USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 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 94 CYS SG : rot 123:sc= 0.795 USER MOD Set 1.2: A 101 CYS SG : rot 58:sc= 0.401 USER MOD Single : A 5 THR OG1 : rot -27:sc= 0.0535 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -148:sc= 0.775 (180deg=-0.164) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 12 SER OG : rot 55:sc= 0.989 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.2 X(o=-2.2,f=-1.9) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00465 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 45 THR OG1 : rot 78:sc= -0.209 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 22:sc= 0.0153 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00263 X(o=-0.0026,f=0) USER MOD Single : A 58 SER OG : rot 52:sc= 0.208 USER MOD Single : A 61 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-2.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0457) USER MOD Single : A 66 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.1!) USER MOD Single : A 70 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.38!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.37 K(o=-2.4,f=-3.2!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00492 USER MOD Single : A 93 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.267 K(o=-0.27,f=-2!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -16.999 15.032 20.705 1.00 25.31 N ATOM 47 CA THR A 5 -17.155 13.649 21.134 1.00 23.42 C ATOM 48 C THR A 5 -17.511 12.745 19.959 1.00 63.21 C ATOM 49 O THR A 5 -18.008 13.211 18.934 1.00 33.32 O ATOM 50 CB THR A 5 -18.244 13.515 22.217 1.00 52.43 C ATOM 51 OG1 THR A 5 -19.496 13.993 21.714 1.00 52.33 O ATOM 52 CG2 THR A 5 -17.862 14.294 23.466 1.00 54.42 C ATOM 0 HA THR A 5 -16.197 13.339 21.551 1.00 23.42 H new ATOM 0 HB THR A 5 -18.338 12.461 22.480 1.00 52.43 H new ATOM 0 HG1 THR A 5 -19.334 14.664 21.018 1.00 52.33 H new ATOM 0 HG21 THR A 5 -18.645 14.185 24.216 1.00 54.42 H new ATOM 0 HG22 THR A 5 -16.923 13.908 23.863 1.00 54.42 H new ATOM 0 HG23 THR A 5 -17.744 15.348 23.215 1.00 54.42 H new ATOM 60 N ALA A 6 -17.254 11.450 20.114 1.00 54.45 N ATOM 61 CA ALA A 6 -17.549 10.482 19.066 1.00 12.02 C ATOM 62 C ALA A 6 -18.055 9.170 19.658 1.00 42.43 C ATOM 63 O ALA A 6 -17.899 8.914 20.852 1.00 52.22 O ATOM 64 CB ALA A 6 -16.314 10.235 18.211 1.00 64.24 C ATOM 0 H ALA A 6 -16.842 11.048 20.956 1.00 54.45 H new ATOM 0 HA ALA A 6 -18.337 10.895 18.436 1.00 12.02 H new ATOM 0 HB1 ALA A 6 -16.550 9.510 17.432 1.00 64.24 H new ATOM 0 HB2 ALA A 6 -15.997 11.171 17.751 1.00 64.24 H new ATOM 0 HB3 ALA A 6 -15.510 9.847 18.837 1.00 64.24 H new ATOM 70 N THR A 7 -18.663 8.342 18.815 1.00 24.02 N ATOM 71 CA THR A 7 -19.194 7.057 19.254 1.00 44.24 C ATOM 72 C THR A 7 -18.849 5.951 18.263 1.00 43.43 C ATOM 73 O THR A 7 -18.763 6.189 17.058 1.00 1.24 O ATOM 74 CB THR A 7 -20.724 7.113 19.433 1.00 52.52 C ATOM 75 OG1 THR A 7 -21.195 8.446 19.204 1.00 10.23 O ATOM 76 CG2 THR A 7 -21.121 6.662 20.829 1.00 63.43 C ATOM 0 H THR A 7 -18.800 8.538 17.823 1.00 24.02 H new ATOM 0 HA THR A 7 -18.731 6.836 20.216 1.00 44.24 H new ATOM 0 HB THR A 7 -21.178 6.438 18.708 1.00 52.52 H new ATOM 0 HG1 THR A 7 -22.168 8.473 19.318 1.00 10.23 H new ATOM 0 HG21 THR A 7 -22.205 6.710 20.932 1.00 63.43 H new ATOM 0 HG22 THR A 7 -20.786 5.637 20.989 1.00 63.43 H new ATOM 0 HG23 THR A 7 -20.657 7.315 21.568 1.00 63.43 H new ATOM 84 N PHE A 8 -18.654 4.742 18.778 1.00 1.52 N ATOM 85 CA PHE A 8 -18.319 3.599 17.937 1.00 41.40 C ATOM 86 C PHE A 8 -19.573 2.994 17.315 1.00 64.43 C ATOM 87 O PHE A 8 -20.624 2.927 17.953 1.00 5.20 O ATOM 88 CB PHE A 8 -17.578 2.538 18.754 1.00 51.44 C ATOM 89 CG PHE A 8 -17.276 1.288 17.979 1.00 30.22 C ATOM 90 CD1 PHE A 8 -16.492 1.336 16.837 1.00 64.32 C ATOM 91 CD2 PHE A 8 -17.774 0.063 18.393 1.00 11.12 C ATOM 92 CE1 PHE A 8 -16.214 0.187 16.122 1.00 63.42 C ATOM 93 CE2 PHE A 8 -17.498 -1.090 17.682 1.00 64.24 C ATOM 94 CZ PHE A 8 -16.716 -1.028 16.545 1.00 60.43 C ATOM 0 H PHE A 8 -18.722 4.528 19.773 1.00 1.52 H new ATOM 0 HA PHE A 8 -17.670 3.949 17.134 1.00 41.40 H new ATOM 0 HB2 PHE A 8 -16.644 2.962 19.123 1.00 51.44 H new ATOM 0 HB3 PHE A 8 -18.177 2.279 19.627 1.00 51.44 H new ATOM 0 HD1 PHE A 8 -16.094 2.282 16.502 1.00 64.32 H new ATOM 0 HD2 PHE A 8 -18.385 0.008 19.282 1.00 11.12 H new ATOM 0 HE1 PHE A 8 -15.604 0.239 15.232 1.00 63.42 H new ATOM 0 HE2 PHE A 8 -17.893 -2.038 18.015 1.00 64.24 H new ATOM 0 HZ PHE A 8 -16.498 -1.927 15.988 1.00 60.43 H new ATOM 104 N ALA A 9 -19.455 2.554 16.066 1.00 61.43 N ATOM 105 CA ALA A 9 -20.579 1.953 15.359 1.00 3.20 C ATOM 106 C ALA A 9 -20.116 0.810 14.462 1.00 53.32 C ATOM 107 O ALA A 9 -18.978 0.799 13.992 1.00 15.13 O ATOM 108 CB ALA A 9 -21.310 3.006 14.539 1.00 50.14 C ATOM 0 H ALA A 9 -18.593 2.603 15.524 1.00 61.43 H new ATOM 0 HA ALA A 9 -21.265 1.543 16.100 1.00 3.20 H new ATOM 0 HB1 ALA A 9 -22.147 2.543 14.016 1.00 50.14 H new ATOM 0 HB2 ALA A 9 -21.683 3.788 15.200 1.00 50.14 H new ATOM 0 HB3 ALA A 9 -20.624 3.442 13.812 1.00 50.14 H new ATOM 114 N LYS A 10 -21.002 -0.150 14.230 1.00 24.12 N ATOM 115 CA LYS A 10 -20.685 -1.298 13.389 1.00 5.44 C ATOM 116 C LYS A 10 -21.253 -1.118 11.984 1.00 50.41 C ATOM 117 O LYS A 10 -22.300 -0.497 11.801 1.00 52.05 O ATOM 118 CB LYS A 10 -21.239 -2.582 14.013 1.00 42.40 C ATOM 119 CG LYS A 10 -20.171 -3.464 14.636 1.00 31.35 C ATOM 120 CD LYS A 10 -19.210 -4.002 13.589 1.00 3.21 C ATOM 121 CE LYS A 10 -19.923 -4.894 12.584 1.00 34.11 C ATOM 122 NZ LYS A 10 -20.718 -5.959 13.255 1.00 23.34 N ATOM 0 H LYS A 10 -21.947 -0.157 14.613 1.00 24.12 H new ATOM 0 HA LYS A 10 -19.600 -1.374 13.316 1.00 5.44 H new ATOM 0 HB2 LYS A 10 -21.972 -2.319 14.776 1.00 42.40 H new ATOM 0 HB3 LYS A 10 -21.767 -3.150 13.247 1.00 42.40 H new ATOM 0 HG2 LYS A 10 -19.616 -2.894 15.381 1.00 31.35 H new ATOM 0 HG3 LYS A 10 -20.644 -4.296 15.158 1.00 31.35 H new ATOM 0 HD2 LYS A 10 -18.736 -3.171 13.067 1.00 3.21 H new ATOM 0 HD3 LYS A 10 -18.416 -4.566 14.078 1.00 3.21 H new ATOM 0 HE2 LYS A 10 -20.581 -4.287 11.962 1.00 34.11 H new ATOM 0 HE3 LYS A 10 -19.190 -5.352 11.920 1.00 34.11 H new ATOM 0 HZ1 LYS A 10 -20.733 -6.810 12.657 1.00 23.34 H new ATOM 0 HZ2 LYS A 10 -20.286 -6.188 14.173 1.00 23.34 H new ATOM 0 HZ3 LYS A 10 -21.691 -5.624 13.404 1.00 23.34 H new ATOM 136 N THR A 11 -20.555 -1.665 10.994 1.00 33.15 N ATOM 137 CA THR A 11 -20.988 -1.564 9.607 1.00 4.25 C ATOM 138 C THR A 11 -21.434 -2.920 9.070 1.00 60.02 C ATOM 139 O THR A 11 -22.583 -3.089 8.661 1.00 1.43 O ATOM 140 CB THR A 11 -19.867 -1.012 8.706 1.00 25.33 C ATOM 141 OG1 THR A 11 -18.958 -0.225 9.482 1.00 73.21 O ATOM 142 CG2 THR A 11 -20.444 -0.167 7.581 1.00 3.50 C ATOM 0 H THR A 11 -19.687 -2.183 11.128 1.00 33.15 H new ATOM 0 HA THR A 11 -21.831 -0.873 9.589 1.00 4.25 H new ATOM 0 HB THR A 11 -19.334 -1.856 8.268 1.00 25.33 H new ATOM 0 HG1 THR A 11 -18.248 0.121 8.902 1.00 73.21 H new ATOM 0 HG21 THR A 11 -19.634 0.212 6.958 1.00 3.50 H new ATOM 0 HG22 THR A 11 -21.113 -0.777 6.974 1.00 3.50 H new ATOM 0 HG23 THR A 11 -20.999 0.671 8.003 1.00 3.50 H new ATOM 150 N SER A 12 -20.519 -3.884 9.076 1.00 35.11 N ATOM 151 CA SER A 12 -20.818 -5.225 8.587 1.00 75.34 C ATOM 152 C SER A 12 -19.607 -6.141 8.740 1.00 74.03 C ATOM 153 O SER A 12 -18.498 -5.795 8.334 1.00 53.12 O ATOM 154 CB SER A 12 -21.249 -5.171 7.121 1.00 12.32 C ATOM 155 OG SER A 12 -22.660 -5.199 7.002 1.00 31.41 O ATOM 0 H SER A 12 -19.564 -3.761 9.414 1.00 35.11 H new ATOM 0 HA SER A 12 -21.635 -5.630 9.184 1.00 75.34 H new ATOM 0 HB2 SER A 12 -20.860 -4.264 6.658 1.00 12.32 H new ATOM 0 HB3 SER A 12 -20.819 -6.015 6.581 1.00 12.32 H new ATOM 0 HG SER A 12 -23.048 -4.479 7.542 1.00 31.41 H new ATOM 161 N ASP A 13 -19.829 -7.311 9.329 1.00 62.53 N ATOM 162 CA ASP A 13 -18.758 -8.279 9.536 1.00 50.02 C ATOM 163 C ASP A 13 -19.019 -9.555 8.744 1.00 35.55 C ATOM 164 O ASP A 13 -20.094 -10.148 8.840 1.00 31.21 O ATOM 165 CB ASP A 13 -18.618 -8.606 11.024 1.00 31.02 C ATOM 166 CG ASP A 13 -19.887 -9.193 11.609 1.00 64.21 C ATOM 167 OD1 ASP A 13 -20.879 -8.444 11.748 1.00 74.31 O ATOM 168 OD2 ASP A 13 -19.891 -10.400 11.928 1.00 74.33 O ATOM 0 H ASP A 13 -20.741 -7.612 9.672 1.00 62.53 H new ATOM 0 HA ASP A 13 -17.827 -7.837 9.180 1.00 50.02 H new ATOM 0 HB2 ASP A 13 -17.798 -9.310 11.163 1.00 31.02 H new ATOM 0 HB3 ASP A 13 -18.355 -7.699 11.569 1.00 31.02 H new ATOM 173 N TRP A 14 -18.030 -9.972 7.961 1.00 61.30 N ATOM 174 CA TRP A 14 -18.154 -11.178 7.150 1.00 53.03 C ATOM 175 C TRP A 14 -17.245 -12.283 7.677 1.00 41.01 C ATOM 176 O TRP A 14 -16.144 -12.488 7.169 1.00 74.21 O ATOM 177 CB TRP A 14 -17.815 -10.874 5.690 1.00 51.04 C ATOM 178 CG TRP A 14 -16.567 -10.058 5.529 1.00 20.21 C ATOM 179 CD1 TRP A 14 -15.318 -10.522 5.229 1.00 72.33 C ATOM 180 CD2 TRP A 14 -16.450 -8.637 5.659 1.00 34.14 C ATOM 181 NE1 TRP A 14 -14.430 -9.475 5.166 1.00 24.52 N ATOM 182 CE2 TRP A 14 -15.100 -8.309 5.425 1.00 1.41 C ATOM 183 CE3 TRP A 14 -17.352 -7.611 5.948 1.00 72.22 C ATOM 184 CZ2 TRP A 14 -14.634 -6.997 5.472 1.00 61.25 C ATOM 185 CZ3 TRP A 14 -16.889 -6.310 5.995 1.00 50.03 C ATOM 186 CH2 TRP A 14 -15.541 -6.012 5.759 1.00 14.52 C ATOM 0 H TRP A 14 -17.134 -9.493 7.871 1.00 61.30 H new ATOM 0 HA TRP A 14 -19.186 -11.522 7.211 1.00 53.03 H new ATOM 0 HB2 TRP A 14 -17.700 -11.813 5.148 1.00 51.04 H new ATOM 0 HB3 TRP A 14 -18.650 -10.343 5.233 1.00 51.04 H new ATOM 0 HD1 TRP A 14 -15.065 -11.559 5.065 1.00 72.33 H new ATOM 0 HE1 TRP A 14 -13.434 -9.554 4.960 1.00 24.52 H new ATOM 0 HE3 TRP