USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 702 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 Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00474 USER MOD Single : A 10 SER OG : rot 22:sc= 1.26 USER MOD Single : A 19 TYR OH : rot 88:sc= 0.0499 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 28 SER OG : rot -162:sc= 1.29 USER MOD Single : A 36 CYS SG : rot -29:sc= 0.181 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.072) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0.0674 (180deg=0.065) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 52 MET CE :methyl -169:sc= -1.06 (180deg=-1.2) USER MOD Single : A 59 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.2) USER MOD Single : A 67 THR OG1 : rot -82:sc= 1.24 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -4.05! C(o=-4.1!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 11.047 7.511 -7.308 1.00 22.52 N ATOM 57 CA ASN A 5 11.398 8.857 -7.764 1.00 73.11 C ATOM 58 C ASN A 5 10.441 9.897 -7.194 1.00 10.31 C ATOM 59 O ASN A 5 10.854 10.999 -6.831 1.00 10.11 O ATOM 60 CB ASN A 5 11.405 8.928 -9.295 1.00 53.32 C ATOM 61 CG ASN A 5 11.771 10.308 -9.815 1.00 53.24 C ATOM 62 OD1 ASN A 5 10.900 11.126 -10.111 1.00 40.34 O ATOM 63 ND2 ASN A 5 13.062 10.580 -9.917 1.00 4.12 N ATOM 0 HA ASN A 5 12.401 9.079 -7.400 1.00 73.11 H new ATOM 0 HB2 ASN A 5 12.113 8.197 -9.686 1.00 53.32 H new ATOM 0 HB3 ASN A 5 10.421 8.651 -9.672 1.00 53.32 H new ATOM 0 HD21 ASN A 5 13.366 11.495 -10.251 1.00 4.12 H new ATOM 0 HD22 ASN A 5 13.753 9.875 -9.662 1.00 4.12 H new ATOM 70 N ARG A 6 9.170 9.524 -7.087 1.00 70.34 N ATOM 71 CA ARG A 6 8.140 10.429 -6.585 1.00 45.50 C ATOM 72 C ARG A 6 8.464 10.879 -5.162 1.00 22.34 C ATOM 73 O ARG A 6 8.193 12.021 -4.786 1.00 1.32 O ATOM 74 CB ARG A 6 6.769 9.748 -6.625 1.00 34.52 C ATOM 75 CG ARG A 6 5.618 10.675 -6.271 1.00 35.22 C ATOM 76 CD ARG A 6 4.298 9.926 -6.207 1.00 55.24 C ATOM 77 NE ARG A 6 3.187 10.805 -5.849 1.00 65.22 N ATOM 78 CZ ARG A 6 2.378 10.598 -4.809 1.00 12.53 C ATOM 79 NH1 ARG A 6 2.569 9.551 -4.012 1.00 43.31 N ATOM 80 NH2 ARG A 6 1.382 11.441 -4.562 1.00 11.12 N ATOM 0 H ARG A 6 8.827 8.598 -7.342 1.00 70.34 H new ATOM 0 HA ARG A 6 8.115 11.309 -7.227 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.604 9.342 -7.623 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.771 8.905 -5.934 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.815 11.150 -5.310 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.550 11.471 -7.012 1.00 35.22 H new ATOM 0 HD2 ARG A 6 4.097 9.462 -7.173 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.373 9.121 -5.476 1.00 55.24 H new ATOM 0 HE ARG A 6 3.020 11.627 -6.430 1.00 65.22 H new ATOM 0 HH11 ARG A 6 3.336 8.904 -4.195 1.00 43.31 H new ATOM 0 HH12 ARG A 6 1.949 9.395 -3.217 1.00 43.31 H new ATOM 0 HH21 ARG A 6 1.235 12.248 -5.168 1.00 11.12 H new ATOM 0 HH22 ARG A 6 0.764 11.281 -3.766 1.00 11.12 H new ATOM 94 N PHE A 7 9.069 9.981 -4.388 1.00 61.03 N ATOM 95 CA PHE A 7 9.465 10.285 -3.017 1.00 54.10 C ATOM 96 C PHE A 7 10.442 11.458 -2.995 1.00 14.21 C ATOM 97 O PHE A 7 10.266 12.420 -2.241 1.00 1.24 O ATOM 98 CB PHE A 7 10.098 9.048 -2.364 1.00 72.25 C ATOM 99 CG PHE A 7 10.614 9.286 -0.971 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.740 9.377 0.100 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.974 9.416 -0.735 1.00 4.00 C ATOM 102 CE1 PHE A 7 10.213 9.596 1.381 1.00 13.43 C ATOM 103 CE2 PHE A 7 12.452 9.635 0.543 1.00 61.21 C ATOM 104 CZ PHE A 7 11.571 9.725 1.603 1.00 73.30 C ATOM 0 H PHE A 7 9.296 9.033 -4.689 1.00 61.03 H new ATOM 0 HA PHE A 7 8.578 10.564 -2.449 1.00 54.10 H new ATOM 0 HB2 PHE A 7 9.359 8.247 -2.334 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.920 8.700 -2.990 1.00 72.25 H new ATOM 0 HD1 PHE A 7 8.678 9.276 -0.067 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.668 9.345 -1.560 1.00 4.00 H new ATOM 0 HE1 PHE A 7 9.521 9.666 2.208 1.00 13.43 H new ATOM 0 HE2 PHE A 7 13.514 9.736 0.713 1.00 61.21 H new ATOM 0 HZ PHE A 7 11.942 9.896 2.603 1.00 73.30 H new ATOM 114 N LEU A 8 11.455 11.385 -3.848 1.00 52.30 N ATOM 115 CA LEU A 8 12.459 12.435 -3.936 1.00 12.42 C ATOM 116 C LEU A 8 11.810 13.749 -4.350 1.00 4.34 C ATOM 117 O LEU A 8 12.119 14.805 -3.800 1.00 54.30 O ATOM 118 CB LEU A 8 13.551 12.048 -4.935 1.00 73.45 C ATOM 119 CG LEU A 8 14.305 10.757 -4.607 1.00 4.01 C ATOM 120 CD1 LEU A 8 15.329 10.454 -5.688 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.978 10.860 -3.245 1.00 0.01 C ATOM 0 H LEU A 8 11.603 10.607 -4.490 1.00 52.30 H new ATOM 0 HA LEU A 8 12.916 12.562 -2.954 1.00 12.42 H new ATOM 0 HB2 LEU A 8 13.099 11.945 -5.922 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.270 12.864 -4.997 1.00 73.45 H new ATOM 0 HG LEU A 8 13.587 9.937 -4.571 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.857 9.533 -5.441 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.823 10.336 -6.646 1.00 63.33 H new ATOM 0 HD13 LEU A 8 16.043 11.275 -5.754 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.509 9.932 -3.030 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.685 11.690 -3.250 1.00 0.01 H new ATOM 0 HD23 LEU A 8 14.223 11.032 -2.478 1.00 0.01 H new ATOM 133 N THR A 9 10.890 13.666 -5.304 1.00 50.43 N ATOM 134 CA THR A 9 10.169 14.833 -5.788 1.00 11.00 C ATOM 135 C THR A 9 9.410 15.525 -4.650 1.00 63.12 C ATOM 136 O THR A 9 9.462 16.753 -4.512 1.00 22.31 O ATOM 137 CB THR A 9 9.183 14.433 -6.901 1.00 3.51 C ATOM 138 OG1 THR A 9 9.837 13.562 -7.832 1.00 24.21 O ATOM 139 CG2 THR A 9 8.662 15.657 -7.638 1.00 32.31 C ATOM 0 H THR A 9 10.625 12.793 -5.760 1.00 50.43 H new ATOM 0 HA THR A 9 10.902 15.532 -6.191 1.00 11.00 H new ATOM 0 HB THR A 9 8.338 13.921 -6.440 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.208 13.307 -8.539 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.968 15.344 -8.418 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.147 16.313 -6.936 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.497 16.193 -8.089 1.00 32.31 H new ATOM 147 N SER A 10 8.717 14.737 -3.829 1.00 65.42 N ATOM 148 CA SER A 10 7.976 15.286 -2.699 1.00 14.20 C ATOM 149 C SER A 10 8.917 15.854 -1.634 1.00 60.34 C ATOM 150 O SER A 10 8.595 16.849 -0.985 1.00 33.45 O ATOM 151 CB SER A 10 7.037 14.233 -2.100 1.00 14.00 C ATOM 152 OG SER A 10 7.657 12.959 -2.009 1.00 11.13 O ATOM 0 H SER A 10 8.654 13.724 -3.926 1.00 65.42 H new ATOM 0 HA SER A 10 7.368 16.111 -3.071 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.719 14.553 -1.108 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.139 14.157 -2.713 1.00 14.00 H new ATOM 0 HG SER A 10 8.631 13.069 -2.006 1.00 11.13 H new ATOM 158 N ILE A 11 10.083 15.232 -1.465 1.00 41.21 N ATOM 159 CA ILE A 11 11.092 15.750 -0.543 1.00 43.24 C ATOM 160 C ILE A 11 11.556 17.133 -0.997 1.00 34.21 C ATOM 161 O ILE A 11 11.565 18.083 -0.215 1.00 51.11 O ATOM 162 CB ILE A 11 12.312 14.804 -0.431 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.898 13.463 0.186 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.424 15.444 0.391 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.292 13.586 1.569 1.00 53.14 C ATOM 0 H ILE A 11 10.351 14.376 -1.950 1.00 41.21 H new ATOM 0 HA ILE A 11 10.630 15.819 0.442 1.00 43.24 H new ATOM 0 HB ILE A 11 12.692 14.623 -1.437 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.179 12.977 -0.473 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.772 12.813 0.239 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.270 14.759 0.455 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.743 16.370 -0.087 1.00 53.04 H new ATOM 0 HG23 ILE A 11 13.056 15.661 1.394 1.00 53.04 H new ATOM 0 HD11 ILE A 11 11.025 12.596 1.939 1.00 53.14 H new ATOM 0 HD12 ILE A 11 12.016 14.042 2.244 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.399 14.209 1.521 1.00 53.14 H new ATOM 177 N VAL A 12 11.918 17.230 -2.274 1.00 21.55 N ATOM 178 CA VAL A 12 12.298 18.501 -2.887 1.00 14.34 C ATOM 179 C VAL A 12 11.218 19.555 -2.652 1.00 13.44 C ATOM 180 O VAL A 12 11.509 20.680 -2.233 1.00 43.23 O ATOM 181 CB VAL A 12 12.523 18.338 -4.411 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.744 19.685 -5.081 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.702 17.417 -4.685 1.00 24.24 C ATOM 0 H VAL A 12 11.956 16.434 -2.911 1.00 21.55 H new ATOM 0 HA VAL A 12 13.229 18.824 -2.422 1.00 14.34 H new ATOM 0 HB VAL A 12 11.623 17.890 -4.832 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.899 19.539 -6.150 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.870 20.317 -4.924 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.622 20.166 -4.650 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.843 17.316 -5.761 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.603 17.837 -4.239 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.506 16.436 -4.251 1.00 24.24 H new ATOM 193 N ALA A 13 9.973 19.168 -2.906 1.00 44.22 N ATOM 194 CA ALA A 13 8.836 20.060 -2.729 1.00 63.42 C ATOM 195 C ALA A 13 8.734 20.554 -1.290 1.00 5.15 C ATOM 196 O ALA A 13 8.603 21.750 -1.056 1.00 60.31 O ATOM 197 CB ALA A 13 7.552 19.365 -3.140 1.00 50.45 C ATOM 0 H ALA A 13 9.726 18.236 -3.237 1.00 44.22 H new ATOM 0 HA ALA A 13 8.990 20.928 -3.370 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.711 20.044 -3.002 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.615 19.074 -4.188 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.406 18.477 -2.525 1.00 50.45 H new ATOM 203 N TRP A 14 8.802 19.625 -0.338 1.00 34.42 N ATOM 204 CA TRP A 14 8.737 19.959 1.083 1.00 42.25 C ATOM 205 C TRP A 14 9.838 20.947 1.458 1.00 70.10 C ATOM 206 O TRP A 14 9.568 22.001 2.043 1.00 3.04 O ATOM 207 CB TRP A 14 8.856 18.678 1.924 1.00 32.24 C ATOM 208 CG TRP A 14 8.999 18.918 3.401 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.233 19.736 4.181 1.00 2.33 C ATOM 210 CD2 TRP A 14 9.962 18.316 4.278 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.665 19.688 5.485 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.726 18.823 5.571 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.000 17.399 4.094 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.495 18.444 6.672 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.759 17.022 5.186 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.504 17.542 6.460 1.00 73.14 C ATOM 0 H TRP A 14 8.903 18.628 -0.528 1.00 34.42 H new ATOM 0 HA TRP A 14 7.776 20.431 1.288 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.974 