USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 584 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 1 GLY N :NH3+ -123:sc= 0.106 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00147 USER MOD Single : A 8 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.098) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 27 GLN : amide:sc= -0.927! K(o=-0.93!,f=-0.027) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0.835 (180deg=0.619) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -170:sc= -0.209 USER MOD Single : A 42 TYR OH : rot 0:sc= 0.719 USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.18) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.43! K(o=-1.4!,f=0.028) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00777 USER MOD Single : A 67 MET CE :methyl -149:sc= -2.11 (180deg=-3.19!) USER MOD Single : A 69 THR OG1 : rot -150:sc= 0.739 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.971 -6.293 -8.113 1.00 35.34 N ATOM 2 CA GLY A 1 11.390 -7.503 -7.374 1.00 55.43 C ATOM 3 C GLY A 1 10.548 -7.725 -6.140 1.00 51.14 C ATOM 4 O GLY A 1 9.548 -7.028 -5.937 1.00 72.35 O ATOM 0 H1 GLY A 1 10.727 -6.550 -9.091 1.00 35.34 H new ATOM 0 H2 GLY A 1 10.141 -5.872 -7.648 1.00 35.34 H new ATOM 0 H3 GLY A 1 11.750 -5.604 -8.121 1.00 35.34 H new ATOM 0 HA2 GLY A 1 11.314 -8.372 -8.027 1.00 55.43 H new ATOM 0 HA3 GLY A 1 12.438 -7.410 -7.088 1.00 55.43 H new ATOM 10 N PRO A 2 10.920 -8.700 -5.297 1.00 72.10 N ATOM 11 CA PRO A 2 10.223 -8.966 -4.039 1.00 11.23 C ATOM 12 C PRO A 2 10.339 -7.789 -3.076 1.00 35.21 C ATOM 13 O PRO A 2 11.439 -7.298 -2.805 1.00 11.13 O ATOM 14 CB PRO A 2 10.937 -10.200 -3.475 1.00 52.12 C ATOM 15 CG PRO A 2 12.268 -10.215 -4.148 1.00 45.52 C ATOM 16 CD PRO A 2 12.048 -9.622 -5.510 1.00 34.41 C ATOM 0 HA PRO A 2 9.154 -9.122 -4.185 1.00 11.23 H new ATOM 0 HB2 PRO A 2 11.043 -10.135 -2.392 1.00 52.12 H new ATOM 0 HB3 PRO A 2 10.377 -11.111 -3.686 1.00 52.12 H new ATOM 0 HG2 PRO A 2 12.998 -9.635 -3.583 1.00 45.52 H new ATOM 0 HG3 PRO A 2 12.656 -11.231 -4.222 1.00 45.52 H new ATOM 0 HD2 PRO A 2 12.934 -9.098 -5.869 1.00 34.41 H new ATOM 0 HD3 PRO A 2 11.809 -10.387 -6.249 1.00 34.41 H new ATOM 24 N THR A 3 9.203 -7.333 -2.573 1.00 75.23 N ATOM 25 CA THR A 3 9.178 -6.207 -1.660 1.00 20.44 C ATOM 26 C THR A 3 8.272 -6.495 -0.460 1.00 14.14 C ATOM 27 O THR A 3 7.046 -6.398 -0.534 1.00 41.35 O ATOM 28 CB THR A 3 8.750 -4.903 -2.385 1.00 44.42 C ATOM 29 OG1 THR A 3 8.665 -3.817 -1.455 1.00 62.22 O ATOM 30 CG2 THR A 3 7.417 -5.063 -3.110 1.00 1.30 C ATOM 0 H THR A 3 8.286 -7.728 -2.783 1.00 75.23 H new ATOM 0 HA THR A 3 10.191 -6.058 -1.287 1.00 20.44 H new ATOM 0 HB THR A 3 9.515 -4.686 -3.131 1.00 44.42 H new ATOM 0 HG1 THR A 3 8.396 -3.002 -1.928 1.00 62.22 H new ATOM 0 HG21 THR A 3 7.156 -4.127 -3.603 1.00 1.30 H new ATOM 0 HG22 THR A 3 7.501 -5.854 -3.855 1.00 1.30 H new ATOM 0 HG23 THR A 3 6.640 -5.323 -2.391 1.00 1.30 H new ATOM 38 N SER A 4 8.892 -6.880 0.644 1.00 71.02 N ATOM 39 CA SER A 4 8.173 -7.171 1.875 1.00 42.34 C ATOM 40 C SER A 4 9.064 -6.860 3.070 1.00 25.41 C ATOM 41 O SER A 4 10.288 -6.966 2.977 1.00 72.11 O ATOM 42 CB SER A 4 7.740 -8.641 1.911 1.00 74.12 C ATOM 43 OG SER A 4 6.907 -8.966 0.805 1.00 34.13 O ATOM 0 H SER A 4 9.903 -6.999 0.713 1.00 71.02 H new ATOM 0 HA SER A 4 7.279 -6.549 1.917 1.00 42.34 H new ATOM 0 HB2 SER A 4 8.622 -9.281 1.904 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.207 -8.842 2.841 1.00 74.12 H new ATOM 0 HG SER A 4 6.649 -9.910 0.856 1.00 34.13 H new ATOM 49 N GLU A 5 8.461 -6.468 4.179 1.00 73.11 N ATOM 50 CA GLU A 5 9.219 -6.165 5.380 1.00 2.22 C ATOM 51 C GLU A 5 9.237 -7.381 6.293 1.00 63.11 C ATOM 52 O GLU A 5 8.284 -7.633 7.035 1.00 33.12 O ATOM 53 CB GLU A 5 8.606 -4.962 6.100 1.00 74.03 C ATOM 54 CG GLU A 5 8.552 -3.710 5.240 1.00 3.23 C ATOM 55 CD GLU A 5 7.756 -2.595 5.882 1.00 61.35 C ATOM 56 OE1 GLU A 5 8.356 -1.727 6.547 1.00 21.51 O ATOM 57 OE2 GLU A 5 6.519 -2.570 5.712 1.00 22.25 O1- ATOM 0 H GLU A 5 7.452 -6.352 4.273 1.00 73.11 H new ATOM 0 HA GLU A 5 10.244 -5.915 5.106 1.00 2.22 H new ATOM 0 HB2 GLU A 5 7.596 -5.216 6.423 1.00 74.03 H new ATOM 0 HB3 GLU A 5 9.185 -4.752 6.999 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.567 -3.362 5.048 1.00 3.23 H new ATOM 0 HG3 GLU A 5 8.111 -3.956 4.274 1.00 3.23 H new ATOM 64 N GLY A 6 10.312 -8.146 6.213 1.00 13.15 N ATOM 65 CA GLY A 6 10.422 -9.349 6.999 1.00 42.42 C ATOM 66 C GLY A 6 11.848 -9.835 7.111 1.00 52.24 C ATOM 67 O GLY A 6 12.718 -9.417 6.343 1.00 3.43 O ATOM 0 H GLY A 6 11.114 -7.952 5.613 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.024 -9.165 7.997 1.00 42.42 H new ATOM 0 HA3 GLY A 6 9.809 -10.130 6.550 1.00 42.42 H new ATOM 71 N CYS A 7 12.078 -10.721 8.060 1.00 10.20 N ATOM 72 CA CYS A 7 13.392 -11.298 8.281 1.00 70.11 C ATOM 73 C CYS A 7 13.491 -12.658 7.600 1.00 4.44 C ATOM 74 O CYS A 7 12.477 -13.334 7.397 1.00 72.14 O ATOM 75 CB CYS A 7 13.655 -11.444 9.779 1.00 4.33 C ATOM 76 SG CYS A 7 13.508 -9.890 10.721 1.00 21.12 S ATOM 0 H CYS A 7 11.361 -11.062 8.700 1.00 10.20 H new ATOM 0 HA CYS A 7 14.143 -10.634 7.852 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.955 -12.172 10.190 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.657 -11.849 9.922 1.00 4.33 H new ATOM 81 N GLN A 8 14.706 -13.060 7.250 1.00 15.12 N ATOM 82 CA GLN A 8 14.920 -14.327 6.563 1.00 64.14 C ATOM 83 C GLN A 8 14.960 -15.493 7.548 1.00 64.22 C ATOM 84 O GLN A 8 14.835 -15.312 8.762 1.00 1.10 O ATOM 85 CB GLN A 8 16.225 -14.299 5.761 1.00 50.41 C ATOM 86 CG GLN A 8 17.459 -14.040 6.618 1.00 43.35 C ATOM 87 CD GLN A 8 18.759 -14.441 5.941 1.00 51.10 C ATOM 88 OE1 GLN A 8 19.793 -13.800 6.136 1.00 41.23 O ATOM 89 NE2 GLN A 8 18.731 -15.524 5.178 1.00 23.50 N ATOM 0 H GLN A 8 15.557 -12.528 7.430 1.00 15.12 H new ATOM 0 HA GLN A 8 14.081 -14.470 5.882 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.345 -15.251 5.244 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.155 -13.526 4.995 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.501 -12.980 6.870 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.362 -14.587 7.556 1.00 43.35 H new ATOM 0 HE21 GLN A 8 17.855 -16.028 5.040 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.585 -15.853 4.728 1.00 23.50 H new ATOM 98 N ILE A 9 15.158 -16.688 7.008 1.00 54.54 N ATOM 99 CA ILE A 9 15.248 -17.895 7.809 1.00 64.42 C ATOM 100 C ILE A 9 16.691 -18.145 8.228 1.00 73.43 C ATOM 101 O ILE A 9 17.583 -18.260 7.387 1.00 71.43 O ATOM 102 CB ILE A 9 14.712 -19.122 7.033 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.207 -18.983 6.791 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.020 -20.417 7.771 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.602 -20.138 6.018 1.00 23.41 C ATOM 0 H ILE A 9 15.260 -16.845 6.005 1.00 54.54 H new ATOM 0 HA ILE A 9 14.633 -17.752 8.697 1.00 64.42 H new ATOM 0 HB ILE A 9 15.218 -19.160 6.068 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.700 -18.897 7.752 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.020 -18.057 6.248 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.631 -21.261 7.202 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.099 -20.523 7.886 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.551 -20.396 8.755 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.533 -19.968 5.886 1.00 23.41 H new ATOM 0 HD12 ILE A 9 13.081 -20.213 5.042 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.756 -21.065 6.570 1.00 23.41 H new ATOM 117 N ILE A 10 16.913 -18.204 9.532 1.00 1.44 N ATOM 118 CA ILE A 10 18.236 -18.471 10.074 1.00 53.14 C ATOM 119 C ILE A 10 18.610 -19.928 9.847 1.00 15.30 C ATOM 120 O ILE A 10 17.836 -20.831 10.167 1.00 44.43 O ATOM 121 CB ILE A 10 18.297 -18.163 11.586 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.810 -16.737 11.859 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.714 -18.352 12.112 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.747 -16.389 13.332 1.00 42.33 C ATOM 0 H ILE A 10 16.189 -18.070 10.238 1.00 1.44 H new ATOM 0 HA ILE A 10 18.942 -17.821 9.557 1.00 53.14 H new ATOM 0 HB ILE A 10 17.641 -18.859 12.108 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.473 -16.033 11.356 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.820 -16.610 11.422 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.739 -18.131 13.179 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.029 -19.383 11.948 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.390 -17.678 11.586 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.394 -15.364 13.449 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.061 -17.069 13.838 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.740 -16.483 13.771 1.00 42.33 H new ATOM 136 N HIS A 11 19.788 -20.148 9.286 1.00 11.24 N ATOM 137 CA HIS A 11 20.249 -21.494 8.977 1.00 24.14 C ATOM 138 C HIS A 11 20.503 -22.277 10.263 1.00 73.03 C ATOM 139 O HIS A 11 21.301 -21.852 11.099 1.00 11.43 O ATOM 140 CB HIS A 11 21.529 -21.424 8.141 1.00 24.23 C ATOM 141 