A 14 -18.393 -7.831 6.132 1.00 72.22 H new ATOM 0 HZ2 TRP A 14 -13.595 -6.765 5.289 1.00 61.25 H new ATOM 0 HZ3 TRP A 14 -17.578 -5.509 6.218 1.00 50.03 H new ATOM 0 HH2 TRP A 14 -15.210 -4.985 5.804 1.00 14.52 H new ATOM 197 N GLY A 15 -17.714 -12.993 8.699 1.00 50.24 N ATOM 198 CA GLY A 15 -16.929 -14.069 9.277 1.00 41.24 C ATOM 199 C GLY A 15 -15.768 -13.558 10.108 1.00 1.35 C ATOM 200 O GLY A 15 -15.891 -13.378 11.319 1.00 23.32 O ATOM 0 H GLY A 15 -18.623 -12.842 9.137 1.00 50.24 H new ATOM 0 HA2 GLY A 15 -17.573 -14.690 9.900 1.00 41.24 H new ATOM 0 HA3 GLY A 15 -16.548 -14.706 8.479 1.00 41.24 H new ATOM 204 N THR A 16 -14.633 -13.324 9.454 1.00 31.43 N ATOM 205 CA THR A 16 -13.444 -12.834 10.140 1.00 24.42 C ATOM 206 C THR A 16 -13.275 -11.332 9.941 1.00 61.34 C ATOM 207 O THR A 16 -12.542 -10.677 10.681 1.00 43.13 O ATOM 208 CB THR A 16 -12.175 -13.552 9.645 1.00 11.53 C ATOM 209 OG1 THR A 16 -11.026 -13.049 10.336 1.00 32.21 O ATOM 210 CG2 THR A 16 -11.994 -13.362 8.146 1.00 31.40 C ATOM 0 H THR A 16 -14.513 -13.466 8.451 1.00 31.43 H new ATOM 0 HA THR A 16 -13.581 -13.044 11.201 1.00 24.42 H new ATOM 0 HB THR A 16 -12.285 -14.617 9.850 1.00 11.53 H new ATOM 0 HG1 THR A 16 -10.223 -13.512 10.016 1.00 32.21 H new ATOM 0 HG21 THR A 16 -11.091 -13.878 7.820 1.00 31.40 H new ATOM 0 HG22 THR A 16 -12.856 -13.772 7.620 1.00 31.40 H new ATOM 0 HG23 THR A 16 -11.905 -12.299 7.922 1.00 31.40 H new ATOM 218 N GLY A 17 -13.958 -10.792 8.936 1.00 62.22 N ATOM 219 CA GLY A 17 -13.869 -9.370 8.659 1.00 30.14 C ATOM 220 C GLY A 17 -14.912 -8.568 9.411 1.00 45.41 C ATOM 221 O GLY A 17 -15.983 -9.080 9.741 1.00 54.54 O ATOM 0 H GLY A 17 -14.571 -11.313 8.309 1.00 62.22 H new ATOM 0 HA2 GLY A 17 -12.875 -9.012 8.928 1.00 30.14 H new ATOM 0 HA3 GLY A 17 -13.989 -9.203 7.589 1.00 30.14 H new ATOM 225 N PHE A 18 -14.601 -7.305 9.684 1.00 52.52 N ATOM 226 CA PHE A 18 -15.519 -6.429 10.404 1.00 52.23 C ATOM 227 C PHE A 18 -15.474 -5.013 9.840 1.00 41.31 C ATOM 228 O PHE A 18 -14.415 -4.516 9.459 1.00 33.23 O ATOM 229 CB PHE A 18 -15.172 -6.407 11.894 1.00 21.53 C ATOM 230 CG PHE A 18 -14.050 -5.469 12.236 1.00 24.42 C ATOM 231 CD1 PHE A 18 -12.732 -5.890 12.166 1.00 2.42 C ATOM 232 CD2 PHE A 18 -14.314 -4.167 12.627 1.00 14.40 C ATOM 233 CE1 PHE A 18 -11.698 -5.029 12.479 1.00 14.31 C ATOM 234 CE2 PHE A 18 -13.283 -3.301 12.941 1.00 64.44 C ATOM 235 CZ PHE A 18 -11.973 -3.733 12.869 1.00 5.43 C ATOM 0 H PHE A 18 -13.720 -6.865 9.418 1.00 52.52 H new ATOM 0 HA PHE A 18 -16.529 -6.820 10.278 1.00 52.23 H new ATOM 0 HB2 PHE A 18 -16.058 -6.122 12.461 1.00 21.53 H new ATOM 0 HB3 PHE A 18 -14.902 -7.414 12.211 1.00 21.53 H new ATOM 0 HD1 PHE A 18 -12.510 -6.903 11.863 1.00 2.42 H new ATOM 0 HD2 PHE A 18 -15.336 -3.824 12.687 1.00 14.40 H new ATOM 0 HE1 PHE A 18 -10.675 -5.369 12.419 1.00 14.31 H new ATOM 0 HE2 PHE A 18 -13.502 -2.287 13.242 1.00 64.44 H new ATOM 0 HZ PHE A 18 -11.166 -3.059 13.117 1.00 5.43 H new ATOM 245 N GLY A 19 -16.635 -4.365 9.789 1.00 12.52 N ATOM 246 CA GLY A 19 -16.708 -3.013 9.268 1.00 41.24 C ATOM 247 C GLY A 19 -16.791 -1.973 10.368 1.00 64.12 C ATOM 248 O GLY A 19 -17.784 -1.902 11.091 1.00 51.14 O ATOM 0 H GLY A 19 -17.526 -4.753 10.099 1.00 12.52 H new ATOM 0 HA2 GLY A 19 -15.831 -2.816 8.651 1.00 41.24 H new ATOM 0 HA3 GLY A 19 -17.580 -2.923 8.620 1.00 41.24 H new ATOM 252 N GLY A 20 -15.743 -1.164 10.496 1.00 73.33 N ATOM 253 CA GLY A 20 -15.721 -0.135 11.519 1.00 60.02 C ATOM 254 C GLY A 20 -16.360 1.159 11.054 1.00 74.03 C ATOM 255 O GLY A 20 -16.056 1.654 9.969 1.00 72.13 O ATOM 0 H GLY A 20 -14.909 -1.203 9.910 1.00 73.33 H new ATOM 0 HA2 GLY A 20 -16.243 -0.497 12.405 1.00 60.02 H new ATOM 0 HA3 GLY A 20 -14.689 0.058 11.814 1.00 60.02 H new ATOM 259 N SER A 21 -17.249 1.707 11.876 1.00 70.23 N ATOM 260 CA SER A 21 -17.936 2.949 11.541 1.00 15.14 C ATOM 261 C SER A 21 -17.880 3.933 12.705 1.00 32.15 C ATOM 262 O SER A 21 -18.667 3.841 13.648 1.00 0.32 O ATOM 263 CB SER A 21 -19.393 2.665 11.167 1.00 73.43 C ATOM 264 OG SER A 21 -20.085 3.865 10.868 1.00 21.40 O ATOM 0 H SER A 21 -17.511 1.311 12.779 1.00 70.23 H new ATOM 0 HA SER A 21 -17.429 3.397 10.686 1.00 15.14 H new ATOM 0 HB2 SER A 21 -19.427 1.997 10.306 1.00 73.43 H new ATOM 0 HB3 SER A 21 -19.889 2.150 11.990 1.00 73.43 H new ATOM 0 HG SER A 21 -21.013 3.657 10.631 1.00 21.40 H new ATOM 270 N TRP A 22 -16.945 4.873 12.632 1.00 70.34 N ATOM 271 CA TRP A 22 -16.786 5.875 13.681 1.00 13.32 C ATOM 272 C TRP A 22 -17.595 7.127 13.363 1.00 53.24 C ATOM 273 O TRP A 22 -17.703 7.533 12.205 1.00 52.33 O ATOM 274 CB TRP A 22 -15.309 6.236 13.848 1.00 72.31 C ATOM 275 CG TRP A 22 -14.472 5.096 14.344 1.00 34.44 C ATOM 276 CD1 TRP A 22 -13.701 4.257 13.590 1.00 14.15 C ATOM 277 CD2 TRP A 22 -14.323 4.667 15.702 1.00 62.05 C ATOM 278 NE1 TRP A 22 -13.082 3.334 14.398 1.00 31.15 N ATOM 279 CE2 TRP A 22 -13.447 3.564 15.698 1.00 52.44 C ATOM 280 CE3 TRP A 22 -14.843 5.110 16.921 1.00 72.41 C ATOM 281 CZ2 TRP A 22 -13.082 2.900 16.865 1.00 33.33 C ATOM 282 CZ3 TRP A 22 -14.481 4.448 18.079 1.00 12.42 C ATOM 283 CH2 TRP A 22 -13.607 3.354 18.045 1.00 35.13 C ATOM 0 H TRP A 22 -16.286 4.963 11.859 1.00 70.34 H new ATOM 0 HA TRP A 22 -17.158 5.452 14.614 1.00 13.32 H new ATOM 0 HB2 TRP A 22 -14.915 6.577 12.891 1.00 72.31 H new ATOM 0 HB3 TRP A 22 -15.223 7.071 14.544 1.00 72.31 H new ATOM 0 HD1 TRP A 22 -13.594 4.311 12.517 1.00 14.15 H new ATOM 0 HE1 TRP A 22 -12.452 2.597 14.081 1.00 31.15 H new ATOM 0 HE3 TRP A 22 -15.516 5.954 16.958 1.00 72.41 H new ATOM 0 HZ2 TRP A 22 -12.408 2.056 16.841 1.00 33.33 H new ATOM 0 HZ3 TRP A 22 -14.879 4.780 19.027 1.00 12.42 H new ATOM 0 HH2 TRP A 22 -13.342 2.859 18.968 1.00 35.13 H new ATOM 294 N THR A 23 -18.162 7.739 14.398 1.00 72.42 N ATOM 295 CA THR A 23 -18.962 8.945 14.230 1.00 32.34 C ATOM 296 C THR A 23 -18.425 10.085 15.087 1.00 71.41 C ATOM 297 O THR A 23 -18.505 10.043 16.315 1.00 35.02 O ATOM 298 CB THR A 23 -20.438 8.695 14.594 1.00 44.01 C ATOM 299 OG1 THR A 23 -20.877 7.452 14.035 1.00 4.21 O ATOM 300 CG2 THR A 23 -21.320 9.827 14.084 1.00 34.13 C ATOM 0 H THR A 23 -18.081 7.418 15.363 1.00 72.42 H new ATOM 0 HA THR A 23 -18.897 9.223 13.178 1.00 32.34 H new ATOM 0 HB THR A 23 -20.520 8.653 15.680 1.00 44.01 H new ATOM 0 HG1 THR A 23 -21.816 7.300 14.272 1.00 4.21 H new ATOM 0 HG21 THR A 23 -22.358 9.629 14.353 1.00 34.13 H new ATOM 0 HG22 THR A 23 -21.002 10.767 14.534 1.00 34.13 H new ATOM 0 HG23 THR A 23 -21.233 9.896 13.000 1.00 34.13 H new ATOM 308 N VAL A 24 -17.879 11.105 14.432 1.00 54.23 N ATOM 309 CA VAL A 24 -17.330 12.259 15.135 1.00 15.12 C ATOM 310 C VAL A 24 -18.199 13.494 14.926 1.00 53.20 C ATOM 311 O VAL A 24 -18.588 13.810 13.802 1.00 52.51 O ATOM 312 CB VAL A 24 -15.895 12.569 14.669 1.00 53.22 C ATOM 313 CG1 VAL A 24 -15.250 13.603 15.579 1.00 14.14 C ATOM 314 CG2 VAL A 24 -15.063 11.296 14.622 1.00 1.21 C ATOM 0 H VAL A 24 -17.805 11.156 13.416 1.00 54.23 H new ATOM 0 HA VAL A 24 -17.313 12.006 16.195 1.00 15.12 H new ATOM 0 HB VAL A 24 -15.940 12.984 13.662 1.00 53.22 H new ATOM 0 HG11 VAL A 24 -14.237 13.809 15.234 1.00 14.14 H new ATOM 0 HG12 VAL A 24 -15.835 14.522 15.557 1.00 14.14 H new ATOM 0 HG13 VAL A 24 -15.215 13.219 16.599 1.00 14.14 H new ATOM 0 HG21 VAL A 24 -14.052 11.534 14.291 1.00 1.21 H new ATOM 0 HG22 VAL A 24 -15.024 10.850 15.616 1.00 1.21 H new ATOM 0 HG23 VAL A 24 -15.516 10.591 13.926 1.00 1.21 H new ATOM 324 N LYS A 25 -18.499 14.190 16.017 1.00 21.20 N ATOM 325 CA LYS A 25 -19.320 15.393 15.955 1.00 44.12 C ATOM 326 C LYS A 25 -18.752 16.487 16.853 1.00 23.02 C ATOM 327 O LYS A 25 -18.454 16.250 18.023 1.00 70.00 O ATOM 328 CB LYS A 25 -20.758 15.075 16.370 1.00 25.33 C ATOM 329 CG LYS A 25 -21.732 16.211 16.110 1.00 60.14 C ATOM 330 CD LYS A 25 -23.165 15.712 16.031 1.00 63.22 C ATOM 331 CE LYS A 25 -23.828 15.700 17.401 1.00 43.50 C ATOM 332 NZ LYS A 25 -24.507 16.991 17.698 1.00 62.11 N ATOM 0 H LYS A 25 -18.186 13.941 16.955 1.00 21.20 H new ATOM 0 HA LYS A 25 -19.315 15.753 14.926 1.00 44.12 H new ATOM 0 HB2 LYS A 25 -21.095 14.189 15.832 1.00 25.33 H new ATOM 0 HB3 LYS A 25 -20.775 14.829 17.432 1.00 25.33 H new ATOM 0 HG2 LYS A 25 -21.648 16.952 16.905 1.00 60.14 H new ATOM 0 HG3 LYS A 25 -21.468 16.711 15.178 1.00 60.14 H new ATOM 0 HD2 LYS A 25 -23.736 16.348 15.355 1.00 63.22 H new ATOM 0 HD3 LYS A 25 -23.179 14.707 15.610 1.00 63.22 H new ATOM 0 HE2 LYS A 25 -24.554 14.889 17.446 1.00 43.50 H new ATOM 0 HE3 LYS A 25 -23.078 15.499 18.166 1.00 43.50 H new ATOM 0 HZ1 LYS A 25 -24.946 16.944 18.639 1.00 62.11 H new ATOM 0 HZ2 LYS A 25 -23.810 17.762 17.680 1.00 62.11 H new ATOM 0 HZ3 LYS A 25 -25.240 17.170 16.982 1.00 62.11 H new ATOM 346 N ASN A 26 -18.605 17.686 16.297 1.00 71.23 N ATOM 347 CA ASN A 26 -18.073 18.816 17.049 1.00 44.31 C ATOM 348 C ASN A 26 -19.174 19.824 17.368 1.00 52.40 C ATOM 349 O ASN A 26 -20.089 20.034 16.570 1.00 61.44 O ATOM 350 CB ASN A 26 -16.954 19.500 16.260 1.00 23.14 C ATOM 351 CG ASN A 26 -17.248 19.556 14.772 1.00 75.12 C ATOM 352 OD1 ASN A 26 -16.901 18.641 14.025 1.00 30.13 O ATOM 353 ND2 ASN A 26 -17.888 20.635 14.337 1.00 23.55 N ATOM 0 H ASN A 26 -18.847 17.899 15.329 1.00 71.23 H new ATOM 0 HA ASN A 26 -17.668 18.437 17.987 1.00 44.31 H new ATOM 0 HB2 ASN A 26 -16.813 20.512 16.638 1.00 23.14 H new ATOM 0 HB3 ASN A 26 -16.018 18.965 16.423 1.00 23.14 H new ATOM 0 HD21 ASN A 26 -18.112 20.731 13.346 1.00 23.55 H new ATOM 0 HD22 ASN A 26 -18.156 21.368 14.993 1.00 23.55 H new ATOM 360 N THR A 27 -19.078 20.446 18.539 1.00 61.11 N ATOM 361 