659 9.126 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.092 -8.104 8.112 1.00 15.31 H new ATOM 883 N GLU A 62 27.095 -11.358 9.362 1.00 42.53 N ATOM 884 CA GLU A 62 28.550 -11.438 9.325 1.00 43.33 C ATOM 885 C GLU A 62 29.023 -12.183 8.080 1.00 65.32 C ATOM 886 O GLU A 62 30.134 -11.967 7.600 1.00 62.24 O ATOM 887 CB GLU A 62 29.077 -12.135 10.581 1.00 54.13 C ATOM 888 CG GLU A 62 28.424 -11.650 11.864 1.00 32.32 C ATOM 889 CD GLU A 62 29.437 -11.247 12.918 1.00 63.21 C ATOM 890 OE1 GLU A 62 30.479 -11.926 13.031 1.00 22.34 O1- ATOM 891 OE2 GLU A 62 29.188 -10.252 13.630 1.00 12.42 O ATOM 0 H GLU A 62 26.654 -11.996 10.024 1.00 42.53 H new ATOM 0 HA GLU A 62 28.943 -10.422 9.290 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.917 -13.209 10.485 1.00 54.13 H new ATOM 0 HB3 GLU A 62 30.154 -11.978 10.649 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.780 -10.800 11.640 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.785 -12.438 12.262 1.00 32.32 H new ATOM 898 N GLU A 63 28.170 -13.063 7.565 1.00 72.05 N ATOM 899 CA GLU A 63 28.501 -13.843 6.377 1.00 4.24 C ATOM 900 C GLU A 63 27.987 -13.155 5.115 1.00 63.22 C ATOM 901 O GLU A 63 28.571 -13.291 4.039 1.00 24.32 O ATOM 902 CB GLU A 63 27.909 -15.250 6.482 1.00 2.20 C ATOM 903 CG GLU A 63 28.052 -16.066 5.209 1.00 63.03 C ATOM 904 CD GLU A 63 29.500 -16.268 4.804 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.357 -16.383 5.705 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.774 -16.313 3.587 1.00 13.21 O ATOM 0 H GLU A 63 27.245 -13.254 7.951 1.00 72.05 H new ATOM 0 HA GLU A 63 29.587 -13.918 6.313 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.396 -15.780 7.300 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.852 -15.172 6.737 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.579 -17.038 5.350 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.519 -15.567 4.400 1.00 63.03 H new ATOM 913 N PHE A 64 26.891 -12.417 5.255 1.00 65.55 N ATOM 914 CA PHE A 64 26.297 -11.710 4.126 1.00 2.44 C ATOM 915 C PHE A 64 27.107 -10.464 3.778 1.00 64.41 C ATOM 916 O PHE A 64 27.055 -9.458 4.485 1.00 23.03 O ATOM 917 CB PHE A 64 24.852 -11.320 4.445 1.00 11.52 C ATOM 918 CG PHE A 64 24.107 -10.762 3.266 1.00 62.32 C ATOM 919 CD1 PHE A 64 23.468 -11.606 2.371 1.00 23.14 C ATOM 920 CD2 PHE A 64 24.046 -9.395 3.052 1.00 2.21 C ATOM 921 CE1 PHE A 64 22.783 -11.096 1.285 1.00 23.23 C ATOM 922 CE2 PHE A 64 23.362 -8.879 1.967 1.00 22.10 C ATOM 923 CZ PHE A 64 22.729 -9.731 1.084 1.00 20.10 C ATOM 0 H PHE A 64 26.396 -12.293 6.138 1.00 65.55 H new ATOM 0 HA PHE A 64 26.304 -12.379 3.265 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.322 -12.196 4.818 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.852 -10.582 5.247 1.00 11.52 H new ATOM 0 HD1 PHE A 64 23.506 -12.674 2.524 1.00 23.14 H new ATOM 0 HD2 PHE A 64 24.538 -8.724 3.741 1.00 2.21 H new ATOM 0 HE1 PHE A 64 22.290 -11.764 0.594 1.00 23.23 H new ATOM 0 HE2 PHE A 64 23.323 -7.811 1.810 1.00 22.10 H new ATOM 0 HZ PHE A 64 22.192 -9.330 0.237 1.00 20.10 H new ATOM 933 N VAL A 65 27.856 -10.540 2.682 1.00 21.05 N ATOM 934 CA VAL A 65 28.677 -9.420 2.239 1.00 15.40 C ATOM 935 C VAL A 65 28.089 -8.769 0.992 1.00 44.42 C ATOM 936 O VAL A 65 27.049 -9.191 0.491 1.00 15.41 O ATOM 937 CB VAL A 65 30.120 -9.866 1.940 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.828 -10.278 3.222 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.128 -11.003 0.928 1.00 3.14 C ATOM 0 H VAL A 65 27.911 -11.365 2.085 1.00 21.05 H new ATOM 0 HA VAL A 65 28.690 -8.695 3.053 1.00 15.40 H new ATOM 0 HB VAL A 65 30.660 -9.023 1.509 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.846 -10.590 2.991 1.00 44.35 H new ATOM 0 HG12 VAL A 65 30.855 -9.433 3.911 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.291 -11.106 3.684 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.156 -11.305 0.729 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.572 -11.850 1.328 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.662 -10.668 0.001 1.00 3.14 H new ATOM 949 N GLU A 66 28.766 -7.736 0.496 1.00 71.12 N ATOM 950 CA GLU A 66 28.310 -7.026 -0.693 1.00 72.12 C ATOM 951 C GLU A 66 28.762 -7.742 -1.962 1.00 23.14 C ATOM 952 O GLU A 66 29.799 -8.405 -1.978 1.00 1.30 O ATOM 953 CB GLU A 66 28.837 -5.590 -0.690 1.00 3.54 C ATOM 954 CG GLU A 66 27.997 -4.631 -1.516 1.00 73.15 C ATOM 955 CD GLU A 66 26.662 -4.318 -0.869 1.00 11.41 C ATOM 956 OE1 GLU A 66 26.618 -3.413 -0.008 1.00 63.51 O ATOM 957 OE2 GLU A 66 25.661 -4.976 -1.222 1.00 4.44 O1- ATOM 0 H GLU A 66 29.630 -7.374 0.899 1.00 71.12 H new ATOM 0 HA GLU A 66 27.220 -7.006 -0.677 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.879 -5.230 0.338 1.00 3.54 H new ATOM 0 HB3 GLU A 66 29.858 -5.586 -1.071 1.00 3.54 H new ATOM 0 HG2 GLU A 66 28.551 -3.704 -1.664 1.00 73.15 H new ATOM 0 HG3 GLU A 66 27.826 -5.061 -2.503 1.00 73.15 H new ATOM 964 N GLY A 67 27.975 -7.605 -3.025 1.00 24.52 N ATOM 965 CA GLY A 67 28.310 -8.245 -4.284 1.00 43.11 C ATOM 966 C GLY A 67 27.089 -8.772 -5.010 1.00 53.01 C ATOM 967 O GLY A 67 25.959 -8.400 -4.689 1.00 30.33 O ATOM 0 H GLY A 67 27.111 -7.062 -3.037 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.829 -7.531 -4.924 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.001 -9.067 -4.097 1.00 43.11 H new ATOM 971 N ILE A 68 27.313 -9.638 -5.991 1.00 63.14 N ATOM 972 CA ILE A 68 26.222 -10.216 -6.765 1.00 74.20 C ATOM 973 C ILE A 68 25.852 -11.601 -6.246 1.00 31.45 C ATOM 974 O ILE A 68 26.714 -12.356 -5.793 1.00 12.54 O ATOM 975 CB ILE A 68 26.583 -10.319 -8.258 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.166 -8.996 -8.758 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.358 -10.707 -9.074 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.676 -8.994 -8.840 1.00 72.12 C ATOM 0 H ILE A 68 28.241 -9.956 -6.269 1.00 63.14 H new ATOM 0 HA ILE A 68 25.368 -9.548 -6.652 1.00 74.20 H new ATOM 0 HB ILE A 68 27.338 -11.095 -8.381 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.756 -8.777 -9.744 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.845 -8.193 -8.094 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.629 -10.776 -10.127 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.984 -11.672 -8.732 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.582 -9.952 -8.948 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.019 -8.025 -9.202 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.094 -9.181 -7.851 1.00 72.12 H new ATOM 0 HD13 ILE A 68 29.004 -9.775 -9.526 1.00 72.12 H new ATOM 990 N TYR A 69 24.567 -11.930 -6.315 1.00 70.53 N ATOM 991 CA TYR A 69 24.083 -13.225 -5.852 1.00 5.55 C ATOM 992 C TYR A 69 23.057 -13.802 -6.821 1.00 31.10 C ATOM 993 O TYR A 69 22.219 -13.079 -7.361 1.00 43.33 O ATOM 994 CB TYR A 69 23.468 -13.093 -4.457 1.00 75.15 C ATOM 995 CG TYR A 69 24.464 -12.700 -3.390 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.788 -11.367 -3.172 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.080 -13.661 -2.601 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.698 -11.003 -2.199 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.991 -13.307 -1.623 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.296 -11.977 -1.427 1.00 12.51 C ATOM 1001 OH TYR A 69 27.203 -11.619 -0.455 1.00 52.05 O ATOM 0 H TYR A 69 23.841 -11.317 -6.687 1.00 70.53 H new ATOM 0 HA TYR A 69 24.932 -13.906 -5.805 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.671 -12.350 -4.489 1.00 75.15 H new ATOM 0 HB3 TYR A 69 23.008 -14.042 -4.181 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.320 -10.602 -3.774 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.844 -14.704 -2.754 1.00 31.25 H new ATOM 0 HE1 TYR A 69 25.940 -9.962 -2.044 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.461 -14.067 -1.017 1.00 72.34 H new ATOM 0 HH TYR A 69 26.913 -10.786 -0.028 1.00 52.05 H new ATOM 1011 N LYS A 70 23.128 -15.112 -7.037 1.00 53.33 N ATOM 1012 CA LYS A 70 22.205 -15.789 -7.940 1.00 