CG HIS A 11 21.667 -22.537 7.151 1.00 51.10 C ATOM 142 ND1 HIS A 11 22.506 -23.613 7.324 1.00 34.40 N ATOM 143 CD2 HIS A 11 21.059 -22.725 5.958 1.00 73.31 C ATOM 144 CE1 HIS A 11 22.414 -24.414 6.278 1.00 41.44 C ATOM 145 NE2 HIS A 11 21.542 -23.898 5.433 1.00 32.35 N ATOM 0 H HIS A 11 20.445 -19.410 9.034 1.00 11.24 H new ATOM 0 HA HIS A 11 19.477 -22.009 8.405 1.00 24.14 H new ATOM 0 HB2 HIS A 11 21.553 -20.473 7.609 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.390 -21.437 8.810 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.328 -22.073 5.502 1.00 73.31 H new ATOM 0 HE1 HIS A 11 22.960 -25.335 6.138 1.00 41.44 H new ATOM 0 HE2 HIS A 11 21.271 -24.304 4.537 1.00 32.35 H new ATOM 154 N PRO A 12 19.810 -23.420 10.444 1.00 62.10 N ATOM 155 CA PRO A 12 19.947 -24.264 11.640 1.00 31.33 C ATOM 156 C PRO A 12 21.406 -24.556 11.995 1.00 62.52 C ATOM 157 O PRO A 12 22.154 -25.119 11.191 1.00 11.24 O ATOM 158 CB PRO A 12 19.214 -25.550 11.250 1.00 52.40 C ATOM 159 CG PRO A 12 18.196 -25.111 10.258 1.00 51.45 C ATOM 160 CD PRO A 12 18.817 -23.967 9.499 1.00 4.22 C ATOM 0 HA PRO A 12 19.542 -23.779 12.528 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.898 -26.282 10.820 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.748 -26.020 12.116 1.00 52.40 H new ATOM 0 HG2 PRO A 12 17.931 -25.926 9.585 1.00 51.45 H new ATOM 0 HG3 PRO A 12 17.278 -24.796 10.755 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.287 -24.307 8.576 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.074 -23.220 9.222 1.00 4.22 H new ATOM 168 N PRO A 13 21.822 -24.161 13.208 1.00 72.42 N ATOM 169 CA PRO A 13 23.199 -24.293 13.671 1.00 11.03 C ATOM 170 C PRO A 13 23.480 -25.659 14.305 1.00 21.12 C ATOM 171 O PRO A 13 23.036 -26.693 13.803 1.00 10.42 O ATOM 172 CB PRO A 13 23.322 -23.175 14.722 1.00 63.12 C ATOM 173 CG PRO A 13 21.940 -22.620 14.928 1.00 12.24 C ATOM 174 CD PRO A 13 20.983 -23.550 14.236 1.00 11.22 C ATOM 0 HA PRO A 13 23.914 -24.214 12.852 1.00 11.03 H new ATOM 0 HB2 PRO A 13 23.725 -23.565 15.656 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.004 -22.397 14.381 1.00 63.12 H new ATOM 0 HG2 PRO A 13 21.708 -22.549 15.991 1.00 12.24 H new ATOM 0 HG3 PRO A 13 21.864 -21.613 14.517 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.574 -24.293 14.920 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.138 -23.014 13.804 1.00 11.22 H new ATOM 182 N TRP A 14 24.230 -25.646 15.408 1.00 13.53 N ATOM 183 CA TRP A 14 24.589 -26.863 16.139 1.00 55.11 C ATOM 184 C TRP A 14 23.348 -27.504 16.776 1.00 13.40 C ATOM 185 O TRP A 14 22.232 -27.026 16.576 1.00 31.14 O ATOM 186 CB TRP A 14 25.640 -26.532 17.206 1.00 53.25 C ATOM 187 CG TRP A 14 26.559 -27.678 17.526 1.00 30.52 C ATOM 188 CD1 TRP A 14 26.572 -28.435 18.663 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.602 -28.195 16.689 1.00 32.13 C ATOM 190 NE1 TRP A 14 27.556 -29.392 18.584 1.00 11.25 N ATOM 191 CE2 TRP A 14 28.204 -29.264 17.381 1.00 72.24 C ATOM 192 CE3 TRP A 14 28.087 -27.855 15.421 1.00 52.43 C ATOM 193 CZ2 TRP A 14 29.261 -29.997 16.843 1.00 61.11 C ATOM 194 CZ3 TRP A 14 29.134 -28.585 14.889 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.712 -29.645 15.600 1.00 71.42 C ATOM 0 H TRP A 14 24.606 -24.792 15.820 1.00 13.53 H new ATOM 0 HA TRP A 14 25.011 -27.584 15.439 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.235 -25.685 16.866 1.00 53.25 H new ATOM 0 HB3 TRP A 14 25.132 -26.219 18.118 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.906 -28.301 19.502 1.00 34.14 H new ATOM 0 HE1 TRP A 14 27.770 -30.084 19.302 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.651 -27.037 14.867 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 29.708 -30.815 17.389 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.513 -28.334 13.909 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.530 -30.195 15.158 1.00 71.42 H new ATOM 206 N GLU A 15 23.565 -28.598 17.515 1.00 44.34 N ATOM 207 CA GLU A 15 22.492 -29.392 18.131 1.00 22.34 C ATOM 208 C GLU A 15 21.368 -28.526 18.708 1.00 24.33 C ATOM 209 O GLU A 15 21.501 -27.951 19.789 1.00 3.10 O ATOM 210 CB GLU A 15 23.063 -30.273 19.242 1.00 35.12 C ATOM 211 CG GLU A 15 24.180 -31.196 18.786 1.00 53.31 C ATOM 212 CD GLU A 15 23.739 -32.148 17.697 1.00 41.30 C ATOM 213 OE1 GLU A 15 23.306 -33.271 18.025 1.00 63.35 O ATOM 214 OE2 GLU A 15 23.835 -31.780 16.509 1.00 74.13 O1- ATOM 0 H GLU A 15 24.499 -28.962 17.705 1.00 44.34 H new ATOM 0 HA GLU A 15 22.064 -30.005 17.338 1.00 22.34 H new ATOM 0 HB2 GLU A 15 23.437 -29.634 20.042 1.00 35.12 H new ATOM 0 HB3 GLU A 15 22.258 -30.875 19.664 1.00 35.12 H new ATOM 0 HG2 GLU A 15 25.016 -30.597 18.424 1.00 53.31 H new ATOM 0 HG3 GLU A 15 24.544 -31.769 19.639 1.00 53.31 H new ATOM 221 N GLY A 16 20.273 -28.435 17.968 1.00 71.54 N ATOM 222 CA GLY A 16 19.141 -27.651 18.401 1.00 11.25 C ATOM 223 C GLY A 16 18.302 -27.204 17.229 1.00 0.41 C ATOM 224 O GLY A 16 18.491 -27.682 16.108 1.00 33.22 O ATOM 0 H GLY A 16 20.151 -28.896 17.067 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.529 -28.239 19.085 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.490 -26.779 18.954 1.00 11.25 H new ATOM 228 N GLY A 17 17.380 -26.294 17.477 1.00 23.54 N ATOM 229 CA GLY A 17 16.532 -25.789 16.422 1.00 23.21 C ATOM 230 C GLY A 17 15.933 -24.450 16.784 1.00 4.21 C ATOM 231 O GLY A 17 16.302 -23.856 17.797 1.00 73.45 O ATOM 0 H GLY A 17 17.202 -25.892 18.397 1.00 23.54 H new ATOM 0 HA2 GLY A 17 17.111 -25.693 15.503 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.734 -26.504 16.222 1.00 23.21 H new ATOM 235 N ILE A 18 14.996 -23.979 15.979 1.00 13.11 N ATOM 236 CA ILE A 18 14.373 -22.693 16.224 1.00 4.12 C ATOM 237 C ILE A 18 12.890 -22.845 16.496 1.00 21.53 C ATOM 238 O ILE A 18 12.190 -23.610 15.836 1.00 64.33 O ATOM 239 CB ILE A 18 14.622 -21.710 15.057 1.00 60.43 C ATOM 240 CG1 ILE A 18 16.047 -21.180 15.159 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.620 -20.559 15.062 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.406 -20.159 14.098 1.00 70.34 C ATOM 0 H ILE A 18 14.652 -24.468 15.153 1.00 13.11 H new ATOM 0 HA ILE A 18 14.838 -22.272 17.116 1.00 4.12 H new ATOM 0 HB ILE A 18 14.488 -22.242 14.115 1.00 60.43 H new ATOM 0 HG12 ILE A 18 16.186 -20.730 16.142 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.741 -22.018 15.091 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.829 -19.891 14.227 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.609 -20.956 14.965 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.705 -20.007 15.998 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.436 -19.832 14.241 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.302 -20.608 13.110 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.739 -19.301 14.178 1.00 70.34 H new ATOM 254 N ARG A 19 12.438 -22.119 17.496 1.00 44.43 N ATOM 255 CA ARG A 19 11.056 -22.137 17.907 1.00 12.34 C ATOM 256 C ARG A 19 10.367 -20.885 17.399 1.00 54.31 C ATOM 257 O ARG A 19 10.957 -19.807 17.413 1.00 14.40 O ATOM 258 CB ARG A 19 10.990 -22.196 19.428 1.00 21.13 C ATOM 259 CG ARG A 19 9.612 -22.526 19.970 1.00 74.22 C ATOM 260 CD ARG A 19 9.152 -23.903 19.520 1.00 2.13 C ATOM 261 NE ARG A 19 7.771 -24.177 19.914 1.00 34.34 N ATOM 262 CZ ARG A 19 7.276 -25.400 20.087 1.00 15.24 C ATOM 263 NH1 ARG A 19 8.053 -26.465 19.933 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 6.002 -25.556 20.421 1.00 45.00 N ATOM 0 H ARG A 19 13.026 -21.496 18.049 1.00 44.43 H new ATOM 0 HA ARG A 19 10.552 -23.011 17.493 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.699 -22.944 19.784 1.00 21.13 H new ATOM 0 HB3 ARG A 19 11.309 -21.236 19.833 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.629 -22.485 21.059 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.898 -21.775 19.633 1.00 74.22 H new ATOM 0 HD2 ARG A 19 9.241 -23.978 18.436 1.00 2.13 H new ATOM 0 HD3 ARG A 19 9.808 -24.662 19.947 1.00 2.13 H new ATOM 0 HE ARG A 19 7.149 -23.383 20.065 1.00 34.34 H new ATOM 0 HH11 ARG A 19 9.034 -26.348 19.681 1.00 45.21 H new ATOM 0 HH12 ARG A 19 7.669 -27.400 20.067 1.00 45.21 H new ATOM 0 HH21 ARG A 19 5.404 -24.739 20.545 1.00 45.00 H new ATOM 0 HH22 ARG A 19 5.621 -26.493 20.554 1.00 45.00 H new ATOM 278 N TYR A 20 9.138 -21.018 16.939 1.00 74.35 N ATOM 279 CA TYR A 20 8.418 -19.873 16.415 1.00 40.55 C ATOM 280 C TYR A 20 7.308 -19.451 17.368 1.00 34.25 C ATOM 281 O TYR A 20 7.202 -19.975 18.477 1.00 72.21 O ATOM 282 CB TYR A 20 7.870 -20.196 15.025 1.00 12.44 C ATOM 283 CG TYR A 20 8.964 -20.409 14.000 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.601 -21.637 13.881 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.374 -19.375 13.168 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.616 -21.828 12.965 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.384 -19.559 12.245 1.00 52.11 C ATOM 288 CZ TYR A 20 11.002 -20.788 12.148 1.00 34.52 C ATOM 289 OH TYR A 20 12.016 -20.975 11.236 1.00 22.43 O ATOM 0 H TYR A 20 8.621 -21.897 16.917 1.00 74.35 H new