18.061 1.752 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.717 18.107 1.576 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.407 20.334 3.825 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.262 20.211 6.263 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.206 16.992 3.115 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.302 18.847 7.655 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.563 16.313 5.054 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.115 17.226 7.293 1.00 73.14 H new ATOM 227 N LEU A 15 11.068 20.614 1.086 1.00 2.10 N ATOM 228 CA LEU A 15 12.223 21.433 1.426 1.00 34.45 C ATOM 229 C LEU A 15 12.057 22.857 0.917 1.00 0.13 C ATOM 230 O LEU A 15 12.179 23.815 1.682 1.00 34.54 O ATOM 231 CB LEU A 15 13.505 20.824 0.852 1.00 11.03 C ATOM 232 CG LEU A 15 13.800 19.391 1.299 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.180 18.961 0.828 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.679 19.266 2.811 1.00 64.45 C ATOM 0 H LEU A 15 11.291 19.778 0.546 1.00 2.10 H new ATOM 0 HA LEU A 15 12.298 21.461 2.513 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.442 20.843 -0.236 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.347 21.456 1.134 1.00 11.03 H new ATOM 0 HG LEU A 15 13.063 18.728 0.845 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.374 17.939 1.154 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.224 19.009 -0.260 1.00 61.44 H new ATOM 0 HD13 LEU A 15 15.933 19.626 1.251 1.00 61.44 H new ATOM 0 HD21 LEU A 15 13.892 18.240 3.109 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.391 19.939 3.290 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.667 19.530 3.118 1.00 64.45 H new ATOM 246 N ARG A 16 11.766 22.999 -0.370 1.00 2.41 N ATOM 247 CA ARG A 16 11.629 24.324 -0.954 1.00 31.15 C ATOM 248 C ARG A 16 10.350 25.013 -0.476 1.00 5.31 C ATOM 249 O ARG A 16 10.299 26.235 -0.401 1.00 11.03 O ATOM 250 CB ARG A 16 11.697 24.273 -2.482 1.00 12.41 C ATOM 251 CG ARG A 16 10.541 23.571 -3.173 1.00 75.42 C ATOM 252 CD ARG A 16 10.776 23.545 -4.672 1.00 13.34 C ATOM 253 NE ARG A 16 9.626 23.065 -5.427 1.00 41.44 N ATOM 254 CZ ARG A 16 9.336 23.482 -6.658 1.00 71.15 C ATOM 255 NH1 ARG A 16 10.075 24.424 -7.234 1.00 44.40 N ATOM 256 NH2 ARG A 16 8.305 22.969 -7.311 1.00 61.31 N ATOM 0 H ARG A 16 11.623 22.226 -1.019 1.00 2.41 H new ATOM 0 HA ARG A 16 12.473 24.922 -0.610 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.754 25.294 -2.858 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.623 23.775 -2.769 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.442 22.554 -2.794 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.606 24.086 -2.951 1.00 75.42 H new ATOM 0 HD2 ARG A 16 11.031 24.549 -5.010 1.00 13.34 H new ATOM 0 HD3 ARG A 16 11.635 22.909 -4.887 1.00 13.34 H new ATOM 0 HE ARG A 16 9.013 22.376 -4.991 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.866 24.829 -6.733 1.00 44.40 H new ATOM 0 HH12 ARG A 16 9.851 24.742 -8.177 1.00 44.40 H new ATOM 0 HH21 ARG A 16 7.729 22.251 -6.871 1.00 61.31 H new ATOM 0 HH22 ARG A 16 8.087 23.292 -8.254 1.00 61.31 H new ATOM 270 N ALA A 17 9.330 24.235 -0.135 1.00 2.12 N ATOM 271 CA ALA A 17 8.105 24.799 0.426 1.00 33.54 C ATOM 272 C ALA A 17 8.403 25.463 1.762 1.00 24.54 C ATOM 273 O ALA A 17 7.802 26.478 2.110 1.00 1.33 O ATOM 274 CB ALA A 17 7.034 23.733 0.594 1.00 34.13 C ATOM 0 H ALA A 17 9.324 23.220 -0.235 1.00 2.12 H new ATOM 0 HA ALA A 17 7.725 25.548 -0.269 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.135 24.184 1.014 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.801 23.295 -0.377 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.397 22.955 1.266 1.00 34.13 H new ATOM 280 N GLY A 18 9.334 24.872 2.507 1.00 51.14 N ATOM 281 CA GLY A 18 9.787 25.472 3.748 1.00 30.22 C ATOM 282 C GLY A 18 10.430 26.832 3.537 1.00 44.24 C ATOM 283 O GLY A 18 10.373 27.696 4.414 1.00 11.14 O ATOM 0 H GLY A 18 9.783 23.987 2.272 1.00 51.14 H new ATOM 0 HA2 GLY A 18 8.941 25.575 4.428 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.503 24.806 4.229 1.00 30.22 H new ATOM 287 N TYR A 19 11.034 27.033 2.369 1.00 34.05 N ATOM 288 CA TYR A 19 11.690 28.297 2.056 1.00 45.12 C ATOM 289 C TYR A 19 11.395 28.726 0.625 1.00 10.22 C ATOM 290 O TYR A 19 12.224 28.546 -0.270 1.00 41.13 O ATOM 291 CB TYR A 19 13.206 28.203 2.258 1.00 74.13 C ATOM 292 CG TYR A 19 13.647 28.264 3.702 1.00 10.41 C ATOM 293 CD1 TYR A 19 13.753 27.113 4.468 1.00 61.34 C ATOM 294 CD2 TYR A 19 13.966 29.478 4.294 1.00 25.43 C ATOM 295 CE1 TYR A 19 14.162 27.170 5.785 1.00 73.24 C ATOM 296 CE2 TYR A 19 14.374 29.543 5.611 1.00 22.44 C ATOM 297 CZ TYR A 19 14.472 28.386 6.352 1.00 34.14 C ATOM 298 OH TYR A 19 14.885 28.445 7.663 1.00 52.11 O ATOM 0 H TYR A 19 11.082 26.337 1.625 1.00 34.05 H new ATOM 0 HA TYR A 19 11.290 29.044 2.742 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.562 27.270 1.821 1.00 74.13 H new ATOM 0 HB3 TYR A 19 13.685 29.014 1.710 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.512 26.157 4.027 1.00 61.34 H new ATOM 0 HD2 TYR A 19 13.894 30.387 3.715 1.00 25.43 H new ATOM 0 HE1 TYR A 19 14.239 26.264 6.369 1.00 73.24 H new ATOM 0 HE2 TYR A 19 14.615 30.496 6.058 1.00 22.44 H new ATOM 0 HH TYR A 19 15.858 28.335 7.705 1.00 52.11 H new ATOM 308 N PRO A 20 10.207 29.305 0.385 1.00 2.25 N ATOM 309 CA PRO A 20 9.817 29.787 -0.945 1.00 33.00 C ATOM 310 C PRO A 20 10.589 31.044 -1.331 1.00 63.40 C ATOM 311 O PRO A 20 10.419 31.598 -2.418 1.00 22.41 O ATOM 312 CB PRO A 20 8.326 30.090 -0.790 1.00 62.04 C ATOM 313 CG PRO A 20 8.146 30.383 0.659 1.00 43.04 C ATOM 314 CD PRO A 20 9.147 29.529 1.388 1.00 11.52 C ATOM 0 HA PRO A 20 10.029 29.063 -1.732 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.029 30.939 -1.405 1.00 62.04 H new ATOM 0 HB3 PRO A 20 7.716 29.242 -1.101 1.00 62.04 H new ATOM 0 HG2 PRO A 20 8.312 31.440 0.866 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.130 30.152 0.980 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.533 30.032 2.274 1.00 11.52 H new ATOM 0 HD3 PRO A 20 8.706 28.590 1.722 1.00 11.52 H new ATOM 322 N GLU A 21 11.435 31.484 -0.412 1.00 2.11 N ATOM 323 CA GLU A 21 12.271 32.654 -0.609 1.00 73.24 C ATOM 324 C GLU A 21 13.719 32.231 -0.835 1.00 20.44 C ATOM 325 O GLU A 21 14.600 33.065 -1.041 1.00 40.30 O ATOM 326 CB GLU A 21 12.177 33.550 0.624 1.00 43.24 C ATOM 327 CG GLU A 21 10.752 33.937 0.980 1.00 22.23 C ATOM 328 CD GLU A 21 10.634 34.477 2.386 1.00 20.12 C ATOM 329 OE1 GLU A 21 10.853 35.689 2.583 1.00 52.40 O ATOM 330 OE2 GLU A 21 10.320 33.691 3.303 1.00 51.00 O ATOM 0 H GLU A 21 11.560 31.036 0.496 1.00 2.11 H new ATOM 0 HA GLU A 21 11.927 33.202 -1.486 1.00 73.24 H new ATOM 0 HB2 GLU A 21 12.629 33.037 1.473 1.00 43.24 H new ATOM 0 HB3 GLU A 21 12.759 34.455 0.452 1.00 43.24 H new ATOM 0 HG2 GLU A 21 10.396 34.688 0.275 1.00 22.23 H new ATOM 0 HG3 GLU A 21 10.105 33.066 0.873 1.00 22.23 H new ATOM 337 N GLY A 22 13.952 30.924 -0.802 1.00 34.52 N ATOM 338 CA GLY A 22 15.297 30.399 -0.931 1.00 33.44 C ATOM 339 C GLY A 22 15.973 30.248 0.415 1.00 53.53 C ATOM 340 O GLY A 22 15.885 31.140 1.259 1.00 11.30 O ATOM 0 H GLY A 22 13.228 30.215 -0.687 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.263 29.431 -1.431 1.00 33.44 H new ATOM 0 HA3 GLY A 22 15.888 31.063 -1.562 1.00 33.44 H new ATOM 344 N ILE A 23 16.638 29.121 0.620 1.00 21.02 N ATOM 345 CA ILE A 23 17.325 28.856 1.878 1.00 2.44 C ATOM 346 C ILE A 23 18.653 29.605 1.923 1.00 35.10 C ATOM 347 O ILE A 23 19.450 29.512 0.992 1.00 4.14 O ATOM 348 CB ILE A 23 17.600 27.346 2.070 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.335 26.528 1.794 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.114 27.074 3.483 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.565 25.031 1.796 1.00 33.31 C ATOM 0 H ILE A 23 16.717 28.373 -0.069 1.00 21.02 H new ATOM 0 HA ILE A 23 16.672 29.199 2.681 1.00 2.44 H new ATOM 0 HB ILE A 23 18.367 27.043 1.357 1.00 73.03 H new ATOM 0 HG12 ILE A 23 15.584 26.772 2.545 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.926 26.823 0.827 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.303 26.007 3.602 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.039 27.627 3.646 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.367 27.394 4.210 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.625 24.518 1.594 1.00 33.31 H new ATOM 0 HD12 ILE A 23 17.292 24.774 1.026 1.00 33.31 H new ATOM 0 HD13 ILE A 23 16.944 24.722 2.770 1.00 33.31 H new ATOM 363 N PRO A 24 18.879 30.400 2.975 1.00 3.32 N ATOM 364 CA PRO A 24 20.174 31.022 3.212 1.00 71.45 C ATOM 365 C PRO A 24 21.201 30.008 3.726 1.00 31.25 C ATOM 366 O PRO A 24 20.863 29.113 4.503 1.00 10.15 O ATOM 367 CB PRO A 24 19.890 32.105 4.257 1.00 34.22 C ATOM 368 CG PRO A 24 18.573 31.763 4.878 1.00 32.44 C ATOM 369 CD PRO A 24 17.878 30.764 3.989 1.00 74.45 C ATOM 0 HA PRO A 24 20.606 31.430 2.298 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.678 32.133 5.010 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.856 33.091 3.794 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.719 31.347 5.875 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.963 32.659 4.993 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.553 29.891 4.555 1.00 74.45 H new ATOM 0 HD3 PRO A 24 16.989 31.195 3.529 1.00 74.45 H new ATOM 377 N PRO A 25 22.475 30.164 3.309 1.00 35.02 N ATOM 378 CA PRO A 25 23.552 29.182 3.546 1.00 12.04 C ATOM 379 C PRO A 25 23.683 28.723 4.999 1.00 11.40 C ATOM 380 O PRO A 25 24.164 27.618 5.264 1.00 22.20 O ATOM 381 CB PRO A 25 24.829 29.926 3.115 1.00 2.20 C ATOM 382 CG PRO A 25 24.422 31.350 2.939 1.00 24.32 C ATOM 383 CD PRO A 25 22.974 31.319 2.559 1.00 72.20 C ATOM 0 HA PRO A 25 23.351 28.264 2.994 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.611 29.832 3.869 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.229 29.515 2.188 1.00 2.20 H new ATOM 0 HG2 PRO A 25 24.572 31.916 3.858 1.00 24.32 H new ATOM 0 HG3 PRO A 25 25.018 31.834 2.166 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.461 32.238 2.841 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.839 31.195 1.485 1.00 72.20 H new ATOM 391 N THR A 26 23.263 29.563 5.934 1.00 51.12 N ATOM 392 CA THR A 26 23.365 29.239 7.344 1.00 71.04 C ATOM 393 C THR A 26 22.445 28.079 7.718 1.00 51.20 C ATOM 394 O THR A 26 22.891 27.084 8.297 1.00 74.44 O ATOM 395 CB THR A 26 23.052 30.470 8.209 1.00 21.22 C ATOM 396 