CA THR A 27 -20.065 21.430 18.964 1.00 63.02 C ATOM 362 C THR A 27 -19.632 22.122 20.253 1.00 2.53 C ATOM 363 O THR A 27 -18.764 21.629 20.971 1.00 43.25 O ATOM 364 CB THR A 27 -21.447 20.785 19.181 1.00 75.11 C ATOM 365 OG1 THR A 27 -22.399 21.782 19.567 1.00 0.45 O ATOM 366 CG2 THR A 27 -21.376 19.703 20.249 1.00 21.11 C ATOM 0 H THR A 27 -18.327 20.285 19.210 1.00 61.11 H new ATOM 0 HA THR A 27 -20.139 22.168 18.165 1.00 63.02 H new ATOM 0 HB THR A 27 -21.762 20.328 18.243 1.00 75.11 H new ATOM 0 HG1 THR A 27 -23.275 21.363 19.701 1.00 0.45 H new ATOM 0 HG21 THR A 27 -22.363 19.261 20.386 1.00 21.11 H new ATOM 0 HG22 THR A 27 -20.673 18.931 19.938 1.00 21.11 H new ATOM 0 HG23 THR A 27 -21.041 20.141 21.189 1.00 21.11 H new ATOM 374 N GLY A 28 -20.244 23.267 20.538 1.00 42.51 N ATOM 375 CA GLY A 28 -19.908 24.008 21.740 1.00 14.21 C ATOM 376 C GLY A 28 -18.604 24.769 21.607 1.00 32.33 C ATOM 377 O GLY A 28 -18.583 25.998 21.679 1.00 34.15 O ATOM 0 H GLY A 28 -20.966 23.695 19.958 1.00 42.51 H new ATOM 0 HA2 GLY A 28 -20.712 24.708 21.968 1.00 14.21 H new ATOM 0 HA3 GLY A 28 -19.838 23.318 22.581 1.00 14.21 H new ATOM 381 N THR A 29 -17.510 24.037 21.416 1.00 3.21 N ATOM 382 CA THR A 29 -16.196 24.650 21.275 1.00 35.31 C ATOM 383 C THR A 29 -16.117 25.502 20.013 1.00 30.41 C ATOM 384 O THR A 29 -16.949 25.376 19.114 1.00 22.13 O ATOM 385 CB THR A 29 -15.081 23.586 21.232 1.00 63.33 C ATOM 386 OG1 THR A 29 -15.393 22.589 20.254 1.00 63.34 O ATOM 387 CG2 THR A 29 -14.907 22.931 22.595 1.00 1.12 C ATOM 0 H THR A 29 -17.509 23.019 21.356 1.00 3.21 H new ATOM 0 HA THR A 29 -16.050 25.286 22.148 1.00 35.31 H new ATOM 0 HB THR A 29 -14.147 24.079 20.961 1.00 63.33 H new ATOM 0 HG1 THR A 29 -14.679 21.918 20.232 1.00 63.34 H new ATOM 0 HG21 THR A 29 -14.115 22.184 22.541 1.00 1.12 H new ATOM 0 HG22 THR A 29 -14.641 23.689 23.332 1.00 1.12 H new ATOM 0 HG23 THR A 29 -15.840 22.450 22.890 1.00 1.12 H new ATOM 395 N THR A 30 -15.111 26.369 19.951 1.00 65.35 N ATOM 396 CA THR A 30 -14.925 27.242 18.800 1.00 1.23 C ATOM 397 C THR A 30 -14.744 26.433 17.520 1.00 64.42 C ATOM 398 O THR A 30 -14.856 25.207 17.529 1.00 44.23 O ATOM 399 CB THR A 30 -13.708 28.167 18.986 1.00 33.31 C ATOM 400 OG1 THR A 30 -13.191 28.034 20.316 1.00 40.32 O ATOM 401 CG2 THR A 30 -14.083 29.617 18.726 1.00 5.33 C ATOM 0 H THR A 30 -14.413 26.485 20.685 1.00 65.35 H new ATOM 0 HA THR A 30 -15.825 27.851 18.717 1.00 1.23 H new ATOM 0 HB THR A 30 -12.944 27.873 18.267 1.00 33.31 H new ATOM 0 HG1 THR A 30 -12.416 28.624 20.426 1.00 40.32 H new ATOM 0 HG21 THR A 30 -13.206 30.250 18.864 1.00 5.33 H new ATOM 0 HG22 THR A 30 -14.448 29.721 17.704 1.00 5.33 H new ATOM 0 HG23 THR A 30 -14.864 29.922 19.423 1.00 5.33 H new ATOM 409 N SER A 31 -14.462 27.127 16.422 1.00 43.22 N ATOM 410 CA SER A 31 -14.269 26.473 15.134 1.00 52.31 C ATOM 411 C SER A 31 -13.155 25.432 15.215 1.00 43.52 C ATOM 412 O SER A 31 -12.009 25.756 15.530 1.00 10.34 O ATOM 413 CB SER A 31 -13.936 27.508 14.057 1.00 5.31 C ATOM 414 OG SER A 31 -14.754 28.658 14.187 1.00 55.45 O ATOM 0 H SER A 31 -14.362 28.142 16.399 1.00 43.22 H new ATOM 0 HA SER A 31 -15.198 25.968 14.868 1.00 52.31 H new ATOM 0 HB2 SER A 31 -12.887 27.793 14.134 1.00 5.31 H new ATOM 0 HB3 SER A 31 -14.075 27.068 13.069 1.00 5.31 H new ATOM 0 HG SER A 31 -14.521 29.305 13.489 1.00 55.45 H new ATOM 420 N LEU A 32 -13.500 24.183 14.929 1.00 22.33 N ATOM 421 CA LEU A 32 -12.532 23.093 14.970 1.00 23.04 C ATOM 422 C LEU A 32 -11.351 23.380 14.048 1.00 21.14 C ATOM 423 O LEU A 32 -11.482 24.107 13.063 1.00 42.33 O ATOM 424 CB LEU A 32 -13.199 21.776 14.568 1.00 12.42 C ATOM 425 CG LEU A 32 -13.268 20.701 15.653 1.00 31.23 C ATOM 426 CD1 LEU A 32 -14.179 21.143 16.787 1.00 14.53 C ATOM 427 CD2 LEU A 32 -13.747 19.381 15.066 1.00 31.22 C ATOM 0 H LEU A 32 -14.444 23.899 14.666 1.00 22.33 H new ATOM 0 HA LEU A 32 -12.161 23.008 15.991 1.00 23.04 H new ATOM 0 HB2 LEU A 32 -14.214 21.993 14.234 1.00 12.42 H new ATOM 0 HB3 LEU A 32 -12.662 21.366 13.712 1.00 12.42 H new ATOM 0 HG LEU A 32 -12.266 20.555 16.056 1.00 31.23 H new ATOM 0 HD11 LEU A 32 -14.215 20.365 17.549 1.00 14.53 H new ATOM 0 HD12 LEU A 32 -13.793 22.063 17.226 1.00 14.53 H new ATOM 0 HD13 LEU A 32 -15.183 21.319 16.400 1.00 14.53 H new ATOM 0 HD21 LEU A 32 -13.790 18.627 15.852 1.00 31.22 H new ATOM 0 HD22 LEU A 32 -14.740 19.513 14.635 1.00 31.22 H new ATOM 0 HD23 LEU A 32 -13.055 19.056 14.289 1.00 31.22 H new ATOM 439 N SER A 33 -10.199 22.800 14.372 1.00 50.15 N ATOM 440 CA SER A 33 -8.994 22.995 13.574 1.00 63.10 C ATOM 441 C SER A 33 -8.522 21.675 12.973 1.00 75.30 C ATOM 442 O SER A 33 -7.700 21.656 12.056 1.00 62.42 O ATOM 443 CB SER A 33 -7.884 23.607 14.430 1.00 53.43 C ATOM 444 OG SER A 33 -7.483 24.867 13.920 1.00 62.13 O ATOM 0 H SER A 33 -10.075 22.192 15.181 1.00 50.15 H new ATOM 0 HA SER A 33 -9.233 23.679 12.760 1.00 63.10 H new ATOM 0 HB2 SER A 33 -8.233 23.721 15.456 1.00 53.43 H new ATOM 0 HB3 SER A 33 -7.028 22.933 14.457 1.00 53.43 H new ATOM 0 HG SER A 33 -6.774 25.238 14.486 1.00 62.13 H new ATOM 450 N SER A 34 -9.046 20.572 13.499 1.00 14.43 N ATOM 451 CA SER A 34 -8.675 19.246 13.019 1.00 13.21 C ATOM 452 C SER A 34 -9.401 18.160 13.807 1.00 45.22 C ATOM 453 O SER A 34 -9.761 18.356 14.968 1.00 3.20 O ATOM 454 CB SER A 34 -7.162 19.045 13.127 1.00 74.34 C ATOM 455 OG SER A 34 -6.838 18.184 14.205 1.00 61.32 O ATOM 0 H SER A 34 -9.728 20.571 14.257 1.00 14.43 H new ATOM 0 HA SER A 34 -8.970 19.170 11.972 1.00 13.21 H new ATOM 0 HB2 SER A 34 -6.780 18.627 12.196 1.00 74.34 H new ATOM 0 HB3 SER A 34 -6.673 20.009 13.268 1.00 74.34 H new ATOM 0 HG SER A 34 -5.866 18.070 14.252 1.00 61.32 H new ATOM 461 N TRP A 35 -9.612 17.015 13.167 1.00 42.13 N ATOM 462 CA TRP A 35 -10.295 15.898 13.808 1.00 24.44 C ATOM 463 C TRP A 35 -9.592 14.581 13.500 1.00 11.34 C ATOM 464 O TRP A 35 -9.312 14.270 12.341 1.00 53.12 O ATOM 465 CB TRP A 35 -11.752 15.832 13.346 1.00 61.44 C ATOM 466 CG TRP A 35 -11.902 15.458 11.902 1.00 43.14 C ATOM 467 CD1 TRP A 35 -11.983 16.312 10.839 1.00 71.11 C ATOM 468 CD2 TRP A 35 -11.990 14.135 11.364 1.00 2.44 C ATOM 469 NE1 TRP A 35 -12.117 15.599 9.672 1.00 33.32 N ATOM 470 CE2 TRP A 35 -12.122 14.261 9.967 1.00 64.11 C ATOM 471 CE3 TRP A 35 -11.968 12.855 11.925 1.00 54.31 C ATOM 472 CZ2 TRP A 35 -12.232 13.156 9.127 1.00 30.22 C ATOM 473 CZ3 TRP A 35 -12.077 11.760 11.090 1.00 70.21 C ATOM 474 CH2 TRP A 35 -12.207 11.915 9.705 1.00 4.43 C ATOM 0 H TRP A 35 -9.320 16.836 12.206 1.00 42.13 H new ATOM 0 HA TRP A 35 -10.269 16.059 14.886 1.00 24.44 H new ATOM 0 HB2 TRP A 35 -12.287 15.107 13.959 1.00 61.44 H new ATOM 0 HB3 TRP A 35 -12.223 16.801 13.514 1.00 61.44 H new ATOM 0 HD1 TRP A 35 -11.947 17.389 10.906 1.00 71.11 H new ATOM 0 HE1 TRP A 35 -12.199 16.001 8.738 1.00 33.32 H new ATOM 0 HE3 TRP A 35 -11.868 12.724 12.992 1.00 54.31 H new ATOM 0 HZ2 TRP A 35 -12.333 13.274 8.058 1.00 30.22 H new ATOM 0 HZ3 TRP A 35 -12.062 10.767 11.513 1.00 70.21 H new ATOM 0 HH2 TRP A 35 -12.289 11.038 9.080 1.00 4.43 H new ATOM 485 N THR A 36 -9.309 13.808 14.543 1.00 33.05 N ATOM 486 CA THR A 36 -8.636 12.525 14.383 1.00 31.53 C ATOM 487 C THR A 36 -9.000 11.568 15.514 1.00 71.12 C ATOM 488 O THR A 36 -8.792 11.872 16.689 1.00 42.34 O ATOM 489 CB THR A 36 -7.106 12.692 14.342 1.00 53.43 C ATOM 490 OG1 THR A 36 -6.749 13.687 13.375 1.00 1.53 O ATOM 491 CG2 THR A 36 -6.425 11.376 13.998 1.00 2.01 C ATOM 0 H THR A 36 -9.535 14.048 15.508 1.00 33.05 H new ATOM 0 HA THR A 36 -8.974 12.109 13.434 1.00 31.53 H new ATOM 0 HB THR A 36 -6.771 13.007 15.330 1.00 53.43 H new ATOM 0 HG1 THR A 36 -5.775 13.789 13.355 1.00 1.53 H new ATOM 0 HG21 THR A 36 -5.345 11.520 13.975 1.00 2.01 H new ATOM 0 HG22 THR A 36 -6.675 10.629 14.751 1.00 2.01 H new ATOM 0 HG23 THR A 36 -6.766 11.034 13.021 1.00 2.01 H new ATOM 499 N VAL A 37 -9.544 10.411 15.152 1.00 23.50 N ATOM 500 CA VAL A 37 -9.936 9.409 16.137 1.00 51.21 C ATOM 501 C VAL A 37 -8.919 8.274 16.199 1.00 63.54 C ATOM 502 O VAL A 37 -8.730 7.544 15.229 1.00 20.11 O ATOM 503 CB VAL A 37 -11.324 8.822 15.819 1.00 63.44 C ATOM 504 CG1 VAL A 37 -11.844 8.013 16.998 1.00 11.34 C ATOM 505 CG2 VAL A 37 -12.299 9.931 15.453 1.00 61.33 C ATOM 0 H VAL A 37 -9.724 10.144 14.184 1.00 23.50 H new ATOM 0 HA VAL A 37 -9.975 9.912 17.103 1.00 51.21 H new ATOM 0 HB VAL A 37 -11.230 8.154 14.963 1.00 63.44 H new ATOM 0 HG11 VAL A 37 -12.826 7.606 16.755 1.00 11.34 H new ATOM 0 HG12 VAL A 37 -11.155 7.196 17.211 1.00 11.34 H new ATOM 0 HG13 VAL A 37 -11.925 8.657 17.874 1.00 11.34 H new ATOM 0 HG21 VAL A 37 -13.275 9.499 15.231 1.00 61.33 H new ATOM 0 HG22 VAL A 37 -12.391 10.625 16.288 1.00 61.33 H new ATOM 0 HG23 VAL A 37 -11.931 10.465 14.577 1.00 61.33 H new ATOM 515 N GLU A 38 -8.268 8.135 17.350 1.00 35.43 N ATOM 516 CA GLU A 38 -7.270 7.088 17.539 1.00 70.54 C ATOM 517 C GLU A 38 -7.686 6.136 18.658 1.00 23.05 C ATOM 518 O GLU A 38 -8.407 6.519 19.578 1.00 64.42 O ATOM 519 CB GLU A 38 -5.907 7.704 17.861 1.00 44.01 C ATOM 520 CG GLU A 38 -5.607 8.965 17.068 1.00 65.13 C ATOM 521 CD GLU A 38 -5.819 10.229 17.879 1.00 64.25 C ATOM 522 OE1 GLU A 38 -5.498 10.219 19.086 1.00 62.43 O ATOM 523 OE2 GLU A 38 -6.305 11.227 17.308 1.00 3.53 O ATOM 0 H GLU A 38 -8.413 8.733 18.164 1.00 35.43 H new ATOM 0 HA GLU A 38 -7.195 6.521 16.611 1.00 70.54 H new ATOM 0 HB2 GLU A 38 -5.864 7.935 18.925 1.00 44.01 H new ATOM 0 HB3 GLU A 38 -5.129 6.967 17.664 1.00 44.01 H new ATOM 0 HG2 GLU A 38 -4.576 8.932 16.717 1.00 65.13 H new ATOM 0 HG3 GLU A 38 -6.244 8.994 16.184 