53.10 C ATOM 1013 C LYS A 70 21.259 -16.702 -7.166 1.00 14.23 C ATOM 1014 O LYS A 70 21.697 -17.556 -6.395 1.00 71.33 O ATOM 1015 CB LYS A 70 22.980 -16.604 -8.979 1.00 4.23 C ATOM 1016 CG LYS A 70 22.104 -17.181 -10.076 1.00 73.02 C ATOM 1017 CD LYS A 70 22.858 -18.199 -10.915 1.00 24.44 C ATOM 1018 CE LYS A 70 22.969 -19.537 -10.201 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.951 -20.440 -10.863 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.815 -15.725 -6.599 1.00 53.33 H new ATOM 0 HA LYS A 70 21.613 -15.029 -8.451 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.743 -15.970 -9.431 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.500 -17.418 -8.475 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.227 -17.652 -9.632 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.744 -16.376 -10.716 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.348 -18.335 -11.869 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.856 -17.821 -11.138 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.268 -19.372 -9.166 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.991 -20.018 -10.178 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 24.163 -21.242 -10.236 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.551 -20.794 -11.755 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.827 -19.915 -11.061 1.00 5.14 H new ATOM 1033 N VAL A 71 19.960 -16.516 -7.377 1.00 73.11 N ATOM 1034 CA VAL A 71 18.952 -17.324 -6.702 1.00 34.45 C ATOM 1035 C VAL A 71 18.274 -18.283 -7.673 1.00 63.22 C ATOM 1036 O VAL A 71 17.931 -17.907 -8.793 1.00 63.42 O ATOM 1037 CB VAL A 71 17.879 -16.442 -6.035 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.779 -17.303 -5.432 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.508 -15.548 -4.978 1.00 13.51 C ATOM 0 H VAL A 71 19.581 -15.812 -8.011 1.00 73.11 H new ATOM 0 HA VAL A 71 19.470 -17.897 -5.933 1.00 34.45 H new ATOM 0 HB VAL A 71 17.431 -15.805 -6.797 1.00 32.41 H new ATOM 0 HG11 VAL A 71 16.030 -16.663 -4.965 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.310 -17.897 -6.217 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.207 -17.967 -4.681 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.736 -14.932 -4.517 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.983 -16.165 -4.216 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.256 -14.906 -5.443 1.00 13.51 H new ATOM 1049 N GLU A 72 18.084 -19.525 -7.236 1.00 52.24 N ATOM 1050 CA GLU A 72 17.447 -20.538 -8.069 1.00 34.02 C ATOM 1051 C GLU A 72 16.253 -21.162 -7.350 1.00 45.41 C ATOM 1052 O GLU A 72 16.396 -21.727 -6.266 1.00 32.53 O ATOM 1053 CB GLU A 72 18.453 -21.625 -8.448 1.00 24.24 C ATOM 1054 CG GLU A 72 19.600 -21.121 -9.308 1.00 50.22 C ATOM 1055 CD GLU A 72 20.373 -22.246 -9.967 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.776 -22.976 -10.787 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.575 -22.397 -9.666 1.00 24.10 O1- ATOM 0 H GLU A 72 18.362 -19.853 -6.311 1.00 52.24 H new ATOM 0 HA GLU A 72 17.089 -20.052 -8.977 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.859 -22.065 -7.537 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.932 -22.420 -8.982 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.207 -20.456 -10.077 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.279 -20.531 -8.692 1.00 50.22 H new ATOM 1064 N ILE A 73 15.079 -21.053 -7.961 1.00 61.12 N ATOM 1065 CA ILE A 73 13.863 -21.606 -7.380 1.00 75.21 C ATOM 1066 C ILE A 73 13.393 -22.834 -8.154 1.00 61.50 C ATOM 1067 O ILE A 73 13.177 -22.773 -9.364 1.00 61.15 O ATOM 1068 CB ILE A 73 12.727 -20.566 -7.353 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.236 -19.239 -6.788 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.554 -21.083 -6.534 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.179 -18.157 -6.739 1.00 64.32 C ATOM 0 H ILE A 73 14.944 -20.587 -8.858 1.00 61.12 H new ATOM 0 HA ILE A 73 14.106 -21.894 -6.357 1.00 75.21 H new ATOM 0 HB ILE A 73 12.384 -20.397 -8.374 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.621 -19.406 -5.782 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.072 -18.892 -7.395 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.760 -20.337 -6.525 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.180 -22.006 -6.977 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.881 -21.278 -5.513 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.611 -17.245 -6.328 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.811 -17.962 -7.746 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.353 -18.484 -6.108 1.00 64.32 H new ATOM 1083 N ASP A 74 13.236 -23.947 -7.447 1.00 20.43 N ATOM 1084 CA ASP A 74 12.789 -25.190 -8.066 1.00 51.21 C ATOM 1085 C ASP A 74 11.272 -25.330 -7.969 1.00 25.22 C ATOM 1086 O ASP A 74 10.757 -26.016 -7.085 1.00 75.54 O ATOM 1087 CB ASP A 74 13.468 -26.389 -7.402 1.00 1.22 C ATOM 1088 CG ASP A 74 14.675 -26.875 -8.180 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.509 -26.031 -8.568 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 14.784 -28.099 -8.402 1.00 5.22 O ATOM 0 H ASP A 74 13.412 -24.015 -6.444 1.00 20.43 H new ATOM 0 HA ASP A 74 13.067 -25.163 -9.120 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.776 -26.115 -6.393 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.749 -27.203 -7.306 1.00 1.22 H new ATOM 1095 N THR A 75 10.563 -24.676 -8.883 1.00 25.23 N ATOM 1096 CA THR A 75 9.107 -24.726 -8.899 1.00 73.01 C ATOM 1097 C THR A 75 8.607 -26.145 -9.143 1.00 65.31 C ATOM 1098 O THR A 75 7.482 -26.490 -8.784 1.00 53.44 O ATOM 1099 CB THR A 75 8.525 -23.796 -9.982 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.728 -24.368 -11.279 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.174 -22.422 -9.921 1.00 30.20 C ATOM 0 H THR A 75 10.974 -24.105 -9.622 1.00 25.23 H new ATOM 0 HA THR A 75 8.769 -24.388 -7.919 1.00 73.01 H new ATOM 0 HB THR A 75 7.457 -23.684 -9.798 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.993 -24.984 -11.484 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.747 -21.783 -10.694 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.993 -21.977 -8.942 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.248 -22.519 -10.082 1.00 30.20 H new ATOM 1109 N LYS A 76 9.453 -26.967 -9.756 1.00 33.31 N ATOM 1110 CA LYS A 76 9.100 -28.352 -10.046 1.00 53.53 C ATOM 1111 C LYS A 76 8.614 -29.065 -8.789 1.00 52.22 C ATOM 1112 O LYS A 76 7.705 -29.892 -8.845 1.00 33.40 O ATOM 1113 CB LYS A 76 10.302 -29.094 -10.634 1.00 42.11 C ATOM 1114 CG LYS A 76 11.546 -29.021 -9.766 1.00 35.11 C ATOM 1115 CD LYS A 76 11.826 -30.348 -9.081 1.00 64.45 C ATOM 1116 CE LYS A 76 12.617 -31.285 -9.984 1.00 4.34 C ATOM 1117 NZ LYS A 76 11.743 -31.965 -10.979 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.388 -26.698 -10.062 1.00 33.31 H new ATOM 0 HA LYS A 76 8.290 -28.349 -10.776 1.00 53.53 H new ATOM 0 HB2 LYS A 76 10.035 -30.140 -10.784 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.530 -28.679 -11.616 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.402 -28.739 -10.379 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.421 -28.242 -9.014 1.00 35.11 H new ATOM 0 HD2 LYS A 76 12.382 -30.173 -8.160 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.884 -30.820 -8.800 1.00 64.45 H new ATOM 0 HE2 LYS A 76 13.390 -30.720 -10.505 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.125 -32.033 -9.375 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.241 -32.788 -11.374 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 10.868 -32.280 -10.514 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 11.508 -31.302 -11.745 1.00 11.00 H new ATOM 1131 N SER A 77 9.225 -28.737 -7.654 1.00 50.35 N ATOM 1132 CA SER A 77 8.856 -29.348 -6.383 1.00 24.21 C ATOM 1133 C SER A 77 7.490 -28.853 -5.918 1.00 74.33 C ATOM 1134 O SER A 77 6.762 -29.564 -5.225 1.00 24.13 O ATOM 1135 CB SER A 77 9.911 -29.040 -5.320 1.00 2.11 C ATOM 1136 OG SER A 77 10.972 -29.979 -5.366 1.00 