OG1 THR A 26 22.099 31.305 7.537 1.00 52.23 O ATOM 397 CG2 THR A 26 24.316 31.263 8.502 1.00 51.12 C ATOM 0 H THR A 26 22.848 30.474 5.738 1.00 51.12 H new ATOM 0 HA THR A 26 24.392 28.929 7.537 1.00 71.04 H new ATOM 0 HB THR A 26 22.634 30.128 9.156 1.00 21.22 H new ATOM 0 HG1 THR A 26 21.901 32.088 8.092 1.00 52.23 H new ATOM 0 HG21 THR A 26 24.068 32.129 9.116 1.00 51.12 H new ATOM 0 HG22 THR A 26 25.026 30.631 9.036 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.761 31.598 7.565 1.00 51.12 H new ATOM 405 N ASP A 27 21.171 28.181 7.356 1.00 40.23 N ATOM 406 CA ASP A 27 20.217 27.130 7.679 1.00 64.21 C ATOM 407 C ASP A 27 20.154 26.070 6.592 1.00 23.45 C ATOM 408 O ASP A 27 19.446 25.078 6.738 1.00 13.20 O ATOM 409 CB ASP A 27 18.820 27.683 7.983 1.00 62.14 C ATOM 410 CG ASP A 27 18.368 28.763 7.037 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.847 29.908 7.177 1.00 22.33 O ATOM 412 OD2 ASP A 27 17.503 28.487 6.191 1.00 12.42 O ATOM 0 H ASP A 27 20.779 28.972 6.845 1.00 40.23 H new ATOM 0 HA ASP A 27 20.583 26.655 8.589 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.102 26.864 7.952 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.810 28.077 8.999 1.00 62.14 H new ATOM 417 N SER A 28 20.901 26.257 5.513 1.00 54.23 N ATOM 418 CA SER A 28 21.091 25.186 4.544 1.00 53.34 C ATOM 419 C SER A 28 21.817 24.023 5.223 1.00 42.43 C ATOM 420 O SER A 28 21.500 22.845 5.007 1.00 42.13 O ATOM 421 CB SER A 28 21.889 25.691 3.340 1.00 4.45 C ATOM 422 OG SER A 28 21.285 26.845 2.783 1.00 12.42 O ATOM 0 H SER A 28 21.380 27.129 5.288 1.00 54.23 H new ATOM 0 HA SER A 28 20.121 24.844 4.183 1.00 53.34 H new ATOM 0 HB2 SER A 28 22.910 25.921 3.645 1.00 4.45 H new ATOM 0 HB3 SER A 28 21.951 24.907 2.585 1.00 4.45 H new ATOM 0 HG SER A 28 21.619 26.982 1.872 1.00 12.42 H new ATOM 428 N PHE A 29 22.770 24.373 6.084 1.00 42.55 N ATOM 429 CA PHE A 29 23.486 23.385 6.878 1.00 4.12 C ATOM 430 C PHE A 29 22.544 22.782 7.914 1.00 35.43 C ATOM 431 O PHE A 29 22.666 21.616 8.294 1.00 12.15 O ATOM 432 CB PHE A 29 24.704 24.013 7.566 1.00 33.34 C ATOM 433 CG PHE A 29 25.806 24.428 6.624 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.636 24.366 5.248 1.00 24.54 C ATOM 435 CD2 PHE A 29 27.018 24.880 7.122 1.00 60.53 C ATOM 436 CE1 PHE A 29 26.650 24.747 4.391 1.00 25.20 C ATOM 437 CE2 PHE A 29 28.035 25.262 6.270 1.00 42.44 C ATOM 438 CZ PHE A 29 27.851 25.196 4.903 1.00 14.20 C ATOM 0 H PHE A 29 23.063 25.336 6.248 1.00 42.55 H new ATOM 0 HA PHE A 29 23.845 22.597 6.215 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.377 24.886 8.131 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.107 23.301 8.286 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.699 24.015 4.842 1.00 24.54 H new ATOM 0 HD2 PHE A 29 27.169 24.934 8.190 1.00 60.53 H new ATOM 0 HE1 PHE A 29 26.504 24.694 3.322 1.00 25.20 H new ATOM 0 HE2 PHE A 29 28.974 25.612 6.672 1.00 42.44 H new ATOM 0 HZ PHE A 29 28.645 25.495 4.235 1.00 14.20 H new ATOM 448 N ALA A 30 21.595 23.589 8.357 1.00 14.21 N ATOM 449 CA ALA A 30 20.560 23.122 9.256 1.00 35.22 C ATOM 450 C ALA A 30 19.680 22.098 8.550 1.00 13.34 C ATOM 451 O ALA A 30 19.349 21.055 9.114 1.00 31.42 O ATOM 452 CB ALA A 30 19.733 24.295 9.745 1.00 43.15 C ATOM 0 H ALA A 30 21.522 24.575 8.106 1.00 14.21 H new ATOM 0 HA ALA A 30 21.022 22.642 10.118 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.957 23.936 10.421 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.376 24.999 10.273 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.271 24.794 8.894 1.00 43.15 H new ATOM 458 N VAL A 31 19.318 22.401 7.305 1.00 22.11 N ATOM 459 CA VAL A 31 18.545 21.483 6.479 1.00 35.35 C ATOM 460 C VAL A 31 19.268 20.148 6.348 1.00 24.34 C ATOM 461 O VAL A 31 18.682 19.094 6.599 1.00 23.22 O ATOM 462 CB VAL A 31 18.279 22.062 5.069 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.570 21.045 4.185 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.458 23.338 5.158 1.00 4.31 C ATOM 0 H VAL A 31 19.551 23.282 6.846 1.00 22.11 H new ATOM 0 HA VAL A 31 17.585 21.335 6.975 1.00 35.35 H new ATOM 0 HB VAL A 31 19.244 22.296 4.619 1.00 1.31 H new ATOM 0 HG11 VAL A 31 17.395 21.478 3.200 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.191 20.155 4.085 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.616 20.773 4.636 1.00 65.31 H new ATOM 0 HG21 VAL A 31 17.282 23.728 4.156 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.502 23.123 5.636 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.000 24.079 5.746 1.00 4.31 H new ATOM 474 N LEU A 32 20.548 20.192 5.979 1.00 10.50 N ATOM 475 CA LEU A 32 21.322 18.965 5.818 1.00 25.41 C ATOM 476 C LEU A 32 21.388 18.193 7.139 1.00 40.04 C ATOM 477 O LEU A 32 21.260 16.967 7.154 1.00 73.03 O ATOM 478 CB LEU A 32 22.728 19.266 5.252 1.00 30.42 C ATOM 479 CG LEU A 32 23.761 19.838 6.229 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.452 18.722 6.992 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.783 20.684 5.493 1.00 45.32 C ATOM 0 H LEU A 32 21.063 21.051 5.789 1.00 10.50 H new ATOM 0 HA LEU A 32 20.816 18.329 5.092 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.130 18.343 4.835 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.618 19.968 4.425 1.00 30.42 H new ATOM 0 HG LEU A 32 23.237 20.473 6.944 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.181 19.149 7.680 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.712 18.153 7.555 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.960 18.061 6.289 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.507 21.081 6.205 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.299 20.071 4.754 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.278 21.509 4.991 1.00 45.32 H new ATOM 493 N ALA A 33 21.553 18.916 8.247 1.00 25.31 N ATOM 494 CA ALA A 33 21.641 18.291 9.564 1.00 12.22 C ATOM 495 C ALA A 33 20.353 17.553 9.918 1.00 4.10 C ATOM 496 O ALA A 33 20.387 16.452 10.470 1.00 40.14 O ATOM 497 CB ALA A 33 21.959 19.332 10.626 1.00 3.22 C ATOM 0 H ALA A 33 21.628 19.933 8.257 1.00 25.31 H new ATOM 0 HA ALA A 33 22.449 17.560 9.531 1.00 12.22 H new ATOM 0 HB1 ALA A 33 22.021 18.849 11.601 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.912 19.808 10.395 1.00 3.22 H new ATOM 0 HB3 ALA A 33 21.172 20.086 10.644 1.00 3.22 H new ATOM 503 N LEU A 34 19.219 18.170 9.616 1.00 53.14 N ATOM 504 CA LEU A 34 17.922 17.557 9.873 1.00 63.15 C ATOM 505 C LEU A 34 17.657 16.394 8.916 1.00 74.13 C ATOM 506 O LEU A 34 17.277 15.307 9.345 1.00 75.13 O ATOM 507 CB LEU A 34 16.799 18.600 9.776 1.00 2.44 C ATOM 508 CG LEU A 34 16.463 19.343 11.078 1.00 20.15 C ATOM 509 CD1 LEU A 34 16.004 18.366 12.148 1.00 40.53 C ATOM 510 CD2 LEU A 34 17.652 20.149 11.578 1.00 2.14 C ATOM 0 H LEU A 34 19.170 19.096 9.192 1.00 53.14 H new ATOM 0 HA LEU A 34 17.939 17.159 10.888 1.00 63.15 H new ATOM 0 HB2 LEU A 34 17.076 19.336 9.021 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.897 18.103 9.420 1.00 2.44 H new ATOM 0 HG LEU A 34 15.651 20.037 10.863 1.00 20.15 H new ATOM 0 HD11 LEU A 34 15.771 18.911 13.063 1.00 40.53 H new ATOM 0 HD12 LEU A 34 15.114 17.839 11.802 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.797 17.646 12.347 1.00 40.53 H new ATOM 0 HD21 LEU A 34 17.381 20.663 12.501 1.00 2.14 H new ATOM 0 HD22 LEU A 34 18.491 19.480 11.768 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.937 20.883 10.824 1.00 2.14 H new ATOM 522 N LEU A 35 17.881 16.623 7.627 1.00 33.13 N ATOM 523 CA LEU A 35 17.581 15.626 6.601 1.00 40.52 C ATOM 524 C LEU A 35 18.442 14.373 6.745 1.00 5.24 C ATOM 525 O LEU A 35 17.983 13.266 6.455 1.00 72.35 O ATOM 526 CB LEU A 35 17.754 16.222 5.200 1.00 55.52 C ATOM 527 CG LEU A 35 16.486 16.816 4.574 1.00 3.21 C ATOM 528 CD1 LEU A 35 15.452 15.727 4.327 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.901 17.910 5.457 1.00 64.40 C ATOM 0 H LEU A 35 18.271 17.493 7.265 1.00 33.13 H new ATOM 0 HA LEU A 35 16.541 15.331 6.740 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.514 17.002 5.247 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.135 15.445 4.538 1.00 55.52 H new ATOM 0 HG LEU A 35 16.760 17.261 3.618 1.00 3.21 H new ATOM 0 HD11 LEU A 35 14.559 16.167 3.883 1.00 51.22 H new ATOM 0 HD12 LEU A 35 15.865 14.980 3.649 1.00 51.22 H new ATOM 0 HD13 LEU A 35 15.190 15.252 5.273 1.00 51.22 H new ATOM 0 HD21 LEU A 35 15.003 18.314 4.989 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.647 17.494 6.432 1.00 64.40 H new ATOM 0 HD23 LEU A 35 16.634 18.707 5.583 1.00 64.40 H new ATOM 541 N CYS A 36 19.677 14.541 7.209 1.00 33.14 N ATOM 542 CA CYS A 36 20.598 13.415 7.368 1.00 11.42 C ATOM 543 C CYS A 36 20.095 12.422 8.421 1.00 12.21 C ATOM 544 O CYS A 36 20.572 11.288 8.499 1.00 70.34 O ATOM 545 CB CYS A 36 21.998 13.915 7.746 1.00 4.50 C ATOM 546 SG CYS A 36 23.251 12.612 7.826 1.00 54.32 S ATOM 0 H CYS A 36 20.065 15.444 7.482 1.00 33.14 H new ATOM 0 HA CYS A 36 20.650 12.896 6.411 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.313 14.663 7.019 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.945 14.413 8.714 1.00 4.50 H new ATOM 0 HG CYS A 36 22.686 11.485 8.144 1.00 54.32 H new ATOM 552 N ARG A 37 19.122 12.843 9.222 1.00 51.20 N ATOM 553 CA ARG A 37 18.562 11.982 10.258 1.00 34.43 C ATOM 554 C ARG A 37 17.585 10.978 9.649 1.00 14.35 C ATOM 555 O ARG A 37 17.330 9.914 10.216 1.00 42.53 O ATOM 556 CB ARG A 37 17.862 12.822 11.328 1.00 32.30 C ATOM 557 CG ARG A 37 18.730 13.948 11.870 1.00 43.23 C ATOM 558 CD ARG A 37 18.022 14.733 12.961 1.00 5.05 C ATOM 559 NE ARG A 37 18.718 15.983 13.275 1.00 43.43 N ATOM 560 CZ ARG A 37 19.090 16.344 14.506 1.00 2.44 C ATOM 561 NH1 ARG A 37 18.949 15.501 15.521 1.00 61.42 N ATOM 562 NH2 ARG A 37 19.636 17.537 14.716 1.00 55.24 N ATOM 0 H ARG A 37 18.705 13.773 9.174 1.00 51.20 H new ATOM 0 HA ARG A 37 19.378 11.431 10.726 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.949 13.245 10.909 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.563 12.174 12.152 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.658 13.534 12.265 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.002 14.621 11.057 1.00 43.23 H new ATOM 0 HD2 ARG A 37 17.003 14.955 12.645 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.951 14.121 13.860 1.00 5.05 H new ATOM 0 HE ARG A 37 18.932 16.617 12.506 1.00 43.43 H new ATOM 0 HH11 ARG A 37 18.555 14.573 15.363 1.00 61.42 H new ATOM 0 HH12 ARG A 37 19.234 15.781 16.460 1.00 61.42 H new ATOM 