1.00 65.13 H new ATOM 530 N TRP A 39 -7.226 4.892 18.569 1.00 41.24 N ATOM 531 CA TRP A 39 -7.550 3.885 19.572 1.00 24.24 C ATOM 532 C TRP A 39 -6.483 2.797 19.615 1.00 73.03 C ATOM 533 O TRP A 39 -5.637 2.708 18.725 1.00 64.32 O ATOM 534 CB TRP A 39 -8.917 3.263 19.276 1.00 75.12 C ATOM 535 CG TRP A 39 -9.567 3.815 18.043 1.00 72.35 C ATOM 536 CD1 TRP A 39 -10.616 4.687 17.992 1.00 5.34 C ATOM 537 CD2 TRP A 39 -9.211 3.530 16.686 1.00 55.24 C ATOM 538 NE1 TRP A 39 -10.934 4.962 16.683 1.00 23.31 N ATOM 539 CE2 TRP A 39 -10.086 4.265 15.863 1.00 60.41 C ATOM 540 CE3 TRP A 39 -8.237 2.728 16.087 1.00 13.51 C ATOM 541 CZ2 TRP A 39 -10.016 4.219 14.474 1.00 15.35 C ATOM 542 CZ3 TRP A 39 -8.167 2.683 14.707 1.00 4.45 C ATOM 543 CH2 TRP A 39 -9.051 3.426 13.913 1.00 24.32 C ATOM 0 H TRP A 39 -6.628 4.558 17.813 1.00 41.24 H new ATOM 0 HA TRP A 39 -7.583 4.375 20.545 1.00 24.24 H new ATOM 0 HB2 TRP A 39 -8.801 2.185 19.165 1.00 75.12 H new ATOM 0 HB3 TRP A 39 -9.575 3.427 20.129 1.00 75.12 H new ATOM 0 HD1 TRP A 39 -11.121 5.100 18.853 1.00 5.34 H new ATOM 0 HE1 TRP A 39 -11.680 5.584 16.373 1.00 23.31 H new ATOM 0 HE3 TRP A 39 -7.551 2.153 16.691 1.00 13.51 H new ATOM 0 HZ2 TRP A 39 -10.698 4.788 13.860 1.00 15.35 H new ATOM 0 HZ3 TRP A 39 -7.419 2.065 14.233 1.00 4.45 H new ATOM 0 HH2 TRP A 39 -8.969 3.372 12.837 1.00 24.32 H new ATOM 554 N ASP A 40 -6.526 1.973 20.656 1.00 62.15 N ATOM 555 CA ASP A 40 -5.561 0.891 20.816 1.00 24.25 C ATOM 556 C ASP A 40 -6.142 -0.431 20.324 1.00 23.41 C ATOM 557 O ASP A 40 -7.280 -0.780 20.646 1.00 53.55 O ATOM 558 CB ASP A 40 -5.142 0.764 22.281 1.00 14.01 C ATOM 559 CG ASP A 40 -3.753 1.318 22.536 1.00 3.41 C ATOM 560 OD1 ASP A 40 -3.527 2.510 22.241 1.00 43.42 O ATOM 561 OD2 ASP A 40 -2.894 0.559 23.030 1.00 72.20 O ATOM 0 H ASP A 40 -7.219 2.034 21.402 1.00 62.15 H new ATOM 0 HA ASP A 40 -4.683 1.128 20.215 1.00 24.25 H new ATOM 0 HB2 ASP A 40 -5.861 1.291 22.909 1.00 14.01 H new ATOM 0 HB3 ASP A 40 -5.171 -0.285 22.575 1.00 14.01 H new ATOM 566 N PHE A 41 -5.356 -1.164 19.543 1.00 43.41 N ATOM 567 CA PHE A 41 -5.793 -2.446 19.004 1.00 63.52 C ATOM 568 C PHE A 41 -4.999 -3.594 19.621 1.00 42.21 C ATOM 569 O PHE A 41 -4.095 -4.158 19.004 1.00 2.21 O ATOM 570 CB PHE A 41 -5.640 -2.464 17.482 1.00 61.20 C ATOM 571 CG PHE A 41 -6.863 -1.991 16.750 1.00 62.44 C ATOM 572 CD1 PHE A 41 -7.679 -1.013 17.297 1.00 51.11 C ATOM 573 CD2 PHE A 41 -7.198 -2.523 15.515 1.00 74.42 C ATOM 574 CE1 PHE A 41 -8.805 -0.574 16.626 1.00 35.41 C ATOM 575 CE2 PHE A 41 -8.322 -2.089 14.840 1.00 44.24 C ATOM 576 CZ PHE A 41 -9.128 -1.114 15.396 1.00 73.14 C ATOM 0 H PHE A 41 -4.412 -0.892 19.269 1.00 43.41 H new ATOM 0 HA PHE A 41 -6.845 -2.578 19.257 1.00 63.52 H new ATOM 0 HB2 PHE A 41 -4.794 -1.836 17.203 1.00 61.20 H new ATOM 0 HB3 PHE A 41 -5.404 -3.478 17.161 1.00 61.20 H new ATOM 0 HD1 PHE A 41 -7.432 -0.589 18.259 1.00 51.11 H new ATOM 0 HD2 PHE A 41 -6.573 -3.286 15.075 1.00 74.42 H new ATOM 0 HE1 PHE A 41 -9.431 0.190 17.063 1.00 35.41 H new ATOM 0 HE2 PHE A 41 -8.571 -2.512 13.878 1.00 44.24 H new ATOM 0 HZ PHE A 41 -10.008 -0.775 14.870 1.00 73.14 H new ATOM 586 N PRO A 42 -5.342 -3.947 20.868 1.00 15.24 N ATOM 587 CA PRO A 42 -4.673 -5.030 21.596 1.00 22.22 C ATOM 588 C PRO A 42 -4.992 -6.403 21.014 1.00 74.13 C ATOM 589 O PRO A 42 -4.092 -7.204 20.757 1.00 25.01 O ATOM 590 CB PRO A 42 -5.238 -4.906 23.013 1.00 61.13 C ATOM 591 CG PRO A 42 -6.562 -4.246 22.837 1.00 11.03 C ATOM 592 CD PRO A 42 -6.410 -3.318 21.664 1.00 13.01 C ATOM 0 HA PRO A 42 -3.587 -4.945 21.546 1.00 22.22 H new ATOM 0 HB2 PRO A 42 -5.342 -5.883 23.484 1.00 61.13 H new ATOM 0 HB3 PRO A 42 -4.582 -4.313 23.650 1.00 61.13 H new ATOM 0 HG2 PRO A 42 -7.344 -4.983 22.653 1.00 11.03 H new ATOM 0 HG3 PRO A 42 -6.847 -3.697 23.735 1.00 11.03 H new ATOM 0 HD2 PRO A 42 -7.337 -3.232 21.097 1.00 13.01 H new ATOM 0 HD3 PRO A 42 -6.136 -2.312 21.981 1.00 13.01 H new ATOM 600 N THR A 43 -6.278 -6.670 20.808 1.00 32.12 N ATOM 601 CA THR A 43 -6.715 -7.947 20.257 1.00 54.45 C ATOM 602 C THR A 43 -6.397 -8.041 18.769 1.00 73.32 C ATOM 603 O THR A 43 -6.464 -7.048 18.046 1.00 40.31 O ATOM 604 CB THR A 43 -8.227 -8.158 20.462 1.00 11.14 C ATOM 605 OG1 THR A 43 -8.757 -7.127 21.301 1.00 61.43 O ATOM 606 CG2 THR A 43 -8.502 -9.519 21.086 1.00 42.20 C ATOM 0 H THR A 43 -7.035 -6.019 21.015 1.00 32.12 H new ATOM 0 HA THR A 43 -6.171 -8.726 20.792 1.00 54.45 H new ATOM 0 HB THR A 43 -8.713 -8.117 19.487 1.00 11.14 H new ATOM 0 HG1 THR A 43 -9.719 -7.268 21.425 1.00 61.43 H new ATOM 0 HG21 THR A 43 -9.576 -9.647 21.222 1.00 42.20 H new ATOM 0 HG22 THR A 43 -8.123 -10.303 20.430 1.00 42.20 H new ATOM 0 HG23 THR A 43 -8.004 -9.583 22.053 1.00 42.20 H new ATOM 614 N GLY A 44 -6.052 -9.243 18.317 1.00 52.21 N ATOM 615 CA GLY A 44 -5.729 -9.444 16.916 1.00 72.01 C ATOM 616 C GLY A 44 -6.649 -8.671 15.993 1.00 52.35 C ATOM 617 O GLY A 44 -7.750 -9.123 15.677 1.00 75.15 O ATOM 0 H GLY A 44 -5.990 -10.081 18.896 1.00 52.21 H new ATOM 0 HA2 GLY A 44 -4.698 -9.138 16.736 1.00 72.01 H new ATOM 0 HA3 GLY A 44 -5.792 -10.506 16.681 1.00 72.01 H new ATOM 621 N THR A 45 -6.198 -7.497 15.558 1.00 1.12 N ATOM 622 CA THR A 45 -6.989 -6.657 14.668 1.00 10.53 C ATOM 623 C THR A 45 -6.099 -5.705 13.876 1.00 31.53 C ATOM 624 O THR A 45 -4.991 -5.380 14.299 1.00 54.33 O ATOM 625 CB THR A 45 -8.033 -5.837 15.449 1.00 1.23 C ATOM 626 OG1 THR A 45 -8.686 -6.669 16.414 1.00 45.25 O ATOM 627 CG2 THR A 45 -9.066 -5.238 14.506 1.00 72.04 C ATOM 0 H THR A 45 -5.289 -7.108 15.808 1.00 1.12 H new ATOM 0 HA THR A 45 -7.506 -7.325 13.979 1.00 10.53 H new ATOM 0 HB THR A 45 -7.517 -5.024 15.960 1.00 1.23 H new ATOM 0 HG1 THR A 45 -8.098 -6.796 17.188 1.00 45.25 H new ATOM 0 HG21 THR A 45 -9.793 -4.663 15.080 1.00 72.04 H new ATOM 0 HG22 THR A 45 -8.569 -4.583 13.791 1.00 72.04 H new ATOM 0 HG23 THR A 45 -9.577 -6.038 13.971 1.00 72.04 H new ATOM 635 N LYS A 46 -6.593 -5.261 12.725 1.00 30.11 N ATOM 636 CA LYS A 46 -5.844 -4.344 11.875 1.00 0.44 C ATOM 637 C LYS A 46 -6.700 -3.865 10.706 1.00 42.20 C ATOM 638 O LYS A 46 -7.332 -4.665 10.017 1.00 60.11 O ATOM 639 CB LYS A 46 -4.577 -5.023 11.348 1.00 44.11 C ATOM 640 CG LYS A 46 -4.833 -6.378 10.711 1.00 64.13 C ATOM 641 CD LYS A 46 -4.229 -7.503 11.533 1.00 3.42 C ATOM 642 CE LYS A 46 -2.711 -7.417 11.565 1.00 73.24 C ATOM 643 NZ LYS A 46 -2.074 -8.694 11.141 1.00 13.51 N ATOM 0 H LYS A 46 -7.509 -5.522 12.360 1.00 30.11 H new ATOM 0 HA LYS A 46 -5.562 -3.479 12.476 1.00 0.44 H new ATOM 0 HB2 LYS A 46 -4.103 -4.370 10.615 1.00 44.11 H new ATOM 0 HB3 LYS A 46 -3.871 -5.145 12.170 1.00 44.11 H new ATOM 0 HG2 LYS A 46 -5.907 -6.536 10.609 1.00 64.13 H new ATOM 0 HG3 LYS A 46 -4.412 -6.394 9.706 1.00 64.13 H new ATOM 0 HD2 LYS A 46 -4.618 -7.461 12.550 1.00 3.42 H new ATOM 0 HD3 LYS A 46 -4.531 -8.463 11.115 1.00 3.42 H new ATOM 0 HE2 LYS A 46 -2.379 -6.611 10.911 1.00 73.24 H new ATOM 0 HE3 LYS A 46 -2.383 -7.165 12.573 1.00 73.24 H new ATOM 0 HZ1 LYS A 46 -1.039 -8.594 11.176 1.00 13.51 H new ATOM 0 HZ2 LYS A 46 -2.370 -9.459 11.780 1.00 13.51 H new ATOM 0 HZ3 LYS A 46 -2.367 -8.922 10.169 1.00 13.51 H new ATOM 657 N VAL A 47 -6.713 -2.553 10.487 1.00 24.53 N ATOM 658 CA VAL A 47 -7.489 -1.968 9.400 1.00 31.11 C ATOM 659 C VAL A 47 -6.818 -2.211 8.053 1.00 61.12 C ATOM 660 O VAL A 47 -5.879 -1.508 7.678 1.00 32.21 O ATOM 661 CB VAL A 47 -7.681 -0.452 9.600 1.00 35.23 C ATOM 662 CG1 VAL A 47 -8.457 0.146 8.437 1.00 61.33 C ATOM 663 CG2 VAL A 47 -8.383 -0.174 10.921 1.00 12.43 C ATOM 0 H VAL A 47 -6.195 -1.876 11.048 1.00 24.53 H new ATOM 0 HA VAL A 47 -8.464 -2.455 9.410 1.00 31.11 H new ATOM 0 HB VAL A 47 -6.699 0.021 9.631 1.00 35.23 H new ATOM 0 HG11 VAL A 47 -8.583 1.217 8.596 1.00 61.33 H new ATOM 0 HG12 VAL A 47 -7.909 -0.021 7.510 1.00 61.33 H new ATOM 0 HG13 VAL A 47 -9.436 -0.328 8.371 1.00 61.33 H new ATOM 0 HG21 VAL A 47 -8.510 0.901 11.046 1.00 12.43 H new ATOM 0 HG22 VAL A 47 -9.360 -0.658 10.923 1.00 12.43 H new ATOM 0 HG23 VAL A 47 -7.782 -0.566 11.742 1.00 12.43 H new ATOM 673 N THR A 48 -7.307 -3.211 7.327 1.00 22.44 N ATOM 674 CA THR A 48 -6.754 -3.549 6.022 1.00 3.43 C ATOM 675 C THR A 48 -7.028 -2.445 5.006 1.00 63.24 C ATOM 676 O THR A 48 -6.166 -2.104 4.197 1.00 24.32 O ATOM 677 CB THR A 48 -7.335 -4.873 5.491 1.00 12.34 C ATOM 678 OG1 THR A 48 -6.795 -5.161 4.196 1.00 13.24 O ATOM 679 CG2 THR A 48 -8.853 -4.805 5.409 1.00 61.13 C ATOM 0 H THR A 48 -8.085 -3.801 7.621 1.00 22.44 H new ATOM 0 HA THR A 48 -5.678 -3.660 6.154 1.00 3.43 H new ATOM 0 HB THR A 48 -7.060 -5.668 6.184 1.00 12.34 H new ATOM 0 HG1 THR A 48 -7.168 -6.005 3.866 1.00 13.24 H new ATOM 0 HG21 THR A 48 -9.240 -5.752 5.031 1.00 61.13 H new ATOM 0 HG22 THR A 48 -9.263 -4.615 6.401 1.00 61.13 H new ATOM 0 HG23 THR A 48 -9.145 -3.999 4.736 1.00 61.13 H new ATOM 687 N SER A 49 -8.235 -1.887 5.057 1.00 15.44 N ATOM 688 CA SER A 49 -8.623 -0.823 4.138 1.00 73.43 C ATOM 689 C SER A 49 -9.498 0.209 4.843 1.00 22.02 C ATOM 690 O SER A 49 -10.250 -0.121 5.760 1.00 2.51 O ATOM 691 CB SER A 49 -9.368 -1.404 2.936 1.00 12.11 C ATOM 692 OG SER A 49 -8.462 -1.857 1.944 1.00 75.55 O ATOM 0 H SER A 49 -8.959 -2.154 5.724 1.00 15.44 H new ATOM 0 HA SER A 49 -7.716 -0.329 3.789 1.00 73.43 H new ATOM 0 HB2 SER A 49 -10.000 -2.231 3.261 1.00 12.11 H new ATOM 0 HB3 SER A 49 -10.027 -0.647 2.512 1.00 12.11 H new ATOM 0 HG SER A 49 -7.589 -2.033 2.354 1.00 75.55 H new ATOM 698 N ALA A 50 -9.394 1.461 4.408 1.00 13.34 N ATOM 699 CA ALA A 50 -10.177 2.541 4.995 1.00 14.44 C ATOM 700 C ALA A 50 -10.575 3.567 3.938 