64.04 O ATOM 0 H SER A 77 9.978 -28.052 -7.590 1.00 50.35 H new ATOM 0 HA SER A 77 8.802 -30.427 -6.529 1.00 24.21 H new ATOM 0 HB2 SER A 77 10.304 -28.035 -5.474 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.451 -29.055 -4.332 1.00 2.11 H new ATOM 0 HG SER A 77 11.634 -29.759 -4.678 1.00 64.04 H new ATOM 1142 N TYR A 78 7.148 -27.629 -6.306 1.00 62.35 N ATOM 1143 CA TYR A 78 5.871 -27.036 -5.928 1.00 72.42 C ATOM 1144 C TYR A 78 4.764 -27.473 -6.884 1.00 51.41 C ATOM 1145 O TYR A 78 3.593 -27.535 -6.509 1.00 23.54 O ATOM 1146 CB TYR A 78 5.977 -25.511 -5.915 1.00 12.14 C ATOM 1147 CG TYR A 78 4.638 -24.812 -5.848 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.705 -25.148 -4.875 1.00 30.23 C ATOM 1149 CD2 TYR A 78 4.306 -23.815 -6.758 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.479 -24.511 -4.810 1.00 24.52 C ATOM 1151 CE2 TYR A 78 3.084 -23.173 -6.700 1.00 34.34 C ATOM 1152 CZ TYR A 78 2.174 -23.525 -5.724 1.00 21.50 C ATOM 1153 OH TYR A 78 0.956 -22.889 -5.664 1.00 72.23 O ATOM 0 H TYR A 78 7.738 -27.028 -6.882 1.00 62.35 H new ATOM 0 HA TYR A 78 5.620 -27.384 -4.926 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.581 -25.204 -5.061 1.00 12.14 H new ATOM 0 HB3 TYR A 78 6.504 -25.184 -6.812 1.00 12.14 H new ATOM 0 HD1 TYR A 78 3.941 -25.920 -4.157 1.00 30.23 H new ATOM 0 HD2 TYR A 78 5.015 -23.537 -7.524 1.00 70.41 H new ATOM 0 HE1 TYR A 78 1.765 -24.784 -4.048 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.842 -22.400 -7.414 1.00 34.34 H new ATOM 0 HH TYR A 78 0.722 -22.546 -6.552 1.00 72.23 H new ATOM 1163 N TRP A 79 5.144 -27.772 -8.121 1.00 73.24 N ATOM 1164 CA TRP A 79 4.184 -28.202 -9.131 1.00 62.55 C ATOM 1165 C TRP A 79 3.847 -29.681 -8.967 1.00 11.32 C ATOM 1166 O TRP A 79 2.782 -30.134 -9.385 1.00 34.45 O ATOM 1167 CB TRP A 79 4.741 -27.947 -10.534 1.00 35.20 C ATOM 1168 CG TRP A 79 4.948 -26.493 -10.835 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.084 -25.910 -11.317 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.992 -25.440 -10.670 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.893 -24.557 -11.464 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.617 -24.243 -11.074 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.669 -25.391 -10.224 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.963 -23.015 -11.042 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 2.022 -24.170 -10.193 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.668 -22.996 -10.601 1.00 2.41 C ATOM 0 H TRP A 79 6.109 -27.725 -8.448 1.00 73.24 H new ATOM 0 HA TRP A 79 3.270 -27.623 -8.998 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.690 -28.472 -10.641 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.058 -28.370 -11.271 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.999 -26.435 -11.549 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.588 -23.894 -11.808 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.161 -26.291 -9.909 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.460 -22.109 -11.354 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 1.000 -24.120 -9.848 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.134 -22.058 -10.567 1.00 2.41 H new ATOM 1187 N LYS A 80 4.760 -30.427 -8.356 1.00 14.35 N ATOM 1188 CA LYS A 80 4.559 -31.854 -8.134 1.00 74.13 C ATOM 1189 C LYS A 80 3.658 -32.095 -6.927 1.00 72.35 C ATOM 1190 O LYS A 80 3.074 -33.169 -6.781 1.00 42.42 O ATOM 1191 CB LYS A 80 5.904 -32.554 -7.928 1.00 2.35 C ATOM 1192 CG LYS A 80 6.493 -32.344 -6.543 1.00 11.13 C ATOM 1193 CD LYS A 80 6.387 -33.601 -5.696 1.00 4.54 C ATOM 1194 CE LYS A 80 7.700 -34.370 -5.675 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.512 -35.774 -5.216 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.648 -30.067 -8.005 1.00 14.35 H new ATOM 0 HA LYS A 80 4.073 -32.269 -9.017 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.778 -33.623 -8.102 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.611 -32.191 -8.673 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.539 -32.051 -6.632 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.974 -31.524 -6.046 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.105 -33.333 -4.678 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.596 -34.240 -6.088 1.00 4.54 H new ATOM 0 HE2 LYS A 80 8.137 -34.370 -6.673 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.407 -33.864 -5.017 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 8.429 -36.265 -5.215 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.118 -35.775 -4.253 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.857 -36.264 -5.858 1.00 15.12 H new ATOM 1209 N ALA A 81 3.547 -31.089 -6.066 1.00 25.24 N ATOM 1210 CA ALA A 81 2.714 -31.191 -4.874 1.00 60.14 C ATOM 1211 C ALA A 81 1.239 -31.303 -5.244 1.00 25.04 C ATOM 1212 O ALA A 81 0.477 -32.013 -4.588 1.00 75.40 O ATOM 1213 CB ALA A 81 2.944 -29.993 -3.965 1.00 62.23 C ATOM 0 H ALA A 81 4.024 -30.194 -6.172 1.00 25.24 H new ATOM 0 HA ALA A 81 2.997 -32.097 -4.339 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.315 -30.083 -3.079 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.991 -29.960 -3.665 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.690 -29.077 -4.499 1.00 62.23 H new ATOM 1219 N LEU A 82 0.842 -30.596 -6.296 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.543 -30.615 -6.752 1.00 42.14 C ATOM 1221 C LEU A 82 -0.675 -31.388 -8.060 1.00 63.11 C ATOM 1222 O LEU A 82 -1.751 -31.877 -8.398 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.059 -29.187 -6.937 1.00 1.31 C ATOM 1224 CG LEU A 82 0.007 -28.096 -7.043 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.825 -28.270 -8.314 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.634 -26.717 -7.005 1.00 52.23 C ATOM 0 H LEU A 82 1.460 -30.002 -6.849 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.143 -31.117 -5.993 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.671 -29.157 -7.838 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.713 -28.947 -6.099 1.00 1.31 H new ATOM 0 HG LEU A 82 0.677 -28.187 -6.188 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.578 -27.485 -8.372 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.316 -29.243 -8.301 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.168 -28.207 -9.181 1.00 30.23 H new ATOM 0 HD21 LEU A 82 0.140 -25.954 -7.082 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.328 -26.615 -7.839 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.174 -26.593 -6.067 1.00 52.23 H new ATOM 1238 N GLY A 83 0.431 -31.496 -8.792 1.00 74.15 N ATOM 1239 CA GLY A 83 0.417 -32.213 -10.054 1.00 24.44 C ATOM 1240 C GLY A 83 0.131 -31.307 -11.234 1.00 53.33 C ATOM 1241 O GLY A 83 -0.691 -31.633 -12.091 1.00 44.53 O ATOM 0 H GLY A 83 1.335 -31.100 -8.534 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.380 -32.702 -10.201 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.337 -32.999 -10.013 1.00 24.44 H new ATOM 1245 N ILE A 84 0.809 -30.165 -11.278 1.00 11.52 N ATOM 1246 CA ILE A 84 0.622 -29.207 -12.361 1.00 73.53 C ATOM 1247 C ILE A 84 1.564 -29.502 -13.524 1.00 73.31 C ATOM 1248 O ILE A 84 2.720 -29.874 -13.321 1.00 12.13 O ATOM 1249 CB ILE A 84 0.854 -27.762 -11.882 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.485 -27.069 -11.616 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.663 -26.987 -12.910 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.419 -27.876 -10.743 1.00 31.45 C ATOM 0 H ILE A 84 1.493 -29.881 -10.576 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.410 -29.308 -12.697 1.00 73.53 H new ATOM 0 HB ILE A 84 1.419 -27.789 -10.950 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.298 -26.106 -11.141 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -0.975 -26.866 -12.568 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.819 -25.968 -12.557 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.628 -27.472 -13.054 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.123 -26.965 -13.856 