ATOM 0 HA TYR A 20 9.105 -19.032 16.325 1.00 40.55 H new ATOM 0 HB2 TYR A 20 7.252 -21.092 15.082 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.223 -19.383 14.696 1.00 12.44 H new ATOM 0 HD1 TYR A 20 9.297 -22.456 14.516 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.894 -18.410 13.245 1.00 1.23 H new ATOM 0 HE1 TYR A 20 11.105 -22.788 12.889 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.688 -18.746 11.603 1.00 52.11 H new ATOM 0 HH TYR A 20 12.165 -20.144 10.738 1.00 22.43 H new ATOM 299 N ARG A 21 6.473 -18.521 16.929 1.00 4.04 N ATOM 300 CA ARG A 21 5.447 -17.947 17.791 1.00 43.13 C ATOM 301 C ARG A 21 4.155 -18.750 17.695 1.00 4.10 C ATOM 302 O ARG A 21 3.531 -19.066 18.703 1.00 52.41 O ATOM 303 CB ARG A 21 5.188 -16.492 17.394 1.00 74.30 C ATOM 304 CG ARG A 21 5.304 -15.492 18.538 1.00 52.33 C ATOM 305 CD ARG A 21 4.248 -15.728 19.611 1.00 1.31 C ATOM 306 NE ARG A 21 4.260 -14.676 20.629 1.00 72.30 N ATOM 307 CZ ARG A 21 3.835 -14.842 21.879 1.00 63.53 C ATOM 308 NH1 ARG A 21 3.348 -16.014 22.268 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 3.884 -13.830 22.736 1.00 24.04 N ATOM 0 H ARG A 21 6.485 -18.147 15.980 1.00 4.04 H new ATOM 0 HA ARG A 21 5.800 -17.981 18.822 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.893 -16.212 16.611 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.189 -16.419 16.965 1.00 74.30 H new ATOM 0 HG2 ARG A 21 6.296 -15.564 18.984 1.00 52.33 H new ATOM 0 HG3 ARG A 21 5.203 -14.480 18.146 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.263 -15.773 19.147 1.00 1.31 H new ATOM 0 HD3 ARG A 21 4.422 -16.694 20.085 1.00 1.31 H new ATOM 0 HE ARG A 21 4.617 -13.758 20.363 1.00 72.30 H new ATOM 0 HH11 ARG A 21 3.299 -16.790 21.608 1.00 42.32 H new ATOM 0 HH12 ARG A 21 3.023 -16.138 23.227 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.247 -12.925 22.436 1.00 24.04 H new ATOM 0 HH22 ARG A 21 3.558 -13.957 23.694 1.00 24.04 H new ATOM 323 N GLY A 22 3.768 -19.079 16.473 1.00 11.55 N ATOM 324 CA GLY A 22 2.541 -19.820 16.257 1.00 50.05 C ATOM 325 C GLY A 22 2.602 -20.674 15.012 1.00 71.12 C ATOM 326 O GLY A 22 1.735 -20.582 14.146 1.00 54.54 O ATOM 0 H GLY A 22 4.282 -18.846 15.624 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.345 -20.454 17.121 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.707 -19.123 16.177 1.00 50.05 H new ATOM 330 N LEU A 23 3.632 -21.503 14.917 1.00 51.01 N ATOM 331 CA LEU A 23 3.804 -22.382 13.770 1.00 52.44 C ATOM 332 C LEU A 23 4.219 -23.778 14.216 1.00 5.12 C ATOM 333 O LEU A 23 5.174 -23.935 14.981 1.00 0.51 O ATOM 334 CB LEU A 23 4.850 -21.815 12.802 1.00 44.13 C ATOM 335 CG LEU A 23 4.427 -20.551 12.049 1.00 45.22 C ATOM 336 CD1 LEU A 23 5.592 -19.990 11.249 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.246 -20.848 11.135 1.00 3.33 C ATOM 0 H LEU A 23 4.363 -21.585 15.623 1.00 51.01 H new ATOM 0 HA LEU A 23 2.846 -22.447 13.255 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.759 -21.597 13.362 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.102 -22.585 12.073 1.00 44.13 H new ATOM 0 HG LEU A 23 4.120 -19.802 12.779 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.272 -19.092 10.721 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.411 -19.741 11.924 1.00 34.31 H new ATOM 0 HD13 LEU A 23 5.930 -20.734 10.528 1.00 34.31 H new ATOM 0 HD21 LEU A 23 2.957 -19.939 10.607 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.529 -21.614 10.412 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.405 -21.204 11.731 1.00 3.33 H new ATOM 349 N THR A 24 3.489 -24.782 13.753 1.00 45.31 N ATOM 350 CA THR A 24 3.833 -26.168 14.028 1.00 75.32 C ATOM 351 C THR A 24 4.831 -26.664 12.982 1.00 64.12 C ATOM 352 O THR A 24 5.218 -25.906 12.084 1.00 23.12 O ATOM 353 CB THR A 24 2.577 -27.076 14.051 1.00 73.21 C ATOM 354 OG1 THR A 24 2.921 -28.390 14.514 1.00 0.00 O ATOM 355 CG2 THR A 24 1.933 -27.175 12.675 1.00 12.52 C ATOM 0 H THR A 24 2.652 -24.661 13.183 1.00 45.31 H new ATOM 0 HA THR A 24 4.287 -26.217 15.018 1.00 75.32 H new ATOM 0 HB THR A 24 1.858 -26.623 14.734 1.00 73.21 H new ATOM 0 HG1 THR A 24 2.119 -28.953 14.526 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.056 -27.819 12.729 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.633 -26.182 12.341 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.648 -27.595 11.968 1.00 12.52 H new ATOM 363 N ARG A 25 5.248 -27.921 13.086 1.00 3.14 N ATOM 364 CA ARG A 25 6.265 -28.447 12.185 1.00 73.32 C ATOM 365 C ARG A 25 5.666 -28.846 10.839 1.00 50.00 C ATOM 366 O ARG A 25 4.486 -28.596 10.576 1.00 5.42 O ATOM 367 CB ARG A 25 7.010 -29.626 12.819 1.00 33.05 C ATOM 368 CG ARG A 25 8.084 -29.199 13.813 1.00 24.32 C ATOM 369 CD ARG A 25 7.502 -28.732 15.140 1.00 10.33 C ATOM 370 NE ARG A 25 7.125 -29.855 15.996 1.00 33.14 N ATOM 371 CZ ARG A 25 6.415 -29.745 17.117 1.00 2.41 C ATOM 372 NH1 ARG A 25 5.948 -28.561 17.498 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 6.172 -30.827 17.853 1.00 62.54 N ATOM 0 H ARG A 25 4.902 -28.587 13.777 1.00 3.14 H new ATOM 0 HA ARG A 25 6.985 -27.649 12.006 1.00 73.32 H new ATOM 0 HB2 ARG A 25 6.291 -30.270 13.326 1.00 33.05 H new ATOM 0 HB3 ARG A 25 7.471 -30.221 12.031 1.00 33.05 H new ATOM 0 HG2 ARG A 25 8.761 -30.034 13.991 1.00 24.32 H new ATOM 0 HG3 ARG A 25 8.677 -28.395 13.378 1.00 24.32 H new ATOM 0 HD2 ARG A 25 8.232 -28.110 15.658 1.00 10.33 H new ATOM 0 HD3 ARG A 25 6.628 -28.108 14.953 1.00 10.33 H new ATOM 0 HE ARG A 25 7.427 -30.788 15.715 1.00 33.14 H new ATOM 0 HH11 ARG A 25 6.133 -27.733 16.931 1.00 13.30 H new ATOM 0 HH12 ARG A 25 5.404 -28.480 18.357 1.00 13.30 H new ATOM 0 HH21 ARG A 25 6.529 -31.736 17.558 1.00 62.54 H new ATOM 0 HH22 ARG A 25 5.629 -30.748 18.713 1.00 62.54 H new ATOM 387 N ASP A 26 6.492 -29.477 9.998 1.00 11.55 N ATOM 388 CA ASP A 26 6.169 -29.713 8.583 1.00 13.41 C ATOM 389 C ASP A 26 5.959 -28.374 7.875 1.00 2.54 C ATOM 390 O ASP A 26 5.444 -28.292 6.760 1.00 54.04 O ATOM 391 CB ASP A 26 4.948 -30.629 8.417 1.00 51.21 C ATOM 392 CG ASP A 26 4.713 -31.015 6.967 1.00 14.41 C ATOM 393 OD1 ASP A 26 5.688 -31.403 6.282 1.00 15.50 O ATOM 394 OD2 ASP A 26 3.555 -30.940 6.504 1.00 15.44 O1- ATOM 0 H ASP A 26 7.404 -29.839 10.277 1.00 11.55 H new ATOM 0 HA ASP A 26 7.010 -30.231 8.122 1.00 13.41 H new ATOM 0 HB2 ASP A 26 5.089 -31.531 9.013 1.00 51.21 H new ATOM 0 HB3 ASP A 26 4.063 -30.125 8.805 1.00 51.21 H new ATOM 399 N GLN A 27 6.404 -27.323 8.540 1.00 2.23 N ATOM 400 CA GLN A 27 6.332 -25.974 8.024 1.00 4.51 C ATOM 401 C GLN A 27 7.670 -25.301 8.263 1.00 2.23 C ATOM 402 O GLN A 27 8.608 -25.967 8.691 1.00 21.25 O ATOM 403 CB GLN A 27 5.203 -25.197 8.707 1.00 41.02 C ATOM 404 CG GLN A 27 3.814 -25.694 8.334 1.00 12.33 C ATOM 405 CD GLN A 27 2.707 -25.011 9.116 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.601 -24.818 8.609 1.00 70.15 O ATOM 407 NE2 GLN A 27 2.984 -24.666 10.365 1.00 42.30 N ATOM 0 H GLN A 27 6.830 -27.386 9.465 1.00 2.23 H new ATOM 0 HA GLN A 27 6.115 -25.994 6.956 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.327 -25.266 9.788 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.286 -24.143 8.443 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.651 -25.532 7.268 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.761 -26.769 8.505 1.00 12.33 H new ATOM 0 HE21 GLN A 27 3.912 -24.843 10.749 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.269 -24.224 10.943 1.00 42.30 H new ATOM 416 N VAL A 28 7.752 -23.999 7.967 1.00 40.51 N ATOM 417 CA VAL A 28 8.985 -23.193 8.103 1.00 21.23 C ATOM 418 C VAL A 28 10.172 -23.803 7.346 1.00 20.45 C ATOM 419 O VAL A 28 11.301 -23.328 7.452 1.00 35.23 O ATOM 420 CB VAL A 28 9.379 -22.915 9.585 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.163 -22.511 10.399 1.00 3.34 C ATOM 422 CG2 VAL A 28 10.095 -24.093 10.239 1.00 12.44 C ATOM 0 H VAL A 28 6.957 -23.462 7.621 1.00 40.51 H new ATOM 0 HA VAL A 28 8.743 -22.234 7.644 1.00 21.23 H new ATOM 0 HB VAL A 28 10.087 -22.086 9.568 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.462 -22.322 11.430 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.726 -21.606 9.976 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.427 -23.314 10.376 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.344 -23.841 11.270 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.444 -24.967 10.227 1.00 12.44 H new ATOM 0 HG23 VAL A 28 11.009 -24.314 9.688 1.00 12.44 H new ATOM 432 N LYS A 29 9.889 -24.822 6.546 1.00 1.44 N ATOM 433 CA LYS A 29 10.894 -25.472 5.722 1.00 53.22 C ATOM 434 C LYS A 29 11.161 -24.645 4.475 1.00 71.12 C ATOM 435 O LYS A 29 12.217 -24.756 3.849 1.00 33.02 O ATOM 436 CB LYS A 29 10.422 -26.884 5.345 1.00 54.41 C ATOM 437 CG LYS A 29 8.999 -26.925 4.804 1.00 70.52 C ATOM 438 CD LYS A 29 8.507 -28.353 4.621 1.00 33.02 C ATOM 439 CE LYS A 29 7.047 -28.385 4.194 1.00 11.13 C ATOM 440 NZ LYS A 29 6.529 -29.773 4.060 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.955 -25.220 6.451 1.00 1.44 H new ATOM 0 HA LYS A 29 11.824 -25.553 6.285 1.00 