0 HH21 ARG A 37 19.772 18.180 13.936 1.00 55.24 H new ATOM 0 HH22 ARG A 37 19.919 17.810 15.657 1.00 55.24 H new ATOM 576 N ARG A 38 17.055 11.317 8.481 1.00 2.53 N ATOM 577 CA ARG A 38 16.117 10.448 7.782 1.00 2.05 C ATOM 578 C ARG A 38 16.787 9.779 6.586 1.00 61.41 C ATOM 579 O ARG A 38 16.640 8.574 6.375 1.00 11.31 O ATOM 580 CB ARG A 38 14.888 11.248 7.327 1.00 23.14 C ATOM 581 CG ARG A 38 13.969 10.497 6.370 1.00 24.55 C ATOM 582 CD ARG A 38 13.402 9.230 6.993 1.00 5.44 C ATOM 583 NE ARG A 38 12.479 9.514 8.089 1.00 52.14 N ATOM 584 CZ ARG A 38 11.784 8.583 8.744 1.00 24.15 C ATOM 585 NH1 ARG A 38 11.966 7.296 8.476 1.00 53.54 N ATOM 586 NH2 ARG A 38 10.924 8.947 9.686 1.00 25.01 N ATOM 0 H ARG A 38 17.260 12.191 7.996 1.00 2.53 H new ATOM 0 HA ARG A 38 15.793 9.669 8.472 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.315 11.543 8.206 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.225 12.165 6.844 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.150 11.150 6.069 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.521 10.240 5.466 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.885 8.651 6.227 1.00 5.44 H new ATOM 0 HD3 ARG A 38 14.221 8.612 7.362 1.00 5.44 H new ATOM 0 HE ARG A 38 12.358 10.487 8.371 1.00 52.14 H new ATOM 0 HH11 ARG A 38 12.641 7.014 7.765 1.00 53.54 H new ATOM 0 HH12 ARG A 38 11.431 6.589 8.981 1.00 53.54 H new ATOM 0 HH21 ARG A 38 10.797 9.935 9.906 1.00 25.01 H new ATOM 0 HH22 ARG A 38 10.390 8.239 10.190 1.00 25.01 H new ATOM 600 N LEU A 39 17.530 10.560 5.817 1.00 65.23 N ATOM 601 CA LEU A 39 18.138 10.065 4.593 1.00 20.15 C ATOM 602 C LEU A 39 19.653 9.981 4.732 1.00 65.21 C ATOM 603 O LEU A 39 20.257 10.726 5.504 1.00 43.15 O ATOM 604 CB LEU A 39 17.769 10.976 3.420 1.00 10.31 C ATOM 605 CG LEU A 39 16.271 11.098 3.133 1.00 51.21 C ATOM 606 CD1 LEU A 39 16.024 12.114 2.029 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.687 9.745 2.751 1.00 20.33 C ATOM 0 H LEU A 39 17.726 11.540 6.020 1.00 65.23 H new ATOM 0 HA LEU A 39 17.757 9.062 4.403 1.00 20.15 H new ATOM 0 HB2 LEU A 39 18.167 11.972 3.616 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.265 10.605 2.523 1.00 10.31 H new ATOM 0 HG LEU A 39 15.774 11.443 4.040 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.954 12.189 1.837 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.406 13.087 2.338 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.534 11.795 1.120 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.621 9.852 2.551 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.188 9.371 1.858 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.833 9.041 3.570 1.00 20.33 H new ATOM 619 N SER A 40 20.255 9.060 3.990 1.00 0.33 N ATOM 620 CA SER A 40 21.703 8.905 3.971 1.00 2.24 C ATOM 621 C SER A 40 22.368 10.140 3.367 1.00 60.02 C ATOM 622 O SER A 40 21.736 10.890 2.617 1.00 20.13 O ATOM 623 CB SER A 40 22.075 7.662 3.165 1.00 31.30 C ATOM 624 OG SER A 40 21.379 6.522 3.639 1.00 44.04 O ATOM 0 H SER A 40 19.757 8.404 3.389 1.00 0.33 H new ATOM 0 HA SER A 40 22.058 8.791 4.995 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.842 7.823 2.113 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.149 7.490 3.230 1.00 31.30 H new ATOM 0 HG SER A 40 21.632 5.739 3.106 1.00 44.04 H new ATOM 630 N HIS A 41 23.644 10.346 3.678 1.00 13.31 N ATOM 631 CA HIS A 41 24.357 11.528 3.201 1.00 75.25 C ATOM 632 C HIS A 41 24.450 11.568 1.674 1.00 41.11 C ATOM 633 O HIS A 41 24.488 12.643 1.087 1.00 41.13 O ATOM 634 CB HIS A 41 25.749 11.667 3.846 1.00 10.05 C ATOM 635 CG HIS A 41 26.591 10.424 3.847 1.00 74.22 C ATOM 636 ND1 HIS A 41 26.839 9.697 4.989 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.261 9.797 2.853 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.624 8.679 4.700 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.895 8.715 3.411 1.00 43.23 N ATOM 0 H HIS A 41 24.203 9.716 4.254 1.00 13.31 H new ATOM 0 HA HIS A 41 23.766 12.388 3.515 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.295 12.453 3.324 1.00 10.05 H new ATOM 0 HB3 HIS A 41 25.621 11.998 4.877 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.291 10.092 1.815 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.984 7.940 5.401 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.481 8.047 2.909 1.00 43.23 H new ATOM 648 N ASP A 42 24.464 10.413 1.021 1.00 23.54 N ATOM 649 CA ASP A 42 24.467 10.391 -0.441 1.00 0.05 C ATOM 650 C ASP A 42 23.091 10.743 -0.983 1.00 12.44 C ATOM 651 O ASP A 42 22.968 11.366 -2.040 1.00 21.11 O ATOM 652 CB ASP A 42 24.910 9.034 -0.986 1.00 61.05 C ATOM 653 CG ASP A 42 26.404 8.834 -0.878 1.00 60.32 C ATOM 654 OD1 ASP A 42 27.144 9.413 -1.699 1.00 63.43 O ATOM 655 OD2 ASP A 42 26.843 8.100 0.032 1.00 11.00 O ATOM 0 H ASP A 42 24.473 9.495 1.466 1.00 23.54 H new ATOM 0 HA ASP A 42 25.186 11.139 -0.775 1.00 0.05 H new ATOM 0 HB2 ASP A 42 24.399 8.241 -0.440 1.00 61.05 H new ATOM 0 HB3 ASP A 42 24.608 8.948 -2.030 1.00 61.05 H new ATOM 660 N GLU A 43 22.059 10.361 -0.244 1.00 14.52 N ATOM 661 CA GLU A 43 20.692 10.654 -0.644 1.00 51.01 C ATOM 662 C GLU A 43 20.437 12.154 -0.546 1.00 73.32 C ATOM 663 O GLU A 43 19.912 12.770 -1.474 1.00 20.03 O ATOM 664 CB GLU A 43 19.698 9.881 0.231 1.00 51.22 C ATOM 665 CG GLU A 43 18.264 9.943 -0.272 1.00 54.12 C ATOM 666 CD GLU A 43 18.098 9.297 -1.633 1.00 74.12 C ATOM 667 OE1 GLU A 43 18.407 9.948 -2.647 1.00 44.24 O ATOM 668 OE2 GLU A 43 17.662 8.128 -1.692 1.00 43.22 O ATOM 0 H GLU A 43 22.143 9.849 0.634 1.00 14.52 H new ATOM 0 HA GLU A 43 20.551 10.338 -1.678 1.00 51.01 H new ATOM 0 HB2 GLU A 43 20.010 8.838 0.285 1.00 51.22 H new ATOM 0 HB3 GLU A 43 19.735 10.278 1.245 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.609 9.447 0.444 1.00 54.12 H new ATOM 0 HG3 GLU A 43 17.946 10.984 -0.326 1.00 54.12 H new ATOM 675 N VAL A 44 20.841 12.746 0.574 1.00 12.04 N ATOM 676 CA VAL A 44 20.701 14.182 0.762 1.00 64.12 C ATOM 677 C VAL A 44 21.636 14.942 -0.179 1.00 44.32 C ATOM 678 O VAL A 44 21.312 16.037 -0.629 1.00 4.42 O ATOM 679 CB VAL A 44 20.925 14.623 2.228 1.00 64.34 C ATOM 680 CG1 VAL A 44 19.881 13.997 3.138 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.322 14.274 2.710 1.00 41.02 C ATOM 0 H VAL A 44 21.266 12.254 1.360 1.00 12.04 H new ATOM 0 HA VAL A 44 19.668 14.430 0.516 1.00 64.12 H new ATOM 0 HB VAL A 44 20.822 15.707 2.265 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.054 14.318 4.165 1.00 55.54 H new ATOM 0 HG12 VAL A 44 18.887 14.312 2.822 1.00 55.54 H new ATOM 0 HG13 VAL A 44 19.953 12.911 3.081 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.442 14.599 3.743 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.469 13.196 2.649 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.059 14.776 2.084 1.00 41.02 H new ATOM 691 N LYS A 45 22.800 14.359 -0.472 1.00 40.31 N ATOM 692 CA LYS A 45 23.711 14.936 -1.457 1.00 12.13 C ATOM 693 C LYS A 45 23.039 15.003 -2.825 1.00 13.43 C ATOM 694 O LYS A 45 23.146 16.005 -3.533 1.00 15.20 O ATOM 695 CB LYS A 45 25.013 14.122 -1.531 1.00 61.33 C ATOM 696 CG LYS A 45 25.974 14.580 -2.620 1.00 2.02 C ATOM 697 CD LYS A 45 27.379 14.037 -2.394 1.00 33.13 C ATOM 698 CE LYS A 45 27.407 12.517 -2.297 1.00 75.13 C ATOM 699 NZ LYS A 45 27.039 11.858 -3.578 1.00 24.32 N ATOM 0 H LYS A 45 23.131 13.494 -0.044 1.00 40.31 H new ATOM 0 HA LYS A 45 23.961 15.950 -1.146 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.519 14.179 -0.567 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.764 13.074 -1.699 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.608 14.249 -3.592 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.004 15.669 -2.645 1.00 2.02 H new ATOM 0 HD2 LYS A 45 28.025 14.358 -3.211 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.787 14.464 -1.478 1.00 33.13 H new ATOM 0 HE2 LYS A 45 28.404 12.193 -1.999 1.00 75.13 H new ATOM 0 HE3 LYS A 45 26.720 12.193 -1.515 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 27.057 10.825 -3.455 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 26.084 12.157 -3.860 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 27.719 12.130 -4.316 1.00 24.32 H new ATOM 713 N ALA A 46 22.325 13.940 -3.178 1.00 24.01 N ATOM 714 CA ALA A 46 21.625 13.875 -4.454 1.00 74.23 C ATOM 715 C ALA A 46 20.488 14.894 -4.519 1.00 34.34 C ATOM 716 O ALA A 46 20.400 15.677 -5.469 1.00 23.14 O ATOM 717 CB ALA A 46 21.094 12.471 -4.690 1.00 34.25 C ATOM 0 H ALA A 46 22.216 13.110 -2.596 1.00 24.01 H new ATOM 0 HA ALA A 46 22.337 14.122 -5.242 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.573 12.435 -5.647 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.925 11.765 -4.703 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.403 12.204 -3.890 1.00 34.25 H new ATOM 723 N VAL A 47 19.634 14.896 -3.497 1.00 63.11 N ATOM 724 CA VAL A 47 18.482 15.792 -3.470 1.00 5.15 C ATOM 725 C VAL A 47 18.922 17.255 -3.392 1.00 71.40 C ATOM 726 O VAL A 47 18.297 18.129 -3.988 1.00 3.44 O ATOM 727 CB VAL A 47 17.508 15.453 -2.310 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.146 15.689 -0.951 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.216 16.246 -2.440 1.00 1.32 C ATOM 0 H VAL A 47 19.718 14.290 -2.681 1.00 63.11 H new ATOM 0 HA VAL A 47 17.943 15.643 -4.406 1.00 5.15 H new ATOM 0 HB VAL A 47 17.273 14.391 -2.383 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.432 15.440 -0.166 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.030 15.060 -0.850 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.434 16.736 -0.861 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.549 15.992 -1.616 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.439 17.313 -2.411 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.733 16.002 -3.386 1.00 1.32 H new ATOM 739 N ALA A 48 20.016 17.520 -2.686 1.00 53.54 N ATOM 740 CA ALA A 48 20.554 18.871 -2.612 1.00 3.21 C ATOM 741 C ALA A 48 21.063 19.306 -3.977 1.00 22.54 C ATOM 742 O ALA A 48 20.797 20.421 -4.420 1.00 13.30 O ATOM 743 CB ALA A 48 21.664 18.961 -1.577 1.00 15.11 C ATOM 0 H ALA A 48 20.543 16.822 -2.161 1.00 53.54 H new ATOM 0 HA ALA A 48 19.753 19.542 -2.303 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.048 19.981 -1.543 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.271 18.688 -0.598 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.470 18.279 -1.848 1.00 15.11 H new ATOM 749 N ASN A 49 21.772 18.402 -4.645 1.00 73.23 N ATOM 750 CA ASN A 49 22.307 18.663 -5.978 1.00 11.34 C ATOM 