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.348 -27.324 -10.596 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.635 -28.829 -11.226 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -0.948 -28.057 -9.777 1.00 31.45 H new ATOM 1264 N SER A 85 1.062 -29.333 -14.743 1.00 52.21 N ATOM 1265 CA SER A 85 1.857 -29.583 -15.939 1.00 24.12 C ATOM 1266 C SER A 85 3.174 -28.815 -15.886 1.00 3.33 C ATOM 1267 O SER A 85 3.213 -27.589 -15.999 1.00 53.24 O ATOM 1268 CB SER A 85 1.073 -29.187 -17.191 1.00 54.52 C ATOM 1269 OG SER A 85 1.657 -29.741 -18.357 1.00 23.32 O ATOM 0 H SER A 85 0.108 -29.024 -14.928 1.00 52.21 H new ATOM 0 HA SER A 85 2.079 -30.649 -15.981 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.042 -29.528 -17.100 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.044 -28.101 -17.277 1.00 54.52 H new ATOM 0 HG SER A 85 1.136 -29.474 -19.143 1.00 23.32 H new ATOM 1275 N PRO A 86 4.281 -29.551 -15.708 1.00 42.12 N ATOM 1276 CA PRO A 86 5.621 -28.961 -15.636 1.00 71.24 C ATOM 1277 C PRO A 86 6.085 -28.411 -16.979 1.00 40.35 C ATOM 1278 O PRO A 86 6.327 -29.166 -17.921 1.00 12.43 O ATOM 1279 CB PRO A 86 6.503 -30.137 -15.206 1.00 45.12 C ATOM 1280 CG PRO A 86 5.772 -31.348 -15.672 1.00 24.31 C ATOM 1281 CD PRO A 86 4.309 -31.016 -15.565 1.00 65.12 C ATOM 0 HA PRO A 86 5.656 -28.112 -14.954 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.494 -30.075 -15.657 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.645 -30.151 -14.125 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.042 -31.596 -16.699 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.021 -32.214 -15.059 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.727 -31.507 -16.345 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.893 -31.335 -14.609 1.00 65.12 H new ATOM 1289 N MET A 87 6.208 -27.090 -17.062 1.00 43.33 N ATOM 1290 CA MET A 87 6.646 -26.439 -18.292 1.00 1.42 C ATOM 1291 C MET A 87 8.134 -26.109 -18.232 1.00 55.04 C ATOM 1292 O MET A 87 8.815 -26.083 -19.258 1.00 10.13 O ATOM 1293 CB MET A 87 5.838 -25.161 -18.533 1.00 20.04 C ATOM 1294 CG MET A 87 4.403 -25.422 -18.959 1.00 72.24 C ATOM 1295 SD MET A 87 4.233 -25.613 -20.745 1.00 22.31 S ATOM 1296 CE MET A 87 2.475 -25.918 -20.887 1.00 35.42 C ATOM 0 H MET A 87 6.011 -26.450 -16.293 1.00 43.33 H new ATOM 0 HA MET A 87 6.478 -27.129 -19.119 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.835 -24.565 -17.620 1.00 20.04 H new ATOM 0 HB3 MET A 87 6.334 -24.566 -19.300 1.00 20.04 H new ATOM 0 HG2 MET A 87 4.039 -26.323 -18.465 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.773 -24.598 -18.624 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.213 -26.057 -21.936 1.00 35.42 H new ATOM 0 HE2 MET A 87 2.215 -26.816 -20.326 1.00 35.42 H new ATOM 0 HE3 MET A 87 1.925 -25.067 -20.486 1.00 35.42 H new ATOM 1306 N HIS A 88 8.633 -25.858 -17.027 1.00 0.52 N ATOM 1307 CA HIS A 88 10.041 -25.531 -16.834 1.00 51.21 C ATOM 1308 C HIS A 88 10.616 -26.285 -15.640 1.00 23.12 C ATOM 1309 O HIS A 88 9.895 -26.984 -14.929 1.00 50.35 O ATOM 1310 CB HIS A 88 10.213 -24.024 -16.632 1.00 24.12 C ATOM 1311 CG HIS A 88 9.984 -23.223 -17.876 1.00 62.11 C ATOM 1312 ND1 HIS A 88 10.901 -23.150 -18.904 1.00 74.54 N ATOM 1313 CD2 HIS A 88 8.934 -22.458 -18.256 1.00 20.22 C ATOM 1314 CE1 HIS A 88 10.425 -22.374 -19.861 1.00 21.10 C ATOM 1315 NE2 HIS A 88 9.232 -21.941 -19.493 1.00 3.14 N ATOM 0 H HIS A 88 8.083 -25.875 -16.168 1.00 0.52 H new ATOM 0 HA HIS A 88 10.585 -25.835 -17.728 1.00 51.21 H new ATOM 0 HB2 HIS A 88 9.520 -23.688 -15.861 1.00 24.12 H new ATOM 0 HB3 HIS A 88 11.220 -23.828 -16.264 1.00 24.12 H new ATOM 0 HD2 HIS A 88 8.030 -22.286 -17.691 1.00 20.22 H new ATOM 0 HE1 HIS A 88 10.926 -22.134 -20.787 1.00 21.10 H new ATOM 0 HE2 HIS A 88 8.631 -21.324 -20.039 1.00 3.14 H new ATOM 1323 N GLU A 89 11.921 -26.140 -15.426 1.00 53.32 N ATOM 1324 CA GLU A 89 12.592 -26.810 -14.319 1.00 13.34 C ATOM 1325 C GLU A 89 12.678 -25.895 -13.101 1.00 2.34 C ATOM 1326 O GLU A 89 12.038 -26.141 -12.079 1.00 33.31 O ATOM 1327 CB GLU A 89 13.996 -27.254 -14.738 1.00 13.54 C ATOM 1328 CG GLU A 89 14.577 -28.344 -13.855 1.00 22.51 C ATOM 1329 CD GLU A 89 13.898 -29.685 -14.059 1.00 44.10 C ATOM 1330 OE1 GLU A 89 12.861 -29.930 -13.408 1.00 63.34 O ATOM 1331 OE2 GLU A 89 14.404 -30.487 -14.871 1.00 31.10 O1- ATOM 0 H GLU A 89 12.533 -25.565 -16.005 1.00 53.32 H new ATOM 0 HA GLU A 89 12.006 -27.689 -14.051 1.00 13.34 H new ATOM 0 HB2 GLU A 89 13.963 -27.611 -15.767 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.661 -26.391 -14.721 1.00 13.54 H new ATOM 0 HG2 GLU A 89 15.642 -28.445 -14.063 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.483 -28.049 -12.810 1.00 22.51 H new ATOM 1338 N HIS A 90 13.475 -24.837 -13.218 1.00 12.33 N ATOM 1339 CA HIS A 90 13.645 -23.884 -12.126 1.00 64.04 C ATOM 1340 C HIS A 90 13.924 -22.484 -12.666 1.00 64.34 C ATOM 1341 O HIS A 90 14.457 -22.327 -13.764 1.00 61.10 O ATOM 1342 CB HIS A 90 14.786 -24.326 -11.209 1.00 14.33 C ATOM 1343 CG HIS A 90 16.034 -24.703 -11.945 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.537 -25.987 -11.963 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.881 -23.958 -12.692 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.641 -26.015 -12.688 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.871 -24.796 -13.142 1.00 64.31 N ATOM 0 H HIS A 90 14.013 -24.618 -14.057 1.00 12.33 H new ATOM 0 HA HIS A 90 12.718 -23.856 -11.553 1.00 64.04 H new ATOM 0 HB2 HIS A 90 15.015 -23.519 -10.512 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.454 -25.177 -10.614 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.794 -22.901 -12.896 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.251 -26.886 -12.877 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.657 -24.522 -13.731 1.00 64.31 H new ATOM 1355 N ALA A 91 13.559 -21.471 -11.888 1.00 30.43 N ATOM 1356 CA ALA A 91 13.771 -20.086 -12.287 1.00 4.31 C ATOM 1357 C ALA A 91 15.009 -19.504 -11.613 1.00 13.54 C ATOM 1358 O ALA A 91 15.072 -19.406 -10.387 1.00 55.12 O ATOM 1359 CB ALA A 91 12.545 -19.248 -11.957 1.00 53.12 C ATOM 0 H ALA A 91 13.115 -21.584 -10.977 1.00 30.43 H new ATOM 0 HA ALA A 91 13.932 -20.065 -13.365 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.718 -18.215 -12.261 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.680 -19.643 -12.490 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.358 -19.284 -10.884 1.00 53.12 H new ATOM 1365 N GLU A 92 15.992 -19.118 -12.421 1.00 71.53 N ATOM 1366 CA GLU A 92 17.228 -18.547 -11.901 1.00 22.11 C ATOM 1367 C GLU A 92 17.274 -17.040 -12.139 1.00 21.04 C ATOM 1368 O GLU A 92 17.027 -16.568 -13.249 1.00 35.42 O ATOM 1369 CB GLU A 92 18.440 -19.215 -12.555 1.00 20.12 C ATOM 1370 CG GLU A 92 18.278 -20.714 -12.747 1.00 3.34 C ATOM 1371 CD GLU A 92 17.988 -21.089 -14.187 1.00 5.13 C ATOM 1372 OE1 GLU A 92 17.233 -20.349 -14.852 1.00 51.43 O ATOM 1373 OE2 GLU A 92 18.515 -22.123 -14.650 1.00 1.44 O1- ATOM 0 H GLU A 92 15.956 -19.191 -13.438 1.00 71.53 H new ATOM 0 HA GLU A 92 17.258 -18.729 -10.827 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.622 -18.750 -13.524 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.322 -19.029 -11.942 1.00 20.12 H new ATOM 0 HG2 GLU A 92 19.187 -21.219 -12.420 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.468 -21.073 -12.112 1.00 3.34 H new ATOM 1380 N VAL A 93 17.592 -16.291 -11.089 1.00 13.33 N ATOM 1381 CA VAL A 93 17.671 -14.837 -11.182 1.00 70.50 C ATOM 1382 C VAL A 93 18.934 -14.312 -10.511 1.00 3.53 C ATOM 1383 O VAL A 93 19.376 -14.842 -9.491 1.00 12.13 O ATOM 1384 CB VAL A 93 16.443 -14.166 -10.538 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.543 -12.652 -10.649 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.160 -14.673 -11.181 1.00 45.53 C ATOM 0 H VAL A 93 17.799 -16.666 -10.163 1.00 13.33 H new ATOM 0 HA VAL A 93 17.697 -14.588 -12.243 1.00 70.50 H new ATOM 0 HB VAL A 93 16.420 -14.428 -9.480 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.667 -12.195 -10.189 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.442 -12.308 -10.138 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.591 -12.367 -11.700 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.303 -14.188 -10.714 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.171 -14.442 -12.246 1.00 45.53 H new ATOM 0 HG23 VAL A 93 15.086 -15.752 -11.044 1.00 45.53 H new ATOM 1396 N VAL A 94 19.513 -13.264 -11.089 1.00 2.22 N ATOM 1397 CA VAL A 94 20.726 -12.664 -10.546 1.00 2.02 C ATOM 1398 C VAL A 94 20.444 -11.283 -9.966 1.00 12.31 C ATOM 1399 O VAL A 94 19.787 -10.455 -10.598 1.00 50.11 O ATOM 1400 CB VAL A 94 21.823 -12.543 -11.621 1.00 14.01 C ATOM 1401 CG1 VAL A 94 23.072 -11.900 -11.040 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.140 -13.907 -12.213 1.00 30.43 C ATOM 0 H VAL A 94 19.161 -12.813 -11.934 1.00 2.22 H new ATOM 0 HA VAL A 94 21.077 -13.324 -9.752 1.00 2.02 H new ATOM 0 HB VAL A 94 21.454 -11.902 -12.422 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.835 -11.823 -11.814 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.830 -10.904 -10.669 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.448 -12.511 -10.219 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.917 -13.803 -12.971 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.489 -14.574 -11.424 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.242 -14.323 -12.669 1.00 30.43 H new ATOM 1412 N PHE A 95 20.944 -11.040 -8.759 1.00 1.21 N ATOM 1413 CA PHE A 95 20.746 -9.758 -8.092 1.00 71.43 C ATOM 1414 C PHE A 95 22.084 -9.118 -7.734 1.00 71.25 C ATOM 1415 O PHE A 95 22.887 -9.699 -7.003 1.00 40.21 O ATOM 1416 CB PHE A 95 19.901 -9.941 -6.830 1.00 71.11 C ATOM 1417 CG PHE A 95 18.622 -10.693 -7.069 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.611 -12.078 -7.090 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.431 -10.014 -7.271 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.435 -12.771 -7.310 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.253 -10.702 -7.492 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.255 -12.082 -7.510 1.00 23.11 C ATOM 0 H PHE A 95 21.490 -11.714 -8.222 1.00 1.21 H new ATOM 0 HA PHE A 95 20.220 -9.096 -8.780 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.490 -10.471 -6.081 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.665 -8.961 -6.415 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.531 -12.622 -6.933 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.423 -8.934 -7.256 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.439 -13.851 -7.325 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.332 -10.160 -7.650 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.335 -12.622 -7.680 1.00 23.11 H new ATOM 1432 N THR A 96 22.318 -7.918 -8.254 1.00 53.44 N ATOM 1433 CA THR A 96 23.558 -7.199 -7.992 1.00 53.12 C ATOM 1434 C THR A 96 23.391 -6.219 -6.837 1.00 30.54 C ATOM 1435 O THR A 96 22.534 -5.337 -6.877 1.00 64.13 O ATOM 1436 CB THR A 96 24.036 -6.429 -9.238 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.948 -7.268 -10.395 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.469 -5.950 -9.061 1.00 22.52 C ATOM 0 H THR A 96 21.664 -7.423 -8.860 1.00 53.44 H new ATOM 0 HA THR A 96 24.306 -7.946 -7.727 1.00 53.12 H new ATOM 0 HB THR A 96 23.392 -5.559 -9.370 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.252 -6.771 -11.183 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.785 -5.409 -9.953 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.528 -5.289 -8.196 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.123 -6.808 -8.907 1.00 22.52 H new ATOM 1446 N ALA A 97 24.216 -6.380 -5.806 1.00 62.01 N ATOM 1447 CA ALA A 97 24.161 -5.507 -4.640 1.00 43.35 C ATOM 1448 C ALA A 97 25.366 -4.574 -4.597 1.00 12.42 C ATOM 1449 O ALA A 97 26.397 -4.846 -5.211 1.00 52.21 O ATOM 1450 CB ALA A 97 24.086 -6.334 -3.366 1.00 10.43 C ATOM 0 H ALA A 97 24.930 -7.107 -5.755 1.00 62.01 H new ATOM 0 HA ALA A 97 23.262 -4.895 -4.716 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.045 -5.670 -2.503 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.191 -6.956 -3.388 1.00 10.43 H new ATOM 0 HB3 ALA A 97 24.968 -6.970 -3.293 1.00 10.43 H new ATOM 1456 N ASN A 98 25.228 -3.470 -3.868 1.00 22.42 N ATOM 1457 CA ASN A 98 26.306 -2.495 -3.745 1.00 70.24 C ATOM 1458 C ASN A 98 26.232 -1.769 -2.406 1.00 0.21 C ATOM 1459 O ASN A 98 25.243 -1.881 -1.680 1.00 44.32 O ATOM 1460 CB ASN A 98 26.239 -1.484 -4.891 1.00 53.32 C ATOM 1461 CG ASN A 98 26.774 -2.049 -6.192 1.00 65.42 C ATOM 1462 OD1 ASN A 98 26.051 -2.707 -6.940 1.00 61.01 O ATOM 1463 ND2 ASN A 98 28.048 -1.794 -6.469 1.00 50.32 N ATOM 0 H ASN A 98 24.381 -3.229 -3.354 1.00 22.42 H new ATOM 0 HA ASN A 98 27.255 -3.030 -3.796 1.00 70.24 H new ATOM 0 HB2 ASN A 98 25.206 -1.168 -5.033 1.00 53.32 H new ATOM 0 HB3 ASN A 98 26.810 -0.595 -4.622 1.00 53.32 H new ATOM 0 HD21 ASN A 98 28.463 -2.148 -7.331 1.00 50.32 H new ATOM 0 HD22 ASN A 98 28.611 -1.244 -5.820 1.00 50.32 H new ATOM 1470 N ASP A 99 27.285 -1.024 -2.085 1.00 15.12 N ATOM 1471 CA ASP A 99 27.339 -0.277 -0.834 1.00 4.24 C ATOM 1472 C ASP A 99 26.429 0.946 -0.890 1.00 73.21 C ATOM 1473 O ASP A 99 26.887 2.063 -1.127 1.00 53.11 O ATOM 1474 CB ASP A 99 28.775 0.155 -0.535 1.00 62.12 C ATOM 1475 CG ASP A 99 28.939 0.688 0.875 1.00 13.14 C ATOM 1476 OD1 ASP A 99 28.457 0.028 1.819 1.00 55.13 O ATOM 1477 OD2 ASP A 99 29.550 1.765 1.034 1.00 52.50 O1- ATOM 0 H ASP A 99 28.112 -0.922 -2.674 1.00 15.12 H new ATOM 0 HA ASP A 99 26.990 -0.931 -0.035 1.00 4.24 H new ATOM 0 HB2 ASP A 99 29.444 -0.693 -0.679 1.00 62.12 H new ATOM 0 HB3 ASP A 99 29.076 0.923 -1.248 1.00 62.12 H new ATOM 1482 N SER A 100 25.136 0.725 -0.672 1.00 64.11 N ATOM 1483 CA SER A 100 24.160 1.808 -0.702 1.00 51.44 C ATOM 1484 C SER A 100 22.881 1.408 0.026 1.00 2.13 C ATOM 1485 O SER A 100 22.247 0.409 -0.311 1.00 24.13 O ATOM 1486 CB SER A 100 23.838 2.191 -2.148 1.00 72.33 C ATOM 1487 OG SER A 100 25.010 2.214 -2.943 1.00 61.25 O ATOM 0 H SER A 100 24.741 -0.194 -0.473 1.00 64.11 H new ATOM 0 HA SER A 100 24.593 2.669 -0.192 1.00 51.44 H new ATOM 0 HB2 SER A 100 23.126 1.480 -2.566 1.00 72.33 H new ATOM 0 HB3 SER A 100 23.361 3.171 -2.170 1.00 72.33 H new ATOM 0 HG SER A 100 25.762 2.543 -2.408 1.00 61.25 H new ATOM 1493 N GLY A 101 22.508 2.196 1.030 1.00 42.21 N ATOM 1494 CA GLY A 101 21.307 1.908 1.793 1.00 53.22 C ATOM 1495 C GLY A 101 21.396 0.592 2.539 1.00 10.13 C ATOM 1496 O GLY A 101 22.385 -0.134 2.445 1.00 41.01 O ATOM 0 H GLY A 101 23.016 3.029 1.329 1.00 42.21 H new ATOM 0 HA2 GLY A 101 21.130 2.714 2.505 1.00 53.22 H new ATOM 0 HA3 GLY A 101 20.450 1.883 1.120 1.00 53.22 H new ATOM 1500 N PRO A 102 20.342 0.270 3.304 1.00 72.31 N ATOM 1501 CA PRO A 102 20.281 -0.969 4.086 1.00 62.41 C ATOM 1502 C PRO A 102 20.145 -2.206 3.204 1.00 55.41 C ATOM 1503 O PRO A 102 19.673 -2.121 2.070 1.00 30.03 O ATOM 1504 CB PRO A 102 19.028 -0.785 4.945 1.00 3.05 C ATOM 1505 CG PRO A 102 18.178 0.167 4.177 1.00 21.03 C ATOM 1506 CD PRO A 102 19.128 1.088 3.463 1.00 22.35 C ATOM 0 HA PRO A 102 21.191 -1.131 4.664 1.00 62.41 H new ATOM 0 HB2 PRO A 102 18.515 -1.733 5.105 1.00 3.05 H new ATOM 0 HB3 PRO A 102 19.277 -0.388 5.929 1.00 3.05 H new ATOM 0 HG2 PRO A 102 17.541 -0.363 3.468 1.00 21.03 H new ATOM 0 HG3 PRO A 102 17.519 0.725 4.842 1.00 21.03 H new ATOM 0 HD2 PRO A 102 18.730 1.408 2.500 1.00 22.35 H new ATOM 0 HD3 PRO A 102 19.324 1.990 4.042 1.00 22.35 H new ATOM 1514 N ARG A 103 20.561 -3.352 3.732 1.00 52.42 N ATOM 1515 CA ARG A 103 20.484 -4.606 2.992 1.00 64.24 C ATOM 1516 C ARG A 103 19.390 -5.506 3.558 1.00 1.20 C ATOM 1517 O ARG A 103 19.519 -6.730 3.559 1.00 43.01 O ATOM 1518 CB ARG A 103 21.831 -5.331 3.036 1.00 21.14 C ATOM 1519 CG ARG A 103 23.019 -4.428 2.749 1.00 71.15 C ATOM 1520 CD ARG A 103 24.337 -5.159 2.954 1.00 40.02 C ATOM 1521 NE ARG A 103 25.456 -4.235 3.111 1.00 23.44 N ATOM 1522 CZ ARG A 103 26.698 -4.624 3.380 1.00 