53.22 H new ATOM 0 HB2 LYS A 29 11.099 -27.297 4.597 1.00 54.41 H new ATOM 0 HB3 LYS A 29 10.487 -27.527 6.223 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.335 -26.396 5.487 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.957 -26.401 3.849 1.00 70.52 H new ATOM 0 HD2 LYS A 29 9.118 -28.857 3.872 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.627 -28.904 5.554 1.00 33.02 H new ATOM 0 HE2 LYS A 29 6.445 -27.844 4.924 1.00 11.13 H new ATOM 0 HE3 LYS A 29 6.937 -27.865 3.242 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 5.669 -29.768 3.475 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 7.251 -30.371 3.609 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 6.305 -30.152 5.002 1.00 21.55 H new ATOM 454 N ALA A 30 10.194 -23.808 4.132 1.00 52.32 N ATOM 455 CA ALA A 30 10.302 -22.933 2.981 1.00 14.13 C ATOM 456 C ALA A 30 9.386 -21.727 3.144 1.00 61.32 C ATOM 457 O ALA A 30 8.264 -21.708 2.639 1.00 75.11 O ATOM 458 CB ALA A 30 9.975 -23.685 1.700 1.00 4.23 C ATOM 0 H ALA A 30 9.316 -23.718 4.643 1.00 52.32 H new ATOM 0 HA ALA A 30 11.331 -22.579 2.913 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.062 -23.009 0.849 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.671 -24.515 1.577 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.957 -24.071 1.754 1.00 4.23 H new ATOM 464 N ILE A 31 9.852 -20.747 3.896 1.00 25.12 N ATOM 465 CA ILE A 31 9.123 -19.501 4.078 1.00 40.14 C ATOM 466 C ILE A 31 9.977 -18.350 3.567 1.00 74.23 C ATOM 467 O ILE A 31 11.187 -18.337 3.774 1.00 4.24 O ATOM 468 CB ILE A 31 8.743 -19.262 5.561 1.00 34.44 C ATOM 469 CG1 ILE A 31 7.785 -20.357 6.047 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.118 -17.882 5.750 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.319 -20.172 7.476 1.00 3.32 C ATOM 0 H ILE A 31 10.740 -20.789 4.396 1.00 25.12 H new ATOM 0 HA ILE A 31 8.193 -19.563 3.513 1.00 40.14 H new ATOM 0 HB ILE A 31 9.654 -19.303 6.158 1.00 34.44 H new ATOM 0 HG12 ILE A 31 6.915 -20.382 5.391 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.279 -21.325 5.958 1.00 11.21 H new ATOM 0 HG21 ILE A 31 7.861 -17.740 6.800 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.830 -17.115 5.444 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.217 -17.804 5.142 1.00 41.23 H new ATOM 0 HD11 ILE A 31 6.645 -20.985 7.747 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.181 -20.177 8.143 1.00 3.32 H new ATOM 0 HD13 ILE A 31 6.795 -19.221 7.568 1.00 3.32 H new ATOM 483 N ASN A 32 9.349 -17.404 2.885 1.00 72.34 N ATOM 484 CA ASN A 32 10.075 -16.290 2.291 1.00 15.12 C ATOM 485 C ASN A 32 10.614 -15.355 3.361 1.00 73.04 C ATOM 486 O ASN A 32 11.828 -15.205 3.514 1.00 13.03 O ATOM 487 CB ASN A 32 9.180 -15.510 1.328 1.00 71.30 C ATOM 488 CG ASN A 32 8.700 -16.353 0.167 1.00 3.15 C ATOM 489 OD1 ASN A 32 7.639 -16.975 0.234 1.00 51.12 O ATOM 490 ND2 ASN A 32 9.481 -16.389 -0.900 1.00 22.03 N ATOM 0 H ASN A 32 8.341 -17.385 2.729 1.00 72.34 H new ATOM 0 HA ASN A 32 10.916 -16.706 1.735 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.318 -15.123 1.872 1.00 71.30 H new ATOM 0 HB3 ASN A 32 9.728 -14.649 0.945 1.00 71.30 H new ATOM 0 HD21 ASN A 32 9.212 -16.948 -1.710 1.00 22.03 H new ATOM 0 HD22 ASN A 32 10.352 -15.858 -0.913 1.00 22.03 H new ATOM 497 N PHE A 33 9.710 -14.728 4.099 1.00 4.32 N ATOM 498 CA PHE A 33 10.096 -13.765 5.117 1.00 60.13 C ATOM 499 C PHE A 33 9.178 -13.855 6.322 1.00 71.25 C ATOM 500 O PHE A 33 7.973 -14.071 6.186 1.00 43.02 O ATOM 501 CB PHE A 33 10.060 -12.336 4.559 1.00 25.12 C ATOM 502 CG PHE A 33 11.076 -12.072 3.483 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.701 -12.042 2.147 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.404 -11.855 3.808 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.634 -11.798 1.158 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.341 -11.611 2.824 1.00 62.54 C ATOM 507 CZ PHE A 33 12.956 -11.582 1.498 1.00 65.33 C ATOM 0 H PHE A 33 8.704 -14.870 4.011 1.00 4.32 H new ATOM 0 HA PHE A 33 11.114 -14.004 5.424 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.065 -12.138 4.161 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.222 -11.634 5.377 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.669 -12.211 1.878 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.711 -11.877 4.843 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.331 -11.776 0.122 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.374 -11.443 3.091 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.688 -11.391 0.727 1.00 65.33 H new ATOM 517 N LEU A 34 9.760 -13.706 7.498 1.00 45.21 N ATOM 518 CA LEU A 34 8.992 -13.600 8.725 1.00 44.33 C ATOM 519 C LEU A 34 8.727 -12.128 9.005 1.00 61.32 C ATOM 520 O LEU A 34 9.663 -11.367 9.226 1.00 5.11 O ATOM 521 CB LEU A 34 9.734 -14.244 9.908 1.00 2.10 C ATOM 522 CG LEU A 34 9.805 -15.780 9.905 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.417 -16.382 9.738 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.749 -16.288 8.823 1.00 73.11 C ATOM 0 H LEU A 34 10.770 -13.655 7.629 1.00 45.21 H new ATOM 0 HA LEU A 34 8.050 -14.135 8.604 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.751 -13.853 9.929 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.251 -13.924 10.831 1.00 2.10 H new ATOM 0 HG LEU A 34 10.203 -16.098 10.869 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.490 -17.470 9.738 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.779 -16.061 10.562 1.00 10.42 H new ATOM 0 HD13 LEU A 34 7.987 -16.048 8.794 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.777 -17.377 8.847 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.396 -15.955 7.847 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.750 -15.895 9.000 1.00 73.11 H new ATOM 536 N PRO A 35 7.450 -11.712 8.983 1.00 32.22 N ATOM 537 CA PRO A 35 7.055 -10.300 9.113 1.00 5.03 C ATOM 538 C PRO A 35 7.676 -9.610 10.327 1.00 10.23 C ATOM 539 O PRO A 35 7.828 -10.218 11.395 1.00 63.24 O ATOM 540 CB PRO A 35 5.525 -10.359 9.251 1.00 22.10 C ATOM 541 CG PRO A 35 5.203 -11.792 9.516 1.00 24.21 C ATOM 542 CD PRO A 35 6.280 -12.584 8.842 1.00 34.40 C ATOM 0 HA PRO A 35 7.399 -9.715 8.260 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.180 -9.722 10.065 1.00 22.10 H new ATOM 0 HB3 PRO A 35 5.035 -10.008 8.343 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.180 -11.996 10.587 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.221 -12.052 9.120 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.434 -13.550 9.322 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.045 -12.781 7.796 1.00 34.40 H new ATOM 550 N VAL A 36 8.038 -8.337 10.148 1.00 60.55 N ATOM 551 CA VAL A 36 8.650 -7.540 11.208 1.00 53.33 C ATOM 552 C VAL A 36 7.673 -7.318 12.368 1.00 1.10 C ATOM 553 O VAL A 36 6.942 -6.329 12.413 1.00 72.31 O ATOM 554 CB VAL A 36 9.188 -6.183 10.671 1.00 4.21 C ATOM 555 CG1 VAL A 36 8.143 -5.452 9.845 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.680 -5.299 11.809 1.00 25.11 C ATOM 0 H VAL A 36 7.915 -7.835 9.269 1.00 60.55 H new ATOM 0 HA VAL A 36 9.502 -8.106 11.585 1.00 53.33 H new ATOM 0 HB VAL A 36 10.032 -6.408 10.019 1.00 4.21 H new ATOM 0 HG11 VAL A 36 8.556 -4.509 9.488 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.856 -6.068 8.993 1.00 64.12 H new ATOM 0 HG13 VAL A 36 7.266 -5.254 10.461 1.00 64.12 H new ATOM 0 HG21 VAL A 36 10.050 -4.357 11.404 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.858 -5.100 12.497 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.484 -5.806 12.342 1.00 25.11 H new ATOM 566 N ASP A 37 7.658 -8.285 13.277 1.00 75.53 N ATOM 567 CA ASP A 37 6.800 -8.280 14.464 1.00 0.24 C ATOM 568 C ASP A 37 6.863 -9.656 15.103 1.00 61.43 C ATOM 569 O ASP A 37 6.677 -9.817 16.310 1.00 74.15 O ATOM 570 CB ASP A 37 5.340 -7.955 14.115 1.00 1.03 C ATOM 571 CG ASP A 37 4.496 -7.699 15.347 1.00 73.54 C ATOM 572 OD1 ASP A 37 3.558 -8.484 15.616 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.759 -6.704 16.052 1.00 24.30 O1- ATOM 0 H ASP A 37 8.252 -9.112 13.212 1.00 75.53 H new ATOM 0 HA ASP A 37 7.157 -7.508 15.146 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.310 -7.078 13.469 1.00 1.03 H new ATOM 0 HB3 ASP A 37 4.911 -8.782 13.550 1.00 1.03 H new ATOM 578 N TYR A 38 7.143 -10.645 14.261 1.00 64.13 N ATOM 579 CA TYR A 38 7.258 -12.029 14.688 1.00 64.04 C ATOM 580 C TYR A 38 8.501 -12.219 15.559 1.00 13.41 C ATOM 581 O TYR A 38 9.530 -11.575 15.334 1.00 72.14 O ATOM 582 CB TYR A 38 7.332 -12.929 13.451 1.00 31.23 C ATOM 583 CG TYR A 38 6.816 -14.333 13.668 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.674 -15.368 14.012 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.466 -14.621 13.518 1.00 42.20 C ATOM 586 CE1 TYR A 38 7.198 -16.651 14.202 1.00 51.34 C ATOM 587 CE2 TYR A 38 4.983 -15.900 13.707 1.00 74.11 C ATOM 588 CZ TYR A 38 5.851 -16.910 14.048 1.00 52.12 C ATOM 589 OH TYR A 38 5.370 -18.187 14.238 1.00 52.04 O ATOM 0 H TYR A 38 7.296 -10.506 13.262 1.00 64.13 H new ATOM 0 HA TYR A 38 6.385 -12.298 