751 C ASN A 49 21.189 19.030 -6.951 1.00 21.14 C ATOM 752 O ASN A 49 21.258 20.051 -7.639 1.00 34.35 O ATOM 753 CB ASN A 49 23.066 17.435 -6.496 1.00 24.22 C ATOM 754 CG ASN A 49 23.656 17.645 -7.882 1.00 72.24 C ATOM 755 OD1 ASN A 49 24.037 18.755 -8.249 1.00 13.43 O ATOM 756 ND2 ASN A 49 23.733 16.576 -8.663 1.00 34.41 N ATOM 0 H ASN A 49 21.991 17.474 -4.282 1.00 73.23 H new ATOM 0 HA ASN A 49 22.995 19.505 -5.907 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.867 17.189 -5.799 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.390 16.580 -6.520 1.00 24.22 H new ATOM 0 HD21 ASN A 49 24.119 16.658 -9.604 1.00 34.41 H new ATOM 0 HD22 ASN A 49 23.407 15.671 -8.323 1.00 34.41 H new ATOM 763 N GLU A 50 20.145 18.209 -6.991 1.00 63.12 N ATOM 764 CA GLU A 50 19.055 18.430 -7.931 1.00 22.12 C ATOM 765 C GLU A 50 18.214 19.640 -7.526 1.00 22.40 C ATOM 766 O GLU A 50 17.667 20.333 -8.382 1.00 61.11 O ATOM 767 CB GLU A 50 18.182 17.178 -8.068 1.00 3.54 C ATOM 768 CG GLU A 50 17.431 16.792 -6.806 1.00 54.34 C ATOM 769 CD GLU A 50 16.629 15.521 -6.985 1.00 12.15 C ATOM 770 OE1 GLU A 50 15.471 15.605 -7.448 1.00 72.03 O ATOM 771 OE2 GLU A 50 17.158 14.433 -6.691 1.00 13.25 O ATOM 0 H GLU A 50 20.032 17.393 -6.390 1.00 63.12 H new ATOM 0 HA GLU A 50 19.496 18.640 -8.905 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.461 17.339 -8.869 1.00 3.54 H new ATOM 0 HB3 GLU A 50 18.813 16.342 -8.370 1.00 3.54 H new ATOM 0 HG2 GLU A 50 18.140 16.660 -5.989 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.763 17.604 -6.520 1.00 54.34 H new ATOM 778 N LEU A 51 18.126 19.907 -6.227 1.00 72.23 N ATOM 779 CA LEU A 51 17.374 21.057 -5.742 1.00 55.41 C ATOM 780 C LEU A 51 18.110 22.353 -6.075 1.00 24.41 C ATOM 781 O LEU A 51 17.489 23.354 -6.439 1.00 62.31 O ATOM 782 CB LEU A 51 17.123 20.947 -4.234 1.00 14.10 C ATOM 783 CG LEU A 51 16.285 22.077 -3.621 1.00 34.30 C ATOM 784 CD1 LEU A 51 14.983 22.261 -4.383 1.00 63.41 C ATOM 785 CD2 LEU A 51 15.999 21.790 -2.155 1.00 30.24 C ATOM 0 H LEU A 51 18.563 19.346 -5.496 1.00 72.23 H new ATOM 0 HA LEU A 51 16.407 21.071 -6.244 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.624 19.999 -4.034 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.086 20.914 -3.724 1.00 14.10 H new ATOM 0 HG LEU A 51 16.858 23.001 -3.693 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.407 23.067 -3.929 1.00 63.41 H new ATOM 0 HD12 LEU A 51 15.201 22.511 -5.421 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.406 21.337 -4.346 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.404 22.601 -1.735 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.449 20.853 -2.068 1.00 30.24 H new ATOM 0 HD23 LEU A 51 16.939 21.710 -1.610 1.00 30.24 H new ATOM 797 N MET A 52 19.436 22.327 -5.967 1.00 34.31 N ATOM 798 CA MET A 52 20.252 23.476 -6.348 1.00 22.22 C ATOM 799 C MET A 52 20.149 23.721 -7.847 1.00 41.23 C ATOM 800 O MET A 52 20.132 24.865 -8.298 1.00 64.42 O ATOM 801 CB MET A 52 21.715 23.268 -5.948 1.00 43.15 C ATOM 802 CG MET A 52 21.953 23.315 -4.448 1.00 23.10 C ATOM 803 SD MET A 52 23.680 23.043 -4.010 1.00 2.50 S ATOM 804 CE MET A 52 23.597 23.243 -2.235 1.00 45.22 C ATOM 0 H MET A 52 19.966 21.527 -5.621 1.00 34.31 H new ATOM 0 HA MET A 52 19.875 24.350 -5.818 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.053 22.305 -6.330 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.325 24.033 -6.428 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.633 24.283 -4.063 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.336 22.559 -3.962 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.606 23.300 -1.828 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.057 24.160 -1.997 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.077 22.391 -1.797 1.00 45.22 H new ATOM 814 N ARG A 53 20.073 22.635 -8.609 1.00 0.12 N ATOM 815 CA ARG A 53 19.866 22.716 -10.050 1.00 31.34 C ATOM 816 C ARG A 53 18.473 23.257 -10.360 1.00 53.14 C ATOM 817 O ARG A 53 18.290 24.015 -11.313 1.00 11.32 O ATOM 818 CB ARG A 53 20.046 21.337 -10.694 1.00 43.45 C ATOM 819 CG ARG A 53 19.670 21.272 -12.173 1.00 71.50 C ATOM 820 CD ARG A 53 20.655 22.019 -13.067 1.00 51.30 C ATOM 821 NE ARG A 53 20.591 23.471 -12.896 1.00 54.25 N ATOM 822 CZ ARG A 53 21.448 24.324 -13.457 1.00 53.43 C ATOM 823 NH1 ARG A 53 22.371 23.887 -14.308 1.00 52.52 N ATOM 824 NH2 ARG A 53 21.361 25.620 -13.193 1.00 40.44 N ATOM 0 H ARG A 53 20.152 21.684 -8.250 1.00 0.12 H new ATOM 0 HA ARG A 53 20.608 23.398 -10.465 1.00 31.34 H new ATOM 0 HB2 ARG A 53 21.087 21.032 -10.583 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.442 20.613 -10.147 1.00 43.45 H new ATOM 0 HG2 ARG A 53 19.622 20.229 -12.485 1.00 71.50 H new ATOM 0 HG3 ARG A 53 18.673 21.692 -12.309 1.00 71.50 H new ATOM 0 HD2 ARG A 53 21.667 21.677 -12.850 1.00 51.30 H new ATOM 0 HD3 ARG A 53 20.452 21.772 -14.109 1.00 51.30 H new ATOM 0 HE ARG A 53 19.846 23.853 -12.313 1.00 54.25 H new ATOM 0 HH11 ARG A 53 22.426 22.894 -14.535 1.00 52.52 H new ATOM 0 HH12 ARG A 53 23.024 24.545 -14.734 1.00 52.52 H new ATOM 0 HH21 ARG A 53 20.638 25.964 -12.561 1.00 40.44 H new ATOM 0 HH22 ARG A 53 22.017 26.273 -13.622 1.00 40.44 H new ATOM 838 N LEU A 54 17.498 22.863 -9.549 1.00 71.25 N ATOM 839 CA LEU A 54 16.119 23.296 -9.741 1.00 62.34 C ATOM 840 C LEU A 54 16.006 24.796 -9.468 1.00 22.45 C ATOM 841 O LEU A 54 15.222 25.497 -10.106 1.00 5.15 O ATOM 842 CB LEU A 54 15.192 22.491 -8.818 1.00 64.53 C ATOM 843 CG LEU A 54 13.721 22.403 -9.247 1.00 41.12 C ATOM 844 CD1 LEU A 54 13.040 21.247 -8.534 1.00 41.11 C ATOM 845 CD2 LEU A 54 12.980 23.697 -8.952 1.00 13.34 C ATOM 0 H LEU A 54 17.637 22.243 -8.751 1.00 71.25 H new ATOM 0 HA LEU A 54 15.815 23.115 -10.772 1.00 62.34 H new ATOM 0 HB2 LEU A 54 15.586 21.478 -8.735 1.00 64.53 H new ATOM 0 HB3 LEU A 54 15.233 22.932 -7.822 1.00 64.53 H new ATOM 0 HG LEU A 54 13.695 22.234 -10.324 1.00 41.12 H new ATOM 0 HD11 LEU A 54 11.997 21.192 -8.844 1.00 41.11 H new ATOM 0 HD12 LEU A 54 13.544 20.315 -8.789 1.00 41.11 H new ATOM 0 HD13 LEU A 54 13.090 21.404 -7.457 1.00 41.11 H new ATOM 0 HD21 LEU A 54 11.941 23.601 -9.268 1.00 13.34 H new ATOM 0 HD22 LEU A 54 13.017 23.901 -7.882 1.00 13.34 H new ATOM 0 HD23 LEU A 54 13.450 24.517 -9.494 1.00 13.34 H new ATOM 857 N GLY A 55 16.819 25.286 -8.541 1.00 41.21 N ATOM 858 CA GLY A 55 16.881 26.714 -8.294 1.00 63.30 C ATOM 859 C GLY A 55 16.470 27.100 -6.888 1.00 62.12 C ATOM 860 O GLY A 55 16.869 28.153 -6.394 1.00 34.14 O ATOM 0 H GLY A 55 17.436 24.722 -7.957 1.00 41.21 H new ATOM 0 HA2 GLY A 55 17.897 27.063 -8.476 1.00 63.30 H new ATOM 0 HA3 GLY A 55 16.235 27.227 -9.007 1.00 63.30 H new ATOM 864 N ASP A 56 15.694 26.245 -6.231 1.00 0.02 N ATOM 865 CA ASP A 56 15.151 26.561 -4.906 1.00 15.42 C ATOM 866 C ASP A 56 16.132 26.207 -3.786 1.00 64.31 C ATOM 867 O ASP A 56 15.749 25.651 -2.757 1.00 71.51 O ATOM 868 CB ASP A 56 13.819 25.838 -4.684 1.00 73.02 C ATOM 869 CG ASP A 56 12.684 26.440 -5.490 1.00 5.42 C ATOM 870 OD1 ASP A 56 12.173 27.513 -5.099 1.00 0.31 O ATOM 871 OD2 ASP A 56 12.295 25.848 -6.518 1.00 72.25 O ATOM 0 H ASP A 56 15.425 25.329 -6.589 1.00 0.02 H new ATOM 0 HA ASP A 56 14.985 27.638 -4.875 1.00 15.42 H new ATOM 0 HB2 ASP A 56 13.932 24.787 -4.952 1.00 73.02 H new ATOM 0 HB3 ASP A 56 13.564 25.872 -3.625 1.00 73.02 H new ATOM 876 N PHE A 57 17.391 26.561 -3.991 1.00 41.20 N ATOM 877 CA PHE A 57 18.446 26.344 -3.007 1.00 0.01 C ATOM 878 C PHE A 57 19.571 27.326 -3.306 1.00 54.22 C ATOM 879 O PHE A 57 19.705 27.772 -4.449 1.00 53.24 O ATOM 880 CB PHE A 57 18.973 24.905 -3.103 1.00 1.34 C ATOM 881 CG PHE A 57 19.459 24.299 -1.805 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.275 24.999 -0.923 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.102 23.001 -1.480 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.716 24.413 0.248 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.540 22.413 -0.311 1.00 74.50 C ATOM 886 CZ PHE A 57 20.347 23.119 0.554 1.00 15.54 C ATOM 0 H PHE A 57 17.714 27.009 -4.848 1.00 41.20 H new ATOM 0 HA PHE A 57 18.059 26.499 -2.000 1.00 0.01 H new ATOM 0 HB2 PHE A 57 18.181 24.273 -3.504 1.00 1.34 H new ATOM 0 HB3 PHE A 57 19.792 24.884 -3.822 1.00 1.34 H new ATOM 0 HD1 PHE A 57 20.567 26.012 -1.156 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.470 22.440 -2.153 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.350 24.968 0.924 1.00 53.11 H new ATOM 0 HE2 PHE A 57 19.250 21.400 -0.074 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.690 22.661 1.470 1.00 15.54 H new ATOM 896 N ASP A 58 20.356 27.686 -2.306 1.00 55.52 N ATOM 897 CA ASP A 58 21.506 28.542 -2.536 1.00 42.31 C ATOM 898 C ASP A 58 22.668 27.686 -3.029 1.00 31.30 C ATOM 899 O ASP A 58 22.798 26.519 -2.649 1.00 23.35 O ATOM 900 CB ASP A 58 21.880 29.323 -1.266 1.00 72.43 C ATOM 901 CG ASP A 58 22.467 28.457 -0.170 1.00 71.31 C ATOM 902 OD1 ASP A 58 21.825 27.461 0.222 1.00 3.53 O ATOM 903 OD2 ASP A 58 23.565 28.793 0.317 1.00 11.45 O ATOM 0 H ASP A 58 20.220 27.402 -1.336 1.00 55.52 H new ATOM 0 HA ASP A 58 21.261 29.282 -3.298 1.00 42.31 H new ATOM 0 HB2 ASP A 58 22.598 30.101 -1.526 1.00 72.43 H new ATOM 0 HB3 ASP A 58 20.991 29.825 -0.884 1.00 72.43 H new ATOM 908 N GLN A 59 23.490 28.244 -3.905 1.00 65.13 N ATOM 909 CA GLN A 59 24.537 27.466 -4.554 1.00 61.52 C ATOM 910 C GLN A 59 25.782 27.370 -3.678 1.00 42.02 C ATOM 911 O GLN A 59 26.721 28.159 -3.803 1.00 22.20 O ATOM 912 CB GLN A 59 24.882 28.037 -5.936 1.00 52.04 C ATOM 913 CG GLN A 59 23.828 27.758 -7.006 1.00 33.10 C ATOM 914 CD GLN A 59 22.559 28.581 -6.843 1.00 42.12 C ATOM 915 OE1 GLN A 59 22.592 29.718 -6.367 1.00 43.20 O ATOM 916 NE2 GLN A 59 21.428 28.012 -7.239 1.00 63.24 N ATOM 0 H GLN A 59 23.454 29.225 -4.182 1.00 65.13 H new ATOM 0 HA GLN A 59 24.151 26.457 -4.697 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.019 29.115 -5.848 1.00 52.04 H new ATOM 0 HB3 GLN A 59 25.835 27.620 -6.262 1.00 52.04 H new ATOM 0 HG2 GLN A 59 24.257 27.959 -7.988 1.00 33.10 H new ATOM 0 HG3 GLN A 59 23.570 26.699 -6.982 1.00 33.10 H new ATOM 0 HE21 GLN A 59 21.440 27.069 -7.628 1.00 63.24 H new ATOM 0 HE22 GLN A 59 20.546 28.517 -7.154 1.00 63.24 H new ATOM 925 N ILE A 60 25.758 26.402 -2.778 1.00 73.33 N ATOM 926 CA ILE A 60 26.869 26.132 -1.876 1.00 52.00 C ATOM 927 C ILE A 60 27.294 24.675 -1.991 1.00 62.32 C ATOM 928 O ILE A 60 26.902 23.980 -2.932 1.00 61.30 O ATOM 929 CB ILE A 60 26.480 26.429 -0.413 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.133 