1.00 34.13 C ATOM 701 O ALA A 50 -10.000 3.606 2.850 1.00 61.51 O ATOM 702 CB ALA A 50 -9.396 3.211 6.115 1.00 54.22 C ATOM 0 H ALA A 50 -8.775 1.752 3.651 1.00 13.34 H new ATOM 0 HA ALA A 50 -11.089 2.112 5.410 1.00 14.44 H new ATOM 0 HB1 ALA A 50 -9.993 4.016 6.544 1.00 54.22 H new ATOM 0 HB2 ALA A 50 -9.167 2.477 6.888 1.00 54.22 H new ATOM 0 HB3 ALA A 50 -8.468 3.621 5.717 1.00 54.22 H new ATOM 708 N TRP A 51 -11.560 4.394 4.265 1.00 62.44 N ATOM 709 CA TRP A 51 -12.035 5.420 3.344 1.00 11.22 C ATOM 710 C TRP A 51 -12.532 6.645 4.102 1.00 63.13 C ATOM 711 O TRP A 51 -13.103 6.526 5.187 1.00 42.32 O ATOM 712 CB TRP A 51 -13.152 4.863 2.461 1.00 24.22 C ATOM 713 CG TRP A 51 -14.231 4.168 3.235 1.00 23.50 C ATOM 714 CD1 TRP A 51 -15.169 4.750 4.038 1.00 64.24 C ATOM 715 CD2 TRP A 51 -14.481 2.759 3.281 1.00 31.52 C ATOM 716 NE1 TRP A 51 -15.986 3.789 4.581 1.00 25.04 N ATOM 717 CE2 TRP A 51 -15.587 2.559 4.131 1.00 53.42 C ATOM 718 CE3 TRP A 51 -13.880 1.647 2.685 1.00 52.03 C ATOM 719 CZ2 TRP A 51 -16.099 1.292 4.399 1.00 45.21 C ATOM 720 CZ3 TRP A 51 -14.391 0.391 2.952 1.00 14.11 C ATOM 721 CH2 TRP A 51 -15.491 0.222 3.802 1.00 62.43 C ATOM 0 H TRP A 51 -12.046 4.375 5.162 1.00 62.44 H new ATOM 0 HA TRP A 51 -11.199 5.722 2.713 1.00 11.22 H new ATOM 0 HB2 TRP A 51 -13.594 5.679 1.888 1.00 24.22 H new ATOM 0 HB3 TRP A 51 -12.723 4.165 1.742 1.00 24.22 H new ATOM 0 HD1 TRP A 51 -15.256 5.811 4.220 1.00 64.24 H new ATOM 0 HE1 TRP A 51 -16.764 3.963 5.217 1.00 25.04 H new ATOM 0 HE3 TRP A 51 -13.032 1.767 2.028 1.00 52.03 H new ATOM 0 HZ2 TRP A 51 -16.946 1.159 5.055 1.00 45.21 H new ATOM 0 HZ3 TRP A 51 -13.934 -0.475 2.497 1.00 14.11 H new ATOM 0 HH2 TRP A 51 -15.867 -0.773 3.990 1.00 62.43 H new ATOM 732 N ASP A 52 -12.313 7.822 3.526 1.00 61.41 N ATOM 733 CA ASP A 52 -12.741 9.070 4.147 1.00 74.31 C ATOM 734 C ASP A 52 -12.021 9.291 5.475 1.00 13.35 C ATOM 735 O ASP A 52 -12.440 10.110 6.292 1.00 5.44 O ATOM 736 CB ASP A 52 -14.253 9.061 4.370 1.00 64.12 C ATOM 737 CG ASP A 52 -14.821 10.457 4.544 1.00 10.14 C ATOM 738 OD1 ASP A 52 -14.614 11.297 3.644 1.00 3.43 O ATOM 739 OD2 ASP A 52 -15.471 10.708 5.579 1.00 64.32 O ATOM 0 H ASP A 52 -11.841 7.938 2.629 1.00 61.41 H new ATOM 0 HA ASP A 52 -12.485 9.888 3.474 1.00 74.31 H new ATOM 0 HB2 ASP A 52 -14.739 8.577 3.523 1.00 64.12 H new ATOM 0 HB3 ASP A 52 -14.484 8.465 5.253 1.00 64.12 H new ATOM 744 N ALA A 53 -10.935 8.553 5.682 1.00 53.42 N ATOM 745 CA ALA A 53 -10.155 8.669 6.909 1.00 31.32 C ATOM 746 C ALA A 53 -8.863 7.864 6.817 1.00 25.43 C ATOM 747 O ALA A 53 -8.851 6.659 7.072 1.00 12.41 O ATOM 748 CB ALA A 53 -10.980 8.212 8.103 1.00 23.01 C ATOM 0 H ALA A 53 -10.575 7.869 5.016 1.00 53.42 H new ATOM 0 HA ALA A 53 -9.890 9.718 7.044 1.00 31.32 H new ATOM 0 HB1 ALA A 53 -10.386 8.304 9.012 1.00 23.01 H new ATOM 0 HB2 ALA A 53 -11.872 8.833 8.188 1.00 23.01 H new ATOM 0 HB3 ALA A 53 -11.274 7.172 7.965 1.00 23.01 H new ATOM 754 N THR A 54 -7.778 8.536 6.450 1.00 53.53 N ATOM 755 CA THR A 54 -6.481 7.883 6.322 1.00 15.41 C ATOM 756 C THR A 54 -6.102 7.157 7.608 1.00 52.22 C ATOM 757 O THR A 54 -5.647 7.774 8.571 1.00 44.43 O ATOM 758 CB THR A 54 -5.374 8.896 5.972 1.00 71.22 C ATOM 759 OG1 THR A 54 -5.639 9.492 4.697 1.00 73.42 O ATOM 760 CG2 THR A 54 -4.011 8.221 5.949 1.00 13.21 C ATOM 0 H THR A 54 -7.771 9.533 6.236 1.00 53.53 H new ATOM 0 HA THR A 54 -6.570 7.159 5.512 1.00 15.41 H new ATOM 0 HB THR A 54 -5.366 9.671 6.739 1.00 71.22 H new ATOM 0 HG1 THR A 54 -4.932 10.136 4.483 1.00 73.42 H new ATOM 0 HG21 THR A 54 -3.245 8.956 5.700 1.00 13.21 H new ATOM 0 HG22 THR A 54 -3.799 7.795 6.930 1.00 13.21 H new ATOM 0 HG23 THR A 54 -4.010 7.428 5.201 1.00 13.21 H new ATOM 768 N VAL A 55 -6.291 5.841 7.616 1.00 74.24 N ATOM 769 CA VAL A 55 -5.967 5.031 8.785 1.00 14.54 C ATOM 770 C VAL A 55 -4.490 4.651 8.797 1.00 63.41 C ATOM 771 O VAL A 55 -3.962 4.133 7.813 1.00 0.42 O ATOM 772 CB VAL A 55 -6.816 3.746 8.829 1.00 3.03 C ATOM 773 CG1 VAL A 55 -6.347 2.834 9.951 1.00 21.52 C ATOM 774 CG2 VAL A 55 -8.289 4.088 8.987 1.00 23.43 C ATOM 0 H VAL A 55 -6.666 5.314 6.828 1.00 74.24 H new ATOM 0 HA VAL A 55 -6.191 5.637 9.663 1.00 14.54 H new ATOM 0 HB VAL A 55 -6.689 3.214 7.886 1.00 3.03 H new ATOM 0 HG11 VAL A 55 -6.959 1.932 9.966 1.00 21.52 H new ATOM 0 HG12 VAL A 55 -5.304 2.563 9.787 1.00 21.52 H new ATOM 0 HG13 VAL A 55 -6.442 3.353 10.905 1.00 21.52 H new ATOM 0 HG21 VAL A 55 -8.875 3.169 9.016 1.00 23.43 H new ATOM 0 HG22 VAL A 55 -8.436 4.642 9.914 1.00 23.43 H new ATOM 0 HG23 VAL A 55 -8.613 4.698 8.144 1.00 23.43 H new ATOM 784 N THR A 56 -3.828 4.911 9.920 1.00 4.51 N ATOM 785 CA THR A 56 -2.411 4.599 10.062 1.00 2.22 C ATOM 786 C THR A 56 -2.157 3.758 11.308 1.00 11.31 C ATOM 787 O THR A 56 -2.776 3.970 12.349 1.00 32.10 O ATOM 788 CB THR A 56 -1.558 5.879 10.137 1.00 22.04 C ATOM 789 OG1 THR A 56 -1.571 6.551 8.873 1.00 22.22 O ATOM 790 CG2 THR A 56 -0.125 5.552 10.528 1.00 33.45 C ATOM 0 H THR A 56 -4.251 5.337 10.745 1.00 4.51 H new ATOM 0 HA THR A 56 -2.122 4.031 9.178 1.00 2.22 H new ATOM 0 HB THR A 56 -1.986 6.530 10.899 1.00 22.04 H new ATOM 0 HG1 THR A 56 -1.028 7.365 8.930 1.00 22.22 H new ATOM 0 HG21 THR A 56 0.458 6.472 10.575 1.00 33.45 H new ATOM 0 HG22 THR A 56 -0.116 5.067 11.504 1.00 33.45 H new ATOM 0 HG23 THR A 56 0.311 4.883 9.786 1.00 33.45 H new ATOM 798 N ASN A 57 -1.240 2.802 11.193 1.00 41.10 N ATOM 799 CA ASN A 57 -0.903 1.928 12.311 1.00 51.14 C ATOM 800 C ASN A 57 0.481 2.259 12.862 1.00 41.21 C ATOM 801 O ASN A 57 1.300 2.875 12.181 1.00 12.02 O ATOM 802 CB ASN A 57 -0.954 0.464 11.874 1.00 74.31 C ATOM 803 CG ASN A 57 0.344 0.004 11.239 1.00 74.15 C ATOM 804 OD1 ASN A 57 0.616 0.295 10.075 1.00 21.31 O ATOM 805 ND2 ASN A 57 1.154 -0.719 12.006 1.00 51.41 N ATOM 0 H ASN A 57 -0.718 2.613 10.338 1.00 41.10 H new ATOM 0 HA ASN A 57 -1.637 2.090 13.101 1.00 51.14 H new ATOM 0 HB2 ASN A 57 -1.174 -0.163 12.738 1.00 74.31 H new ATOM 0 HB3 ASN A 57 -1.770 0.328 11.165 1.00 74.31 H new ATOM 0 HD21 ASN A 57 2.042 -1.056 11.634 1.00 51.41 H new ATOM 0 HD22 ASN A 57 0.888 -0.936 12.966 1.00 51.41 H new ATOM 812 N SER A 58 0.735 1.844 14.099 1.00 44.42 N ATOM 813 CA SER A 58 2.018 2.099 14.743 1.00 3.31 C ATOM 814 C SER A 58 2.232 1.154 15.921 1.00 33.24 C ATOM 815 O SER A 58 1.927 1.489 17.065 1.00 51.40 O ATOM 816 CB SER A 58 2.095 3.550 15.219 1.00 42.45 C ATOM 817 OG SER A 58 0.799 4.103 15.383 1.00 74.41 O ATOM 0 H SER A 58 0.069 1.330 14.675 1.00 44.42 H new ATOM 0 HA SER A 58 2.805 1.923 14.010 1.00 3.31 H new ATOM 0 HB2 SER A 58 2.636 3.598 16.164 1.00 42.45 H new ATOM 0 HB3 SER A 58 2.658 4.143 14.498 1.00 42.45 H new ATOM 0 HG SER A 58 0.260 3.511 15.949 1.00 74.41 H new ATOM 823 N GLY A 59 2.758 -0.033 15.631 1.00 34.21 N ATOM 824 CA GLY A 59 3.004 -1.010 16.675 1.00 33.43 C ATOM 825 C GLY A 59 1.724 -1.620 17.213 1.00 42.21 C ATOM 826 O GLY A 59 1.245 -2.629 16.697 1.00 54.11 O ATOM 0 H GLY A 59 3.018 -0.335 14.692 1.00 34.21 H new ATOM 0 HA2 GLY A 59 3.643 -1.801 16.284 1.00 33.43 H new ATOM 0 HA3 GLY A 59 3.548 -0.535 17.492 1.00 33.43 H new ATOM 830 N ASP A 60 1.170 -1.005 18.252 1.00 23.51 N ATOM 831 CA ASP A 60 -0.063 -1.494 18.861 1.00 12.51 C ATOM 832 C ASP A 60 -1.111 -0.387 18.928 1.00 54.34 C ATOM 833 O ASP A 60 -2.170 -0.557 19.533 1.00 12.14 O ATOM 834 CB ASP A 60 0.216 -2.035 20.264 1.00 31.32 C ATOM 835 CG ASP A 60 0.342 -3.545 20.286 1.00 75.41 C ATOM 836 OD1 ASP A 60 -0.669 -4.229 20.021 1.00 2.52 O ATOM 837 OD2 ASP A 60 1.451 -4.045 20.571 1.00 42.12 O ATOM 0 H ASP A 60 1.554 -0.168 18.690 1.00 23.51 H new ATOM 0 HA ASP A 60 -0.452 -2.301 18.240 1.00 12.51 H new ATOM 0 HB2 ASP A 60 1.135 -1.591 20.646 1.00 31.32 H new ATOM 0 HB3 ASP A 60 -0.588 -1.730 20.934 1.00 31.32 H new ATOM 842 N HIS A 61 -0.807 0.747 18.305 1.00 0.31 N ATOM 843 CA HIS A 61 -1.723 1.883 18.294 1.00 32.44 C ATOM 844 C HIS A 61 -2.133 2.236 16.868 1.00 3.53 C ATOM 845 O HIS A 61 -1.349 2.084 15.931 1.00 40.12 O ATOM 846 CB HIS A 61 -1.076 3.093 18.967 1.00 13.02 C ATOM 847 CG HIS A 61 -1.869 4.355 18.819 1.00 33.02 C ATOM 848 ND1 HIS A 61 -2.712 4.833 19.799 1.00 41.23 N ATOM 849 CD2 HIS A 61 -1.942 5.240 17.798 1.00 11.34 C ATOM 850 CE1 HIS A 61 -3.271 5.957 19.387 1.00 44.35 C ATOM 851 NE2 HIS A 61 -2.820 6.226 18.174 1.00 71.41 N ATOM 0 H HIS A 61 0.066 0.904 17.801 1.00 0.31 H new ATOM 0 HA HIS A 61 -2.617 1.603 18.851 1.00 32.44 H new ATOM 0 HB2 HIS A 61 -0.942 2.880 20.028 1.00 13.02 H new ATOM 0 HB3 HIS A 61 -0.083 3.246 18.544 1.00 13.02 H new ATOM 0 HD1 HIS A 61 -2.878 4.388 20.702 1.00 41.23 H new ATOM 0 HD2 HIS A 61 -1.408 5.181 16.861 1.00 11.34 H new ATOM 0 HE1 HIS A 61 -3.976 6.554 19.946 1.00 44.35 H new ATOM 859 N TRP A 62 -3.365 2.708 16.711 1.00 52.02 N ATOM 860 CA TRP A 62 -3.878 3.082 15.398 1.00 51.42 C ATOM 861 C TRP A 62 -4.454 4.494 15.422 1.00 24.40 C ATOM 862 O TRP A 62 -4.786 5.023 16.484 1.00 13.35 O ATOM 863 CB TRP A 62 -4.949 2.090 14.944 1.00 35.34 C ATOM 864 CG TRP A 62 -4.391 0.754 14.553 1.00 22.44 C ATOM 865 CD1 TRP A 62 -3.910 -0.211 15.392 1.00 14.55 C ATOM 866 CD2 TRP A 62 -4.257 0.236 13.225 1.00 52.35 C ATOM 867 NE1 TRP A 62 -3.484 -1.297 14.665 1.00 42.55 N ATOM 868 CE2 TRP A 62 -3.687 -1.047 13.334 1.00 15.34 C ATOM 869 CE3 TRP A 62 -4.563 0.731 11.954 1.00 65.52 C ATOM 870 CZ2 TRP A 62 -3.417 -1.838 12.220 1.00 24.44 C ATOM 871 CZ3 TRP A 62 -4.296 -0.055 10.851 1.00 1.04 C ATOM 872 CH2 TRP A 62 -3.728 -1.328 10.988 1.00 24.43 C ATOM 0 H TRP A 62 -4.026 2.841 17.476 1.00 52.02 H new ATOM 0 HA TRP A 62 -3.049 3.059 14.691 1.00 51.42 