15.282 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.762 -12.466 12.645 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.368 -12.983 13.118 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.728 -15.168 14.133 1.00 63.21 H new ATOM 0 HD2 TYR A 38 4.782 -13.830 13.249 1.00 42.20 H new ATOM 0 HE1 TYR A 38 7.877 -17.447 14.470 1.00 51.34 H new ATOM 0 HE2 TYR A 38 3.930 -16.106 13.588 1.00 74.11 H new ATOM 0 HH TYR A 38 4.438 -18.233 13.939 1.00 52.04 H new ATOM 599 N GLU A 39 8.395 -13.094 16.551 1.00 24.42 N ATOM 600 CA GLU A 39 9.500 -13.372 17.462 1.00 12.31 C ATOM 601 C GLU A 39 9.769 -14.876 17.519 1.00 14.54 C ATOM 602 O GLU A 39 8.840 -15.680 17.413 1.00 3.41 O ATOM 603 CB GLU A 39 9.172 -12.835 18.860 1.00 45.13 C ATOM 604 CG GLU A 39 9.002 -11.320 18.909 1.00 72.52 C ATOM 605 CD GLU A 39 8.505 -10.828 20.254 1.00 31.14 C ATOM 606 OE1 GLU A 39 7.274 -10.716 20.430 1.00 5.53 O ATOM 607 OE2 GLU A 39 9.336 -10.538 21.139 1.00 51.15 O1- ATOM 0 H GLU A 39 7.548 -13.628 16.747 1.00 24.42 H new ATOM 0 HA GLU A 39 10.397 -12.873 17.096 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.256 -13.306 19.215 1.00 45.13 H new ATOM 0 HB3 GLU A 39 9.967 -13.125 19.547 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.956 -10.844 18.683 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.301 -11.012 18.133 1.00 72.52 H new ATOM 614 N ILE A 40 11.037 -15.255 17.670 1.00 4.54 N ATOM 615 CA ILE A 40 11.417 -16.666 17.686 1.00 42.33 C ATOM 616 C ILE A 40 12.272 -17.012 18.907 1.00 75.11 C ATOM 617 O ILE A 40 12.772 -16.126 19.607 1.00 0.45 O ATOM 618 CB ILE A 40 12.187 -17.075 16.412 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.438 -16.211 16.239 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.286 -16.976 15.187 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.304 -16.619 15.067 1.00 11.34 C ATOM 0 H ILE A 40 11.816 -14.607 17.783 1.00 4.54 H new ATOM 0 HA ILE A 40 10.481 -17.223 17.731 1.00 42.33 H new ATOM 0 HB ILE A 40 12.503 -18.113 16.518 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.136 -15.172 16.111 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.031 -16.260 17.152 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.846 -17.268 14.299 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.430 -17.639 15.310 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.937 -15.950 15.074 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.171 -15.961 15.009 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.638 -17.648 15.202 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.728 -16.542 14.145 1.00 11.34 H new ATOM 633 N GLU A 41 12.448 -18.312 19.130 1.00 61.12 N ATOM 634 CA GLU A 41 13.184 -18.828 20.280 1.00 13.03 C ATOM 635 C GLU A 41 14.198 -19.889 19.826 1.00 60.15 C ATOM 636 O GLU A 41 14.119 -20.388 18.703 1.00 54.15 O ATOM 637 CB GLU A 41 12.185 -19.411 21.291 1.00 74.33 C ATOM 638 CG GLU A 41 12.814 -19.972 22.560 1.00 15.40 C ATOM 639 CD GLU A 41 11.782 -20.428 23.571 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.630 -19.752 24.613 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.118 -21.455 23.331 1.00 65.45 O1- ATOM 0 H GLU A 41 12.083 -19.040 18.516 1.00 61.12 H new ATOM 0 HA GLU A 41 13.740 -18.022 20.758 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.474 -18.633 21.568 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.616 -20.203 20.803 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.459 -20.812 22.301 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.449 -19.211 23.013 1.00 15.40 H new ATOM 648 N TYR A 42 15.147 -20.223 20.696 1.00 75.13 N ATOM 649 CA TYR A 42 16.193 -21.198 20.379 1.00 70.02 C ATOM 650 C TYR A 42 16.106 -22.413 21.292 1.00 70.13 C ATOM 651 O TYR A 42 16.496 -22.348 22.457 1.00 31.24 O ATOM 652 CB TYR A 42 17.585 -20.576 20.514 1.00 71.13 C ATOM 653 CG TYR A 42 17.887 -19.498 19.501 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.372 -19.821 18.240 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.696 -18.158 19.808 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.659 -18.837 17.314 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.978 -17.172 18.888 1.00 60.14 C ATOM 658 CZ TYR A 42 18.459 -17.515 17.642 1.00 71.20 C ATOM 659 OH TYR A 42 18.747 -16.527 16.725 1.00 33.12 O ATOM 0 H TYR A 42 15.215 -19.830 21.635 1.00 75.13 H new ATOM 0 HA TYR A 42 16.035 -21.511 19.347 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.687 -20.156 21.515 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.332 -21.364 20.422 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.527 -20.858 17.980 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.321 -17.884 20.783 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.038 -19.103 16.338 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.823 -16.134 19.142 1.00 60.14 H new ATOM 0 HH TYR A 42 19.082 -16.935 15.899 1.00 33.12 H new ATOM 669 N VAL A 43 15.574 -23.507 20.774 1.00 14.33 N ATOM 670 CA VAL A 43 15.470 -24.738 21.546 1.00 13.01 C ATOM 671 C VAL A 43 16.618 -25.688 21.207 1.00 43.53 C ATOM 672 O VAL A 43 17.224 -25.588 20.140 1.00 23.35 O ATOM 673 CB VAL A 43 14.121 -25.452 21.299 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.962 -24.606 21.803 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.936 -25.773 19.822 1.00 10.23 C ATOM 0 H VAL A 43 15.207 -23.570 19.824 1.00 14.33 H new ATOM 0 HA VAL A 43 15.528 -24.463 22.599 1.00 13.01 H new ATOM 0 HB VAL A 43 14.134 -26.389 21.855 1.00 2.42 H new ATOM 0 HG11 VAL A 43 12.023 -25.128 21.619 1.00 12.10 H new ATOM 0 HG12 VAL A 43 13.077 -24.432 22.873 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.954 -23.650 21.279 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.980 -26.275 19.676 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.953 -24.849 19.244 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.743 -26.425 19.488 1.00 10.23 H new ATOM 685 N CYS A 44 16.919 -26.601 22.119 1.00 44.41 N ATOM 686 CA CYS A 44 17.973 -27.584 21.898 1.00 33.42 C ATOM 687 C CYS A 44 17.384 -28.851 21.289 1.00 23.24 C ATOM 688 O CYS A 44 16.173 -28.945 21.079 1.00 51.42 O ATOM 689 CB CYS A 44 18.703 -27.894 23.218 1.00 2.24 C ATOM 690 SG CYS A 44 20.141 -29.017 23.063 1.00 3.51 S ATOM 0 H CYS A 44 16.449 -26.683 23.020 1.00 44.41 H new ATOM 0 HA CYS A 44 18.702 -27.173 21.199 1.00 33.42 H new ATOM 0 HB2 CYS A 44 19.040 -26.956 23.658 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.990 -28.335 23.915 1.00 2.24 H new ATOM 695 N ARG A 45 18.244 -29.812 20.997 1.00 62.05 N ATOM 696 CA ARG A 45 17.832 -31.034 20.342 1.00 5.01 C ATOM 697 C ARG A 45 16.985 -31.884 21.283 1.00 54.03 C ATOM 698 O ARG A 45 17.452 -32.316 22.338 1.00 24.32 O ATOM 699 CB ARG A 45 19.065 -31.812 19.866 1.00 71.44 C ATOM 700 CG ARG A 45 18.753 -32.843 18.793 1.00 42.32 C ATOM 701 CD ARG A 45 18.100 -34.091 19.371 1.00 12.32 C ATOM 702 NE ARG A 45 17.416 -34.871 18.346 1.00 32.41 N ATOM 703 CZ ARG A 45 16.362 -35.651 18.585 1.00 70.05 C ATOM 704 NH1 ARG A 45 15.945 -35.843 19.831 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 15.742 -36.257 17.580 1.00 35.41 N ATOM 0 H ARG A 45 19.241 -29.764 21.207 1.00 62.05 H new ATOM 0 HA ARG A 45 17.222 -30.783 19.474 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.802 -31.108 19.479 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.520 -32.314 20.720 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.092 -32.401 18.047 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.673 -33.121 18.279 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.859 -34.709 19.851 1.00 12.32 H new ATOM 0 HD3 ARG A 45 17.387 -33.803 20.144 1.00 12.32 H new ATOM 0 HE ARG A 45 17.765 -34.816 17.389 1.00 32.41 H new ATOM 0 HH11 ARG A 45 16.431 -35.393 20.607 1.00 54.35 H new ATOM 0 HH12 ARG A 45 15.138 -36.440 20.012 1.00 54.35 H new ATOM 0 HH21 ARG A 45 16.072 -36.126 16.624 1.00 35.41 H new ATOM 0 HH22 ARG A 45 14.935 -36.854 17.764 1.00 35.41 H new ATOM 719 N GLY A 46 15.733 -32.099 20.902 1.00 62.21 N ATOM 720 CA GLY A 46 14.862 -32.968 21.663 1.00 35.13 C ATOM 721 C GLY A 46 14.102 -32.223 22.737 1.00 50.42 C ATOM 722 O GLY A 46 13.426 -31.237 22.456 1.00 24.32 O ATOM 0 H GLY A 46 15.305 -31.684 20.075 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.154 -33.450 20.989 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.454 -33.759 22.123 1.00 35.13 H new ATOM 726 N GLU A 47 14.224 -32.691 23.969 1.00 62.41 N ATOM 727 CA GLU A 47 13.539 -32.065 25.089 1.00 21.42 C ATOM 728 C GLU A 47 14.546 -31.498 26.082 1.00 12.53 C ATOM 729 O GLU A 47 14.248 -31.339 27.268 1.00 4.41 O ATOM 730 CB GLU A 47 12.616 -33.071 25.781 1.00 22.13 C ATOM 731 CG GLU A 47 13.331 -34.293 26.333 1.00 11.01 C ATOM 732 CD GLU A 47 12.403 -35.194 27.119 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.878 -36.166 26.539 1.00 31.03 O ATOM 734 OE2 GLU A 47 12.189 -34.932 28.320 1.00 71.43 O1- ATOM 0 H GLU A 47 14.790 -33.502 24.219 1.00 62.41 H new ATOM 0 HA GLU A 47 12.932 -31.244 24.706 1.00 21.42 H new