25.773 -0.089 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.436 27.928 -0.171 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.682 25.958 1.341 1.00 34.21 C ATOM 0 H ILE A 60 24.963 25.776 -2.650 1.00 73.33 H new ATOM 0 HA ILE A 60 27.696 26.783 -2.161 1.00 52.00 H new ATOM 0 HB ILE A 60 27.234 26.008 0.252 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.373 26.183 -0.754 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.201 24.706 -0.302 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.160 28.121 0.866 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.417 28.358 -0.372 1.00 12.40 H new ATOM 0 HG23 ILE A 60 25.699 28.382 -0.833 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.721 25.464 1.486 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.420 25.522 2.015 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.579 27.022 1.555 1.00 34.21 H new ATOM 944 N ASP A 61 28.106 24.214 -1.052 1.00 74.15 N ATOM 945 CA ASP A 61 28.515 22.821 -1.023 1.00 11.11 C ATOM 946 C ASP A 61 27.935 22.107 0.185 1.00 32.54 C ATOM 947 O ASP A 61 28.468 22.199 1.291 1.00 44.33 O ATOM 948 CB ASP A 61 30.037 22.696 -1.029 1.00 43.43 C ATOM 949 CG ASP A 61 30.629 22.994 -2.387 1.00 44.22 C ATOM 950 OD1 ASP A 61 30.688 22.074 -3.228 1.00 51.15 O ATOM 951 OD2 ASP A 61 31.021 24.152 -2.633 1.00 63.43 O ATOM 0 H ASP A 61 28.494 24.785 -0.301 1.00 74.15 H new ATOM 0 HA ASP A 61 28.126 22.346 -1.924 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.459 23.380 -0.293 1.00 43.43 H new ATOM 0 HB3 ASP A 61 30.318 21.688 -0.725 1.00 43.43 H new ATOM 956 N ILE A 62 26.830 21.411 -0.026 1.00 1.14 N ATOM 957 CA ILE A 62 26.213 20.618 1.024 1.00 44.54 C ATOM 958 C ILE A 62 26.880 19.250 1.086 1.00 35.03 C ATOM 959 O ILE A 62 27.049 18.673 2.161 1.00 21.22 O ATOM 960 CB ILE A 62 24.691 20.454 0.787 1.00 53.15 C ATOM 961 CG1 ILE A 62 23.982 21.806 0.905 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.083 19.450 1.759 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.115 22.450 2.269 1.00 32.22 C ATOM 0 H ILE A 62 26.340 21.379 -0.920 1.00 1.14 H new ATOM 0 HA ILE A 62 26.349 21.138 1.972 1.00 44.54 H new ATOM 0 HB ILE A 62 24.551 20.070 -0.223 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.385 22.484 0.153 1.00 34.35 H new ATOM 0 HG13 ILE A 62 22.924 21.672 0.679 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.014 19.358 1.566 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.561 18.479 1.626 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.239 19.793 2.782 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.587 23.404 2.274 1.00 32.22 H new ATOM 0 HD12 ILE A 62 23.685 21.793 3.025 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.169 22.618 2.491 1.00 32.22 H new ATOM 975 N GLY A 63 27.295 18.765 -0.083 1.00 31.43 N ATOM 976 CA GLY A 63 27.937 17.468 -0.181 1.00 52.11 C ATOM 977 C GLY A 63 29.186 17.373 0.670 1.00 31.22 C ATOM 978 O GLY A 63 29.479 16.321 1.238 1.00 14.54 O ATOM 0 H GLY A 63 27.195 19.255 -0.972 1.00 31.43 H new ATOM 0 HA2 GLY A 63 27.233 16.694 0.125 1.00 52.11 H new ATOM 0 HA3 GLY A 63 28.195 17.271 -1.222 1.00 52.11 H new ATOM 982 N VAL A 64 29.915 18.475 0.766 1.00 13.42 N ATOM 983 CA VAL A 64 31.124 18.522 1.577 1.00 34.32 C ATOM 984 C VAL A 64 30.792 18.423 3.066 1.00 53.31 C ATOM 985 O VAL A 64 31.459 17.712 3.809 1.00 3.43 O ATOM 986 CB VAL A 64 31.929 19.816 1.317 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.175 19.867 2.191 1.00 30.14 C ATOM 988 CG2 VAL A 64 32.307 19.923 -0.153 1.00 21.11 C ATOM 0 H VAL A 64 29.691 19.350 0.292 1.00 13.42 H new ATOM 0 HA VAL A 64 31.733 17.665 1.289 1.00 34.32 H new ATOM 0 HB VAL A 64 31.297 20.665 1.576 1.00 54.13 H new ATOM 0 HG11 VAL A 64 33.724 20.787 1.989 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.884 19.841 3.241 1.00 30.14 H new ATOM 0 HG13 VAL A 64 33.810 19.009 1.969 1.00 30.14 H new ATOM 0 HG21 VAL A 64 32.873 20.840 -0.317 1.00 21.11 H new ATOM 0 HG22 VAL A 64 32.917 19.065 -0.435 1.00 21.11 H new ATOM 0 HG23 VAL A 64 31.402 19.941 -0.761 1.00 21.11 H new ATOM 998 N VAL A 65 29.740 19.110 3.490 1.00 25.53 N ATOM 999 CA VAL A 65 29.398 19.180 4.908 1.00 41.35 C ATOM 1000 C VAL A 65 28.798 17.864 5.405 1.00 15.00 C ATOM 1001 O VAL A 65 29.042 17.449 6.535 1.00 61.02 O ATOM 1002 CB VAL A 65 28.412 20.333 5.198 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.201 20.505 6.697 1.00 52.00 C ATOM 1004 CG2 VAL A 65 28.909 21.629 4.576 1.00 63.33 C ATOM 0 H VAL A 65 29.109 19.626 2.876 1.00 25.53 H new ATOM 0 HA VAL A 65 30.328 19.369 5.443 1.00 41.35 H new ATOM 0 HB VAL A 65 27.452 20.079 4.748 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.503 21.323 6.875 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.795 19.584 7.115 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.154 20.731 7.175 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.202 22.430 4.791 1.00 63.33 H new ATOM 0 HG22 VAL A 65 29.883 21.883 4.994 1.00 63.33 H new ATOM 0 HG23 VAL A 65 28.999 21.504 3.497 1.00 63.33 H new ATOM 1014 N ILE A 66 28.027 17.200 4.556 1.00 60.32 N ATOM 1015 CA ILE A 66 27.371 15.952 4.942 1.00 21.23 C ATOM 1016 C ILE A 66 28.348 14.777 4.947 1.00 32.33 C ATOM 1017 O ILE A 66 28.108 13.757 5.596 1.00 44.40 O ATOM 1018 CB ILE A 66 26.182 15.629 4.017 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.642 15.583 2.559 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.074 16.654 4.202 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.512 15.482 1.563 1.00 22.24 C ATOM 0 H ILE A 66 27.839 17.500 3.599 1.00 60.32 H new ATOM 0 HA ILE A 66 26.999 16.099 5.956 1.00 21.23 H new ATOM 0 HB ILE A 66 25.787 14.648 4.283 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.224 16.479 2.344 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.308 14.731 2.425 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.241 16.412 3.542 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.733 16.638 5.237 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.453 17.647 3.960 1.00 30.33 H new ATOM 0 HD11 ILE A 66 25.919 15.454 0.552 1.00 22.24 H new ATOM 0 HD12 ILE A 66 24.943 14.571 1.750 1.00 22.24 H new ATOM 0 HD13 ILE A 66 24.857 16.347 1.667 1.00 22.24 H new ATOM 1033 N THR A 67 29.447 14.916 4.222 1.00 14.14 N ATOM 1034 CA THR A 67 30.470 13.882 4.201 1.00 50.13 C ATOM 1035 C THR A 67 31.612 14.248 5.143 1.00 71.42 C ATOM 1036 O THR A 67 32.409 13.399 5.544 1.00 32.31 O ATOM 1037 CB THR A 67 31.012 13.657 2.775 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.486 14.895 2.226 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.930 13.074 1.872 1.00 74.34 C ATOM 0 H THR A 67 29.653 15.730 3.643 1.00 14.14 H new ATOM 0 HA THR A 67 30.011 12.953 4.539 1.00 50.13 H new ATOM 0 HB THR A 67 31.838 12.948 2.831 1.00 41.24 H new ATOM 0 HG1 THR A 67 30.730 15.404 1.866 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.334 12.923 0.871 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.595 12.119 2.276 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.087 13.763 1.823 1.00 74.34 H new ATOM 1047 N HIS A 68 31.669 15.521 5.502 1.00 62.10 N ATOM 1048 CA HIS A 68 32.677 16.030 6.416 1.00 75.44 C ATOM 1049 C HIS A 68 32.063 17.136 7.268 1.00 63.13 C ATOM 1050 O HIS A 68 32.059 18.306 6.880 1.00 34.35 O ATOM 1051 CB HIS A 68 33.886 16.556 5.630 1.00 73.14 C ATOM 1052 CG HIS A 68 35.057 16.937 6.483 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.332 18.235 6.850 1.00 65.54 N ATOM 1054 CD2 HIS A 68 36.040 16.180 7.025 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.430 18.261 7.578 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.880 17.028 7.701 1.00 54.52 N ATOM 0 H HIS A 68 31.017 16.230 5.167 1.00 62.10 H new ATOM 0 HA HIS A 68 33.022 15.227 7.068 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.202 15.793 4.919 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.577 17.425 5.049 1.00 73.14 H new ATOM 0 HD2 HIS A 68 36.143 15.108 6.941 1.00 52.12 H new ATOM 0 HE1 HIS A 68 36.885 19.144 8.002 1.00 12.54 H new ATOM 0 HE2 HIS A 68 37.716 16.750 8.215 1.00 54.52 H new ATOM 1065 N PHE A 69 31.515 16.749 8.412 1.00 30.31 N ATOM 1066 CA PHE A 69 30.792 17.677 9.276 1.00 22.22 C ATOM 1067 C PHE A 69 31.733 18.603 10.030 1.00 3.34 C ATOM 1068 O PHE A 69 32.939 18.365 10.107 1.00 14.12 O ATOM 1069 CB PHE A 69 29.927 16.911 10.281 1.00 5.11 C ATOM 1070 CG PHE A 69 28.669 16.338 9.695 1.00 12.44 C ATOM 1071 CD1 PHE A 69 27.499 17.081 9.690 1.00 75.14 C ATOM 1072 CD2 PHE A 69 28.651 15.062 9.156 1.00 70.53 C ATOM 1073 CE1 PHE A 69 26.335 16.562 9.158 1.00 11.41 C ATOM 1074 CE2 PHE A 69 27.489 14.537 8.623 1.00 1.20 C ATOM 1075 CZ PHE A 69 26.329 15.288 8.624 1.00 61.22 C ATOM 0 H PHE A 69 31.557 15.793 8.766 1.00 30.31 H new ATOM 0 HA PHE A 69 30.158 18.285 8.630 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.517 16.101 10.709 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.662 17.580 11.100 1.00 5.11 H new ATOM 0 HD1 PHE A 69 27.498 18.077 10.107 1.00 75.14 H new ATOM 0 HD2 PHE A 69 29.555 14.471 9.152 1.00 70.53 H new ATOM 0 HE1 PHE A 69 25.430 17.152 9.159 1.00 11.41 H new ATOM 0 HE2 PHE A 69 27.488 13.541 8.206 1.00 1.20 H new ATOM 0 HZ PHE A 69 25.420 14.880 8.208 1.00 61.22 H new ATOM 1085 N THR A 70 31.162 19.662 10.577 1.00 73.34 N ATOM 1086 CA THR A 70 31.888 20.575 11.433 1.00 1.43 C ATOM 1087 C THR A 70 31.654 20.174 12.891 1.00 12.24 C ATOM 1088 O THR A 70 30.731 19.414 13.183 1.00 70.15 O ATOM 1089 CB THR A 70 31.414 22.023 11.195 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.261 22.250 9.789 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.404 23.033 11.757 1.00 54.12 C ATOM 0 H THR A 70 30.182 19.910 10.438 1.00 73.34 H new ATOM 0 HA THR A 70 32.952 20.524 11.204 1.00 1.43 H new ATOM 0 HB THR A 70 30.461 22.154 11.708 1.00 44.13 H new ATOM 0 HG1 THR A 70 30.958 23.170 9.637 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.038 24.043 11.572 1.00 54.12 H new ATOM 0 HG22 THR A 70 32.512 22.878 12.830 1.00 54.12 H new ATOM 0 HG23 THR A 70 33.371 22.903 11.272 1.00 54.12 H new ATOM 1099 N ASP A 71 32.489 20.657 13.797 1.00 4.40 N ATOM 1100 CA ASP A 71 32.348 20.312 15.206 1.00 51.42 C ATOM 1101 C ASP A 71 31.380 21.250 15.910 1.00 70.43 C ATOM 1102 O ASP A 71 30.508 20.808 16.660 1.00 25.34 O ATOM 1103 CB ASP A 71 33.705 20.341 15.910 1.00 3.12 C ATOM 1104 CG ASP A 71 34.582 19.172 15.522 1.00 32.33 C ATOM 1105 OD1 ASP A 71 34.493 18.117 16.182 1.00 