USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 963 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 29 ASN : amide:sc= 0.46 K(o=-1.5,f=-3.9!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.94! C(o=-1.5!,f=-9.2!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0775 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.62 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -64:sc= 0.158 USER MOD Single : A 8 GLN : amide:sc= -1.61! C(o=-1.6!,f=-1.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 130:sc= -0.299 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.08 (180deg=-0.463) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0247) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.285 (180deg=-0.372) USER MOD Single : A 35 HIS : no HD1:sc= -0.745 K(o=-0.75,f=-2.1!) USER MOD Single : A 36 SER OG : rot -120:sc= -1.78 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.789 USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.21 USER MOD Single : A 53 LYS NZ :NH3+ -105:sc= -0.424 (180deg=-2.36!) USER MOD Single : A 56 THR OG1 : rot -53:sc= 0.139 USER MOD Single : A 66 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.067) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 24:sc= 1.02 USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.00332 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 151:sc= 1.23 USER MOD Single : A 89 THR OG1 : rot -30:sc= 0.655 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.856 K(o=-0.86,f=-0.2) USER MOD Single : A 99 ASN : amide:sc= -2.95! K(o=-3!,f=-0.21) USER MOD Single : A 102 LYS NZ :NH3+ 162:sc=-0.00653 (180deg=-0.178) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.132 K(o=-0.13,f=-2!) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -0.948 K(o=-0.95,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.082 1.481 6.800 1.00 0.00 N ATOM 2 CA GLY A 1 -9.402 1.913 8.148 1.00 0.00 C ATOM 3 C GLY A 1 -8.266 1.665 9.121 1.00 0.00 C ATOM 4 O GLY A 1 -7.138 1.392 8.713 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.247 2.264 6.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.083 1.194 6.755 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.686 0.675 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.642 2.976 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.293 1.388 8.493 1.00 0.00 H new ATOM 8 N SER A 2 -8.564 1.763 10.413 1.00 0.00 N ATOM 9 CA SER A 2 -7.558 1.553 11.448 1.00 0.00 C ATOM 10 C SER A 2 -6.448 2.594 11.345 1.00 0.00 C ATOM 11 O SER A 2 -5.267 2.275 11.490 1.00 0.00 O ATOM 12 CB SER A 2 -6.966 0.146 11.335 1.00 0.00 C ATOM 13 OG SER A 2 -6.079 -0.121 12.408 1.00 0.00 O ATOM 0 H SER A 2 -9.494 1.986 10.768 1.00 0.00 H new ATOM 0 HA SER A 2 -8.043 1.659 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.769 -0.591 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.437 0.046 10.388 1.00 0.00 H new ATOM 0 HG SER A 2 -5.378 0.564 12.431 1.00 0.00 H new ATOM 19 N SER A 3 -6.835 3.840 11.093 1.00 0.00 N ATOM 20 CA SER A 3 -5.873 4.929 10.966 1.00 0.00 C ATOM 21 C SER A 3 -5.143 5.164 12.285 1.00 0.00 C ATOM 22 O SER A 3 -3.918 5.284 12.317 1.00 0.00 O ATOM 23 CB SER A 3 -6.579 6.212 10.525 1.00 0.00 C ATOM 24 OG SER A 3 -5.701 7.052 9.794 1.00 0.00 O ATOM 0 H SER A 3 -7.808 4.121 10.973 1.00 0.00 H new ATOM 0 HA SER A 3 -5.140 4.648 10.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.444 5.962 9.911 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.953 6.744 11.400 1.00 0.00 H new ATOM 0 HG SER A 3 -6.177 7.865 9.522 1.00 0.00 H new ATOM 30 N GLY A 4 -5.904 5.230 13.373 1.00 0.00 N ATOM 31 CA GLY A 4 -5.313 5.451 14.680 1.00 0.00 C ATOM 32 C GLY A 4 -5.301 6.916 15.070 1.00 0.00 C ATOM 33 O GLY A 4 -5.690 7.779 14.282 1.00 0.00 O ATOM 0 H GLY A 4 -6.920 5.134 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.868 4.884 15.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.292 5.069 14.683 1.00 0.00 H new ATOM 37 N SER A 5 -4.853 7.198 16.289 1.00 0.00 N ATOM 38 CA SER A 5 -4.796 8.569 16.784 1.00 0.00 C ATOM 39 C SER A 5 -3.951 9.444 15.865 1.00 0.00 C ATOM 40 O SER A 5 -2.724 9.348 15.854 1.00 0.00 O ATOM 41 CB SER A 5 -4.224 8.598 18.203 1.00 0.00 C ATOM 42 OG SER A 5 -5.151 8.073 19.138 1.00 0.00 O ATOM 0 H SER A 5 -4.524 6.496 16.952 1.00 0.00 H new ATOM 0 HA SER A 5 -5.811 8.965 16.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.301 8.020 18.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.969 9.622 18.475 1.00 0.00 H new ATOM 0 HG SER A 5 -4.761 8.101 20.037 1.00 0.00 H new ATOM 48 N SER A 6 -4.617 10.298 15.094 1.00 0.00 N ATOM 49 CA SER A 6 -3.928 11.189 14.167 1.00 0.00 C ATOM 50 C SER A 6 -4.868 12.278 13.660 1.00 0.00 C ATOM 51 O SER A 6 -6.089 12.136 13.718 1.00 0.00 O ATOM 52 CB SER A 6 -3.366 10.395 12.986 1.00 0.00 C ATOM 53 OG SER A 6 -4.406 9.798 12.231 1.00 0.00 O ATOM 0 H SER A 6 -5.633 10.392 15.093 1.00 0.00 H new ATOM 0 HA SER A 6 -3.105 11.663 14.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.781 11.055 12.346 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.689 9.623 13.352 1.00 0.00 H new ATOM 0 HG SER A 6 -4.877 9.141 12.785 1.00 0.00 H new ATOM 59 N GLY A 7 -4.289 13.367 13.163 1.00 0.00 N ATOM 60 CA GLY A 7 -5.089 14.466 12.654 1.00 0.00 C ATOM 61 C GLY A 7 -4.828 14.740 11.186 1.00 0.00 C ATOM 62 O GLY A 7 -4.750 13.814 10.380 1.00 0.00 O ATOM 0 H GLY A 7 -3.280 13.508 13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.146 14.239 12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.876 15.365 13.232 1.00 0.00 H new ATOM 66 N GLN A 8 -4.696 16.016 10.839 1.00 0.00 N ATOM 67 CA GLN A 8 -4.445 16.409 9.457 1.00 0.00 C ATOM 68 C GLN A 8 -3.015 16.910 9.284 1.00 0.00 C ATOM 69 O GLN A 8 -2.741 18.102 9.429 1.00 0.00 O ATOM 70 CB GLN A 8 -5.434 17.494 9.026 1.00 0.00 C ATOM 71 CG GLN A 8 -6.849 16.980 8.818 1.00 0.00 C ATOM 72 CD GLN A 8 -7.380 16.229 10.023 1.00 0.00 C ATOM 73 OE1 GLN A 8 -7.682 15.038 9.944 1.00 0.00 O ATOM 74 NE2 GLN A 8 -7.498 16.924 11.149 1.00 0.00 N ATOM 0 H GLN A 8 -4.759 16.795 11.495 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.581 15.531 8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.449 18.280 9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.082 17.948 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.508 17.820 8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.869 16.324 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.236 17.910 11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.851 16.472 11.993 1.00 0.00 H new ATOM 83 N LYS A 9 -2.106 15.992 8.975 1.00 0.00 N ATOM 84 CA LYS A 9 -0.703 16.340 8.781 1.00 0.00 C ATOM 85 C LYS A 9 -0.372 16.461 7.297 1.00 0.00 C ATOM 86 O LYS A 9 0.217 15.556 6.706 1.00 0.00 O ATOM 87 CB LYS A 9 0.199 15.287 9.430 1.00 0.00 C ATOM 88 CG LYS A 9 0.477 15.548 10.901 1.00 0.00 C ATOM 89 CD LYS A 9 1.682 16.455 11.088 1.00 0.00 C ATOM 90 CE LYS A 9 2.348 16.225 12.436 1.00 0.00 C ATOM 91 NZ LYS A 9 3.656 16.930 12.536 1.00 0.00 N ATOM 0 H LYS A 9 -2.315 15.001 8.853 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.526 17.305 9.255 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.267 14.307 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.146 15.249 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.399 16.005 11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.650 14.601 11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.402 16.275 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.371 17.497 11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.687 16.571 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.499 15.156 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.078 16.748 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.296 16.582 11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.509 