ATOM 0 HB2 GLU A 47 12.096 -32.569 26.597 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.856 -33.398 25.071 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.771 -34.857 25.510 1.00 11.01 H new ATOM 0 HG3 GLU A 47 14.152 -33.972 26.974 1.00 11.01 H new ATOM 741 N ARG A 48 15.728 -31.171 25.580 1.00 3.22 N ATOM 742 CA ARG A 48 16.784 -30.611 26.409 1.00 11.31 C ATOM 743 C ARG A 48 16.635 -29.099 26.438 1.00 51.34 C ATOM 744 O ARG A 48 16.681 -28.445 25.396 1.00 74.21 O ATOM 745 CB ARG A 48 18.164 -30.996 25.858 1.00 14.32 C ATOM 746 CG ARG A 48 18.344 -32.490 25.625 1.00 42.31 C ATOM 747 CD ARG A 48 18.265 -33.285 26.920 1.00 42.54 C ATOM 748 NE ARG A 48 19.411 -33.046 27.796 1.00 62.44 N ATOM 749 CZ ARG A 48 19.532 -33.556 29.024 1.00 10.24 C ATOM 750 NH1 ARG A 48 18.581 -34.346 29.516 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 20.608 -33.283 29.752 1.00 20.12 N ATOM 0 H ARG A 48 15.980 -31.285 24.598 1.00 3.22 H new ATOM 0 HA ARG A 48 16.701 -31.010 27.420 1.00 11.31 H new ATOM 0 HB2 ARG A 48 18.328 -30.470 24.918 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.930 -30.652 26.553 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.577 -32.844 24.936 1.00 42.31 H new ATOM 0 HG3 ARG A 48 19.308 -32.669 25.149 1.00 42.31 H new ATOM 0 HD2 ARG A 48 17.348 -33.023 27.448 1.00 42.54 H new ATOM 0 HD3 ARG A 48 18.206 -34.348 26.687 1.00 42.54 H new ATOM 0 HE ARG A 48 20.164 -32.453 27.448 1.00 62.44 H new ATOM 0 HH11 ARG A 48 17.757 -34.563 28.955 1.00 25.54 H new ATOM 0 HH12 ARG A 48 18.676 -34.734 30.454 1.00 25.54 H new ATOM 0 HH21 ARG A 48 21.342 -32.684 29.373 1.00 20.12 H new ATOM 0 HH22 ARG A 48 20.701 -33.672 30.690 1.00 20.12 H new ATOM 765 N GLU A 49 16.425 -28.550 27.620 1.00 44.11 N ATOM 766 CA GLU A 49 16.210 -27.119 27.762 1.00 30.02 C ATOM 767 C GLU A 49 17.530 -26.359 27.709 1.00 63.13 C ATOM 768 O GLU A 49 18.600 -26.929 27.925 1.00 72.31 O ATOM 769 CB GLU A 49 15.486 -26.807 29.077 1.00 5.24 C ATOM 770 CG GLU A 49 14.232 -27.638 29.301 1.00 21.11 C ATOM 771 CD GLU A 49 14.483 -28.859 30.163 1.00 74.41 C ATOM 772 OE1 GLU A 49 13.769 -29.031 31.174 1.00 50.41 O ATOM 773 OE2 GLU A 49 15.399 -29.643 29.845 1.00 41.04 O1- ATOM 0 H GLU A 49 16.398 -29.072 28.496 1.00 44.11 H new ATOM 0 HA GLU A 49 15.587 -26.795 26.928 1.00 30.02 H new ATOM 0 HB2 GLU A 49 16.173 -26.972 29.907 1.00 5.24 H new ATOM 0 HB3 GLU A 49 15.218 -25.751 29.091 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.470 -27.017 29.771 1.00 21.11 H new ATOM 0 HG3 GLU A 49 13.835 -27.955 28.337 1.00 21.11 H new ATOM 780 N VAL A 50 17.442 -25.074 27.417 1.00 34.14 N ATOM 781 CA VAL A 50 18.615 -24.217 27.350 1.00 54.31 C ATOM 782 C VAL A 50 18.429 -22.994 28.237 1.00 4.42 C ATOM 783 O VAL A 50 17.337 -22.424 28.296 1.00 41.03 O ATOM 784 CB VAL A 50 18.894 -23.740 25.903 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.283 -24.907 25.010 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.690 -23.009 25.324 1.00 31.42 C ATOM 0 H VAL A 50 16.562 -24.596 27.221 1.00 34.14 H new ATOM 0 HA VAL A 50 19.463 -24.808 27.696 1.00 54.31 H new ATOM 0 HB VAL A 50 19.731 -23.043 25.942 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.473 -24.544 24.000 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.184 -25.380 25.401 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.471 -25.634 24.988 1.00 14.02 H new ATOM 0 HG21 VAL A 50 17.915 -22.686 24.308 1.00 31.42 H new ATOM 0 HG22 VAL A 50 16.830 -23.679 25.310 1.00 31.42 H new ATOM 0 HG23 VAL A 50 17.462 -22.139 25.939 1.00 31.42 H new ATOM 796 N VAL A 51 19.475 -22.599 28.942 1.00 23.20 N ATOM 797 CA VAL A 51 19.435 -21.352 29.681 1.00 2.24 C ATOM 798 C VAL A 51 20.228 -20.287 28.922 1.00 12.52 C ATOM 799 O VAL A 51 21.455 -20.196 29.011 1.00 73.23 O ATOM 800 CB VAL A 51 19.954 -21.525 31.133 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.304 -22.226 31.160 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.020 -20.185 31.854 1.00 4.13 C ATOM 0 H VAL A 51 20.351 -23.116 29.017 1.00 23.20 H new ATOM 0 HA VAL A 51 18.398 -21.028 29.764 1.00 2.24 H new ATOM 0 HB VAL A 51 19.243 -22.158 31.664 1.00 35.20 H new ATOM 0 HG11 VAL A 51 21.639 -22.331 32.192 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.211 -23.213 30.706 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.031 -21.637 30.601 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.387 -20.336 32.869 1.00 4.13 H new ATOM 0 HG22 VAL A 51 20.696 -19.517 31.319 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.025 -19.742 31.890 1.00 4.13 H new ATOM 812 N GLY A 52 19.506 -19.505 28.140 1.00 43.00 N ATOM 813 CA GLY A 52 20.121 -18.477 27.337 1.00 12.21 C ATOM 814 C GLY A 52 19.153 -17.360 27.035 1.00 21.54 C ATOM 815 O GLY A 52 17.958 -17.490 27.311 1.00 21.14 O ATOM 0 H GLY A 52 18.492 -19.566 28.047 1.00 43.00 H new ATOM 0 HA2 GLY A 52 20.990 -18.076 27.860 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.482 -18.910 26.404 1.00 12.21 H new ATOM 819 N PRO A 53 19.628 -16.254 26.452 1.00 41.45 N ATOM 820 CA PRO A 53 18.761 -15.160 26.021 1.00 13.20 C ATOM 821 C PRO A 53 18.061 -15.497 24.702 1.00 34.33 C ATOM 822 O PRO A 53 18.103 -14.720 23.744 1.00 53.40 O ATOM 823 CB PRO A 53 19.743 -14.003 25.838 1.00 30.31 C ATOM 824 CG PRO A 53 21.024 -14.656 25.448 1.00 70.42 C ATOM 825 CD PRO A 53 21.052 -15.982 26.158 1.00 22.42 C ATOM 0 HA PRO A 53 17.960 -14.942 26.727 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.401 -13.310 25.069 1.00 30.31 H new ATOM 0 HB3 PRO A 53 19.855 -13.429 26.758 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.079 -14.792 24.368 1.00 70.42 H new ATOM 0 HG3 PRO A 53 21.877 -14.042 25.736 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.488 -16.762 25.533 1.00 22.42 H new ATOM 0 HD3 PRO A 53 21.647 -15.935 27.070 1.00 22.42 H new ATOM 833 N LYS A 54 17.413 -16.660 24.661 1.00 53.33 N ATOM 834 CA LYS A 54 16.828 -17.163 23.428 1.00 53.43 C ATOM 835 C LYS A 54 15.524 -16.448 23.081 1.00 54.24 C ATOM 836 O LYS A 54 14.430 -16.877 23.436 1.00 72.35 O ATOM 837 CB LYS A 54 16.642 -18.694 23.489 1.00 14.34 C ATOM 838 CG LYS A 54 16.308 -19.271 24.870 1.00 2.25 C ATOM 839 CD LYS A 54 14.866 -19.014 25.278 1.00 62.01 C ATOM 840 CE LYS A 54 14.477 -19.802 26.517 1.00 22.54 C ATOM 841 NZ LYS A 54 13.053 -19.582 26.885 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.282 -17.268 25.469 1.00 53.33 H new ATOM 0 HA LYS A 54 17.528 -16.945 22.621 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.846 -18.972 22.798 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.556 -19.167 23.130 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.495 -20.345 24.866 1.00 2.25 H new ATOM 0 HG3 LYS A 54 16.975 -18.834 25.613 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.727 -17.950 25.467 1.00 62.01 H new ATOM 0 HD3 LYS A 54 14.203 -19.281 24.455 1.00 62.01 H new ATOM 0 HE2 LYS A 54 14.647 -20.864 26.341 1.00 22.54 H new ATOM 0 HE3 LYS A 54 15.117 -19.510 27.350 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.709 -20.392 27.439 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 12.971 -18.714 27.452 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 12.482 -19.486 26.021 1.00 20.32 H new ATOM 855 N VAL A 55 15.666 -15.337 22.387 1.00 2.14 N ATOM 856 CA VAL A 55 14.536 -14.586 21.876 1.00 11.43 C ATOM 857 C VAL A 55 15.014 -13.647 20.775 1.00 43.22 C ATOM 858 O VAL A 55 16.016 -12.950 20.941 1.00 65.24 O ATOM 859 CB VAL A 55 13.808 -13.790 22.994 1.00 34.24 C ATOM 860 CG1 VAL A 55 14.755 -12.834 23.705 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.611 -13.034 22.431 1.00 74.12 C ATOM 0 H VAL A 55 16.572 -14.927 22.160 1.00 2.14 H new ATOM 0 HA VAL A 55 13.812 -15.293 21.471 1.00 11.43 H new ATOM 0 HB VAL A 55 13.448 -14.512 23.727 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.212 -12.294 24.481 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.569 -13.399 24.159 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.163 -12.124 22.986 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.118 -12.485 23.233 1.00 74.12 H new ATOM 0 HG22 VAL A 55 12.949 -12.335 21.666 1.00 74.12 H new ATOM 0 HG23 VAL A 55 11.908 -13.741 21.990 1.00 74.12 H new ATOM 871 N ARG A 56 14.342 -13.668 19.638 1.00 3.44 N ATOM 872 CA ARG A 56 14.694 -12.788 18.534 1.00 30.34 C ATOM 873 C ARG A 56 13.471 -12.055 18.031 1.00 34.22 C ATOM 874 O ARG A 56 12.430 -12.664 17.789 1.00 45.24 O ATOM 875 CB ARG A 56 15.311 -13.566 17.375 1.00 31.13 C ATOM 876 CG ARG A 56 16.561 -14.340 17.737 1.00 60.22 C ATOM 877 CD ARG A 56 17.678 -13.434 18.228 1.00 12.52 C ATOM 878 NE ARG A 56 18.948 -14.150 18.255 1.00 73.32 N ATOM 879 CZ ARG A 56 19.955 -13.883 19.082 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.828 -12.965 20.037 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.086 -14.559 18.963 1.00 53.04 N ATOM 0 H ARG A 56 13.550 -14.284 19.453 1.00 3.44 H new ATOM 0 HA ARG A 56 15.426 -12.075 18.912 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.568 -14.261 16.984 