H new ATOM 0 HB2 TRP A 62 -5.672 1.953 15.748 1.00 35.34 H new ATOM 0 HB3 TRP A 62 -5.490 2.512 14.097 1.00 35.34 H new ATOM 0 HD1 TRP A 62 -3.870 -0.132 16.468 1.00 14.55 H new ATOM 0 HE1 TRP A 62 -3.082 -2.150 15.054 1.00 42.55 H new ATOM 0 HE3 TRP A 62 -5.001 1.711 11.837 1.00 65.52 H new ATOM 0 HZ2 TRP A 62 -2.978 -2.819 12.324 1.00 24.44 H new ATOM 0 HZ3 TRP A 62 -4.529 0.318 9.865 1.00 1.04 H new ATOM 0 HH2 TRP A 62 -3.532 -1.918 10.105 1.00 24.43 H new ATOM 883 N THR A 63 -4.573 5.101 14.245 1.00 55.02 N ATOM 884 CA THR A 63 -5.108 6.452 14.131 1.00 23.44 C ATOM 885 C THR A 63 -5.842 6.642 12.808 1.00 72.14 C ATOM 886 O THR A 63 -5.498 6.023 11.802 1.00 34.11 O ATOM 887 CB THR A 63 -3.994 7.508 14.245 1.00 63.05 C ATOM 888 OG1 THR A 63 -4.569 8.814 14.379 1.00 73.21 O ATOM 889 CG2 THR A 63 -3.086 7.472 13.025 1.00 20.31 C ATOM 0 H THR A 63 -4.306 4.677 13.356 1.00 55.02 H new ATOM 0 HA THR A 63 -5.810 6.586 14.954 1.00 23.44 H new ATOM 0 HB THR A 63 -3.398 7.280 15.129 1.00 63.05 H new ATOM 0 HG1 THR A 63 -3.854 9.480 14.453 1.00 73.21 H new ATOM 0 HG21 THR A 63 -2.307 8.227 13.129 1.00 20.31 H new ATOM 0 HG22 THR A 63 -2.628 6.487 12.942 1.00 20.31 H new ATOM 0 HG23 THR A 63 -3.672 7.676 12.129 1.00 20.31 H new ATOM 897 N ALA A 64 -6.853 7.504 12.818 1.00 4.32 N ATOM 898 CA ALA A 64 -7.633 7.779 11.617 1.00 32.41 C ATOM 899 C ALA A 64 -7.848 9.278 11.433 1.00 22.24 C ATOM 900 O ALA A 64 -8.574 9.910 12.200 1.00 10.32 O ATOM 901 CB ALA A 64 -8.971 7.056 11.680 1.00 35.21 C ATOM 0 H ALA A 64 -7.151 8.024 13.643 1.00 4.32 H new ATOM 0 HA ALA A 64 -7.073 7.411 10.758 1.00 32.41 H new ATOM 0 HB1 ALA A 64 -9.543 7.270 10.777 1.00 35.21 H new ATOM 0 HB2 ALA A 64 -8.801 5.982 11.756 1.00 35.21 H new ATOM 0 HB3 ALA A 64 -9.528 7.398 12.552 1.00 35.21 H new ATOM 907 N LYS A 65 -7.212 9.840 10.412 1.00 13.41 N ATOM 908 CA LYS A 65 -7.332 11.265 10.125 1.00 42.20 C ATOM 909 C LYS A 65 -7.589 11.501 8.640 1.00 61.32 C ATOM 910 O LYS A 65 -7.044 10.801 7.788 1.00 24.10 O ATOM 911 CB LYS A 65 -6.064 12.003 10.559 1.00 3.43 C ATOM 912 CG LYS A 65 -4.806 11.157 10.462 1.00 72.13 C ATOM 913 CD LYS A 65 -4.474 10.812 9.020 1.00 43.40 C ATOM 914 CE LYS A 65 -3.017 10.407 8.865 1.00 3.34 C ATOM 915 NZ LYS A 65 -2.104 11.581 8.924 1.00 43.21 N ATOM 0 H LYS A 65 -6.607 9.330 9.768 1.00 13.41 H new ATOM 0 HA LYS A 65 -8.180 11.653 10.688 1.00 42.20 H new ATOM 0 HB2 LYS A 65 -5.942 12.893 9.942 1.00 3.43 H new ATOM 0 HB3 LYS A 65 -6.185 12.343 11.588 1.00 3.43 H new ATOM 0 HG2 LYS A 65 -3.970 11.694 10.910 1.00 72.13 H new ATOM 0 HG3 LYS A 65 -4.939 10.239 11.035 1.00 72.13 H new ATOM 0 HD2 LYS A 65 -5.117 9.999 8.682 1.00 43.40 H new ATOM 0 HD3 LYS A 65 -4.684 11.670 8.382 1.00 43.40 H new ATOM 0 HE2 LYS A 65 -2.751 9.701 9.652 1.00 3.34 H new ATOM 0 HE3 LYS A 65 -2.883 9.891 7.914 1.00 3.34 H new ATOM 0 HZ1 LYS A 65 -1.153 11.297 8.615 1.00 43.21 H new ATOM 0 HZ2 LYS A 65 -2.462 12.331 8.298 1.00 43.21 H new ATOM 0 HZ3 LYS A 65 -2.059 11.937 9.900 1.00 43.21 H new ATOM 929 N ASN A 66 -8.420 12.493 8.339 1.00 12.21 N ATOM 930 CA ASN A 66 -8.747 12.823 6.956 1.00 63.44 C ATOM 931 C ASN A 66 -8.349 14.259 6.629 1.00 75.25 C ATOM 932 O ASN A 66 -7.962 14.566 5.503 1.00 10.25 O ATOM 933 CB ASN A 66 -10.244 12.628 6.705 1.00 4.25 C ATOM 934 CG ASN A 66 -10.527 12.026 5.341 1.00 13.31 C ATOM 935 OD1 ASN A 66 -9.729 11.250 4.815 1.00 20.32 O ATOM 936 ND2 ASN A 66 -11.667 12.383 4.763 1.00 43.51 N ATOM 0 H ASN A 66 -8.879 13.082 9.033 1.00 12.21 H new ATOM 0 HA ASN A 66 -8.184 12.153 6.306 1.00 63.44 H new ATOM 0 HB2 ASN A 66 -10.658 11.981 7.478 1.00 4.25 H new ATOM 0 HB3 ASN A 66 -10.752 13.589 6.788 1.00 4.25 H new ATOM 0 HD21 ASN A 66 -11.912 12.011 3.845 1.00 43.51 H new ATOM 0 HD22 ASN A 66 -12.298 13.029 5.236 1.00 43.51 H new ATOM 943 N VAL A 67 -8.445 15.135 7.626 1.00 14.34 N ATOM 944 CA VAL A 67 -8.092 16.538 7.445 1.00 32.11 C ATOM 945 C VAL A 67 -6.635 16.791 7.819 1.00 21.41 C ATOM 946 O VAL A 67 -6.313 17.790 8.460 1.00 32.20 O ATOM 947 CB VAL A 67 -8.994 17.455 8.291 1.00 45.53 C ATOM 948 CG1 VAL A 67 -10.388 17.537 7.688 1.00 53.23 C ATOM 949 CG2 VAL A 67 -9.054 16.965 9.729 1.00 73.14 C ATOM 0 H VAL A 67 -8.764 14.897 8.565 1.00 14.34 H new ATOM 0 HA VAL A 67 -8.238 16.769 6.390 1.00 32.11 H new ATOM 0 HB VAL A 67 -8.565 18.457 8.291 1.00 45.53 H new ATOM 0 HG11 VAL A 67 -11.011 18.189 8.300 1.00 53.23 H new ATOM 0 HG12 VAL A 67 -10.324 17.940 6.677 1.00 53.23 H new ATOM 0 HG13 VAL A 67 -10.829 16.541 7.655 1.00 53.23 H new ATOM 0 HG21 VAL A 67 -9.696 17.625 10.312 1.00 73.14 H new ATOM 0 HG22 VAL A 67 -9.458 15.953 9.752 1.00 73.14 H new ATOM 0 HG23 VAL A 67 -8.051 16.965 10.156 1.00 73.14 H new ATOM 959 N GLY A 68 -5.758 15.878 7.412 1.00 2.44 N ATOM 960 CA GLY A 68 -4.346 16.020 7.712 1.00 51.42 C ATOM 961 C GLY A 68 -3.656 17.014 6.798 1.00 61.41 C ATOM 962 O GLY A 68 -2.447 17.223 6.897 1.00 34.34 O ATOM 0 H GLY A 68 -6.001 15.042 6.880 1.00 2.44 H new ATOM 0 HA2 GLY A 68 -4.228 16.340 8.747 1.00 51.42 H new ATOM 0 HA3 GLY A 68 -3.859 15.049 7.621 1.00 51.42 H new ATOM 966 N TRP A 69 -4.424 17.626 5.905 1.00 64.45 N ATOM 967 CA TRP A 69 -3.880 18.601 4.968 1.00 53.12 C ATOM 968 C TRP A 69 -4.489 19.980 5.200 1.00 31.02 C ATOM 969 O TRP A 69 -3.824 21.000 5.026 1.00 22.25 O ATOM 970 CB TRP A 69 -4.134 18.154 3.528 1.00 12.12 C ATOM 971 CG TRP A 69 -5.365 17.311 3.377 1.00 2.42 C ATOM 972 CD1 TRP A 69 -5.464 15.963 3.571 1.00 40.44 C ATOM 973 CD2 TRP A 69 -6.670 17.762 2.997 1.00 30.34 C ATOM 974 NE1 TRP A 69 -6.753 15.548 3.335 1.00 33.12 N ATOM 975 CE2 TRP A 69 -7.512 16.633 2.983 1.00 13.04 C ATOM 976 CE3 TRP A 69 -7.210 19.008 2.671 1.00 3.54 C ATOM 977 CZ2 TRP A 69 -8.862 16.715 2.653 1.00 44.40 C ATOM 978 CZ3 TRP A 69 -8.550 19.089 2.343 1.00 75.52 C ATOM 979 CH2 TRP A 69 -9.364 17.948 2.337 1.00 21.10 C ATOM 0 H TRP A 69 -5.427 17.464 5.810 1.00 64.45 H new ATOM 0 HA TRP A 69 -2.805 18.666 5.136 1.00 53.12 H new ATOM 0 HB2 TRP A 69 -4.225 19.035 2.892 1.00 12.12 H new ATOM 0 HB3 TRP A 69 -3.271 17.592 3.172 1.00 12.12 H new ATOM 0 HD1 TRP A 69 -4.650 15.318 3.866 1.00 40.44 H new ATOM 0 HE1 TRP A 69 -7.090 14.588 3.410 1.00 33.12 H new ATOM 0 HE3 TRP A 69 -6.591 19.893 2.675 1.00 3.54 H new ATOM 0 HZ2 TRP A 69 -9.491 15.837 2.647 1.00 44.40 H new ATOM 0 HZ3 TRP A 69 -8.977 20.047 2.087 1.00 75.52 H new ATOM 0 HH2 TRP A 69 -10.408 18.044 2.078 1.00 21.10 H new ATOM 990 N ASN A 70 -5.758 20.002 5.594 1.00 70.52 N ATOM 991 CA ASN A 70 -6.458 21.256 5.850 1.00 13.13 C ATOM 992 C ASN A 70 -6.687 21.456 7.345 1.00 1.23 C ATOM 993 O ASN A 70 -6.064 22.313 7.970 1.00 64.01 O ATOM 994 CB ASN A 70 -7.797 21.277 5.110 1.00 64.32 C ATOM 995 CG ASN A 70 -7.802 22.256 3.952 1.00 42.10 C ATOM 996 OD1 ASN A 70 -7.777 21.857 2.787 1.00 73.22 O ATOM 997 ND2 ASN A 70 -7.835 23.546 4.268 1.00 31.31 N ATOM 0 H ASN A 70 -6.323 19.166 5.743 1.00 70.52 H new ATOM 0 HA ASN A 70 -5.835 22.072 5.484 1.00 13.13 H new ATOM 0 HB2 ASN A 70 -8.019 20.277 4.738 1.00 64.32 H new ATOM 0 HB3 ASN A 70 -8.591 21.541 5.809 1.00 64.32 H new ATOM 0 HD21 ASN A 70 -7.840 24.252 3.531 1.00 31.31 H new ATOM 0 HD22 ASN A 70 -7.855 23.831 5.247 1.00 31.31 H new ATOM 1004 N GLY A 71 -7.585 20.657 7.913 1.00 23.54 N ATOM 1005 CA GLY A 71 -7.881 20.761 9.330 1.00 53.32 C ATOM 1006 C GLY A 71 -9.006 21.734 9.617 1.00 64.54 C ATOM 1007 O GLY A 71 -9.830 21.500 10.503 1.00 0.04 O ATOM 0 H GLY A 71 -8.113 19.939 7.417 1.00 23.54 H new ATOM 0 HA2 GLY A 71 -8.149 19.777 9.715 1.00 53.32 H new ATOM 0 HA3 GLY A 71 -6.985 21.079 9.863 1.00 53.32 H new ATOM 1011 N THR A 72 -9.044 22.832 8.868 1.00 52.23 N ATOM 1012 CA THR A 72 -10.075 23.846 9.049 1.00 52.13 C ATOM 1013 C THR A 72 -11.464 23.219 9.072 1.00 42.00 C ATOM 1014 O THR A 72 -11.901 22.618 8.090 1.00 64.32 O ATOM 1015 CB THR A 72 -10.021 24.907 7.933 1.00 71.11 C ATOM 1016 OG1 THR A 72 -11.144 25.788 8.040 1.00 22.43 O ATOM 1017 CG2 THR A 72 -10.015 24.249 6.561 1.00 60.53 C ATOM 0 H THR A 72 -8.372 23.041 8.130 1.00 52.23 H new ATOM 0 HA THR A 72 -9.881 24.327 10.007 1.00 52.13 H new ATOM 0 HB THR A 72 -9.100 25.478 8.049 1.00 71.11 H new ATOM 0 HG1 THR A 72 -11.101 26.460 7.328 1.00 22.43 H new ATOM 0 HG21 THR A 72 -9.977 25.018 5.789 1.00 60.53 H new ATOM 0 HG22 THR A 72 -9.143 23.601 6.472 1.00 60.53 H new ATOM 0 HG23 THR A 72 -10.921 23.656 6.438 1.00 60.53 H new ATOM 1025 N LEU A 73 -12.154 23.362 10.198 1.00 60.03 N ATOM 1026 CA LEU A 73 -13.495 22.811 10.349 1.00 21.45 C ATOM 1027 C LEU A 73 -14.372 23.732 11.191 1.00 23.22 C ATOM 1028 O LEU A 73 -13.903 24.347 12.147 1.00 42.44 O ATOM 1029 CB LEU A 73 -13.428 21.424 10.993 1.00 1.43 C ATOM 1030 CG LEU A 73 -14.320 20.350 10.368 1.00 22.12 C ATOM 1031 CD1 LEU A 73 -13.476 19.232 9.776 1.00 73.24 C ATOM 1032 CD2 LEU A 73 -15.293 19.798 11.400 1.00 12.13 C ATOM 0 H LEU A 73 -11.806 23.855 11.020 1.00 60.03 H new ATOM 0 HA LEU A 73 -13.939 22.725 9.357 1.00 21.45 H new ATOM 0 HB2 LEU A 73 -12.395 21.077 10.955 1.00 1.43 H new ATOM 0 HB3 LEU A 73 -13.693 21.521 12.046 1.00 1.43 H new ATOM 0 HG LEU A 73 -14.896 20.807 9.563 1.00 22.12 H new ATOM 0 HD11 LEU A 73 -14.128 18.478 9.336 1.00 73.24 H new ATOM 0 HD12 LEU A 73 -12.821 19.639 9.006 1.00 73.24 H new ATOM 0 HD13 LEU A 73 -12.873 18.777 10.561 1.00 73.24 H new ATOM 0 HD21 LEU A 73 -15.920 19.035 10.938 1.00 12.13 H new ATOM 0 HD22 LEU A 73 -14.736 19.358 12.227 1.00 12.13 H new ATOM 0 HD23 LEU A 73 -15.922 20.605 11.776 1.00 12.13 H new ATOM 1044 N ALA A 74 -15.648 23.820 10.829 1.00 22.20 N ATOM 1045 CA ALA A 74 -16.591 24.662 11.553 1.00 