17.953 12.416 1.00 0.00 H new ATOM 105 N ARG A 10 -0.754 17.586 6.700 1.00 0.00 N ATOM 106 CA ARG A 10 -0.498 17.826 5.285 1.00 0.00 C ATOM 107 C ARG A 10 -1.071 16.699 4.431 1.00 0.00 C ATOM 108 O ARG A 10 -0.416 16.210 3.511 1.00 0.00 O ATOM 109 CB ARG A 10 1.005 17.958 5.033 1.00 0.00 C ATOM 110 CG ARG A 10 1.529 19.375 5.198 1.00 0.00 C ATOM 111 CD ARG A 10 1.831 19.692 6.654 1.00 0.00 C ATOM 112 NE ARG A 10 0.635 20.098 7.386 1.00 0.00 N ATOM 113 CZ ARG A 10 0.665 20.658 8.590 1.00 0.00 C ATOM 114 NH1 ARG A 10 1.824 20.877 9.194 1.00 0.00 N ATOM 115 NH2 ARG A 10 -0.467 21.001 9.192 1.00 0.00 N ATOM 0 H ARG A 10 -1.242 18.345 7.175 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.990 18.757 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.539 17.300 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.227 17.613 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.433 19.501 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.794 20.083 4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.268 18.816 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.574 20.487 6.705 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.273 19.943 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.696 20.615 8.734 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.844 21.307 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.361 20.835 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.443 21.431 10.117 1.00 0.00 H new ATOM 129 N ALA A 11 -2.297 16.293 4.742 1.00 0.00 N ATOM 130 CA ALA A 11 -2.959 15.225 4.002 1.00 0.00 C ATOM 131 C ALA A 11 -1.975 14.120 3.635 1.00 0.00 C ATOM 132 O ALA A 11 -1.957 13.644 2.499 1.00 0.00 O ATOM 133 CB ALA A 11 -3.621 15.783 2.751 1.00 0.00 C ATOM 0 H ALA A 11 -2.852 16.687 5.501 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.727 14.793 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.112 14.975 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.361 16.532 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.865 16.242 2.114 1.00 0.00 H new ATOM 139 N TRP A 12 -1.158 13.717 4.601 1.00 0.00 N ATOM 140 CA TRP A 12 -0.170 12.667 4.378 1.00 0.00 C ATOM 141 C TRP A 12 -0.390 11.501 5.334 1.00 0.00 C ATOM 142 O TRP A 12 0.504 11.137 6.100 1.00 0.00 O ATOM 143 CB TRP A 12 1.244 13.225 4.550 1.00 0.00 C ATOM 144 CG TRP A 12 2.307 12.334 3.981 1.00 0.00 C ATOM 145 CD1 TRP A 12 3.341 11.755 4.660 1.00 0.00 C ATOM 146 CD2 TRP A 12 2.440 11.922 2.616 1.00 0.00 C ATOM 147 NE1 TRP A 12 4.109 11.009 3.800 1.00 0.00 N ATOM 148 CE2 TRP A 12 3.577 11.094 2.540 1.00 0.00 C ATOM 149 CE3 TRP A 12 1.709 12.171 1.452 1.00 0.00 C ATOM 150 CZ2 TRP A 12 3.998 10.516 1.346 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.128 11.597 0.267 1.00 0.00 C ATOM 152 CH2 TRP A 12 3.263 10.777 0.221 1.00 0.00 C ATOM 0 H TRP A 12 -1.160 14.101 5.546 1.00 0.00 H new ATOM 0 HA TRP A 12 -0.287 12.302 3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 12 1.303 14.201 4.069 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.439 13.380 5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 12 3.527 11.867 5.718 1.00 0.00 H new ATOM 0 HE1 TRP A 12 4.941 10.478 4.057 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.832 12.801 1.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 4.873 9.884 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 1.571 11.784 -0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 12 3.564 10.342 -0.721 1.00 0.00 H new ATOM 163 N ILE A 13 -1.583 10.918 5.286 1.00 0.00 N ATOM 164 CA ILE A 13 -1.918 9.791 6.148 1.00 0.00 C ATOM 165 C ILE A 13 -2.421 8.605 5.332 1.00 0.00 C ATOM 166 O ILE A 13 -3.003 8.776 4.260 1.00 0.00 O ATOM 167 CB ILE A 13 -2.988 10.176 7.186 1.00 0.00 C ATOM 168 CG1 ILE A 13 -4.215 10.769 6.491 1.00 0.00 C ATOM 169 CG2 ILE A 13 -2.417 11.161 8.196 1.00 0.00 C ATOM 170 CD1 ILE A 13 -5.438 10.837 7.378 1.00 0.00 C ATOM 0 H ILE A 13 -2.334 11.207 4.659 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.003 9.509 6.669 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.295 9.276 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.974 11.773 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.448 10.171 5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.186 11.423 8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.571 10.705 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.085 12.061 7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.269 11.268 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.704 9.833 7.708 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.223 11.459 8.247 1.00 0.00 H new ATOM 182 N THR A 14 -2.195 7.401 5.847 1.00 0.00 N ATOM 183 CA THR A 14 -2.625 6.186 5.167 1.00 0.00 C ATOM 184 C THR A 14 -2.987 5.095 6.168 1.00 0.00 C ATOM 185 O THR A 14 -2.877 5.288 7.378 1.00 0.00 O ATOM 186 CB THR A 14 -1.533 5.655 4.219 1.00 0.00 C ATOM 187 OG1 THR A 14 -0.244 5.803 4.825 1.00 0.00 O ATOM 188 CG2 THR A 14 -1.563 6.396 2.891 1.00 0.00 C ATOM 0 H THR A 14 -1.716 7.241 6.733 1.00 0.00 H new ATOM 0 HA THR A 14 -3.507 6.447 4.582 1.00 0.00 H new ATOM 0 HB THR A 14 -1.727 4.599 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.241 4.953 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.783 6.004 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.536 6.257 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.392 7.459 3.063 1.00 0.00 H new ATOM 196 N ALA A 15 -3.419 3.947 5.655 1.00 0.00 N ATOM 197 CA ALA A 15 -3.795 2.824 6.505 1.00 0.00 C ATOM 198 C ALA A 15 -2.984 1.579 6.159 1.00 0.00 C ATOM 199 O ALA A 15 -2.486 1.423 5.044 1.00 0.00 O ATOM 200 CB ALA A 15 -5.284 2.539 6.376 1.00 0.00 C ATOM 0 H ALA A 15 -3.517 3.771 4.655 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.577 3.093 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.550 1.698 7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.851 3.419 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.519 2.295 5.340 1.00 0.00 H new ATOM 206 N PRO A 16 -2.847 0.672 7.137 1.00 0.00 N ATOM 207 CA PRO A 16 -2.096 -0.575 6.960 1.00 0.00 C ATOM 208 C PRO A 16 -2.803 -1.548 6.022 1.00 0.00 C ATOM 209 O PRO A 16 -3.786 -2.187 6.399 1.00 0.00 O ATOM 210 CB PRO A 16 -2.028 -1.152 8.376 1.00 0.00 C ATOM 211 CG PRO A 16 -3.210 -0.577 9.077 1.00 0.00 C ATOM 212 CD PRO A 16 -3.413 0.792 8.491 1.00 0.00 C ATOM 0 HA PRO A 16 -1.119 -0.402 6.508 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.067 -2.241 8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.099 -0.873 8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.092 -1.200 8.929 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.037 -0.520 10.152 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.468 1.064 8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.902 1.558 9.074 1.00 0.00 H new ATOM 220 N VAL A 17 -2.295 -1.657 4.798 1.00 0.00 N ATOM 221 CA VAL A 17 -2.877 -2.554 3.807 1.00 0.00 C ATOM 222 C VAL A 17 -2.684 -4.013 4.205 1.00 0.00 C ATOM 223 O VAL A 17 -1.605 -4.578 4.031 1.00 0.00 O ATOM 224 CB VAL A 17 -2.259 -2.328 2.414 1.00 0.00 C ATOM 225 CG1 VAL A 17 -2.939 -3.210 1.378 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.352 -0.861 2.022 1.00 0.00 C ATOM 0 H VAL A 17 -1.482 -1.136 4.470 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.943 -2.330 3.765 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.205 -2.604 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.489 -3.036 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.815 -4.257 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.001 -2.969 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.911 -0.719 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.398 -0.556 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.814 -0.255 2.751 1.00 0.00 H new ATOM 236 N ALA A 18 -3.739 -4.619 4.741 1.00 0.00 N ATOM 237 CA ALA A 18 -3.687 -6.013 5.163 1.00 0.00 C ATOM 238 C ALA A 18 -4.129 -6.943 4.038 1.00 0.00 C ATOM 239 O ALA A 18 -5.310 -7.001 3.694 1.00 0.00 O ATOM 240 CB ALA A 18 -4.553 -6.225 6.396 1.00 0.00 C ATOM 0 H ALA A 18 -4.640 -4.166 4.893 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.654 -6.253 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.504 -7.271 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.191 -5.594 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.585 -5.962 6.165 1.00 0.00 H new ATOM 246 N LEU A 19 -3.174 -7.669 3.468 1.00 0.00 N ATOM 247 CA LEU A 19 -3.464 -8.597 2.380 1.00 0.00 C ATOM 248 C LEU A 19 -3.682 -10.010 2.913 1.00 0.00 C ATOM 249 O LEU A 19 -3.211 -10.354 3.997 1.00 0.00 O ATOM 250 CB LEU A 19 -2.322 -8.595 1.362 1.00 0.00 C ATOM 251 CG LEU A 19 -2.212 -7.351 0.480 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.931 -7.389 -0.339 1.00 0.00 C ATOM 253 CD2 LEU A 19 -3.426 -7.233 -0.430 1.00 0.00 C ATOM 0 H LEU A 19 -2.192 -7.633 3.741 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.380 -8.267 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.382 -8.719 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.436 -9.465 0.716 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.180 -6.473 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.870 -6.496 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.072 -7.424 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.932 -8.274 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.330 -6.342 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.489 -8.114 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.329 -7.158 0.176 1.00 0.00 H new ATOM 265 N ARG A 20 -4.398 -10.823 2.143 1.00 0.00 N ATOM 266 CA ARG A 20 -4.678 -12.198 2.537 1.00 0.00 C ATOM 267 C ARG A 20 -4.256 -13.174 1.443 1.00 0.00 C ATOM 268 O ARG A 20 -5.013 -13.440 0.510 1.00 0.00 O ATOM 269 CB ARG A 20 -6.167 -12.371 2.843 1.00 0.00 C ATOM 270 CG ARG A 20 -6.579 -13.817 3.068 1.00 0.00 C ATOM 271 CD ARG A 20 -7.998 -13.915 3.605 1.00 0.00 C ATOM 272 NE ARG A 20 -8.991 -13.887 2.534 1.00 0.00 N ATOM 273 CZ ARG A 20 -9.465 -12.767 2.000 1.00 0.00 C ATOM 274 NH1 ARG A 20 -9.038 -11.589 2.434 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.368 -12.823 1.029 1.00 0.00 N ATOM 0 H ARG A 20 -4.795 -10.553 1.243 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.102 -12.416 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.417 -11.789 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.749 -11.961 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.505 -14.368 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.890 -14.288 3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.107 -14.837 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.183 -13.090 4.293 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.340 -14.776 2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.344 -11.541 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.404 -10.731 2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.699 -13.727 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.731 -11.962 0.620 1.00 0.00 H new ATOM 289 N GLU A 21 -3.043 -13.704 1.564 1.00 0.00 N ATOM 290 CA GLU A 21 -2.520 -14.649 0.584 1.00 0.00 C ATOM 291 C GLU A 21 -3.639 -15.519 0.018 1.00 0.00 C ATOM 292 O GLU A 21 -4.551 -15.923 0.738 1.00 0.00 O ATOM 293 CB GLU A 21 -1.444 -15.532 1.218 1.00 0.00 C ATOM 294 CG GLU A 21 -1.964 -16.419 2.336 1.00 0.00 C ATOM 295 CD GLU A 21 -1.093 -17.638 2.568 1.00 0.00 C ATOM 296 OE1 GLU A 21 -0.887 -18.410 1.608 1.00 0.00 O ATOM 297 OE2 GLU A 21 -0.617 -17.820 3.708 1.00 0.00 O ATOM 0 H GLU A 21 -2.404 -13.495 2.331 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.077 -14.079 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.999 -16.159 0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.649 -14.897 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.023 -15.839 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.977 -16.742 2.097 1.00 0.00 H new ATOM 304 N GLY A 22 -3.561 -15.802 -1.279 1.00 0.00 N ATOM 305 CA GLY A 22 -4.572 -16.622 -1.921 1.00 0.00 C ATOM 306 C GLY A 22 -5.083 -16.008 -3.210 1.00 0.00 C ATOM 307 O GLY A 22 -5.385 -14.817 -3.260 1.00 0.00 O ATOM 0 H GLY A 22 -2.816 -15.478 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.157 -17.608 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.407 -16.768 -1.235 1.00 0.00 H new ATOM 311 N GLU A 23 -5.177 -16.824 -4.255 1.00 0.00 N ATOM 312 CA GLU A 23 -5.651 -16.353 -5.551 1.00 0.00 C ATOM 313 C GLU A 23 -4.712 -15.295 -6.123 1.00 0.00 C ATOM 314 O GLU A 23 -5.152 -14.343 -6.768 1.00 0.00 O ATOM 315 CB GLU A 23 -7.065 -15.782 -5.424 1.00 0.00 C ATOM 316 CG GLU A 23 -8.119 -16.830 -5.110 1.00 0.00 C ATOM 317 CD GLU A 23 -9.499 -16.435 -5.600 1.00 0.00 C ATOM 318 OE1 GLU A 23 -9.918 -15.290 -5.332 1.00 0.00 O ATOM 319 OE2 GLU A 23 -10.159 -17.271 -6.251 1.00 0.00 O ATOM 0 H GLU A 23 -4.931 -17.814 -4.230 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.670 -17.203 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.073 -15.025 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.330 -15.280 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.832 -17.777 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.153 -16.994 -4.033 1.00 0.00 H new ATOM 326 N ASP A 24 -3.418 -15.467 -5.879 1.00 0.00 N ATOM 327 CA ASP A 24 -2.416 -14.528 -6.369 1.00 0.00 C ATOM 328 C ASP A 24 -2.919 -13.092 -6.263 1.00 0.00 C ATOM 329 O ASP A 24 -2.487 -12.214 -7.011 1.00 0.00 O ATOM 330 CB ASP A 24 -2.052 -14.848 -7.820 1.00 0.00 C ATOM 331 CG ASP A 24 -0.900 -14.004 -8.328 1.00 0.00 C ATOM 332 OD1 ASP A 24 0.184 -14.045 -7.709 1.00 0.00 O ATOM 333 OD2 ASP A 24 -1.082 -13.303 -9.345 1.00 0.00 O ATOM 0 H ASP A 24 -3.038 -16.248 -5.345 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.526 -14.629 -5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.789 -15.903 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.924 -14.687 -8.454 1.00 0.00 H new ATOM 338 N LEU A 25 -3.836 -12.859 -5.331 1.00 0.00 N ATOM 339 CA LEU A 25 -4.400 -11.530 -5.127 1.00 0.00 C ATOM 340 C LEU A 25 -4.514 -10.778 -6.449 1.00 0.00 C ATOM 341 O LEU A 25 -4.227 -9.583 -6.522 1.00 0.00 O ATOM 342 CB LEU A 25 -3.538 -10.733 -4.146 1.00 0.00 C ATOM 343 CG LEU A 25 -3.165 -11.447 -2.847 1.00 0.00 C ATOM 344 CD1 LEU A 25 -2.361 -10.526 -1.943 1.00 0.00 C ATOM 345 CD2 LEU A 25 -4.414 -11.941 -2.132 1.00 0.00 C ATOM 0 H LEU A 25 -4.205 -13.574 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.400 -11.647 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.619 -10.443 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.066 -9.814 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.547 -12.310 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.105 -11.052 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.447 -10.222 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.954 -9.643 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.129 -12.447 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.058 -11.094 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.951 -12.637 -2.776 1.00 0.00 H new ATOM 357 N SER A 26 -4.936 -11.485 -7.492 1.00 0.00 N ATOM 358 CA SER A 26 -5.086 -10.885 -8.813 1.00 0.00 C ATOM 359 C SER A 26 -6.262 -9.914 -8.837 1.00 0.00 C ATOM 360 O SER A 26 -6.195 -8.855 -9.462 1.00 0.00 O ATOM 361 CB SER A 26 -5.285 -11.973 -9.870 1.00 0.00 C ATOM 362 OG SER A 26 -6.499 -12.673 -9.659 1.00 0.00 O ATOM 0 H SER A 26 -5.180 -12.474 -7.448 1.00 0.00 H new ATOM 0 HA SER A 26 -4.175 -10.331 -9.040 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.289 -11.523 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.449 -12.671 -9.839 1.00 0.00 H new ATOM 0 HG SER A 26 -6.604 -13.362 -10.348 1.00 0.00 H new ATOM 368 N LYS A 27 -7.340 -10.283 -8.153 1.00 0.00 N ATOM 369 CA LYS A 27 -8.532 -9.445 -8.094 1.00 0.00 C ATOM 370 C LYS A 27 -8.497 -8.534 -6.871 1.00 0.00 C ATOM 371 O LYS A 27 -9.536 -8.207 -6.297 1.00 0.00 O ATOM 372 CB LYS A 27 -9.790 -10.316 -8.058 1.00 0.00 C ATOM 373 CG LYS A 27 -10.190 -10.864 -9.417 1.00 0.00 C ATOM 374 CD LYS A 27 -11.450 -11.708 -9.329 1.00 0.00 C ATOM 375 CE LYS A 27 -12.140 -11.822 -10.680 1.00 0.00 C ATOM 376 NZ LYS A 27 -12.680 -10.513 -11.139 1.00 0.00 N ATOM 0 H LYS A 27 -7.413 -11.157 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.553 -8.822 -8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.626 -11.149 -7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.616 -9.730 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.352 -10.038 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.376 -11.465 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.198 -12.703 -8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.135 -11.266 -8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.433 -12.202 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.952 -12.546 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.459 -10.674 -11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.033 -9.977 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.926 -9.972 -11.608 1.00 0.00 H new ATOM 390 N LYS A 28 -7.295 -8.126 -6.478 1.00 0.00 N ATOM 391 CA LYS A 28 -7.123 -7.249 -5.325 1.00 0.00 C ATOM 392 C LYS A 28 -6.475 -5.931 -5.736 1.00 0.00 C ATOM 393 O LYS A 28 -6.849 -4.866 -5.247 1.00 0.00 O ATOM 394 CB LYS A 28 -6.271 -7.939 -4.257 1.00 0.00 C ATOM 395 CG LYS A 28 -6.885 -9.222 -3.725 1.00 0.00 C ATOM 396 CD LYS A 28 -7.778 -8.958 -2.524 1.00 0.00 C ATOM 397 CE LYS A 28 -8.470 -10.228 -2.054 1.00 0.00 C ATOM 398 NZ LYS A 28 -9.559 -10.642 -2.981 1.00 0.00 N ATOM 0 H LYS A 28 -6.425 -8.389 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.109 -7.035 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.289 -8.162 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.115 -7.250 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.466 -9.702 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.093 -9.916 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.182 -8.545 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.526 -8.209 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.738 -11.031 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.882 -10.069 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.072 -11.451 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.217 -9.849 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.150 -10.916 -3.897 1.00 0.00 H new ATOM 412 N ASN A 29 -5.501 -6.011 -6.637 1.00 0.00 N ATOM 413 CA ASN A 29 -4.801 -4.824 -7.113 1.00 0.00 C ATOM 414 C ASN A 29 -5.771 -3.849 -7.773 1.00 0.00 C ATOM 415 O ASN A 29 -6.775 -4.240 -8.369 1.00 0.00 O ATOM 416 CB ASN A 29 -3.703 -5.217 -8.104 1.00 0.00 C ATOM 417 CG ASN A 29 -4.204 -6.166 -9.176 1.00 0.00 C ATOM 418 OD1 ASN A 29 -5.353 -6.079 -9.609 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.341 -7.078 -9.608 1.00 0.00 N ATOM 0 H ASN A 29 -5.179 -6.885 -7.052 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.346 -4.331 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.304 -4.319 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.880 -5.685 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.621 -7.744 -10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.398 -7.112 -9.220 1.00 0.00 H new ATOM 426 N PRO A 30 -5.466 -2.547 -7.666 1.00 0.00 N ATOM 427 CA PRO A 30 -4.274 -2.069 -6.959 1.00 0.00 C ATOM 428 C PRO A 30 -4.375 -2.270 -5.451 1.00 0.00 C ATOM 429 O PRO A 30 -5.438 -2.077 -4.860 1.00 0.00 O ATOM 430 CB PRO A 30 -4.235 -0.577 -7.299 1.00 0.00 C ATOM 431 CG PRO A 30 -5.650 -0.220 -7.599 1.00 0.00 C ATOM 432 CD PRO A 30 -6.261 -1.442 -8.227 1.00 0.00 C ATOM 0 HA PRO A 30 -3.377 -2.612 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.847 0.009 -6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.588 -0.383 -8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.183 0.060 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.702 0.634 -8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.317 -1.538 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.195 -1.411 -9.315 1.00 0.00 H new ATOM 440 N ILE A 31 -3.264 -2.657 -4.835 1.00 0.00 N ATOM 441 CA ILE A 31 -3.228 -2.882 -3.395 1.00 0.00 C ATOM 442 C ILE A 31 -2.873 -1.601 -2.647 1.00 0.00 C ATOM 443 O ILE A 31 -3.468 -1.287 -1.617 1.00 0.00 O ATOM 444 CB ILE A 31 -2.214 -3.979 -3.022 1.00 0.00 C ATOM 445 CG1 ILE A 31 -0.833 -3.641 -3.587 1.00 0.00 C ATOM 446 CG2 ILE A 31 -2.685 -5.332 -3.533 1.00 0.00 C ATOM 447 CD1 ILE A 31 0.245 -4.618 -3.172 1.00 0.00 C ATOM 0 H ILE A 31 -2.377 -2.821 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.226 -3.206 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.139 -4.029 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.891 -3.617 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.551 -2.640 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.957 -6.097 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.650 -5.574 -3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.786 -5.296 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.197 -4.316 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.330 -4.626 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.015 -5.617 -3.522 1.00 0.00 H new ATOM 459 N ALA A 32 -1.900 -0.865 -3.174 1.00 0.00 N ATOM 460 CA ALA A 32 -1.468 0.383 -2.559 1.00 0.00 C ATOM 461 C ALA A 32 -1.817 1.579 -3.439 1.00 0.00 C ATOM 462 O ALA A 32 -1.731 1.507 -4.665 1.00 0.00 O ATOM 463 CB ALA A 32 0.028 0.347 -2.285 1.00 0.00 C ATOM 0 H ALA A 32 -1.396 -1.112 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.997 0.494 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.336 1.286 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.255 -0.479 -1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.566 0.208 -3.222 1.00 0.00 H new ATOM 469 N LYS A 33 -2.213 2.678 -2.806 1.00 0.00 N ATOM 470 CA LYS A 33 -2.575 3.890 -3.531 1.00 0.00 C ATOM 471 C LYS A 33 -2.227 5.134 -2.719 1.00 0.00 C ATOM 472 O LYS A 33 -2.678 5.292 -1.585 1.00 0.00 O ATOM 473 CB LYS A 33 -4.070 3.885 -3.860 1.00 0.00 C ATOM 474 CG LYS A 33 -4.410 3.129 -5.133 1.00 0.00 C ATOM 475 CD LYS A 33 -4.064 3.939 -6.371 1.00 0.00 C ATOM 476 CE LYS A 33 -4.434 3.195 -7.645 1.00 0.00 C ATOM 477 NZ LYS A 33 -5.908 3.132 -7.844 1.00 0.00 N ATOM 0 H LYS A 33 -2.291 2.754 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.005 3.912 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.615 3.441 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.416 4.914 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.867 2.184 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.473 2.887 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.589 4.894 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.997 4.161 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.973 3.689 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.030 2.184 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.115 2.902 -8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.310 2.398 -7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.330 4.053 -7.607 1.00 0.00 H new ATOM 491 N ILE A 34 -1.424 6.014 -3.309 1.00 0.00 N ATOM 492 CA ILE A 34 -1.019 7.244 -2.640 1.00 0.00 C ATOM 493 C ILE A 34 -1.149 8.444 -3.572 1.00 0.00 C ATOM 494 O ILE A 34 -0.845 8.356 -4.762 1.00 0.00 O ATOM 495 CB ILE A 34 0.433 