72.30 C ATOM 1523 NH1 ARG A 103 26.978 -5.913 3.517 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 27.663 -3.723 3.509 1.00 23.55 N ATOM 0 H ARG A 103 20.955 -3.438 4.669 1.00 52.42 H new ATOM 0 HA ARG A 103 20.238 -4.373 1.956 1.00 64.24 H new ATOM 0 HB2 ARG A 103 21.959 -5.783 4.020 1.00 21.14 H new ATOM 0 HB3 ARG A 103 21.820 -6.144 2.310 1.00 21.14 H new ATOM 0 HG2 ARG A 103 22.960 -4.062 1.724 1.00 71.15 H new ATOM 0 HG3 ARG A 103 22.980 -3.556 3.401 1.00 71.15 H new ATOM 0 HD2 ARG A 103 24.265 -5.795 3.836 1.00 40.02 H new ATOM 0 HD3 ARG A 103 24.524 -5.814 2.103 1.00 40.02 H new ATOM 0 HE ARG A 103 25.275 -3.236 3.009 1.00 23.44 H new ATOM 0 HH11 ARG A 103 26.239 -6.609 3.416 1.00 12.31 H new ATOM 0 HH12 ARG A 103 27.932 -6.208 3.723 1.00 12.31 H new ATOM 0 HH21 ARG A 103 27.452 -2.731 3.402 1.00 23.55 H new ATOM 0 HH22 ARG A 103 28.616 -4.022 3.715 1.00 23.55 H new ATOM 1538 N ARG A 104 18.314 -4.891 4.038 1.00 42.23 N ATOM 1539 CA ARG A 104 17.199 -5.637 4.607 1.00 3.34 C ATOM 1540 C ARG A 104 15.921 -5.397 3.809 1.00 11.24 C ATOM 1541 O ARG A 104 15.189 -4.440 4.061 1.00 3.33 O ATOM 1542 CB ARG A 104 16.983 -5.235 6.068 1.00 1.21 C ATOM 1543 CG ARG A 104 17.024 -3.734 6.300 1.00 52.32 C ATOM 1544 CD ARG A 104 16.214 -3.337 7.525 1.00 23.35 C ATOM 1545 NE ARG A 104 16.546 -1.992 7.988 1.00 23.43 N ATOM 1546 CZ ARG A 104 15.889 -1.366 8.958 1.00 61.22 C ATOM 1547 NH1 ARG A 104 14.870 -1.960 9.563 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 16.251 -0.142 9.323 1.00 61.40 N ATOM 0 H ARG A 104 18.191 -3.878 4.044 1.00 42.23 H new ATOM 0 HA ARG A 104 17.442 -6.698 4.560 1.00 3.34 H new ATOM 0 HB2 ARG A 104 16.020 -5.619 6.403 1.00 1.21 H new ATOM 0 HB3 ARG A 104 17.747 -5.710 6.683 1.00 1.21 H new ATOM 0 HG2 ARG A 104 18.058 -3.412 6.426 1.00 52.32 H new ATOM 0 HG3 ARG A 104 16.635 -3.218 5.422 1.00 52.32 H new ATOM 0 HD2 ARG A 104 15.151 -3.387 7.289 1.00 23.35 H new ATOM 0 HD3 ARG A 104 16.396 -4.052 8.327 1.00 23.35 H new ATOM 0 HE ARG A 104 17.325 -1.507 7.542 1.00 23.43 H new ATOM 0 HH11 ARG A 104 14.589 -2.900 9.284 1.00 21.23 H new ATOM 0 HH12 ARG A 104 14.367 -1.477 10.308 1.00 21.23 H new ATOM 0 HH21 ARG A 104 17.034 0.318 8.859 1.00 61.40 H new ATOM 0 HH22 ARG A 104 15.746 0.338 10.068 1.00 61.40 H new ATOM 1562 N TYR A 105 15.659 -6.273 2.846 1.00 64.52 N ATOM 1563 CA TYR A 105 14.471 -6.156 2.009 1.00 43.23 C ATOM 1564 C TYR A 105 13.960 -7.532 1.592 1.00 12.34 C ATOM 1565 O TYR A 105 14.697 -8.518 1.624 1.00 73.32 O ATOM 1566 CB TYR A 105 14.777 -5.317 0.767 1.00 4.01 C ATOM 1567 CG TYR A 105 14.783 -3.828 1.028 1.00 12.10 C ATOM 1568 CD1 TYR A 105 13.594 -3.116 1.131 1.00 71.31 C ATOM 1569 CD2 TYR A 105 15.977 -3.132 1.171 1.00 32.04 C ATOM 1570 CE1 TYR A 105 13.593 -1.756 1.369 1.00 24.24 C ATOM 1571 CE2 TYR A 105 15.986 -1.771 1.412 1.00 72.42 C ATOM 1572 CZ TYR A 105 14.792 -1.088 1.509 1.00 22.41 C ATOM 1573 OH TYR A 105 14.797 0.267 1.747 1.00 41.31 O ATOM 0 H TYR A 105 16.253 -7.072 2.625 1.00 64.52 H new ATOM 0 HA TYR A 105 13.695 -5.661 2.592 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.749 -5.612 0.370 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.038 -5.539 -0.002 1.00 4.01 H new ATOM 0 HD1 TYR A 105 12.654 -3.636 1.023 1.00 71.31 H new ATOM 0 HD2 TYR A 105 16.914 -3.663 1.093 1.00 32.04 H new ATOM 0 HE1 TYR A 105 12.659 -1.218 1.445 1.00 24.24 H new ATOM 0 HE2 TYR A 105 16.923 -1.245 1.524 1.00 72.42 H new ATOM 0 HH TYR A 105 15.722 0.583 1.821 1.00 41.31 H new ATOM 1583 N THR A 106 12.690 -7.591 1.204 1.00 61.33 N ATOM 1584 CA THR A 106 12.078 -8.845 0.781 1.00 12.11 C ATOM 1585 C THR A 106 11.801 -8.844 -0.718 1.00 32.31 C ATOM 1586 O THR A 106 11.419 -7.822 -1.287 1.00 11.53 O ATOM 1587 CB THR A 106 10.760 -9.109 1.536 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.010 -9.192 2.943 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.109 -10.395 1.053 1.00 20.22 C ATOM 0 H THR A 106 12.065 -6.785 1.174 1.00 61.33 H new ATOM 0 HA THR A 106 12.788 -9.638 1.015 1.00 12.11 H new ATOM 0 HB THR A 106 10.080 -8.280 1.338 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.613 -10.015 3.298 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.181 -10.561 1.600 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.893 -10.316 -0.012 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.786 -11.232 1.225 1.00 20.22 H new ATOM 1597 N ILE A 107 11.995 -9.996 -1.350 1.00 71.42 N ATOM 1598 CA ILE A 107 11.764 -10.128 -2.783 1.00 74.04 C ATOM 1599 C ILE A 107 10.487 -10.914 -3.065 1.00 33.14 C ATOM 1600 O ILE A 107 10.342 -12.057 -2.633 1.00 43.14 O ATOM 1601 CB ILE A 107 12.946 -10.825 -3.483 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.242 -10.050 -3.234 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.678 -10.954 -4.975 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.193 -8.619 -3.721 1.00 2.32 C ATOM 0 H ILE A 107 12.311 -10.851 -0.893 1.00 71.42 H new ATOM 0 HA ILE A 107 11.662 -9.118 -3.179 1.00 74.04 H new ATOM 0 HB ILE A 107 13.057 -11.826 -3.067 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.459 -10.055 -2.166 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.065 -10.566 -3.729 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.523 -11.448 -5.455 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.775 -11.543 -5.133 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.544 -9.963 -5.408 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.145 -8.131 -3.512 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.007 -8.606 -4.795 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.392 -8.087 -3.208 1.00 2.32 H new ATOM 1616 N ALA A 108 9.565 -10.293 -3.792 1.00 44.40 N ATOM 1617 CA ALA A 108 8.302 -10.934 -4.135 1.00 61.41 C ATOM 1618 C ALA A 108 8.329 -11.473 -5.560 1.00 62.14 C ATOM 1619 O ALA A 108 8.488 -10.716 -6.517 1.00 70.45 O ATOM 1620 CB ALA A 108 7.149 -9.957 -3.959 1.00 74.04 C ATOM 0 H ALA A 108 9.669 -9.346 -4.155 1.00 44.40 H new ATOM 0 HA ALA A 108 8.156 -11.777 -3.459 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.212 -10.449 -4.219 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.109 -9.625 -2.922 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.299 -9.096 -4.610 1.00 74.04 H new ATOM 1626 N ALA A 109 8.174 -12.786 -5.695 1.00 63.14 N ATOM 1627 CA ALA A 109 8.180 -13.426 -7.005 1.00 74.21 C ATOM 1628 C ALA A 109 6.933 -14.282 -7.203 1.00 35.54 C ATOM 1629 O ALA A 109 6.454 -14.924 -6.268 1.00 62.10 O ATOM 1630 CB ALA A 109 9.434 -14.270 -7.175 1.00 25.13 C ATOM 0 H ALA A 109 8.043 -13.428 -4.913 1.00 63.14 H new ATOM 0 HA ALA A 109 8.177 -12.644 -7.764 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.425 -14.742 -8.158 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.315 -13.635 -7.086 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.462 -15.039 -6.403 1.00 25.13 H new ATOM 1636 N MET A 110 6.412 -14.287 -8.425 1.00 70.32 N ATOM 1637 CA MET A 110 5.221 -15.066 -8.745 1.00 45.12 C ATOM 1638 C MET A 110 5.553 -16.191 -9.721 1.00 15.33 C ATOM 1639 O MET A 110 6.412 -16.040 -10.589 1.00 41.41 O ATOM 1640 CB MET A 110 4.140 -14.162 -9.339 1.00 74.03 C ATOM 1641 CG MET A 110 3.340 -13.402 -8.293 1.00 13.10 C ATOM 1642 SD MET A 110 1.610 -13.195 -8.757 1.00 31.04 S ATOM 1643 CE MET A 110 0.793 -14.044 -7.407 1.00 0.14 C ATOM 0 H MET A 110 6.795 -13.761 -9.210 1.00 70.32 H new ATOM 0 HA MET A 110 4.847 -15.509 -7.822 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.608 -13.448 -10.017 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.459 -14.768 -9.936 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.396 -13.932 -7.342 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.790 -12.422 -8.138 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.206 -14.347 -7.720 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.370 -14.926 -7.130 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.717 -13.376 -6.549 1.00 0.14 H new ATOM 1653 N LEU A 111 4.866 -17.318 -9.571 1.00 31.10 N ATOM 