52.04 C ATOM 1046 C ALA A 74 -16.749 24.195 12.996 1.00 25.04 C ATOM 1047 O ALA A 74 -16.434 23.057 13.343 1.00 20.44 O ATOM 1048 CB ALA A 74 -17.940 24.673 10.848 1.00 33.02 C ATOM 0 H ALA A 74 -16.052 23.318 10.038 1.00 22.20 H new ATOM 0 HA ALA A 74 -16.194 25.677 11.569 1.00 52.04 H new ATOM 0 HB1 ALA A 74 -18.634 25.306 11.401 1.00 33.02 H new ATOM 0 HB2 ALA A 74 -17.819 25.063 9.837 1.00 33.02 H new ATOM 0 HB3 ALA A 74 -18.334 23.658 10.801 1.00 33.02 H new ATOM 1054 N PRO A 75 -17.251 25.091 13.858 1.00 54.43 N ATOM 1055 CA PRO A 75 -17.463 24.793 15.277 1.00 73.30 C ATOM 1056 C PRO A 75 -18.600 23.801 15.497 1.00 73.22 C ATOM 1057 O PRO A 75 -18.703 23.186 16.558 1.00 22.44 O ATOM 1058 CB PRO A 75 -17.818 26.155 15.878 1.00 2.23 C ATOM 1059 CG PRO A 75 -18.382 26.934 14.740 1.00 41.34 C ATOM 1060 CD PRO A 75 -17.649 26.467 13.514 1.00 3.13 C ATOM 0 HA PRO A 75 -16.588 24.328 15.730 1.00 73.30 H new ATOM 0 HB2 PRO A 75 -18.542 26.055 16.687 1.00 2.23 H new ATOM 0 HB3 PRO A 75 -16.939 26.645 16.296 1.00 2.23 H new ATOM 0 HG2 PRO A 75 -19.454 26.762 14.643 1.00 41.34 H new ATOM 0 HG3 PRO A 75 -18.244 28.004 14.893 1.00 41.34 H new ATOM 0 HD2 PRO A 75 -18.287 26.492 12.631 1.00 3.13 H new ATOM 0 HD3 PRO A 75 -16.784 27.094 13.300 1.00 3.13 H new ATOM 1068 N GLY A 76 -19.451 23.649 14.487 1.00 54.11 N ATOM 1069 CA GLY A 76 -20.569 22.730 14.591 1.00 14.14 C ATOM 1070 C GLY A 76 -20.810 21.963 13.306 1.00 4.43 C ATOM 1071 O GLY A 76 -21.153 22.552 12.280 1.00 14.35 O ATOM 0 H GLY A 76 -19.386 24.146 13.599 1.00 54.11 H new ATOM 0 HA2 GLY A 76 -20.382 22.026 15.401 1.00 14.14 H new ATOM 0 HA3 GLY A 76 -21.469 23.286 14.853 1.00 14.14 H new ATOM 1075 N ALA A 77 -20.631 20.648 13.360 1.00 40.31 N ATOM 1076 CA ALA A 77 -20.833 19.801 12.192 1.00 34.02 C ATOM 1077 C ALA A 77 -20.591 18.333 12.530 1.00 11.12 C ATOM 1078 O ALA A 77 -20.138 18.005 13.626 1.00 41.21 O ATOM 1079 CB ALA A 77 -19.918 20.240 11.058 1.00 22.12 C ATOM 0 H ALA A 77 -20.346 20.146 14.201 1.00 40.31 H new ATOM 0 HA ALA A 77 -21.869 19.907 11.871 1.00 34.02 H new ATOM 0 HB1 ALA A 77 -20.079 19.599 10.191 1.00 22.12 H new ATOM 0 HB2 ALA A 77 -20.140 21.273 10.791 1.00 22.12 H new ATOM 0 HB3 ALA A 77 -18.879 20.163 11.378 1.00 22.12 H new ATOM 1085 N SER A 78 -20.898 17.454 11.581 1.00 34.31 N ATOM 1086 CA SER A 78 -20.719 16.021 11.780 1.00 71.22 C ATOM 1087 C SER A 78 -19.766 15.442 10.738 1.00 71.52 C ATOM 1088 O SER A 78 -19.915 15.687 9.541 1.00 72.31 O ATOM 1089 CB SER A 78 -22.067 15.302 11.710 1.00 2.44 C ATOM 1090 OG SER A 78 -22.994 15.866 12.622 1.00 20.23 O ATOM 0 H SER A 78 -21.272 17.709 10.667 1.00 34.31 H new ATOM 0 HA SER A 78 -20.285 15.868 12.768 1.00 71.22 H new ATOM 0 HB2 SER A 78 -22.464 15.365 10.697 1.00 2.44 H new ATOM 0 HB3 SER A 78 -21.930 14.244 11.933 1.00 2.44 H new ATOM 0 HG SER A 78 -23.848 15.390 12.557 1.00 20.23 H new ATOM 1096 N VAL A 79 -18.787 14.672 11.203 1.00 2.10 N ATOM 1097 CA VAL A 79 -17.810 14.057 10.312 1.00 64.45 C ATOM 1098 C VAL A 79 -17.557 12.603 10.694 1.00 65.51 C ATOM 1099 O VAL A 79 -16.948 12.318 11.726 1.00 14.33 O ATOM 1100 CB VAL A 79 -16.473 14.821 10.333 1.00 51.32 C ATOM 1101 CG1 VAL A 79 -16.593 16.127 9.563 1.00 43.25 C ATOM 1102 CG2 VAL A 79 -16.027 15.076 11.764 1.00 54.12 C ATOM 0 H VAL A 79 -18.649 14.459 12.191 1.00 2.10 H new ATOM 0 HA VAL A 79 -18.228 14.098 9.306 1.00 64.45 H new ATOM 0 HB VAL A 79 -15.716 14.207 9.845 1.00 51.32 H new ATOM 0 HG11 VAL A 79 -15.639 16.653 9.589 1.00 43.25 H new ATOM 0 HG12 VAL A 79 -16.863 15.916 8.528 1.00 43.25 H new ATOM 0 HG13 VAL A 79 -17.363 16.749 10.019 1.00 43.25 H new ATOM 0 HG21 VAL A 79 -15.081 15.617 11.759 1.00 54.12 H new ATOM 0 HG22 VAL A 79 -16.782 15.670 12.280 1.00 54.12 H new ATOM 0 HG23 VAL A 79 -15.899 14.125 12.280 1.00 54.12 H new ATOM 1112 N SER A 80 -18.030 11.686 9.857 1.00 2.42 N ATOM 1113 CA SER A 80 -17.859 10.260 10.108 1.00 62.25 C ATOM 1114 C SER A 80 -16.950 9.628 9.058 1.00 42.43 C ATOM 1115 O SER A 80 -16.696 10.216 8.007 1.00 1.43 O ATOM 1116 CB SER A 80 -19.216 9.555 10.114 1.00 23.41 C ATOM 1117 OG SER A 80 -19.706 9.378 8.795 1.00 51.44 O ATOM 0 H SER A 80 -18.535 11.905 8.998 1.00 2.42 H new ATOM 0 HA SER A 80 -17.392 10.143 11.086 1.00 62.25 H new ATOM 0 HB2 SER A 80 -19.123 8.586 10.604 1.00 23.41 H new ATOM 0 HB3 SER A 80 -19.930 10.139 10.695 1.00 23.41 H new ATOM 0 HG SER A 80 -20.574 8.924 8.827 1.00 51.44 H new ATOM 1123 N PHE A 81 -16.462 8.428 9.352 1.00 41.01 N ATOM 1124 CA PHE A 81 -15.579 7.717 8.435 1.00 25.24 C ATOM 1125 C PHE A 81 -15.653 6.210 8.667 1.00 74.52 C ATOM 1126 O PHE A 81 -15.581 5.742 9.803 1.00 13.40 O ATOM 1127 CB PHE A 81 -14.138 8.200 8.602 1.00 13.43 C ATOM 1128 CG PHE A 81 -13.558 7.898 9.954 1.00 72.31 C ATOM 1129 CD1 PHE A 81 -13.689 8.802 10.997 1.00 23.34 C ATOM 1130 CD2 PHE A 81 -12.879 6.712 10.183 1.00 31.13 C ATOM 1131 CE1 PHE A 81 -13.158 8.527 12.242 1.00 54.44 C ATOM 1132 CE2 PHE A 81 -12.345 6.432 11.427 1.00 62.21 C ATOM 1133 CZ PHE A 81 -12.483 7.341 12.457 1.00 25.41 C ATOM 0 H PHE A 81 -16.663 7.927 10.218 1.00 41.01 H new ATOM 0 HA PHE A 81 -15.909 7.927 7.418 1.00 25.24 H new ATOM 0 HB2 PHE A 81 -13.516 7.735 7.837 1.00 13.43 H new ATOM 0 HB3 PHE A 81 -14.102 9.276 8.432 1.00 13.43 H new ATOM 0 HD1 PHE A 81 -14.213 9.732 10.834 1.00 23.34 H new ATOM 0 HD2 PHE A 81 -12.766 5.998 9.380 1.00 31.13 H new ATOM 0 HE1 PHE A 81 -13.270 9.238 13.047 1.00 54.44 H new ATOM 0 HE2 PHE A 81 -11.820 5.503 11.593 1.00 62.21 H new ATOM 0 HZ PHE A 81 -12.064 7.125 13.429 1.00 25.41 H new ATOM 1143 N GLY A 82 -15.798 5.455 7.582 1.00 44.14 N ATOM 1144 CA GLY A 82 -15.880 4.010 7.689 1.00 65.45 C ATOM 1145 C GLY A 82 -14.625 3.321 7.196 1.00 35.51 C ATOM 1146 O GLY A 82 -13.725 3.964 6.654 1.00 24.33 O ATOM 0 H GLY A 82 -15.860 5.818 6.631 1.00 44.14 H new ATOM 0 HA2 GLY A 82 -16.057 3.735 8.729 1.00 65.45 H new ATOM 0 HA3 GLY A 82 -16.736 3.654 7.115 1.00 65.45 H new ATOM 1150 N PHE A 83 -14.560 2.007 7.386 1.00 73.41 N ATOM 1151 CA PHE A 83 -13.402 1.229 6.958 1.00 73.35 C ATOM 1152 C PHE A 83 -13.638 -0.263 7.179 1.00 2.40 C ATOM 1153 O PHE A 83 -14.671 -0.666 7.714 1.00 55.11 O ATOM 1154 CB PHE A 83 -12.152 1.677 7.719 1.00 32.12 C ATOM 1155 CG PHE A 83 -12.110 1.194 9.140 1.00 52.04 C ATOM 1156 CD1 PHE A 83 -11.571 -0.044 9.450 1.00 54.30 C ATOM 1157 CD2 PHE A 83 -12.609 1.979 10.167 1.00 75.33 C ATOM 1158 CE1 PHE A 83 -11.531 -0.491 10.758 1.00 44.42 C ATOM 1159 CE2 PHE A 83 -12.572 1.538 11.477 1.00 11.35 C ATOM 1160 CZ PHE A 83 -12.031 0.302 11.772 1.00 22.11 C ATOM 0 H PHE A 83 -15.295 1.459 7.833 1.00 73.41 H new ATOM 0 HA PHE A 83 -13.252 1.402 5.892 1.00 73.35 H new ATOM 0 HB2 PHE A 83 -11.268 1.315 7.194 1.00 32.12 H new ATOM 0 HB3 PHE A 83 -12.103 2.766 7.712 1.00 32.12 H new ATOM 0 HD1 PHE A 83 -11.177 -0.667 8.661 1.00 54.30 H new ATOM 0 HD2 PHE A 83 -13.032 2.947 9.942 1.00 75.33 H new ATOM 0 HE1 PHE A 83 -11.109 -1.459 10.986 1.00 44.42 H new ATOM 0 HE2 PHE A 83 -12.965 2.159 12.268 1.00 11.35 H new ATOM 0 HZ PHE A 83 -11.999 -0.044 12.795 1.00 22.11 H new ATOM 1170 N ASN A 84 -12.674 -1.076 6.762 1.00 44.40 N ATOM 1171 CA ASN A 84 -12.776 -2.523 6.912 1.00 23.02 C ATOM 1172 C ASN A 84 -11.515 -3.094 7.552 1.00 14.14 C ATOM 1173 O ASN A 84 -10.401 -2.683 7.228 1.00 21.41 O ATOM 1174 CB ASN A 84 -13.015 -3.182 5.552 1.00 14.22 C ATOM 1175 CG ASN A 84 -14.277 -2.678 4.879 1.00 15.53 C ATOM 1176 OD1 ASN A 84 -14.286 -2.404 3.678 1.00 61.35 O ATOM 1177 ND2 ASN A 84 -15.349 -2.553 5.651 1.00 24.14 N ATOM 0 H ASN A 84 -11.813 -0.758 6.317 1.00 44.40 H new ATOM 0 HA ASN A 84 -13.622 -2.737 7.565 1.00 23.02 H new ATOM 0 HB2 ASN A 84 -12.160 -2.991 4.904 1.00 14.22 H new ATOM 0 HB3 ASN A 84 -13.082 -4.262 5.682 1.00 14.22 H new ATOM 0 HD21 ASN A 84 -16.227 -2.218 5.254 1.00 24.14 H new ATOM 0 HD22 ASN A 84 -15.295 -2.792 6.641 1.00 24.14 H new ATOM 1184 N GLY A 85 -11.697 -4.046 8.462 1.00 25.31 N ATOM 1185 CA GLY A 85 -10.566 -4.659 9.133 1.00 42.20 C ATOM 1186 C GLY A 85 -10.763 -6.144 9.362 1.00 30.13 C ATOM 1187 O GLY A 85 -11.892 -6.637 9.350 1.00 15.05 O ATOM 0 H GLY A 85 -12.609 -4.404 8.747 1.00 25.31 H new ATOM 0 HA2 GLY A 85 -9.666 -4.503 8.538 1.00 42.20 H new ATOM 0 HA3 GLY A 85 -10.405 -4.165 10.091 1.00 42.20 H new ATOM 1191 N SER A 86 -9.663 -6.861 9.570 1.00 1.02 N ATOM 1192 CA SER A 86 -9.719 -8.300 9.798 1.00 44.23 C ATOM 1193 C SER A 86 -9.549 -8.623 11.279 1.00 63.12 C ATOM 1194 O SER A 86 -8.477 -8.426 11.850 1.00 2.43 O ATOM 1195 CB SER A 86 -8.637 -9.009 8.982 1.00 24.10 C ATOM 1196 OG SER A 86 -9.184 -10.081 8.233 1.00 13.42 O ATOM 0 H SER A 86 -8.722 -6.468 9.585 1.00 1.02 H new ATOM 0 HA SER A 86 -10.698 -8.656 9.477 1.00 44.23 H new ATOM 0 HB2 SER A 86 -8.160 -8.297 8.309 1.00 24.10 H new ATOM 0 HB3 SER A 86 -7.862 -9.386 9.649 1.00 24.10 H new ATOM 0 HG SER A 86 -8.473 -10.517 7.719 1.00 13.42 H new ATOM 1202 N GLY A 87 -10.617 -9.120 11.896 1.00 75.43 N ATOM 1203 CA GLY A 87 -10.565 -9.463 13.306 1.00 1.32 C ATOM 1204 C GLY A 87 -11.926 -9.390 13.970 1.00 44.31 C ATOM 1205 O GLY A 87 -12.965 -9.472 13.315 1.00 60.34 O ATOM 0 H GLY A 87 -11.516 -9.291 11.446 1.00 75.43 H new ATOM 0 HA2 GLY A 87 -10.163 -10.470 13.417 1.00 1.32 H new ATOM 0 HA3 GLY A 87 -9.878 -8.788 13.816 1.00 1.32 H new ATOM 1209 N PRO A 88 -11.931 -9.232 15.302 1.00 71.42 N ATOM 1210 CA PRO A 88 -13.168 -9.145 16.084 1.00 13.21 C ATOM 1211 C PRO A 88 -13.925 -7.847 15.830 1.00 42.21 C ATOM 1212 O PRO A 88 -15.148 -7.846 15.697 1.00 63.11 O ATOM 1213 CB PRO A 88 -12.676 -9.202 17.533 1.00 4.23 C ATOM 1214 CG