7.157 -2.134 1.00 0.00 C ATOM 496 CG1 ILE A 34 1.302 6.397 -3.137 1.00 0.00 C ATOM 497 CG2 ILE A 34 0.478 6.485 -0.770 1.00 0.00 C ATOM 498 CD1 ILE A 34 2.767 6.357 -2.761 1.00 0.00 C ATOM 0 H ILE A 34 -1.042 5.898 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.685 7.374 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 34 0.828 8.168 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.931 5.376 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.200 6.861 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.511 6.431 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.112 7.064 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.068 5.478 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.322 5.802 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.155 7.374 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.881 5.866 -1.794 1.00 0.00 H new ATOM 510 N HIS A 35 -1.601 9.567 -3.023 1.00 0.00 N ATOM 511 CA HIS A 35 -1.770 10.787 -3.804 1.00 0.00 C ATOM 512 C HIS A 35 -1.170 11.986 -3.076 1.00 0.00 C ATOM 513 O HIS A 35 -1.259 12.089 -1.853 1.00 0.00 O ATOM 514 CB HIS A 35 -3.251 11.036 -4.087 1.00 0.00 C ATOM 515 CG HIS A 35 -3.934 11.848 -3.030 1.00 0.00 C ATOM 516 ND1 HIS A 35 -3.777 13.213 -2.910 1.00 0.00 N ATOM 517 CD2 HIS A 35 -4.783 11.481 -2.041 1.00 0.00 C ATOM 518 CE1 HIS A 35 -4.498 13.650 -1.893 1.00 0.00 C ATOM 519 NE2 HIS A 35 -5.118 12.618 -1.349 1.00 0.00 N ATOM 0 H HIS A 35 -1.857 9.657 -2.040 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.244 10.659 -4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.349 11.546 -5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.760 10.077 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.132 10.480 -1.835 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.569 14.676 -1.563 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.744 12.659 -0.545 1.00 0.00 H new ATOM 528 N SER A 36 -0.557 12.888 -3.836 1.00 0.00 N ATOM 529 CA SER A 36 0.061 14.077 -3.262 1.00 0.00 C ATOM 530 C SER A 36 -0.786 15.316 -3.536 1.00 0.00 C ATOM 531 O SER A 36 -1.569 15.349 -4.486 1.00 0.00 O ATOM 532 CB SER A 36 1.468 14.271 -3.831 1.00 0.00 C ATOM 533 OG SER A 36 1.428 14.467 -5.234 1.00 0.00 O ATOM 0 H SER A 36 -0.475 12.818 -4.850 1.00 0.00 H new ATOM 0 HA SER A 36 0.129 13.936 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.941 15.129 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.081 13.400 -3.600 1.00 0.00 H new ATOM 0 HG SER A 36 1.944 13.762 -5.678 1.00 0.00 H new ATOM 539 N ASP A 37 -0.623 16.333 -2.697 1.00 0.00 N ATOM 540 CA ASP A 37 -1.371 17.576 -2.848 1.00 0.00 C ATOM 541 C ASP A 37 -0.668 18.519 -3.820 1.00 0.00 C ATOM 542 O ASP A 37 -1.291 19.066 -4.731 1.00 0.00 O ATOM 543 CB ASP A 37 -1.545 18.260 -1.491 1.00 0.00 C ATOM 544 CG ASP A 37 -2.372 17.432 -0.527 1.00 0.00 C ATOM 545 OD1 ASP A 37 -1.875 16.382 -0.068 1.00 0.00 O ATOM 546 OD2 ASP A 37 -3.516 17.834 -0.232 1.00 0.00 O ATOM 0 H ASP A 37 0.020 16.321 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.354 17.333 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.564 18.449 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.022 19.229 -1.635 1.00 0.00 H new ATOM 551 N LEU A 38 0.632 18.705 -3.620 1.00 0.00 N ATOM 552 CA LEU A 38 1.420 19.583 -4.478 1.00 0.00 C ATOM 553 C LEU A 38 1.196 19.250 -5.950 1.00 0.00 C ATOM 554 O LEU A 38 1.263 20.126 -6.812 1.00 0.00 O ATOM 555 CB LEU A 38 2.906 19.463 -4.136 1.00 0.00 C ATOM 556 CG LEU A 38 3.359 20.164 -2.855 1.00 0.00 C ATOM 557 CD1 LEU A 38 4.751 19.700 -2.457 1.00 0.00 C ATOM 558 CD2 LEU A 38 3.329 21.675 -3.034 1.00 0.00 C ATOM 0 H LEU A 38 1.163 18.260 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 38 1.095 20.609 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.155 18.405 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.483 19.864 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 38 2.667 19.900 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.057 20.209 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.741 18.624 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.455 19.934 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.654 22.157 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.997 21.958 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.314 21.993 -3.271 1.00 0.00 H new ATOM 570 N ALA A 39 0.928 17.979 -6.229 1.00 0.00 N ATOM 571 CA ALA A 39 0.689 17.531 -7.596 1.00 0.00 C ATOM 572 C ALA A 39 -0.281 18.460 -8.317 1.00 0.00 C ATOM 573 O ALA A 39 -0.077 18.804 -9.481 1.00 0.00 O ATOM 574 CB ALA A 39 0.159 16.105 -7.599 1.00 0.00 C ATOM 0 H ALA A 39 0.871 17.241 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 39 1.638 17.555 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.015 15.784 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.889 15.445 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.777 16.064 -7.042 1.00 0.00 H new ATOM 580 N GLU A 40 -1.338 18.863 -7.617 1.00 0.00 N ATOM 581 CA GLU A 40 -2.341 19.752 -8.193 1.00 0.00 C ATOM 582 C GLU A 40 -1.991 21.213 -7.925 1.00 0.00 C ATOM 583 O GLU A 40 -1.873 22.013 -8.853 1.00 0.00 O ATOM 584 CB GLU A 40 -3.724 19.434 -7.621 1.00 0.00 C ATOM 585 CG GLU A 40 -4.402 18.251 -8.291 1.00 0.00 C ATOM 586 CD GLU A 40 -3.848 16.919 -7.824 1.00 0.00 C ATOM 587 OE1 GLU A 40 -3.972 16.616 -6.619 1.00 0.00 O ATOM 588 OE2 GLU A 40 -3.290 16.181 -8.662 1.00 0.00 O ATOM 0 H GLU A 40 -1.521 18.588 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.356 19.592 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.629 19.231 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.361 20.313 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.472 18.287 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.281 18.332 -9.371 1.00 0.00 H new ATOM 595 N GLU A 41 -1.827 21.552 -6.650 1.00 0.00 N ATOM 596 CA GLU A 41 -1.493 22.917 -6.261 1.00 0.00 C ATOM 597 C GLU A 41 -0.527 23.547 -7.260 1.00 0.00 C ATOM 598 O GLU A 41 -0.749 24.660 -7.738 1.00 0.00 O ATOM 599 CB GLU A 41 -0.878 22.935 -4.860 1.00 0.00 C ATOM 600 CG GLU A 41 -1.896 22.758 -3.746 1.00 0.00 C ATOM 601 CD GLU A 41 -1.301 22.115 -2.508 1.00 0.00 C ATOM 602 OE1 GLU A 41 -0.954 20.917 -2.570 1.00 0.00 O ATOM 603 OE2 GLU A 41 -1.181 22.811 -1.478 1.00 0.00 O ATOM 0 H GLU A 41 -1.920 20.901 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.413 23.501 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.133 22.142 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.353 23.879 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.312 23.730 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.722 22.145 -4.108 1.00 0.00 H new ATOM 610 N ARG A 42 0.546 22.826 -7.572 1.00 0.00 N ATOM 611 CA ARG A 42 1.547 23.315 -8.512 1.00 0.00 C ATOM 612 C ARG A 42 1.301 22.752 -9.909 1.00 0.00 C ATOM 613 O ARG A 42 1.136 23.501 -10.871 1.00 0.00 O ATOM 614 CB ARG A 42 2.951 22.935 -8.039 1.00 0.00 C ATOM 615 CG ARG A 42 3.468 23.805 -6.905 1.00 0.00 C ATOM 616 CD ARG A 42 3.976 25.144 -7.417 1.00 0.00 C ATOM 617 NE ARG A 42 5.307 25.034 -8.008 1.00 0.00 N ATOM 618 CZ ARG A 42 5.795 25.903 -8.887 1.00 0.00 C ATOM 619 NH1 ARG A 42 5.066 26.940 -9.274 1.00 0.00 N ATOM 620 NH2 ARG A 42 7.016 25.735 -9.379 1.00 0.00 N ATOM 0 H ARG A 42 0.744 21.902 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 42 1.467 24.401 -8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.947 21.894 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.640 23.003 -8.881 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.671 23.970 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.272 23.285 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.281 25.536 -8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.002 25.860 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 