1654 CA LEU A 111 5.088 -18.469 -10.440 1.00 3.04 C ATOM 1655 C LEU A 111 3.950 -18.621 -11.444 1.00 63.32 C ATOM 1656 O LEU A 111 2.801 -18.848 -11.067 1.00 10.01 O ATOM 1657 CB LEU A 111 5.220 -19.744 -9.605 1.00 34.42 C ATOM 1658 CG LEU A 111 6.646 -20.201 -9.296 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.498 -19.024 -8.849 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.640 -21.291 -8.235 1.00 11.55 C ATOM 0 H LEU A 111 4.152 -17.460 -8.857 1.00 31.10 H new ATOM 0 HA LEU A 111 6.014 -18.304 -10.991 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.696 -19.592 -8.661 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.707 -20.551 -10.128 1.00 34.42 H new ATOM 0 HG LEU A 111 7.080 -20.613 -10.207 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.510 -19.368 -8.633 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.530 -18.276 -9.642 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.066 -18.582 -7.951 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.664 -21.603 -8.028 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.186 -20.907 -7.321 1.00 11.55 H new ATOM 0 HD23 LEU A 111 6.066 -22.145 -8.594 1.00 11.55 H new ATOM 1672 N SER A 112 4.280 -18.495 -12.726 1.00 73.51 N ATOM 1673 CA SER A 112 3.286 -18.617 -13.786 1.00 51.32 C ATOM 1674 C SER A 112 3.865 -19.347 -14.993 1.00 24.21 C ATOM 1675 O SER A 112 4.493 -18.751 -15.869 1.00 14.52 O ATOM 1676 CB SER A 112 2.784 -17.234 -14.204 1.00 2.41 C ATOM 1677 OG SER A 112 3.683 -16.219 -13.793 1.00 5.42 O ATOM 0 H SER A 112 5.227 -18.309 -13.055 1.00 73.51 H new ATOM 0 HA SER A 112 2.449 -19.198 -13.400 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.663 -17.200 -15.287 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.802 -17.053 -13.767 1.00 2.41 H new ATOM 0 HG SER A 112 3.760 -15.545 -14.500 1.00 5.42 H new ATOM 1683 N PRO A 113 3.651 -20.671 -15.042 1.00 54.43 N ATOM 1684 CA PRO A 113 4.143 -21.512 -16.138 1.00 23.13 C ATOM 1685 C PRO A 113 3.410 -21.246 -17.448 1.00 42.52 C ATOM 1686 O PRO A 113 4.019 -21.226 -18.518 1.00 32.13 O ATOM 1687 CB PRO A 113 3.861 -22.934 -15.647 1.00 11.42 C ATOM 1688 CG PRO A 113 2.728 -22.787 -14.691 1.00 14.31 C ATOM 1689 CD PRO A 113 2.911 -21.447 -14.034 1.00 11.21 C ATOM 0 HA PRO A 113 5.194 -21.322 -16.357 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.598 -23.594 -16.474 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.736 -23.366 -15.161 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.771 -22.840 -15.210 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.735 -23.588 -13.952 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.954 -20.984 -13.793 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.469 -21.530 -13.101 1.00 11.21 H new ATOM 1697 N TYR A 114 2.101 -21.039 -17.357 1.00 23.21 N ATOM 1698 CA TYR A 114 1.284 -20.776 -18.536 1.00 4.41 C ATOM 1699 C TYR A 114 1.392 -19.313 -18.957 1.00 5.12 C ATOM 1700 O TYR A 114 1.607 -19.007 -20.129 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.177 -21.133 -18.260 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.356 -22.473 -17.584 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.276 -23.656 -18.310 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.604 -22.558 -16.220 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.440 -24.882 -17.698 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.767 -23.780 -15.598 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.685 -24.940 -16.341 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.847 -26.161 -15.727 1.00 44.10 O ATOM 0 H TYR A 114 1.583 -21.048 -16.479 1.00 23.21 H new ATOM 0 HA TYR A 114 1.655 -21.398 -19.351 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.620 -20.358 -17.634 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.726 -21.134 -19.202 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.082 -23.615 -19.372 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.671 -21.652 -15.636 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.377 -25.791 -18.278 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.958 -23.828 -14.536 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.011 -26.027 -14.770 1.00 44.10 H new ATOM 1718 N SER A 115 1.242 -18.413 -17.990 1.00 54.30 N ATOM 1719 CA SER A 115 1.318 -16.982 -18.259 1.00 50.32 C ATOM 1720 C SER A 115 2.752 -16.480 -18.122 1.00 24.11 C ATOM 1721 O SER A 115 3.666 -17.250 -17.827 1.00 43.12 O ATOM 1722 CB SER A 115 0.403 -16.212 -17.305 1.00 73.32 C ATOM 1723 OG SER A 115 -0.895 -16.781 -17.275 1.00 23.24 O ATOM 0 H SER A 115 1.067 -18.650 -17.013 1.00 54.30 H new ATOM 0 HA SER A 115 0.987 -16.812 -19.284 1.00 50.32 H new ATOM 0 HB2 SER A 115 0.830 -16.218 -16.302 1.00 73.32 H new ATOM 0 HB3 SER A 115 0.340 -15.170 -17.618 1.00 73.32 H new ATOM 0 HG SER A 115 -1.461 -16.273 -16.657 1.00 23.24 H new ATOM 1729 N TYR A 116 2.941 -15.183 -18.339 1.00 51.11 N ATOM 1730 CA TYR A 116 4.263 -14.576 -18.242 1.00 44.22 C ATOM 1731 C TYR A 116 4.733 -14.521 -16.792 1.00 31.31 C ATOM 1732 O TYR A 116 3.946 -14.256 -15.883 1.00 23.43 O ATOM 1733 CB TYR A 116 4.246 -13.167 -18.838 1.00 65.40 C ATOM 1734 CG TYR A 116 3.411 -12.186 -18.047 1.00 71.35 C ATOM 1735 CD1 TYR A 116 3.940 -11.520 -16.948 1.00 61.42 C ATOM 1736 CD2 TYR A 116 2.093 -11.923 -18.401 1.00 11.14 C ATOM 1737 CE1 TYR A 116 3.180 -10.624 -16.222 1.00 43.15 C ATOM 1738 CE2 TYR A 116 1.327 -11.026 -17.681 1.00 2.33 C ATOM 1739 CZ TYR A 116 1.875 -10.379 -16.593 1.00 73.22 C ATOM 1740 OH TYR A 116 1.115 -9.486 -15.874 1.00 0.32 O ATOM 0 H TYR A 116 2.195 -14.532 -18.583 1.00 51.11 H new ATOM 0 HA TYR A 116 4.960 -15.194 -18.808 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.269 -12.795 -18.899 1.00 65.40 H new ATOM 0 HB3 TYR A 116 3.864 -13.217 -19.858 1.00 65.40 H new ATOM 0 HD1 TYR A 116 4.963 -11.706 -16.657 1.00 61.42 H new ATOM 0 HD2 TYR A 116 1.661 -12.428 -19.252 1.00 11.14 H new ATOM 0 HE1 TYR A 116 3.606 -10.118 -15.368 1.00 43.15 H new ATOM 0 HE2 TYR A 116 0.304 -10.832 -17.969 1.00 2.33 H new ATOM 0 HH TYR A 116 0.219 -9.428 -16.267 1.00 0.32 H new ATOM 1750 N SER A 117 6.021 -14.773 -16.583 1.00 62.40 N ATOM 1751 CA SER A 117 6.597 -14.756 -15.244 1.00 41.11 C ATOM 1752 C SER A 117 6.621 -13.339 -14.681 1.00 1.43 C ATOM 1753 O SER A 117 6.881 -12.375 -15.402 1.00 74.14 O ATOM 1754 CB SER A 117 8.014 -15.332 -15.267 1.00 43.31 C ATOM 1755 OG SER A 117 8.828 -14.644 -16.201 1.00 60.44 O ATOM 0 H SER A 117 6.686 -14.992 -17.325 1.00 62.40 H new ATOM 0 HA SER A 117 5.972 -15.374 -14.599 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.455 -15.261 -14.273 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.976 -16.391 -15.523 1.00 43.31 H new ATOM 0 HG SER A 117 9.729 -15.029 -16.196 1.00 60.44 H new ATOM 1761 N THR A 118 6.347 -13.218 -13.385 1.00 44.23 N ATOM 1762 CA THR A 118 6.335 -11.919 -12.724 1.00 62.12 C ATOM 1763 C THR A 118 7.280 -11.903 -11.528 1.00 51.22 C ATOM 1764 O THR A 118 7.312 -12.845 -10.737 1.00 52.03 O ATOM 1765 CB THR A 118 4.919 -11.543 -12.251 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.942 -12.280 -12.993 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.671 -10.051 -12.418 1.00 30.23 C ATOM 0 H THR A 118 6.130 -14.005 -12.773 1.00 44.23 H new ATOM 0 HA THR A 118 6.670 -11.187 -13.458 1.00 62.12 H new ATOM 0 HB THR A 118 4.835 -11.793 -11.193 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.770 -11.829 -13.846 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.664 -9.809 -12.077 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.398 -9.493 -11.828 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.773 -9.781 -13.469 1.00 30.23 H new ATOM 1775 N MET A 119 8.048 -10.826 -11.401 1.00 51.10 N ATOM 1776 CA MET A 119 8.992 -10.687 -10.299 1.00 43.42 C ATOM 1777 C MET A 119 9.016 -9.252 -9.782 1.00 2.14 C ATOM 1778 O MET A 119 8.675 -8.315 -10.503 1.00 61.44 O ATOM 1779 CB MET A 119 10.395 -11.103 -10.746 1.00 20.41 C ATOM 1780 CG MET A 119 11.225 -11.730 -9.637 1.00 