PRO A 88 -11.277 -8.692 17.478 1.00 62.11 C ATOM 1215 CD PRO A 88 -10.729 -9.126 16.147 1.00 4.01 C ATOM 0 HA PRO A 88 -13.870 -9.938 15.826 1.00 13.21 H new ATOM 0 HB2 PRO A 88 -13.296 -8.588 18.186 1.00 4.23 H new ATOM 0 HB3 PRO A 88 -12.712 -10.219 17.924 1.00 4.23 H new ATOM 0 HG2 PRO A 88 -11.253 -7.607 17.574 1.00 62.11 H new ATOM 0 HG3 PRO A 88 -10.682 -9.098 18.296 1.00 62.11 H new ATOM 0 HD2 PRO A 88 -10.020 -8.400 15.748 1.00 4.01 H new ATOM 0 HD3 PRO A 88 -10.204 -10.078 16.220 1.00 4.01 H new ATOM 1223 N GLY A 89 -13.189 -6.741 15.761 1.00 31.34 N ATOM 1224 CA GLY A 89 -13.809 -5.451 15.522 1.00 23.04 C ATOM 1225 C GLY A 89 -14.276 -4.787 16.802 1.00 62.05 C ATOM 1226 O GLY A 89 -15.213 -3.988 16.789 1.00 22.02 O ATOM 0 H GLY A 89 -12.175 -6.716 15.866 1.00 31.34 H new ATOM 0 HA2 GLY A 89 -13.098 -4.798 15.016 1.00 23.04 H new ATOM 0 HA3 GLY A 89 -14.659 -5.578 14.851 1.00 23.04 H new ATOM 1230 N SER A 90 -13.623 -5.116 17.912 1.00 4.44 N ATOM 1231 CA SER A 90 -13.981 -4.550 19.206 1.00 51.11 C ATOM 1232 C SER A 90 -12.871 -3.641 19.727 1.00 14.31 C ATOM 1233 O SER A 90 -12.113 -3.998 20.630 1.00 32.24 O ATOM 1234 CB SER A 90 -14.258 -5.665 20.216 1.00 0.25 C ATOM 1235 OG SER A 90 -14.443 -5.140 21.519 1.00 52.31 O ATOM 0 H SER A 90 -12.843 -5.772 17.940 1.00 4.44 H new ATOM 0 HA SER A 90 -14.885 -3.954 19.076 1.00 51.11 H new ATOM 0 HB2 SER A 90 -15.147 -6.220 19.915 1.00 0.25 H new ATOM 0 HB3 SER A 90 -13.427 -6.371 20.220 1.00 0.25 H new ATOM 0 HG SER A 90 -14.620 -5.873 22.145 1.00 52.31 H new ATOM 1241 N PRO A 91 -12.770 -2.438 19.144 1.00 21.01 N ATOM 1242 CA PRO A 91 -11.756 -1.453 19.532 1.00 42.12 C ATOM 1243 C PRO A 91 -12.015 -0.869 20.917 1.00 25.32 C ATOM 1244 O PRO A 91 -13.138 -0.916 21.421 1.00 51.34 O ATOM 1245 CB PRO A 91 -11.889 -0.366 18.462 1.00 10.35 C ATOM 1246 CG PRO A 91 -13.291 -0.485 17.973 1.00 25.51 C ATOM 1247 CD PRO A 91 -13.639 -1.945 18.062 1.00 31.22 C ATOM 0 HA PRO A 91 -10.761 -1.895 19.590 1.00 42.12 H new ATOM 0 HB2 PRO A 91 -11.697 0.623 18.877 1.00 10.35 H new ATOM 0 HB3 PRO A 91 -11.174 -0.517 17.654 1.00 10.35 H new ATOM 0 HG2 PRO A 91 -13.968 0.115 18.581 1.00 25.51 H new ATOM 0 HG3 PRO A 91 -13.378 -0.125 16.948 1.00 25.51 H new ATOM 0 HD2 PRO A 91 -14.694 -2.093 18.295 1.00 31.22 H new ATOM 0 HD3 PRO A 91 -13.444 -2.462 17.123 1.00 31.22 H new ATOM 1255 N SER A 92 -10.970 -0.321 21.529 1.00 44.51 N ATOM 1256 CA SER A 92 -11.084 0.270 22.857 1.00 31.13 C ATOM 1257 C SER A 92 -10.217 1.518 22.974 1.00 51.53 C ATOM 1258 O SER A 92 -9.354 1.769 22.133 1.00 34.40 O ATOM 1259 CB SER A 92 -10.680 -0.748 23.926 1.00 52.21 C ATOM 1260 OG SER A 92 -11.265 -2.014 23.674 1.00 44.22 O ATOM 0 H SER A 92 -10.034 -0.274 21.126 1.00 44.51 H new ATOM 0 HA SER A 92 -12.124 0.557 23.012 1.00 31.13 H new ATOM 0 HB2 SER A 92 -9.594 -0.844 23.949 1.00 52.21 H new ATOM 0 HB3 SER A 92 -10.989 -0.390 24.908 1.00 52.21 H new ATOM 0 HG SER A 92 -10.990 -2.646 24.370 1.00 44.22 H new ATOM 1266 N ASN A 93 -10.454 2.300 24.021 1.00 62.33 N ATOM 1267 CA ASN A 93 -9.695 3.525 24.249 1.00 23.22 C ATOM 1268 C ASN A 93 -9.834 4.479 23.067 1.00 2.33 C ATOM 1269 O ASN A 93 -8.856 4.787 22.386 1.00 12.22 O ATOM 1270 CB ASN A 93 -8.219 3.198 24.485 1.00 42.22 C ATOM 1271 CG ASN A 93 -8.029 2.027 25.428 1.00 31.00 C ATOM 1272 OD1 ASN A 93 -7.489 0.988 25.046 1.00 40.35 O ATOM 1273 ND2 ASN A 93 -8.475 2.188 26.669 1.00 3.04 N ATOM 0 H ASN A 93 -11.166 2.108 24.726 1.00 62.33 H new ATOM 0 HA ASN A 93 -10.098 4.013 25.136 1.00 23.22 H new ATOM 0 HB2 ASN A 93 -7.743 2.973 23.531 1.00 42.22 H new ATOM 0 HB3 ASN A 93 -7.716 4.075 24.893 1.00 42.22 H new ATOM 0 HD21 ASN A 93 -8.376 1.434 27.348 1.00 3.04 H new ATOM 0 HD22 ASN A 93 -8.916 3.066 26.942 1.00 3.04 H new ATOM 1280 N CYS A 94 -11.056 4.943 22.829 1.00 11.13 N ATOM 1281 CA CYS A 94 -11.324 5.862 21.728 1.00 32.12 C ATOM 1282 C CYS A 94 -10.925 7.286 22.100 1.00 24.01 C ATOM 1283 O CYS A 94 -11.718 8.035 22.672 1.00 3.02 O ATOM 1284 CB CYS A 94 -12.804 5.817 21.348 1.00 24.22 C ATOM 1285 SG CYS A 94 -13.279 7.018 20.083 1.00 44.32 S ATOM 0 H CYS A 94 -11.877 4.698 23.383 1.00 11.13 H new ATOM 0 HA CYS A 94 -10.727 5.549 20.872 1.00 32.12 H new ATOM 0 HB2 CYS A 94 -13.046 4.816 20.992 1.00 24.22 H new ATOM 0 HB3 CYS A 94 -13.403 5.991 22.242 1.00 24.22 H new ATOM 0 HG CYS A 94 -13.814 6.397 19.074 1.00 44.32 H new ATOM 1291 N LYS A 95 -9.691 7.655 21.773 1.00 23.32 N ATOM 1292 CA LYS A 95 -9.186 8.989 22.072 1.00 31.35 C ATOM 1293 C LYS A 95 -9.020 9.807 20.796 1.00 1.02 C ATOM 1294 O LYS A 95 -8.249 9.441 19.907 1.00 45.14 O ATOM 1295 CB LYS A 95 -7.847 8.896 22.808 1.00 71.21 C ATOM 1296 CG LYS A 95 -6.885 7.891 22.198 1.00 24.45 C ATOM 1297 CD LYS A 95 -6.751 6.651 23.066 1.00 32.22 C ATOM 1298 CE LYS A 95 -5.563 6.757 24.010 1.00 4.31 C ATOM 1299 NZ LYS A 95 -5.986 7.106 25.395 1.00 14.43 N ATOM 0 H LYS A 95 -9.022 7.048 21.300 1.00 23.32 H new ATOM 0 HA LYS A 95 -9.912 9.490 22.712 1.00 31.35 H new ATOM 0 HB2 LYS A 95 -7.376 9.879 22.814 1.00 71.21 H new ATOM 0 HB3 LYS A 95 -8.032 8.625 23.847 1.00 71.21 H new ATOM 0 HG2 LYS A 95 -7.236 7.606 21.206 1.00 24.45 H new ATOM 0 HG3 LYS A 95 -5.907 8.354 22.069 1.00 24.45 H new ATOM 0 HD2 LYS A 95 -7.664 6.509 23.644 1.00 32.22 H new ATOM 0 HD3 LYS A 95 -6.636 5.772 22.432 1.00 32.22 H new ATOM 0 HE2 LYS A 95 -5.023 5.810 24.023 1.00 4.31 H new ATOM 0 HE3 LYS A 95 -4.871 7.513 23.640 1.00 4.31 H new ATOM 0 HZ1 LYS A 95 -5.148 7.169 26.008 1.00 14.43 H new ATOM 0 HZ2 LYS A 95 -6.479 8.022 25.387 1.00 14.43 H new ATOM 0 HZ3 LYS A 95 -6.626 6.371 25.758 1.00 14.43 H new ATOM 1313 N LEU A 96 -9.748 10.915 20.711 1.00 40.23 N ATOM 1314 CA LEU A 96 -9.681 11.787 19.543 1.00 54.01 C ATOM 1315 C LEU A 96 -9.471 13.240 19.959 1.00 34.24 C ATOM 1316 O LEU A 96 -9.812 13.632 21.073 1.00 75.24 O ATOM 1317 CB LEU A 96 -10.960 11.662 18.714 1.00 31.50 C ATOM 1318 CG LEU A 96 -12.221 12.265 19.332 1.00 23.02 C ATOM 1319 CD1 LEU A 96 -12.355 13.731 18.949 1.00 5.22 C ATOM 1320 CD2 LEU A 96 -13.454 11.485 18.898 1.00 33.43 C ATOM 0 H LEU A 96 -10.391 11.231 21.437 1.00 40.23 H new ATOM 0 HA LEU A 96 -8.831 11.475 18.937 1.00 54.01 H new ATOM 0 HB2 LEU A 96 -10.791 12.136 17.747 1.00 31.50 H new ATOM 0 HB3 LEU A 96 -11.143 10.605 18.522 1.00 31.50 H new ATOM 0 HG LEU A 96 -12.137 12.200 20.417 1.00 23.02 H new ATOM 0 HD11 LEU A 96 -13.259 14.143 19.398 1.00 5.22 H new ATOM 0 HD12 LEU A 96 -11.487 14.282 19.310 1.00 5.22 H new ATOM 0 HD13 LEU A 96 -12.416 13.820 17.864 1.00 5.22 H new ATOM 0 HD21 LEU A 96 -14.342 11.929 19.348 1.00 33.43 H new ATOM 0 HD22 LEU A 96 -13.542 11.518 17.812 1.00 33.43 H new ATOM 0 HD23 LEU A 96 -13.362 10.449 19.223 1.00 33.43 H new ATOM 1332 N ASN A 97 -8.909 14.034 19.053 1.00 2.24 N ATOM 1333 CA ASN A 97 -8.655 15.444 19.325 1.00 44.32 C ATOM 1334 C ASN A 97 -7.675 15.607 20.482 1.00 45.05 C ATOM 1335 O ASN A 97 -7.613 16.661 21.114 1.00 44.21 O ATOM 1336 CB ASN A 97 -9.965 16.166 19.647 1.00 4.11 C ATOM 1337 CG ASN A 97 -9.839 17.673 19.529 1.00 12.04 C ATOM 1338 OD1 ASN A 97 -8.862 18.184 18.981 1.00 31.01 O ATOM 1339 ND2 ASN A 97 -10.829 18.392 20.046 1.00 14.33 N ATOM 0 H ASN A 97 -8.621 13.725 18.125 1.00 2.24 H new ATOM 0 HA ASN A 97 -8.213 15.887 18.432 1.00 44.32 H new ATOM 0 HB2 ASN A 97 -10.745 15.815 18.972 1.00 4.11 H new ATOM 0 HB3 ASN A 97 -10.279 15.909 20.658 1.00 4.11 H new ATOM 0 HD21 ASN A 97 -10.799 19.410 19.998 1.00 14.33 H new ATOM 0 HD22 ASN A 97 -11.620 17.926 20.491 1.00 14.33 H new ATOM 1346 N GLY A 98 -6.909 14.555 20.754 1.00 70.12 N ATOM 1347 CA GLY A 98 -5.941 14.602 21.836 1.00 11.35 C ATOM 1348 C GLY A 98 -6.457 13.953 23.104 1.00 40.11 C ATOM 1349 O GLY A 98 -6.011 14.281 24.203 1.00 22.42 O ATOM 0 H GLY A 98 -6.941 13.671 20.245 1.00 70.12 H new ATOM 0 HA2 GLY A 98 -5.025 14.101 21.522 1.00 11.35 H new ATOM 0 HA3 GLY A 98 -5.682 15.640 22.043 1.00 11.35 H new ATOM 1353 N GLY A 99 -7.403 13.031 22.953 1.00 73.35 N ATOM 1354 CA GLY A 99 -7.966 12.351 24.105 1.00 53.10 C ATOM 1355 C GLY A 99 -9.224 13.024 24.618 1.00 72.32 C ATOM 1356 O GLY A 99 -9.215 13.643 25.682 1.00 53.51 O ATOM 0 H GLY A 99 -7.789 12.743 22.054 1.00 73.35 H new ATOM 0 HA2 GLY A 99 -8.193 11.319 23.839 1.00 53.10 H new ATOM 0 HA3 GLY A 99 -7.224 12.319 24.903 1.00 53.10 H new ATOM 1360 N SER A 100 -10.308 12.905 23.860 1.00 4.33 N ATOM 1361 CA SER A 100 -11.578 13.511 24.241 1.00 65.23 C ATOM 1362 C SER A 100 -12.747 12.788 23.579 1.00 21.31 C ATOM 1363 O SER A 100 -13.005 12.963 22.387 1.00 61.04 O ATOM 1364 CB SER A 100 -11.596 14.992 23.856 1.00 62.21 C ATOM 1365 OG SER A 100 -12.776 15.625 24.319 1.00 23.52 O ATOM 0 H SER A 100 -10.333 12.394 22.978 1.00 4.33 H new ATOM 0 HA SER A 100 -11.684 13.422 25.322 1.00 65.23 H new ATOM 0 HB2 SER A 100 -10.723 15.491 24.277 1.00 62.21 H new ATOM 0 HB3 SER A 100 -11.528 15.090 22.773 1.00 62.21 H new ATOM 0 HG SER A 100 -12.763 16.571 24.062 1.00 23.52 H new ATOM 1371 N CYS A 101 -13.449 11.974 24.360 1.00 4.34 N ATOM 1372 CA CYS A 101 -14.590 11.222 23.849 1.00 55.10 C ATOM 1373 C CYS A 101 -15.631 11.005 24.943 1.00 12.31 C ATOM 1374 O CYS A 101 -15.291 10.693 26.085 1.00 51.32 O ATOM 1375 CB CYS A 101 -14.130 9.874 23.292 1.00 4.32 C ATOM 1376 SG CYS A 101 -15.483 8.784 22.788 1.00 44.13 S ATOM 0 H CYS A 101 -13.249 11.818 25.348 1.00 4.34 H new ATOM 0 HA CYS A 101 -15.047 11.802 23.047 1.00 55.10 H new ATOM 0 HB2 CYS A 101 -13.480 10.050 22.435 1.00 4.32 H new ATOM 0 HB3 CYS A 101 -13.530 9.366 24.047 1.00 4.32 H new ATOM 0 HG CYS A 101 -16.214 9.384 21.896 1.00 44.13 H new