43.24 O ATOM 1106 OD2 ASP A 71 35.365 19.300 14.560 1.00 55.22 O ATOM 0 H ASP A 71 33.266 21.284 13.587 1.00 4.40 H new ATOM 0 HA ASP A 71 31.945 19.301 15.256 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.217 21.272 15.667 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.551 20.334 16.989 1.00 3.12 H new ATOM 1111 N GLU A 72 31.539 22.543 15.677 1.00 53.51 N ATOM 1112 CA GLU A 72 30.700 23.543 16.323 1.00 25.43 C ATOM 1113 C GLU A 72 29.480 23.866 15.460 1.00 33.41 C ATOM 1114 O GLU A 72 28.454 24.328 15.960 1.00 73.40 O ATOM 1115 CB GLU A 72 31.526 24.802 16.590 1.00 22.45 C ATOM 1116 CG GLU A 72 30.906 25.759 17.589 1.00 12.13 C ATOM 1117 CD GLU A 72 31.867 26.856 17.984 1.00 21.13 C ATOM 1118 OE1 GLU A 72 32.833 26.564 18.718 1.00 34.31 O ATOM 1119 OE2 GLU A 72 31.682 28.009 17.541 1.00 21.12 O ATOM 0 H GLU A 72 32.242 22.926 15.045 1.00 53.51 H new ATOM 0 HA GLU A 72 30.338 23.147 17.272 1.00 25.43 H new ATOM 0 HB2 GLU A 72 32.510 24.506 16.952 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.678 25.328 15.648 1.00 22.45 H new ATOM 0 HG2 GLU A 72 30.007 26.200 17.160 1.00 12.13 H new ATOM 0 HG3 GLU A 72 30.598 25.208 18.478 1.00 12.13 H new ATOM 1126 N LEU A 73 29.601 23.607 14.166 1.00 73.25 N ATOM 1127 CA LEU A 73 28.506 23.828 13.227 1.00 13.42 C ATOM 1128 C LEU A 73 27.904 22.485 12.816 1.00 3.21 C ATOM 1129 O LEU A 73 28.559 21.454 12.953 1.00 21.12 O ATOM 1130 CB LEU A 73 28.991 24.594 11.984 1.00 45.25 C ATOM 1131 CG LEU A 73 29.234 26.098 12.171 1.00 34.40 C ATOM 1132 CD1 LEU A 73 30.449 26.359 13.049 1.00 1.43 C ATOM 1133 CD2 LEU A 73 29.401 26.775 10.818 1.00 14.24 C ATOM 0 H LEU A 73 30.452 23.241 13.738 1.00 73.25 H new ATOM 0 HA LEU A 73 27.744 24.432 13.719 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.918 24.137 11.639 1.00 45.25 H new ATOM 0 HB3 LEU A 73 28.256 24.461 11.190 1.00 45.25 H new ATOM 0 HG LEU A 73 28.364 26.520 12.674 1.00 34.40 H new ATOM 0 HD11 LEU A 73 30.593 27.434 13.161 1.00 1.43 H new ATOM 0 HD12 LEU A 73 30.293 25.910 14.030 1.00 1.43 H new ATOM 0 HD13 LEU A 73 31.333 25.921 12.586 1.00 1.43 H new ATOM 0 HD21 LEU A 73 29.573 27.841 10.964 1.00 14.24 H new ATOM 0 HD22 LEU A 73 30.252 26.338 10.295 1.00 14.24 H new ATOM 0 HD23 LEU A 73 28.498 26.631 10.225 1.00 14.24 H new ATOM 1145 N PRO A 74 26.662 22.464 12.296 1.00 15.30 N ATOM 1146 CA PRO A 74 25.852 23.667 12.058 1.00 74.21 C ATOM 1147 C PRO A 74 25.283 24.264 13.348 1.00 3.21 C ATOM 1148 O PRO A 74 25.221 23.596 14.381 1.00 20.44 O ATOM 1149 CB PRO A 74 24.728 23.153 11.157 1.00 52.45 C ATOM 1150 CG PRO A 74 24.571 21.723 11.538 1.00 33.51 C ATOM 1151 CD PRO A 74 25.948 21.235 11.900 1.00 1.34 C ATOM 0 HA PRO A 74 26.438 24.474 11.619 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.805 23.710 11.317 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.985 23.257 10.103 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.886 21.617 12.379 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.156 21.143 10.714 1.00 33.51 H new ATOM 0 HD2 PRO A 74 25.915 20.511 12.714 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.433 20.744 11.057 1.00 1.34 H new ATOM 1159 N SER A 75 24.873 25.524 13.272 1.00 34.34 N ATOM 1160 CA SER A 75 24.394 26.256 14.436 1.00 31.40 C ATOM 1161 C SER A 75 23.084 25.674 14.980 1.00 52.02 C ATOM 1162 O SER A 75 22.140 25.407 14.225 1.00 0.30 O ATOM 1163 CB SER A 75 24.202 27.725 14.068 1.00 31.21 C ATOM 1164 OG SER A 75 25.364 28.244 13.444 1.00 22.13 O ATOM 0 H SER A 75 24.863 26.064 12.407 1.00 34.34 H new ATOM 0 HA SER A 75 25.142 26.164 15.224 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.348 27.828 13.399 1.00 31.21 H new ATOM 0 HB3 SER A 75 23.976 28.303 14.964 1.00 31.21 H new ATOM 0 HG SER A 75 25.219 29.186 13.215 1.00 22.13 H new ATOM 1170 N PRO A 76 23.016 25.475 16.306 1.00 45.34 N ATOM 1171 CA PRO A 76 21.824 24.942 16.979 1.00 5.21 C ATOM 1172 C PRO A 76 20.600 25.834 16.788 1.00 44.52 C ATOM 1173 O PRO A 76 19.477 25.350 16.632 1.00 51.42 O ATOM 1174 CB PRO A 76 22.233 24.897 18.455 1.00 72.21 C ATOM 1175 CG PRO A 76 23.722 24.901 18.442 1.00 41.55 C ATOM 1176 CD PRO A 76 24.111 25.732 17.258 1.00 65.15 C ATOM 0 HA PRO A 76 21.532 23.972 16.577 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.841 25.756 19.000 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.845 24.004 18.945 1.00 72.21 H new ATOM 0 HG2 PRO A 76 24.121 25.322 19.365 1.00 41.55 H new ATOM 0 HG3 PRO A 76 24.116 23.888 18.357 1.00 41.55 H new ATOM 0 HD2 PRO A 76 24.186 26.789 17.513 1.00 65.15 H new ATOM 0 HD3 PRO A 76 25.078 25.432 16.853 1.00 65.15 H new ATOM 1184 N GLU A 77 20.819 27.139 16.778 1.00 41.22 N ATOM 1185 CA GLU A 77 19.727 28.080 16.591 1.00 22.44 C ATOM 1186 C GLU A 77 19.202 27.998 15.162 1.00 43.15 C ATOM 1187 O GLU A 77 18.018 28.217 14.912 1.00 12.42 O ATOM 1188 CB GLU A 77 20.187 29.501 16.911 1.00 61.33 C ATOM 1189 CG GLU A 77 20.776 29.647 18.306 1.00 22.41 C ATOM 1190 CD GLU A 77 19.840 29.158 19.391 1.00 43.51 C ATOM 1191 OE1 GLU A 77 19.026 29.961 19.894 1.00 3.44 O ATOM 1192 OE2 GLU A 77 19.915 27.965 19.751 1.00 23.01 O ATOM 0 H GLU A 77 21.737 27.568 16.896 1.00 41.22 H new ATOM 0 HA GLU A 77 18.919 27.819 17.275 1.00 22.44 H new ATOM 0 HB2 GLU A 77 20.932 29.808 16.177 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.341 30.180 16.809 1.00 61.33 H new ATOM 0 HG2 GLU A 77 21.711 29.090 18.361 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.018 30.695 18.486 1.00 22.41 H new ATOM 1199 N ASP A 78 20.092 27.663 14.233 1.00 64.10 N ATOM 1200 CA ASP A 78 19.720 27.503 12.831 1.00 20.24 C ATOM 1201 C ASP A 78 18.932 26.217 12.617 1.00 23.41 C ATOM 1202 O ASP A 78 17.933 26.212 11.895 1.00 70.25 O ATOM 1203 CB ASP A 78 20.954 27.521 11.925 1.00 74.32 C ATOM 1204 CG ASP A 78 21.511 28.917 11.733 1.00 33.44 C ATOM 1205 OD1 ASP A 78 22.150 29.437 12.671 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.299 29.498 10.651 1.00 35.31 O ATOM 0 H ASP A 78 21.079 27.497 14.427 1.00 64.10 H new ATOM 0 HA ASP A 78 19.085 28.348 12.564 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.725 26.881 12.354 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.694 27.100 10.954 1.00 74.32 H new ATOM 1211 N VAL A 79 19.368 25.122 13.241 1.00 70.42 N ATOM 1212 CA VAL A 79 18.640 23.858 13.118 1.00 65.40 C ATOM 1213 C VAL A 79 17.253 23.962 13.742 1.00 5.45 C ATOM 1214 O VAL A 79 16.271 23.489 13.175 1.00 24.20 O ATOM 1215 CB VAL A 79 19.397 22.645 13.710 1.00 45.54 C ATOM 1216 CG1 VAL A 79 20.648 22.344 12.902 1.00 25.41 C ATOM 1217 CG2 VAL A 79 19.761 22.852 15.167 1.00 2.33 C ATOM 0 H VAL A 79 20.203 25.083 13.825 1.00 70.42 H new ATOM 0 HA VAL A 79 18.546 23.677 12.047 1.00 65.40 H new ATOM 0 HB VAL A 79 18.719 21.793 13.655 1.00 45.54 H new ATOM 0 HG11 VAL A 79 21.164 21.488 13.336 1.00 25.41 H new ATOM 0 HG12 VAL A 79 20.370 22.117 11.873 1.00 25.41 H new ATOM 0 HG13 VAL A 79 21.308 23.211 12.917 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.290 21.974 15.538 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.402 23.729 15.261 1.00 2.33 H new ATOM 0 HG23 VAL A 79 18.853 23.002 15.751 1.00 2.33 H new ATOM 1227 N GLU A 80 17.174 24.595 14.900 1.00 62.32 N ATOM 1228 CA GLU A 80 15.886 24.874 15.529 1.00 15.51 C ATOM 1229 C GLU A 80 15.043 25.803 14.651 1.00 42.51 C ATOM 1230 O GLU A 80 13.816 25.680 14.594 1.00 73.11 O ATOM 1231 CB GLU A 80 16.098 25.492 16.911 1.00 72.14 C ATOM 1232 CG GLU A 80 16.669 24.521 17.931 1.00 41.52 C ATOM 1233 CD GLU A 80 15.664 23.478 18.379 1.00 51.12 C ATOM 1234 OE1 GLU A 80 15.590 22.400 17.753 1.00 23.22 O ATOM 1235 OE2 GLU A 80 14.955 23.728 19.379 1.00 11.14 O ATOM 0 H GLU A 80 17.983 24.927 15.426 1.00 62.32 H new ATOM 0 HA GLU A 80 15.347 23.934 15.644 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.770 26.346 16.819 1.00 72.14 H new ATOM 0 HB3 GLU A 80 15.146 25.874 17.279 1.00 72.14 H new ATOM 0 HG2 GLU A 80 17.538 24.021 17.503 1.00 41.52 H new ATOM 0 HG3 GLU A 80 17.018 25.078 18.800 1.00 41.52 H new ATOM 1242 N ARG A 81 15.713 26.717 13.953 1.00 50.40 N ATOM 1243 CA ARG A 81 15.041 27.667 13.072 1.00 73.35 C ATOM 1244 C ARG A 81 14.369 26.938 11.912 1.00 24.52 C ATOM 1245 O ARG A 81 13.161 27.074 11.694 1.00 72.03 O ATOM 1246 CB ARG A 81 16.046 28.689 12.531 1.00 51.11 C ATOM 1247 CG ARG A 81 15.404 29.923 11.917 1.00 33.12 C ATOM 1248 CD ARG A 81 14.689 30.752 12.971 1.00 12.04 C ATOM 1249 NE ARG A 81 15.593 31.167 14.045 1.00 54.21 N ATOM 1250 CZ ARG A 81 15.198 31.794 15.154 1.00 1.12 C ATOM 1251 NH1 ARG A 81 13.921 32.122 15.322 1.00 25.34 N ATOM 1252 NH2 ARG A 81 16.084 32.105 16.088 1.00 65.00 N ATOM 0 H ARG A 81 16.727 26.819 13.982 1.00 50.40 H new ATOM 0 HA ARG A 81 14.277 28.189 13.648 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.704 29.000 13.342 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.671 28.206 11.780 1.00 51.11 H new ATOM 0 HG2 ARG A 81 16.168 30.529 11.430 1.00 33.12 H new ATOM 0 HG3 ARG A 81 14.696 29.622 11.145 1.00 33.12 H new ATOM 0 HD2 ARG A 81 14.251 31.634 12.504 1.00 12.04 H new ATOM 0 HD3 ARG A 81 13.867 30.173 13.392 1.00 12.04 H new ATOM 0 HE ARG A 81 16.587 30.964 13.939 1.00 54.21 H new ATOM 0 HH11 ARG A 81 13.237 31.894 14.601 1.00 25.34 H new ATOM 0 HH12 ARG A 81 13.625 32.601 16.172 1.00 25.34 H new ATOM 0 HH21 ARG A 81 17.067 31.865 15.959 1.00 65.00 H new ATOM 0 HH22 ARG A 81 15.783 32.585 16.937 1.00 65.00 H new ATOM 1266 N VAL A 82 15.157 26.154 11.178 1.00 32.54 N ATOM 1267 CA VAL A 82 14.637 25.388 10.050 1.00 71.44 C ATOM 1268 C VAL A 82 13.582 24.393 10.534 1.00 64.30 C ATOM 1269 O VAL A 82 12.593 24.137 9.850 1.00 33.50 O ATOM 1270 CB VAL A 82 15.769 24.644 9.287 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.380 23.530 10.122 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.264 24.094 7.965 1.00 23.43 C ATOM 0 H VAL A 82 16.156 26.034 11.345 1.00 32.54 H new ATOM 0 HA VAL A 82 14.179 26.091 9.354 1.00 71.44 H new ATOM 0 HB VAL A 82 16.551 25.376 9.086 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.166 23.037 9.551 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.803 23.950 11.035 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.609 22.804 10.380 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.076 23.578 7.452 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.449 23.394 8.150 1.00 23.43 H new ATOM 0 HG23 VAL A 82 14.904 24.914 7.343 1.00 23.43 H new ATOM 1282 N ARG A 83 13.792 23.870 11.738 1.00 12.43 N ATOM 1283 CA ARG A 83 