42 5.894 24.247 -7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.128 27.073 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.443 27.605 -9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.580 24.939 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.390 26.402 -10.054 1.00 0.00 H new ATOM 634 N GLY A 43 1.277 21.427 -10.013 1.00 0.00 N ATOM 635 CA GLY A 43 1.051 20.787 -11.295 1.00 0.00 C ATOM 636 C GLY A 43 2.233 19.949 -11.741 1.00 0.00 C ATOM 637 O GLY A 43 2.630 19.992 -12.907 1.00 0.00 O ATOM 0 H GLY A 43 1.410 20.785 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.165 20.155 -11.231 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.845 21.549 -12.047 1.00 0.00 H new ATOM 641 N LEU A 44 2.799 19.185 -10.813 1.00 0.00 N ATOM 642 CA LEU A 44 3.944 18.334 -11.116 1.00 0.00 C ATOM 643 C LEU A 44 3.523 16.872 -11.224 1.00 0.00 C ATOM 644 O LEU A 44 2.492 16.470 -10.684 1.00 0.00 O ATOM 645 CB LEU A 44 5.019 18.489 -10.039 1.00 0.00 C ATOM 646 CG LEU A 44 5.478 19.919 -9.750 1.00 0.00 C ATOM 647 CD1 LEU A 44 5.937 20.050 -8.306 1.00 0.00 C ATOM 648 CD2 LEU A 44 6.592 20.325 -10.704 1.00 0.00 C ATOM 0 H LEU A 44 2.483 19.138 -9.844 1.00 0.00 H new ATOM 0 HA LEU A 44 4.353 18.647 -12.077 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.642 18.055 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.889 17.902 -10.335 1.00 0.00 H new ATOM 0 HG LEU A 44 4.633 20.590 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.260 21.074 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.112 19.802 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.768 19.368 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.906 21.345 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.439 19.650 -10.582 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.230 20.271 -11.731 1.00 0.00 H new ATOM 660 N LYS A 45 4.328 16.079 -11.923 1.00 0.00 N ATOM 661 CA LYS A 45 4.042 14.660 -12.099 1.00 0.00 C ATOM 662 C LYS A 45 4.845 13.817 -11.113 1.00 0.00 C ATOM 663 O LYS A 45 5.550 12.888 -11.507 1.00 0.00 O ATOM 664 CB LYS A 45 4.361 14.229 -13.532 1.00 0.00 C ATOM 665 CG LYS A 45 5.809 14.456 -13.928 1.00 0.00 C ATOM 666 CD LYS A 45 5.943 14.744 -15.414 1.00 0.00 C ATOM 667 CE LYS A 45 7.282 14.269 -15.956 1.00 0.00 C ATOM 668 NZ LYS A 45 7.233 14.029 -17.425 1.00 0.00 N ATOM 0 H LYS A 45 5.185 16.395 -12.377 1.00 0.00 H new ATOM 0 HA LYS A 45 2.981 14.502 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.124 13.171 -13.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.715 14.776 -14.219 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.217 15.290 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.399 13.576 -13.673 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.135 14.252 -15.955 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.838 15.815 -15.589 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.048 15.013 -15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.574 13.350 -15.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.165 13.707 -17.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.520 13.301 -17.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.979 14.912 -17.913 1.00 0.00 H new ATOM 682 N ILE A 46 4.731 14.146 -9.830 1.00 0.00 N ATOM 683 CA ILE A 46 5.444 13.417 -8.789 1.00 0.00 C ATOM 684 C ILE A 46 5.546 11.934 -9.128 1.00 0.00 C ATOM 685 O ILE A 46 4.609 11.342 -9.665 1.00 0.00 O ATOM 686 CB ILE A 46 4.756 13.574 -7.420 1.00 0.00 C ATOM 687 CG1 ILE A 46 4.664 15.052 -7.037 1.00 0.00 C ATOM 688 CG2 ILE A 46 5.510 12.792 -6.355 1.00 0.00 C ATOM 689 CD1 ILE A 46 3.403 15.727 -7.532 1.00 0.00 C ATOM 0 H ILE A 46 4.152 14.912 -9.487 1.00 0.00 H new ATOM 0 HA ILE A 46 6.445 13.844 -8.734 1.00 0.00 H new ATOM 0 HB ILE A 46 3.745 13.173 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.712 15.142 -5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.530 15.578 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.011 12.913 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.528 11.736 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.531 13.166 -6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.405 16.773 -7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.362 15.669 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.532 15.226 -7.109 1.00 0.00 H new ATOM 701 N THR A 47 6.690 11.336 -8.808 1.00 0.00 N ATOM 702 CA THR A 47 6.914 9.922 -9.078 1.00 0.00 C ATOM 703 C THR A 47 6.885 9.106 -7.791 1.00 0.00 C ATOM 704 O THR A 47 7.374 9.549 -6.751 1.00 0.00 O ATOM 705 CB THR A 47 8.262 9.692 -9.787 1.00 0.00 C ATOM 706 OG1 THR A 47 8.293 10.412 -11.025 1.00 0.00 O ATOM 707 CG2 THR A 47 8.490 8.211 -10.050 1.00 0.00 C ATOM 0 H THR A 47 7.475 11.810 -8.362 1.00 0.00 H new ATOM 0 HA THR A 47 6.107 9.593 -9.733 1.00 0.00 H new ATOM 0 HB THR A 47 9.057 10.055 -9.135 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.154 10.262 -11.469 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.448 8.074 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.495 7.670 -9.104 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.691 7.827 -10.684 1.00 0.00 H new ATOM 715 N TYR A 48 6.309 7.911 -7.866 1.00 0.00 N ATOM 716 CA TYR A 48 6.215 7.033 -6.706 1.00 0.00 C ATOM 717 C TYR A 48 7.272 5.935 -6.766 1.00 0.00 C ATOM 718 O TYR A 48 7.506 5.338 -7.817 1.00 0.00 O ATOM 719 CB TYR A 48 4.820 6.410 -6.624 1.00 0.00 C ATOM 720 CG TYR A 48 3.699 7.417 -6.738 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.528 8.408 -5.779 1.00 0.00 C ATOM 722 CD2 TYR A 48 2.809 7.378 -7.805 1.00 0.00 C ATOM 723 CE1 TYR A 48 2.505 9.331 -5.879 1.00 0.00 C ATOM 724 CE2 TYR A 48 1.784 8.297 -7.914 1.00 0.00 C ATOM 725 CZ TYR A 48 1.636 9.271 -6.949 1.00 0.00 C ATOM 726 OH TYR A 48 0.615 10.188 -7.053 1.00 0.00 O ATOM 0 H TYR A 48 5.900 7.528 -8.718 1.00 0.00 H new ATOM 0 HA TYR A 48 6.391 7.633 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.715 5.670 -7.418 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.724 5.878 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.207 8.458 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.921 6.616 -8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.386 10.095 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.102 8.253 -8.750 1.00 0.00 H new ATOM 0 HH TYR A 48 0.095 10.008 -7.864 1.00 0.00 H new ATOM 736 N LYS A 49 7.909 5.674 -5.630 1.00 0.00 N ATOM 737 CA LYS A 49 8.941 4.647 -5.549 1.00 0.00 C ATOM 738 C LYS A 49 8.747 3.776 -4.312 1.00 0.00 C ATOM 739 O LYS A 49 8.343 4.263 -3.256 1.00 0.00 O ATOM 740 CB LYS A 49 10.329 5.290 -5.521 1.00 0.00 C ATOM 741 CG LYS A 49 11.463 4.299 -5.718 1.00 0.00 C ATOM 742 CD LYS A 49 12.815 4.937 -5.444 1.00 0.00 C ATOM 743 CE LYS A 49 13.895 3.887 -5.233 1.00 0.00 C ATOM 744 NZ LYS A 49 14.964 4.367 -4.315 1.00 0.00 N ATOM 0 H LYS A 49 7.729 6.160 -4.752 1.00 0.00 H new ATOM 0 HA LYS A 49 8.858 4.015 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.383 6.051 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.465 5.800 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.321 3.446 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.440 3.917 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.090 5.581 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.746 5.572 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.446 2.981 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.335 3.620 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.681 3.623 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.410 5.217 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.549 4.598 -3.390 1.00 0.00 H new ATOM 758 N TYR A 50 9.040 2.488 -4.449 1.00 0.00 N ATOM 759 CA TYR A 50 8.897 1.550 -3.342 1.00 0.00 C ATOM 760 C TYR