61.24 C ATOM 1781 SD MET A 119 12.335 -13.016 -10.242 1.00 43.35 S ATOM 1782 CE MET A 119 13.106 -13.544 -8.715 1.00 1.53 C ATOM 0 H MET A 119 8.035 -10.037 -12.047 1.00 51.10 H new ATOM 0 HA MET A 119 8.667 -11.341 -9.490 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.310 -11.812 -11.570 1.00 20.41 H new ATOM 0 HB3 MET A 119 10.919 -10.228 -11.131 1.00 20.41 H new ATOM 0 HG2 MET A 119 11.810 -10.954 -9.143 1.00 61.24 H new ATOM 0 HG3 MET A 119 10.559 -12.154 -8.886 1.00 61.24 H new ATOM 0 HE1 MET A 119 14.188 -13.574 -8.845 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.855 -12.843 -7.919 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.745 -14.538 -8.450 1.00 1.53 H new ATOM 1792 N ALA A 120 9.422 -9.087 -8.526 1.00 51.45 N ATOM 1793 CA ALA A 120 9.491 -7.766 -7.913 1.00 71.34 C ATOM 1794 C ALA A 120 10.773 -7.604 -7.103 1.00 72.32 C ATOM 1795 O ALA A 120 11.063 -8.405 -6.214 1.00 32.22 O ATOM 1796 CB ALA A 120 8.274 -7.529 -7.033 1.00 12.35 C ATOM 0 H ALA A 120 9.708 -9.852 -7.914 1.00 51.45 H new ATOM 0 HA ALA A 120 9.499 -7.022 -8.710 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.339 -6.539 -6.582 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.370 -7.594 -7.638 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.240 -8.284 -6.248 1.00 12.35 H new ATOM 1802 N VAL A 121 11.538 -6.563 -7.416 1.00 53.02 N ATOM 1803 CA VAL A 121 12.789 -6.296 -6.716 1.00 21.22 C ATOM 1804 C VAL A 121 12.785 -4.903 -6.096 1.00 45.24 C ATOM 1805 O VAL A 121 12.228 -3.962 -6.661 1.00 55.42 O ATOM 1806 CB VAL A 121 13.999 -6.422 -7.661 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.300 -6.324 -6.879 1.00 73.31 C ATOM 1808 CG2 VAL A 121 13.932 -7.727 -8.440 1.00 33.42 C ATOM 0 H VAL A 121 11.313 -5.891 -8.150 1.00 53.02 H new ATOM 0 HA VAL A 121 12.875 -7.042 -5.926 1.00 21.22 H new ATOM 0 HB VAL A 121 13.969 -5.598 -8.374 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.144 -6.415 -7.563 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.347 -5.361 -6.371 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.343 -7.126 -6.142 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.794 -7.800 -9.103 1.00 33.42 H new ATOM 0 HG22 VAL A 121 13.937 -8.566 -7.745 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.017 -7.751 -9.032 1.00 33.42 H new ATOM 1818 N VAL A 122 13.411 -4.778 -4.931 1.00 24.04 N ATOM 1819 CA VAL A 122 13.482 -3.500 -4.233 1.00 52.24 C ATOM 1820 C VAL A 122 14.902 -2.945 -4.246 1.00 2.02 C ATOM 1821 O VAL A 122 15.799 -3.490 -3.602 1.00 64.54 O ATOM 1822 CB VAL A 122 13.005 -3.629 -2.774 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.919 -2.258 -2.118 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.664 -4.344 -2.714 1.00 53.13 C ATOM 0 H VAL A 122 13.877 -5.547 -4.450 1.00 24.04 H new ATOM 0 HA VAL A 122 12.822 -2.813 -4.763 1.00 52.24 H new ATOM 0 HB VAL A 122 13.733 -4.224 -2.222 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.580 -2.368 -1.088 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.902 -1.787 -2.129 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.213 -1.635 -2.667 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.342 -4.427 -1.676 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.924 -3.778 -3.280 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.764 -5.341 -3.143 1.00 53.13 H new ATOM 1834 N THR A 123 15.100 -1.855 -4.981 1.00 65.41 N ATOM 1835 CA THR A 123 16.411 -1.227 -5.078 1.00 45.23 C ATOM 1836 C THR A 123 16.573 -0.128 -4.033 1.00 73.22 C ATOM 1837 O THR A 123 15.592 0.466 -3.589 1.00 50.41 O ATOM 1838 CB THR A 123 16.645 -0.627 -6.478 1.00 11.34 C ATOM 1839 OG1 THR A 123 15.676 0.396 -6.740 1.00 23.43 O ATOM 1840 CG2 THR A 123 16.556 -1.703 -7.549 1.00 1.51 C ATOM 0 H THR A 123 14.368 -1.389 -5.518 1.00 65.41 H new ATOM 0 HA THR A 123 17.149 -2.008 -4.898 1.00 45.23 H new ATOM 0 HB THR A 123 17.645 -0.195 -6.502 1.00 11.34 H new ATOM 0 HG1 THR A 123 15.832 0.774 -7.631 1.00 23.43 H new ATOM 0 HG21 THR A 123 16.724 -1.256 -8.529 1.00 1.51 H new ATOM 0 HG22 THR A 123 17.313 -2.465 -7.363 1.00 1.51 H new ATOM 0 HG23 THR A 123 15.567 -2.160 -7.524 1.00 1.51 H new ATOM 1848 N ASN A 124 17.816 0.136 -3.647 1.00 2.14 N ATOM 1849 CA ASN A 124 18.106 1.163 -2.654 1.00 14.35 C ATOM 1850 C ASN A 124 18.133 2.548 -3.295 1.00 21.24 C ATOM 1851 O ASN A 124 18.363 2.699 -4.496 1.00 34.35 O ATOM 1852 CB ASN A 124 19.445 0.879 -1.970 1.00 43.11 C ATOM 1853 CG ASN A 124 19.761 -0.602 -1.911 1.00 33.41 C ATOM 1854 OD1 ASN A 124 19.348 -1.300 -0.984 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.497 -1.091 -2.903 1.00 53.22 N ATOM 0 H ASN A 124 18.639 -0.347 -4.007 1.00 2.14 H new ATOM 0 HA ASN A 124 17.313 1.143 -1.906 1.00 14.35 H new ATOM 0 HB2 ASN A 124 20.241 1.396 -2.506 1.00 43.11 H new ATOM 0 HB3 ASN A 124 19.426 1.284 -0.958 1.00 43.11 H new ATOM 0 HD21 ASN A 124 20.741 -2.081 -2.917 1.00 53.22 H new ATOM 0 HD22 ASN A 124 20.818 -0.476 -3.651 1.00 53.22 H new ATOM 1862 N PRO A 125 17.893 3.584 -2.478 1.00 1.24 N ATOM 1863 CA PRO A 125 17.886 4.974 -2.943 1.00 4.12 C ATOM 1864 C PRO A 125 19.279 5.467 -3.319 1.00 22.32 C ATOM 1865 O PRO A 125 20.124 5.694 -2.452 1.00 40.34 O ATOM 1866 CB PRO A 125 17.353 5.749 -1.735 1.00 23.43 C ATOM 1867 CG PRO A 125 17.696 4.902 -0.559 1.00 21.31 C ATOM 1868 CD PRO A 125 17.612 3.477 -1.036 1.00 10.43 C ATOM 0 HA PRO A 125 17.287 5.099 -3.845 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.815 6.734 -1.662 1.00 23.43 H new ATOM 0 HB3 PRO A 125 16.277 5.906 -1.809 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.696 5.132 -0.191 1.00 21.31 H new ATOM 0 HG3 PRO A 125 17.004 5.079 0.265 1.00 21.31 H new ATOM 0 HD2 PRO A 125 18.339 2.840 -0.531 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.628 3.048 -0.849 1.00 10.43 H new ATOM 1876 N LYS A 126 19.514 5.629 -4.616 1.00 1.50 N ATOM 1877 CA LYS A 126 20.804 6.098 -5.108 1.00 65.42 C ATOM 1878 C LYS A 126 20.655 7.419 -5.856 1.00 33.33 C ATOM 1879 O LYS A 126 21.576 7.861 -6.542 1.00 12.21 O ATOM 1880 CB LYS A 126 21.433 5.047 -6.027 1.00 4.33 C ATOM 1881 CG LYS A 126 20.423 4.305 -6.884 1.00 21.32 C ATOM 1882 CD LYS A 126 19.681 5.249 -7.815 1.00 73.25 C ATOM 1883 CE LYS A 126 20.636 5.971 -8.754 1.00 21.43 C ATOM 1884 NZ LYS A 126 20.242 5.806 -10.180 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.827 5.442 -5.347 1.00 1.50 H new ATOM 0 HA LYS A 126 21.456 6.260 -4.249 1.00 65.42 H new ATOM 0 HB2 LYS A 126 22.160 5.534 -6.677 1.00 4.33 H new ATOM 0 HB3 LYS A 126 21.980 4.326 -5.419 1.00 4.33 H new ATOM 0 HG2 LYS A 126 20.934 3.541 -7.470 1.00 21.32 H new ATOM 0 HG3 LYS A 126 19.709 3.790 -6.242 1.00 21.32 H new ATOM 0 HD2 LYS A 126 18.951 4.687 -8.398 1.00 73.25 H new ATOM 0 HD3 LYS A 126 19.125 5.980 -7.227 1.00 73.25 H new ATOM 0 HE2 LYS A 126 20.659 7.032 -8.504 1.00 21.43 H new ATOM 0 HE3 LYS A 126 21.646 5.588 -8.610 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 20.917 6.312 -10.788 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 20.245 4.796 -10.426 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 19.288 6.195 -10.324 1.00 72.12 H new ATOM 1898 N GLU A 127 19.489 8.044 -5.717 1.00 63.52 N ATOM 1899 CA GLU A 127 19.222 9.314 -6.380 1.00 4.22 C ATOM 1900 C GLU A 127 19.262 10.468 -5.381 1.00 54.22 C ATOM 1901 O GLU A 127 18.610 11.493 -5.577 1.00 33.32 O ATOM 1902 CB GLU A 127 17.860 9.275 -7.077 1.00 12.12 C ATOM 1903 CG GLU A 127 17.650 8.038 -7.933 1.00 23.42 C ATOM 1904 CD GLU A 127 16.853 6.964 -7.220 1.00 72.31 C ATOM 1905 OE1 GLU A 127 16.689 7.064 -5.986 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 16.391 6.021 -7.897 1.00 54.12 O ATOM 0 H GLU A 127 18.716 7.691 -5.152 1.00 63.52 H new ATOM 0 HA GLU A 127 19.999 9.475 -7.127 1.00 4.22 H new ATOM 0 HB2 GLU A 127 17.074 9.323 -6.323 1.00 12.12 H new ATOM 0 HB3 GLU A 127 17.756 10.161 -7.703 1.00 12.12 H new ATOM 0 HG2 GLU A 127 17.134 8.319 -8.851 1.00 23.42 H new ATOM 0 HG3 GLU A 127 18.619 7.633 -8.224 1.00 23.42 H new TER 1913 GLU A 127