12.857 22.947 12.367 1.00 22.25 C ATOM 1284 C ARG A 83 11.491 23.606 12.553 1.00 63.13 C ATOM 1285 O ARG A 83 10.459 23.019 12.235 1.00 31.24 O ATOM 1286 CB ARG A 83 13.426 22.504 13.716 1.00 63.22 C ATOM 1287 CG ARG A 83 12.613 21.449 14.441 1.00 61.31 C ATOM 1288 CD ARG A 83 13.235 21.131 15.790 1.00 74.43 C ATOM 1289 NE ARG A 83 12.574 20.019 16.467 1.00 41.44 N ATOM 1290 CZ ARG A 83 13.008 19.496 17.613 1.00 73.12 C ATOM 1291 NH1 ARG A 83 14.055 20.035 18.234 1.00 20.14 N ATOM 1292 NH2 ARG A 83 12.387 18.448 18.147 1.00 15.30 N ATOM 0 H ARG A 83 14.615 24.075 12.304 1.00 12.43 H new ATOM 0 HA ARG A 83 12.722 22.076 11.725 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.434 22.120 13.559 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.515 23.379 14.360 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.591 21.801 14.579 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.559 20.544 13.836 1.00 61.31 H new ATOM 0 HD2 ARG A 83 14.289 20.892 15.652 1.00 74.43 H new ATOM 0 HD3 ARG A 83 13.189 22.016 16.424 1.00 74.43 H new ATOM 0 HE ARG A 83 11.737 19.622 16.041 1.00 41.44 H new ATOM 0 HH11 ARG A 83 14.524 20.847 17.832 1.00 20.14 H new ATOM 0 HH12 ARG A 83 14.389 19.636 19.111 1.00 20.14 H new ATOM 0 HH21 ARG A 83 11.576 18.043 17.679 1.00 15.30 H new ATOM 0 HH22 ARG A 83 12.721 18.050 19.024 1.00 15.30 H new ATOM 1306 N ALA A 84 11.498 24.835 13.055 1.00 12.14 N ATOM 1307 CA ALA A 84 10.263 25.576 13.285 1.00 60.24 C ATOM 1308 C ALA A 84 9.577 25.937 11.970 1.00 70.42 C ATOM 1309 O ALA A 84 8.358 25.810 11.842 1.00 23.24 O ATOM 1310 CB ALA A 84 10.544 26.834 14.095 1.00 63.52 C ATOM 0 H ALA A 84 12.346 25.340 13.311 1.00 12.14 H new ATOM 0 HA ALA A 84 9.588 24.933 13.850 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.613 27.377 14.259 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.977 26.558 15.056 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.243 27.469 13.550 1.00 63.52 H new ATOM 1316 N ARG A 85 10.366 26.383 10.997 1.00 4.11 N ATOM 1317 CA ARG A 85 9.827 26.801 9.703 1.00 74.14 C ATOM 1318 C ARG A 85 9.239 25.624 8.926 1.00 31.20 C ATOM 1319 O ARG A 85 8.096 25.682 8.477 1.00 12.24 O ATOM 1320 CB ARG A 85 10.912 27.486 8.867 1.00 14.31 C ATOM 1321 CG ARG A 85 11.313 28.863 9.378 1.00 15.44 C ATOM 1322 CD ARG A 85 10.164 29.856 9.275 1.00 12.24 C ATOM 1323 NE ARG A 85 10.573 31.207 9.661 1.00 30.11 N ATOM 1324 CZ ARG A 85 9.876 32.311 9.390 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.710 32.243 8.759 1.00 74.02 N ATOM 1326 NH2 ARG A 85 10.346 33.494 9.760 1.00 62.23 N ATOM 0 H ARG A 85 11.379 26.465 11.078 1.00 4.11 H new ATOM 0 HA ARG A 85 9.022 27.509 9.900 1.00 74.14 H new ATOM 0 HB2 ARG A 85 11.795 26.847 8.844 1.00 14.31 H new ATOM 0 HB3 ARG A 85 10.559 27.580 7.840 1.00 14.31 H new ATOM 0 HG2 ARG A 85 11.636 28.786 10.416 1.00 15.44 H new ATOM 0 HG3 ARG A 85 12.164 29.230 8.805 1.00 15.44 H new ATOM 0 HD2 ARG A 85 9.787 29.869 8.253 1.00 12.24 H new ATOM 0 HD3 ARG A 85 9.343 29.529 9.914 1.00 12.24 H new ATOM 0 HE ARG A 85 11.450 31.311 10.171 1.00 30.11 H new ATOM 0 HH11 ARG A 85 8.336 31.338 8.475 1.00 74.02 H new ATOM 0 HH12 ARG A 85 8.188 33.096 8.559 1.00 74.02 H new ATOM 0 HH21 ARG A 85 11.238 33.558 10.250 1.00 62.23 H new ATOM 0 HH22 ARG A 85 9.816 34.341 9.554 1.00 62.23 H new ATOM 1340 N LEU A 86 10.016 24.552 8.786 1.00 63.41 N ATOM 1341 CA LEU A 86 9.613 23.400 7.973 1.00 3.23 C ATOM 1342 C LEU A 86 8.425 22.663 8.575 1.00 51.33 C ATOM 1343 O LEU A 86 7.677 22.000 7.857 1.00 11.12 O ATOM 1344 CB LEU A 86 10.785 22.433 7.792 1.00 64.25 C ATOM 1345 CG LEU A 86 11.695 22.699 6.586 1.00 51.31 C ATOM 1346 CD1 LEU A 86 10.985 22.339 5.289 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.145 24.153 6.547 1.00 3.31 C ATOM 0 H LEU A 86 10.931 24.454 9.225 1.00 63.41 H new ATOM 0 HA LEU A 86 9.309 23.787 7.000 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.395 22.459 8.695 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.386 21.422 7.706 1.00 64.25 H new ATOM 0 HG LEU A 86 12.578 22.069 6.692 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.647 22.535 4.445 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.717 21.283 5.302 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.082 22.941 5.189 1.00 63.43 H new ATOM 0 HD21 LEU A 86 12.789 24.312 5.682 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.272 24.802 6.474 1.00 3.31 H new ATOM 0 HD23 LEU A 86 12.697 24.388 7.457 1.00 3.31 H new ATOM 1359 N ALA A 87 8.252 22.784 9.886 1.00 64.31 N ATOM 1360 CA ALA A 87 7.139 22.140 10.578 1.00 55.30 C ATOM 1361 C ALA A 87 5.798 22.641 10.044 1.00 40.51 C ATOM 1362 O ALA A 87 4.785 21.946 10.129 1.00 60.31 O ATOM 1363 CB ALA A 87 7.238 22.382 12.075 1.00 2.20 C ATOM 0 H ALA A 87 8.869 23.323 10.493 1.00 64.31 H new ATOM 0 HA ALA A 87 7.197 21.068 10.391 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.402 21.896 12.578 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.175 21.970 12.449 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.208 23.453 12.273 1.00 2.20 H new ATOM 1369 N ALA A 88 5.805 23.843 9.478 1.00 12.20 N ATOM 1370 CA ALA A 88 4.593 24.454 8.957 1.00 35.54 C ATOM 1371 C ALA A 88 4.076 23.714 7.724 1.00 70.35 C ATOM 1372 O ALA A 88 2.874 23.708 7.458 1.00 34.21 O ATOM 1373 CB ALA A 88 4.841 25.919 8.631 1.00 1.20 C ATOM 0 H ALA A 88 6.643 24.414 9.369 1.00 12.20 H new ATOM 0 HA ALA A 88 3.826 24.386 9.729 1.00 35.54 H new ATOM 0 HB1 ALA A 88 3.926 26.365 8.242 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.146 26.446 9.535 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.629 25.997 7.882 1.00 1.20 H new ATOM 1379 N GLN A 89 4.979 23.076 6.988 1.00 43.22 N ATOM 1380 CA GLN A 89 4.605 22.359 5.772 1.00 34.15 C ATOM 1381 C GLN A 89 4.484 20.865 6.045 1.00 43.51 C ATOM 1382 O GLN A 89 4.324 20.060 5.123 1.00 25.11 O ATOM 1383 CB GLN A 89 5.627 22.594 4.651 1.00 71.20 C ATOM 1384 CG GLN A 89 5.819 24.057 4.272 1.00 64.44 C ATOM 1385 CD GLN A 89 6.701 24.808 5.250 1.00 71.20 C ATOM 1386 OE1 GLN A 89 7.608 24.238 5.847 1.00 75.44 O ATOM 1387 NE2 GLN A 89 6.435 26.089 5.428 1.00 62.23 N ATOM 0 H GLN A 89 5.974 23.040 7.211 1.00 43.22 H new ATOM 0 HA GLN A 89 3.638 22.745 5.449 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.588 22.182 4.959 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.312 22.040 3.767 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.258 24.115 3.276 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.846 24.545 4.220 1.00 64.44 H new ATOM 0 HE21 GLN A 89 5.672 26.528 4.913 1.00 62.23 H new ATOM 0 HE22 GLN A 89 6.993 26.640 6.081 1.00 62.23 H new ATOM 1396 N GLY A 90 4.556 20.500 7.313 1.00 41.15 N ATOM 1397 CA GLY A 90 4.488 19.105 7.689 1.00 31.11 C ATOM 1398 C GLY A 90 5.846 18.577 8.087 1.00 31.14 C ATOM 1399 O GLY A 90 6.836 19.304 8.026 1.00 41.14 O ATOM 0 H GLY A 90 4.661 21.148 8.093 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.791 18.983 8.518 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.098 18.520 6.856 1.00 31.11 H new ATOM 1403 N TRP A 91 5.913 17.316 8.480 1.00 1.05 N ATOM 1404 CA TRP A 91 7.170 16.754 8.937 1.00 21.13 C ATOM 1405 C TRP A 91 7.257 15.266 8.610 1.00 24.15 C ATOM 1406 O TRP A 91 6.960 14.417 9.450 1.00 54.32 O ATOM 1407 CB TRP A 91 7.334 16.979 10.442 1.00 54.31 C ATOM 1408 CG TRP A 91 8.757 16.933 10.912 1.00 20.42 C ATOM 1409 CD1 TRP A 91 9.432 15.852 11.402 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.680 18.028 10.940 1.00 12.15 C ATOM 1411 NE1 TRP A 91 10.713 16.211 11.741 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.891 17.540 11.464 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.600 19.374 10.572 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 12.010 18.350 11.629 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.712 20.176 10.737 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.904 19.661 11.261 1.00 15.43 C ATOM 0 H TRP A 91 5.123 16.671 8.492 1.00 1.05 H new ATOM 0 HA TRP A 91 7.980 17.262 8.413 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.907 17.947 10.703 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.760 16.222 10.977 1.00 54.31 H new ATOM 0 HD1 TRP A 91 9.019 14.860 11.507 1.00 65.12 H new ATOM 0 HE1 TRP A 91 11.418 15.588 12.135 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.685 19.779 10.166 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.930 17.956 12.034 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.661 21.218 10.457 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.757 20.314 11.376 1.00 15.43 H new ATOM 1427 N PRO A 92 7.639 14.931 7.369 1.00 64.14 N ATOM 1428 CA PRO A 92 7.878 13.547 6.961 1.00 60.55 C ATOM 1429 C PRO A 92 9.277 13.083 7.355 1.00 0.42 C ATOM 1430 O PRO A 92 9.699 11.973 7.034 1.00 12.41 O ATOM 1431 CB PRO A 92 7.735 13.610 5.442 1.00 45.11 C ATOM 1432 CG PRO A 92 8.184 14.985 5.080 1.00 23.52 C ATOM 1433 CD PRO A 92 7.839 15.874 6.250 1.00 20.11 C ATOM 0 HA PRO A 92 7.196 12.841 7.434 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.347 12.852 4.954 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.704 13.435 5.133 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.256 15.003 4.883 1.00 23.52 H new ATOM 0 HG3 PRO A 92 7.687 15.328 4.173 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.640 16.582 6.463 1.00 20.11 H new ATOM 0 HD3 PRO A 92 6.940 16.459 6.055 1.00 20.11 H new ATOM 1441 N LEU A 93 9.992 13.961 8.047 1.00 21.21 N ATOM 1442 CA LEU A 93 11.344 13.675 8.496 1.00 44.02 C ATOM 1443 C LEU A 93 11.322 12.642 9.616 1.00 73.14 C ATOM 1444 O LEU A 93 12.159 11.744 9.664 1.00 62.40 O ATOM 1445 CB LEU A 93 12.015 14.958 8.982 1.00 23.12 C ATOM 1446 CG LEU A 93 13.505 14.834 9.289 1.00 64.11 C ATOM 1447 CD1 LEU A 93 14.278 14.556 8.014 1.00 64.22 C ATOM 1448 CD2 LEU A 93 14.016 16.095 9.963 1.00 63.12 C ATOM 0 H LEU A 93 9.651 14.886 8.310 1.00 21.21 H new ATOM 0 HA LEU A 93 11.913 13.271 7.659 1.00 44.02 H new ATOM 0 HB2 LEU A 93 11.879 15.730 8.225 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.502 15.300 9.881 1.00 23.12 H new ATOM 0 HG LEU A 93 13.654 13.999 9.974 1.00 64.11 H new ATOM 0 HD11 LEU A 93 15.340 14.469 8.244 1.00 64.22 H new ATOM 0 HD12 LEU A 93 13.926 13.625 7.571 1.00 64.22 H new ATOM 0 HD13 LEU A 93 14.125 15.374 7.310 1.00 64.22 H new ATOM 0 HD21 LEU A 93 15.080 15.989 10.175 1.00 63.12 H new ATOM 0 HD22 LEU A 93 13.861 16.949 9.303 1.00 63.12 H new ATOM 0 HD23 LEU A 93 13.475 16.254 10.896 1.00 63.12 H new