A 50 10.139 0.674 -3.205 1.00 0.00 C ATOM 761 O TYR A 50 10.679 0.182 -4.196 1.00 0.00 O ATOM 762 CB TYR A 50 7.661 0.672 -3.546 1.00 0.00 C ATOM 763 CG TYR A 50 6.356 1.429 -3.438 1.00 0.00 C ATOM 764 CD1 TYR A 50 5.729 1.602 -2.211 1.00 0.00 C ATOM 765 CD2 TYR A 50 5.751 1.972 -4.565 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.537 2.293 -2.109 1.00 0.00 C ATOM 767 CE2 TYR A 50 4.560 2.665 -4.472 1.00 0.00 C ATOM 768 CZ TYR A 50 3.956 2.822 -3.242 1.00 0.00 C ATOM 769 OH TYR A 50 2.769 3.512 -3.144 1.00 0.00 O ATOM 0 H TYR A 50 9.378 2.069 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 50 8.778 2.127 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.718 0.201 -4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.669 -0.129 -2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.181 1.189 -1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.220 1.850 -5.530 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.063 2.418 -1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.104 3.082 -5.358 1.00 0.00 H new ATOM 0 HH TYR A 50 2.495 3.820 -4.033 1.00 0.00 H new ATOM 779 N THR A 51 10.587 0.483 -1.968 1.00 0.00 N ATOM 780 CA THR A 51 11.765 -0.332 -1.700 1.00 0.00 C ATOM 781 C THR A 51 11.672 -0.999 -0.333 1.00 0.00 C ATOM 782 O THR A 51 11.422 -0.340 0.675 1.00 0.00 O ATOM 783 CB THR A 51 13.055 0.508 -1.761 1.00 0.00 C ATOM 784 OG1 THR A 51 13.033 1.516 -0.744 1.00 0.00 O ATOM 785 CG2 THR A 51 13.211 1.161 -3.126 1.00 0.00 C ATOM 0 H THR A 51 10.152 0.882 -1.136 1.00 0.00 H new ATOM 0 HA THR A 51 11.802 -1.098 -2.474 1.00 0.00 H new ATOM 0 HB THR A 51 13.903 -0.156 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.623 1.152 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.129 1.749 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.258 0.390 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.359 1.813 -3.317 1.00 0.00 H new ATOM 793 N GLY A 52 11.876 -2.313 -0.306 1.00 0.00 N ATOM 794 CA GLY A 52 11.811 -3.048 0.944 1.00 0.00 C ATOM 795 C GLY A 52 11.738 -4.547 0.732 1.00 0.00 C ATOM 796 O GLY A 52 12.060 -5.046 -0.347 1.00 0.00 O ATOM 0 H GLY A 52 12.085 -2.881 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.688 -2.812 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.938 -2.721 1.509 1.00 0.00 H new ATOM 800 N LYS A 53 11.316 -5.270 1.764 1.00 0.00 N ATOM 801 CA LYS A 53 11.202 -6.721 1.687 1.00 0.00 C ATOM 802 C LYS A 53 10.156 -7.131 0.655 1.00 0.00 C ATOM 803 O LYS A 53 8.997 -6.726 0.737 1.00 0.00 O ATOM 804 CB LYS A 53 10.836 -7.298 3.056 1.00 0.00 C ATOM 805 CG LYS A 53 10.826 -8.816 3.094 1.00 0.00 C ATOM 806 CD LYS A 53 10.097 -9.339 4.320 1.00 0.00 C ATOM 807 CE LYS A 53 10.953 -9.218 5.572 1.00 0.00 C ATOM 808 NZ LYS A 53 10.950 -7.831 6.114 1.00 0.00 N ATOM 0 H LYS A 53 11.047 -4.874 2.665 1.00 0.00 H new ATOM 0 HA LYS A 53 12.168 -7.120 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.545 -6.929 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.852 -6.929 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.347 -9.200 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.851 -9.188 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.169 -8.784 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.824 -10.383 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.583 -9.906 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.976 -9.516 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.856 -7.370 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.173 -7.291 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.819 -7.862 7.145 1.00 0.00 H new ATOM 822 N GLY A 54 10.573 -7.939 -0.315 1.00 0.00 N ATOM 823 CA GLY A 54 9.659 -8.391 -1.348 1.00 0.00 C ATOM 824 C GLY A 54 10.039 -7.880 -2.723 1.00 0.00 C ATOM 825 O GLY A 54 9.837 -8.566 -3.725 1.00 0.00 O ATOM 0 H GLY A 54 11.527 -8.289 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.641 -9.481 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.650 -8.058 -1.106 1.00 0.00 H new ATOM 829 N ILE A 55 10.589 -6.671 -2.772 1.00 0.00 N ATOM 830 CA ILE A 55 10.997 -6.069 -4.035 1.00 0.00 C ATOM 831 C ILE A 55 12.515 -6.082 -4.185 1.00 0.00 C ATOM 832 O ILE A 55 13.054 -6.696 -5.106 1.00 0.00 O ATOM 833 CB ILE A 55 10.493 -4.618 -4.155 1.00 0.00 C ATOM 834 CG1 ILE A 55 8.966 -4.577 -4.069 1.00 0.00 C ATOM 835 CG2 ILE A 55 10.972 -3.998 -5.459 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.409 -3.184 -3.878 1.00 0.00 C ATOM 0 H ILE A 55 10.762 -6.090 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 55 10.551 -6.667 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 55 10.901 -4.037 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.547 -5.005 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.640 -5.207 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.608 -2.973 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.062 -3.999 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.590 -4.577 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.321 -3.231 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.799 -2.760 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.705 -2.556 -4.718 1.00 0.00 H new ATOM 848 N THR A 56 13.200 -5.401 -3.272 1.00 0.00 N ATOM 849 CA THR A 56 14.656 -5.335 -3.301 1.00 0.00 C ATOM 850 C THR A 56 15.276 -6.624 -2.775 1.00 0.00 C ATOM 851 O THR A 56 16.101 -7.245 -3.445 1.00 0.00 O ATOM 852 CB THR A 56 15.181 -4.150 -2.470 1.00 0.00 C ATOM 853 OG1 THR A 56 14.750 -4.276 -1.110 1.00 0.00 O ATOM 854 CG2 THR A 56 14.691 -2.828 -3.042 1.00 0.00 C ATOM 0 H THR A 56 12.770 -4.887 -2.503 1.00 0.00 H new ATOM 0 HA THR A 56 14.945 -5.195 -4.343 1.00 0.00 H new ATOM 0 HB THR A 56 16.270 -4.163 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.778 -4.402 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.075 -2.006 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.045 -2.722 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.601 -2.808 -3.031 1.00 0.00 H new ATOM 862 N GLU A 57 14.873 -7.022 -1.573 1.00 0.00 N ATOM 863 CA GLU A 57 15.390 -8.239 -0.958 1.00 0.00 C ATOM 864 C GLU A 57 14.496 -9.433 -1.277 1.00 0.00 C ATOM 865 O GLU A 57 13.286 -9.301 -1.467 1.00 0.00 O ATOM 866 CB GLU A 57 15.503 -8.063 0.558 1.00 0.00 C ATOM 867 CG GLU A 57 16.694 -7.223 0.987 1.00 0.00 C ATOM 868 CD GLU A 57 16.687 -6.915 2.471 1.00 0.00 C ATOM 869 OE1 GLU A 57 15.593 -6.662 3.019 1.00 0.00 O ATOM 870 OE2 GLU A 57 17.774 -6.927 3.086 1.00 0.00 O ATOM 0 H GLU A 57 14.190 -6.520 -1.006 1.00 0.00 H new ATOM 0 HA GLU A 57 16.381 -8.430 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.589 -7.599 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.575 -9.045 1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.615 -7.749 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.696 -6.288 0.426 1.00 0.00 H new ATOM 877 N PRO A 58 15.103 -10.627 -1.340 1.00 0.00 N ATOM 878 CA PRO A 58 14.382 -11.868 -1.636 1.00 0.00 C ATOM 879 C PRO A 58 13.458 -12.288 -0.498 1.00 0.00 C ATOM 880 O PRO A 58 13.745 -12.069 0.679 1.00 0.00 O ATOM 881 CB PRO A 58 15.502 -12.894 -1.822 1.00 0.00 C ATOM 882 CG PRO A 58 16.644 -12.355 -1.033 1.00 0.00 C ATOM 883 CD PRO A 58 16.542 -10.858 -1.125 1.00 0.00 C ATOM 0 HA PRO A 58 13.732 -11.764 -2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.201 -13.878 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.765 -13.006 -2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.593 -12.686 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.595 -12.707 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.895 -10.374 -0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.140 -10.464 -1.947 1.00 0.00 H new ATOM 891 N PRO A 59 12.322 -12.906 -0.853 1.00 0.00 N ATOM 892 CA PRO A 59 11.970 -13.172 -2.251 1.00 