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.550 -12.869 16.572 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.322 -15.070 18.510 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.905 -14.898 16.866 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.759 -12.563 17.577 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.442 -13.065 19.226 1.00 12.52 H new ATOM 0 HE ARG A 56 19.074 -14.913 17.590 1.00 73.32 H new ATOM 0 HH11 ARG A 56 18.950 -12.456 20.142 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.608 -12.770 20.664 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.178 -15.276 18.243 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.866 -14.363 19.591 1.00 53.04 H new ATOM 895 N LYS A 57 13.605 -10.755 17.876 1.00 33.31 N ATOM 896 CA LYS A 57 12.546 -9.936 17.324 1.00 4.11 C ATOM 897 C LYS A 57 12.922 -9.525 15.909 1.00 15.33 C ATOM 898 O LYS A 57 14.064 -9.140 15.658 1.00 3.22 O ATOM 899 CB LYS A 57 12.335 -8.711 18.209 1.00 43.11 C ATOM 900 CG LYS A 57 11.143 -7.850 17.822 1.00 71.30 C ATOM 901 CD LYS A 57 10.983 -6.690 18.788 1.00 14.43 C ATOM 902 CE LYS A 57 10.734 -7.180 20.206 1.00 11.33 C ATOM 903 NZ LYS A 57 10.879 -6.088 21.203 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.447 -10.238 18.128 1.00 33.31 H new ATOM 0 HA LYS A 57 11.613 -10.499 17.290 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.209 -9.041 19.240 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.235 -8.097 18.179 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.276 -7.470 16.809 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.236 -8.455 17.819 1.00 71.30 H new ATOM 0 HD2 LYS A 57 11.880 -6.071 18.767 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.153 -6.060 18.468 1.00 14.43 H new ATOM 0 HE2 LYS A 57 9.731 -7.602 20.273 1.00 11.33 H new ATOM 0 HE3 LYS A 57 11.434 -7.982 20.441 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 10.701 -6.463 22.157 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 11.843 -5.702 21.157 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 10.194 -5.334 20.994 1.00 52.31 H new ATOM 917 N CYS A 58 11.985 -9.641 14.982 1.00 72.13 N ATOM 918 CA CYS A 58 12.253 -9.298 13.594 1.00 62.31 C ATOM 919 C CYS A 58 12.310 -7.784 13.413 1.00 74.10 C ATOM 920 O CYS A 58 11.582 -7.038 14.075 1.00 14.35 O ATOM 921 CB CYS A 58 11.192 -9.905 12.678 1.00 65.03 C ATOM 922 SG CYS A 58 11.503 -9.628 10.907 1.00 34.12 S ATOM 0 H CYS A 58 11.036 -9.968 15.164 1.00 72.13 H new ATOM 0 HA CYS A 58 13.224 -9.712 13.322 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.136 -10.978 12.864 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.220 -9.485 12.936 1.00 65.03 H new ATOM 927 N LEU A 59 13.178 -7.344 12.518 1.00 20.31 N ATOM 928 CA LEU A 59 13.385 -5.930 12.262 1.00 35.20 C ATOM 929 C LEU A 59 12.903 -5.575 10.860 1.00 35.41 C ATOM 930 O LEU A 59 12.402 -6.434 10.138 1.00 75.32 O ATOM 931 CB LEU A 59 14.866 -5.582 12.414 1.00 75.13 C ATOM 932 CG LEU A 59 15.454 -5.808 13.807 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.938 -5.478 13.816 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.712 -4.972 14.838 1.00 11.24 C ATOM 0 H LEU A 59 13.759 -7.958 11.948 1.00 20.31 H new ATOM 0 HA LEU A 59 12.811 -5.352 12.987 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.436 -6.173 11.697 1.00 75.13 H new ATOM 0 HB3 LEU A 59 15.005 -4.535 12.145 1.00 75.13 H new ATOM 0 HG LEU A 59 15.335 -6.860 14.068 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.342 -5.644 14.815 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.458 -6.119 13.104 1.00 24.20 H new ATOM 0 HD13 LEU A 59 17.080 -4.434 13.536 1.00 24.20 H new ATOM 0 HD21 LEU A 59 15.143 -5.144 15.824 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.801 -3.916 14.583 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.660 -5.256 14.847 1.00 11.24 H new ATOM 946 N ALA A 60 13.055 -4.312 10.473 1.00 33.55 N ATOM 947 CA ALA A 60 12.615 -3.852 9.156 1.00 14.42 C ATOM 948 C ALA A 60 13.635 -4.217 8.077 1.00 34.01 C ATOM 949 O ALA A 60 13.728 -3.555 7.040 1.00 3.23 O ATOM 950 CB ALA A 60 12.376 -2.349 9.179 1.00 21.55 C ATOM 0 H ALA A 60 13.479 -3.587 11.052 1.00 33.55 H new ATOM 0 HA ALA A 60 11.678 -4.354 8.914 1.00 14.42 H new ATOM 0 HB1 ALA A 60 12.049 -2.017 8.194 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.607 -2.114 9.915 1.00 21.55 H new ATOM 0 HB3 ALA A 60 13.301 -1.838 9.445 1.00 21.55 H new ATOM 956 N ASN A 61 14.374 -5.288 8.321 1.00 62.21 N ATOM 957 CA ASN A 61 15.389 -5.764 7.400 1.00 25.33 C ATOM 958 C ASN A 61 15.477 -7.283 7.491 1.00 24.31 C ATOM 959 O ASN A 61 14.852 -7.886 8.361 1.00 33.40 O ATOM 960 CB ASN A 61 16.743 -5.102 7.696 1.00 32.31 C ATOM 961 CG ASN A 61 17.237 -5.334 9.114 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.838 -4.630 10.047 1.00 1.31 O ATOM 963 ND2 ASN A 61 18.152 -6.275 9.278 1.00 4.55 N ATOM 0 H ASN A 61 14.285 -5.852 9.166 1.00 62.21 H new ATOM 0 HA ASN A 61 15.114 -5.491 6.381 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.485 -5.483 6.995 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.660 -4.030 7.520 1.00 32.31 H new ATOM 0 HD21 ASN A 61 18.554 -6.440 10.201 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.455 -6.836 8.482 1.00 4.55 H new ATOM 970 N GLY A 62 16.254 -7.895 6.607 1.00 21.23 N ATOM 971 CA GLY A 62 16.274 -9.348 6.511 1.00 43.34 C ATOM 972 C GLY A 62 16.892 -10.033 7.719 1.00 30.15 C ATOM 973 O GLY A 62 16.671 -11.224 7.947 1.00 74.22 O ATOM 0 H GLY A 62 16.872 -7.414 5.953 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.253 -9.709 6.383 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.828 -9.636 5.618 1.00 43.34 H new ATOM 977 N SER A 63 17.660 -9.289 8.490 1.00 32.44 N ATOM 978 CA SER A 63 18.338 -9.843 9.648 1.00 55.04 C ATOM 979 C SER A 63 17.576 -9.529 10.933 1.00 64.31 C ATOM 980 O SER A 63 16.957 -8.473 11.062 1.00 34.44 O ATOM 981 CB SER A 63 19.760 -9.289 9.729 1.00 2.41 C ATOM 982 OG SER A 63 20.433 -9.447 8.491 1.00 62.04 O ATOM 0 H SER A 63 17.831 -8.295 8.336 1.00 32.44 H new ATOM 0 HA SER A 63 18.379 -10.927 9.537 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.729 -8.233 9.999 1.00 2.41 H new ATOM 0 HB3 SER A 63 20.311 -9.803 10.516 1.00 2.41 H new ATOM 0 HG SER A 63 21.341 -9.085 8.563 1.00 62.04 H new ATOM 988 N TRP A 64 17.632 -10.457 11.876 1.00 43.33 N ATOM 989 CA TRP A 64 16.962 -10.299 13.159 1.00 43.33 C ATOM 990 C TRP A 64 17.765 -9.366 14.072 1.00 14.23 C ATOM 991 O TRP A 64 18.810 -8.847 13.671 1.00 63.32 O ATOM 992 CB TRP A 64 16.761 -11.669 13.819 1.00 65.43 C ATOM 993 CG TRP A 64 15.878 -12.594 13.026 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.212 -13.280 11.892 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.514 -12.935 13.306 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.143 -14.019 11.450 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.090 -13.825 12.300 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.610 -12.576 14.309 1.00 55.00 C ATOM 999 CZ2 TRP A 64 12.804 -14.355 12.268 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.336 -13.103 14.275 1.00 13.34 C ATOM 1001 CH2 TRP A 64 11.943 -13.985 13.263 1.00 30.45 C ATOM 0 H TRP A 64 18.140 -11.336 11.775 1.00 43.33 H new ATOM 0 HA TRP A 64 15.984 -9.848 12.993 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.733 -12.141 13.961 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.328 -11.526 14.809 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.179 -13.246 11.412 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.136 -14.615 10.623 1.00 61.14 H new ATOM 0 HE3 TRP A 64 13.904 -11.898 15.097 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.497 -15.034 11.486 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.629 -12.830 15.044 1.00 13.34 H new ATOM 0 HH2 TRP A 64 10.939 -14.382 13.268 1.00 30.45 H new ATOM 1012 N THR A 65 17.269 -9.153 15.286 1.00 64.24 N ATOM 1013 CA THR A 65 17.883 -8.231 16.241 1.00 62.45 C ATOM 1014 C THR A 65 19.365 -8.526 16.492 1.00 71.12 C ATOM 1015 O THR A 65 20.204 -7.624 16.431 1.00 30.41 O ATOM 1016 CB THR A 65 17.131 -8.269 17.581 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.768 -9.625 17.895 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.887 -7.398 17.527 1.00 4.51 C ATOM 0 H THR A 65 16.430 -9.614 15.638 1.00 64.24 H new ATOM 0 HA THR A 65 17.815 -7.240 15.793 1.00 62.45 H new ATOM 0 HB THR A 65 17.788 -7.880 18.359 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.290 -9.646 18.750 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.371 -7.441 18.486 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.173 -6.368 17.314 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.223 -7.760 16.742 1.00 4.51 H new ATOM 1026 N ASP A 66 19.679 -9.781 16.782 1.00 71.12 N ATOM 1027 CA ASP A 66 21.048 -10.179 17.093 1.00 34.33 C ATOM 1028 C ASP A 66 21.363 -11.520 16.456 1.00 13.42 C ATOM 1029 O ASP A 66 20.498 -12.396 16.400 1.00 3.12 O ATOM 1030 CB ASP A 66 21.233 -10.303 18.613 1.00 63.41 C ATOM 1031 CG ASP A 66 22.677 -10.520 19.019 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.332 -9.537 19.423 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.158 -11.670 18.955 1.00 24.04 O1- ATOM 0 H ASP A 66 19.003 -10.544 16.809 1.00 71.12 H new ATOM 0 HA ASP A 66 21.721 -9.417 16.700 1.00 34.33 H new ATOM 0 HB2 ASP A 66 20.858 -9.399 19.094 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.630 -11.133 18.980 1.00 63.41 H new ATOM 1038 N MET A 67 22.580 -11.685 15.952 1.00 22.12 N ATOM 1039 CA MET A 67 23.042 -13.016 15.589 1.00 54.13 C ATOM 1040 C MET A 67 24.503 -13.223 15.969 1.00 53.22 C ATOM 1041 O MET A 67 25.399 -13.089 15.132 1.00 32.02 O ATOM 1042 CB MET A 67 22.889 -13.270 14.083 1.00 11.22 C ATOM 1043 CG MET A 67 21.457 -13.276 13.583 1.00 72.34 C ATOM 1044 SD MET A 67 21.359 -13.651 11.823 1.00 2.02 S ATOM 1045 CE MET A 67 19.604 -13.480 11.533 1.00 10.45 C ATOM 0 H MET A 67 23.250 -10.933 15.789 1.00 22.12 H new ATOM 0 HA MET A 67 22.421 -13.720 16.142 1.00 54.13 H new ATOM 0 HB2 MET A 67 23.445 -12.505 13.541 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.348 -14.229 13.842 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.880 -14.012 14.143 1.00 72.34 H new ATOM 0 HG3 MET A 67 21.003 -12.304 13.772 1.00 72.34 H new ATOM 0 HE1 MET A 67 19.298 -14.161 10.739 1.00 10.45 H new ATOM 0 HE2 MET A 67 19.059 -13.720 12.446 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.382 -12.455 11.237 1.00 10.45 H new ATOM 1055 N ASP A 68 24.732 -13.511 17.242 1.00 24.31 N ATOM 1056 CA ASP A 68 25.938 -14.194 17.700 1.00 2.01 C ATOM 1057 C ASP A 68 25.728 -14.616 19.140 1.00 63.14 C ATOM 1058 O ASP A 68 26.039 -13.863 20.065 1.00 55.15 O ATOM 1059 CB ASP A 68 27.198 -13.326 17.579 1.00 13.54 C ATOM 1060 CG ASP A 68 28.467 -14.144 17.755 1.00 11.43 C ATOM 1061 OD1 ASP A 68 28.918 -14.764 16.765 1.00 34.44 O ATOM 1062 OD2 ASP A 68 29.021 -14.182 18.877 1.00 51.53 O1- ATOM 0 H ASP A 68 24.083 -13.277 17.993 1.00 24.31 H new ATOM 0 HA ASP A 68 26.103 -15.061 17.060 1.00 2.01 H new ATOM 0 HB2 ASP A 68 27.212 -12.839 16.604 1.00 13.54 H new ATOM 0 HB3 ASP A 68 27.168 -12.536 18.329 1.00 13.54 H new ATOM 1067 N THR A 69 25.175 -15.793 19.345 1.00 35.52 N ATOM 1068 CA THR A 69 24.799 -16.204 20.686 1.00 74.33 C ATOM 1069 C THR A 69 24.821 -17.723 20.826 1.00 61.54 C ATOM 1070 O THR A 69 23.907 -18.414 20.372 1.00 13.04 O ATOM 1071 CB THR A 69 23.390 -15.678 21.037 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.190 -14.373 20.476 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.186 -15.591 22.538 1.00 22.51 C ATOM 0 H THR A 69 24.977 -16.475 18.613 1.00 35.52 H new ATOM 0 HA THR A 69 25.528 -15.779 21.376 1.00 74.33 H new ATOM 0 HB THR A 69 22.671 -16.383 20.619 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.574 -13.864 21.043 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.184 -15.217 22.748 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.304 -16.581 22.979 1.00 22.51 H new ATOM 0 HG23 THR A 69 23.924 -14.912 22.967 1.00 22.51 H new ATOM 1081 N PRO A 70 25.888 -18.263 21.434 1.00 34.41 N ATOM 1082 CA PRO A 70 25.996 -19.695 21.713 1.00 42.43 C ATOM 1083 C PRO A 70 25.050 -20.121 22.832 1.00 23.34 C ATOM 1084 O PRO A 70 25.190 -19.688 23.982 1.00 64.14 O ATOM 1085 CB PRO A 70 27.452 -19.863 22.149 1.00 61.51 C ATOM 1086 CG PRO A 70 27.831 -18.534 22.704 1.00 11.35 C ATOM 1087 CD PRO A 70 27.077 -17.519 21.888 1.00 41.03 C ATOM 0 HA PRO A 70 25.727 -20.308 20.853 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.554 -20.649 22.897 1.00 61.51 H new ATOM 0 HB3 PRO A 70 28.089 -20.138 21.308 1.00 61.51 H new ATOM 0 HG2 PRO A 70 27.567 -18.461 23.759 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.907 -18.373 22.632 1.00 11.35 H new ATOM 0 HD2 PRO A 70 26.803 -16.648 22.483 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.670 -17.158 21.048 1.00 41.03 H new ATOM 1095 N SER A 71 24.078 -20.950 22.490 1.00 21.45 N ATOM 1096 CA SER A 71 23.107 -21.422 23.459 1.00 53.41 C ATOM 1097 C SER A 71 23.576 -22.740 24.067 1.00 14.12 C ATOM 1098 O SER A 71 24.038 -23.643 23.359 1.00 73.30 O ATOM 1099 CB SER A 71 21.731 -21.582 22.800 1.00 41.55 C ATOM 1100 OG SER A 71 20.723 -21.848 23.761 1.00 70.34 O ATOM 0 H SER A 71 23.941 -21.310 21.546 1.00 21.45 H new ATOM 0 HA SER A 71 23.016 -20.687 24.258 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.481 -20.674 22.251 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.766 -22.394 22.074 1.00 41.55 H new ATOM 0 HG SER A 71 19.858 -21.943 23.310 1.00 70.34 H new ATOM 1106 N ARG A 72 23.471 -22.837 25.381 1.00 45.03 N ATOM 1107 CA ARG A 72 23.946 -24.005 26.101 1.00 4.44 C ATOM 1108 C ARG A 72 22.786 -24.917 26.478 1.00 75.30 C ATOM 1109 O ARG A 72 21.830 -24.489 27.127 1.00 23.40 O ATOM 1110 CB ARG A 72 24.720 -23.577 27.351 1.00 34.44 C ATOM 1111 CG ARG A 72 23.907 -22.733 28.320 1.00 12.31 C ATOM 1112 CD ARG A 72 24.768 -22.182 29.442 1.00 24.33 C ATOM 1113 NE ARG A 72 25.856 -21.364 28.922 1.00 52.22 N ATOM 1114 CZ ARG A 72 25.973 -20.057 29.126 1.00 64.42 C ATOM 1115 NH1 ARG A 72 25.119 -19.411 29.909 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 26.969 -19.400 28.556 1.00 31.31 N ATOM 0 H ARG A 72 23.059 -22.116 25.973 1.00 45.03 H new ATOM 0 HA ARG A 72 24.617 -24.563 25.448 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.075 -24.468 27.870 1.00 34.44 H new ATOM 0 HB3 ARG A 72 25.602 -23.014 27.045 1.00 34.44 H new ATOM 0 HG2 ARG A 72 23.440 -21.909 27.781 1.00 12.31 H new ATOM 0 HG3 ARG A 72 23.102 -23.336 28.741 1.00 12.31 H new ATOM 0 HD2 ARG A 72 24.153 -21.586 30.116 1.00 24.33 H new ATOM 0 HD3 ARG A 72 25.177 -23.006 30.027 1.00 24.33 H new ATOM 0 HE ARG A 72 26.575 -21.826 28.365 1.00 52.22 H new ATOM 0 HH11 ARG A 72 24.360 -19.918 30.364 1.00 45.44 H new ATOM 0 HH12 ARG A 72 25.221 -18.407 30.056 1.00 45.44 H new ATOM 0 HH21 ARG A 72 27.637 -19.897 27.967 1.00 31.31 H new ATOM 0 HH22 ARG A 72 27.069 -18.396 28.705 1.00 31.31 H new ATOM 1130 N CYS A 73 22.860 -26.167 26.050 1.00 4.41 N ATOM 1131 CA CYS A 73 21.848 -27.145 26.410 1.00 74.22 C ATOM 1132 C CYS A 73 22.063 -27.589 27.849 1.00 15.32 C ATOM 1133 O CYS A 73 22.912 -28.436 28.136 1.00 21.44 O ATOM 1134 CB CYS A 73 21.891 -28.344 25.458 1.00 72.10 C ATOM 1135 SG CYS A 73 21.711 -27.896 23.697 1.00 53.24 S ATOM 0 H CYS A 73 23.607 -26.527 25.456 1.00 4.41 H new ATOM 0 HA CYS A 73 20.862 -26.688 26.323 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.836 -28.870 25.594 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.097 -29.040 25.729 1.00 72.10 H new ATOM 1140 N VAL A 74 21.298 -26.984 28.743 1.00 70.53 N ATOM 1141 CA VAL A 74 21.398 -27.223 30.169 1.00 64.52 C ATOM 1142 C VAL A 74 20.416 -26.300 30.882 1.00 43.42 C ATOM 1143 O VAL A 74 20.078 -25.233 30.366 1.00 34.31 O ATOM 1144 CB VAL A 74 22.840 -26.984 30.698 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.226 -25.512 30.611 1.00 11.41 C ATOM 1146 CG2 VAL A 74 22.994 -27.503 32.126 1.00 43.31 C ATOM 0 H VAL A 74 20.581 -26.304 28.492 1.00 70.53 H new ATOM 0 HA VAL A 74 21.156 -28.267 30.368 1.00 64.52 H new ATOM 0 HB VAL A 74 23.522 -27.545 30.059 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.240 -25.379 30.989 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.180 -25.184 29.572 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.535 -24.919 31.210 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.012 -27.323 32.471 1.00 43.31 H new ATOM 0 HG22 VAL A 74 22.293 -26.984 32.779 1.00 43.31 H new ATOM 0 HG23 VAL A 74 22.787 -28.573 32.149 1.00 43.31 H new ATOM 1156 N ARG A 75 19.934 -26.718 32.037 1.00 64.45 N ATOM 1157 CA ARG A 75 18.967 -25.937 32.791 1.00 54.13 C ATOM 1158 C ARG A 75 19.433 -25.767 34.231 1.00 45.21 C ATOM 1159 O ARG A 75 19.493 -26.779 34.957 1.00 37.22 O ATOM 1160 CB ARG A 75 17.572 -26.585 32.740 1.00 55.34 C ATOM 1161 CG ARG A 75 17.531 -27.972 32.095 1.00 43.51 C ATOM 1162 CD ARG A 75 17.784 -29.100 33.092 1.00 51.22 C ATOM 1163 NE ARG A 75 19.122 -29.047 33.681 1.00 74.41 N ATOM 1164 CZ ARG A 75 20.000 -30.051 33.634 1.00 23.14 C ATOM 1165 NH1 ARG A 75 19.696 -31.176 32.999 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 21.186 -29.928 34.215 1.00 4.05 N ATOM 1167 OXT ARG A 75 19.740 -24.627 34.632 1.00 37.22 O ATOM 0 H ARG A 75 20.197 -27.600 32.477 1.00 64.45 H new ATOM 0 HA ARG A 75 18.892 -24.951 32.332 1.00 54.13 H new ATOM 0 HB2 ARG A 75 17.185 -26.661 33.756 1.00 55.34 H new ATOM 0 HB3 ARG A 75 16.900 -25.925 32.191 1.00 55.34 H new ATOM 0 HG2 ARG A 75 16.558 -28.120 31.626 1.00 43.51 H new ATOM 0 HG3 ARG A 75 18.278 -28.021 31.302 1.00 43.51 H new ATOM 0 HD2 ARG A 75 17.040 -29.050 33.887 1.00 51.22 H new ATOM 0 HD3 ARG A 75 17.651 -30.059 32.591 1.00 51.22 H new ATOM 0 HE ARG A 75 19.401 -28.189 34.157 1.00 74.41 H new ATOM 0 HH11 ARG A 75 18.788 -31.276 32.544 1.00 33.54 H new ATOM 0 HH12 ARG A 75 20.370 -31.941 32.965 1.00 33.54 H new ATOM 0 HH21 ARG A 75 21.429 -29.064 34.700 1.00 4.05 H new ATOM 0 HH22 ARG A 75 21.855 -30.697 34.177 1.00 4.05 H new TER 1181 ARG A 75