0.00 C ATOM 893 C PRO A 59 11.630 -11.897 -3.016 1.00 0.00 C ATOM 894 O PRO A 59 10.810 -11.094 -2.571 1.00 0.00 O ATOM 895 CB PRO A 59 10.738 -14.074 -2.141 1.00 0.00 C ATOM 896 CG PRO A 59 10.140 -13.739 -0.818 1.00 0.00 C ATOM 897 CD PRO A 59 11.295 -13.393 0.082 1.00 0.00 C ATOM 0 HA PRO A 59 12.797 -13.621 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.035 -13.885 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.012 -15.127 -2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.447 -12.902 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.574 -14.582 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.022 -12.631 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.641 -14.261 0.643 1.00 0.00 H new ATOM 905 N PHE A 60 12.266 -11.717 -4.169 1.00 0.00 N ATOM 906 CA PHE A 60 12.031 -10.539 -4.996 1.00 0.00 C ATOM 907 C PHE A 60 11.000 -10.833 -6.082 1.00 0.00 C ATOM 908 O PHE A 60 11.009 -11.904 -6.687 1.00 0.00 O ATOM 909 CB PHE A 60 13.340 -10.068 -5.633 1.00 0.00 C ATOM 910 CG PHE A 60 14.311 -11.182 -5.900 1.00 0.00 C ATOM 911 CD1 PHE A 60 14.131 -12.031 -6.980 1.00 0.00 C ATOM 912 CD2 PHE A 60 15.404 -11.380 -5.072 1.00 0.00 C ATOM 913 CE1 PHE A 60 15.024 -13.057 -7.230 1.00 0.00 C ATOM 914 CE2 PHE A 60 16.299 -12.403 -5.316 1.00 0.00 C ATOM 915 CZ PHE A 60 16.109 -13.244 -6.396 1.00 0.00 C ATOM 0 H PHE A 60 12.948 -12.372 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 60 11.641 -9.748 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.116 -9.559 -6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 60 13.811 -9.335 -4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 60 13.283 -11.890 -7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.558 -10.727 -4.226 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.873 -13.711 -8.076 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.147 -12.546 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.807 -14.045 -6.587 1.00 0.00 H new ATOM 925 N GLY A 61 10.112 -9.874 -6.322 1.00 0.00 N ATOM 926 CA GLY A 61 9.086 -10.049 -7.334 1.00 0.00 C ATOM 927 C GLY A 61 7.686 -9.980 -6.758 1.00 0.00 C ATOM 928 O GLY A 61 6.706 -9.900 -7.499 1.00 0.00 O ATOM 0 H GLY A 61 10.084 -8.979 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.199 -9.280 -8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.226 -11.011 -7.826 1.00 0.00 H new ATOM 932 N ILE A 62 7.590 -10.014 -5.433 1.00 0.00 N ATOM 933 CA ILE A 62 6.299 -9.956 -4.759 1.00 0.00 C ATOM 934 C ILE A 62 5.428 -8.844 -5.334 1.00 0.00 C ATOM 935 O ILE A 62 4.268 -9.066 -5.683 1.00 0.00 O ATOM 936 CB ILE A 62 6.464 -9.731 -3.244 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.527 -10.676 -2.680 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.136 -9.932 -2.531 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.371 -12.107 -3.143 1.00 0.00 C ATOM 0 H ILE A 62 8.391 -10.081 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 62 5.813 -10.918 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 62 6.791 -8.705 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.514 -10.314 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.485 -10.648 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.269 -9.770 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.404 -9.222 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.781 -10.948 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.159 -12.719 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.399 -12.487 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.443 -12.148 -4.230 1.00 0.00 H new ATOM 951 N PHE A 63 5.996 -7.646 -5.433 1.00 0.00 N ATOM 952 CA PHE A 63 5.272 -6.499 -5.967 1.00 0.00 C ATOM 953 C PHE A 63 6.082 -5.804 -7.057 1.00 0.00 C ATOM 954 O PHE A 63 7.308 -5.717 -6.976 1.00 0.00 O ATOM 955 CB PHE A 63 4.946 -5.508 -4.848 1.00 0.00 C ATOM 956 CG PHE A 63 4.307 -6.147 -3.649 1.00 0.00 C ATOM 957 CD1 PHE A 63 2.970 -6.512 -3.672 1.00 0.00 C ATOM 958 CD2 PHE A 63 5.042 -6.384 -2.498 1.00 0.00 C ATOM 959 CE1 PHE A 63 2.379 -7.100 -2.569 1.00 0.00 C ATOM 960 CE2 PHE A 63 4.456 -6.971 -1.393 1.00 0.00 C ATOM 961 CZ PHE A 63 3.123 -7.331 -1.429 1.00 0.00 C ATOM 0 H PHE A 63 6.955 -7.445 -5.150 1.00 0.00 H new ATOM 0 HA PHE A 63 4.342 -6.861 -6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.864 -5.008 -4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.280 -4.738 -5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.383 -6.335 -4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.085 -6.107 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.336 -7.378 -2.599 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.040 -7.148 -0.502 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.664 -7.792 -0.567 1.00 0.00 H new ATOM 971 N VAL A 64 5.389 -5.310 -8.079 1.00 0.00 N ATOM 972 CA VAL A 64 6.043 -4.623 -9.185 1.00 0.00 C ATOM 973 C VAL A 64 5.583 -3.172 -9.279 1.00 0.00 C ATOM 974 O VAL A 64 4.385 -2.889 -9.303 1.00 0.00 O ATOM 975 CB VAL A 64 5.763 -5.326 -10.527 1.00 0.00 C ATOM 976 CG1 VAL A 64 6.287 -6.753 -10.501 1.00 0.00 C ATOM 977 CG2 VAL A 64 4.275 -5.301 -10.841 1.00 0.00 C ATOM 0 H VAL A 64 4.374 -5.373 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 64 7.114 -4.650 -8.985 1.00 0.00 H new ATOM 0 HB VAL A 64 6.286 -4.787 -11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.080 -7.234 -11.457 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.363 -6.742 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.794 -7.307 -9.702 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.095 -5.802 -11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.728 -5.815 -10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.934 -4.268 -10.905 1.00 0.00 H new ATOM 987 N PHE A 65 6.544 -2.255 -9.332 1.00 0.00 N ATOM 988 CA PHE A 65 6.238 -0.832 -9.422 1.00 0.00 C ATOM 989 C PHE A 65 7.051 -0.171 -10.532 1.00 0.00 C ATOM 990 O PHE A 65 8.232 -0.464 -10.709 1.00 0.00 O ATOM 991 CB PHE A 65 6.522 -0.142 -8.086 1.00 0.00 C ATOM 992 CG PHE A 65 7.927 0.375 -7.965 1.00 0.00 C ATOM 993 CD1 PHE A 65 8.311 1.537 -8.616 1.00 0.00 C ATOM 994 CD2 PHE A 65 8.865 -0.302 -7.202 1.00 0.00 C ATOM 995 CE1 PHE A 65 9.603 2.015 -8.506 1.00 0.00 C ATOM 996 CE2 PHE A 65 10.158 0.172 -7.088 1.00 0.00 C ATOM 997 CZ PHE A 65 10.528 1.331 -7.742 1.00 0.00 C ATOM 0 H PHE A 65 7.540 -2.472 -9.314 1.00 0.00 H new ATOM 0 HA PHE A 65 5.179 -0.727 -9.659 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.826 0.687 -7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.331 -0.845 -7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.592 2.075 -9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.582 -1.210 -6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.889 2.922 -9.017 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.879 -0.363 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.539 1.702 -7.656 1.00 0.00 H new ATOM 1007 N ASN A 66 6.407 0.723 -11.276 1.00 0.00 N ATOM 1008 CA ASN A 66 7.069 1.425 -12.370 1.00 0.00 C ATOM 1009 C ASN A 66 6.966 2.936 -12.186 1.00 0.00 C ATOM 1010 O ASN A 66 6.425 3.417 -11.190 1.00 0.00 O ATOM 1011 CB ASN A 66 6.453 1.020 -13.710 1.00 0.00 C ATOM 1012 CG ASN A 66 6.724 -0.432 -14.056 1.00 0.00 C ATOM 1013 OD1 ASN A 66 7.417 -0.730 -15.029 1.00 0.00 O ATOM 1014 ND2 ASN A 66 6.178 -1.342 -13.259 1.00 0.00 N ATOM 0 H ASN A 66 5.429 0.978 -11.141 1.00 0.00 H new ATOM 0 HA ASN A 66 8.123 1.146 -12.364 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.377 1.188 -13.677 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.852 1.659 -14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.326 -2.335 -13.442 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.611 -1.049 -12.464 1.00 0.00 H new ATOM 1021 N LYS A 67 7.489 3.681 -13.155 1.00 0.00 N ATOM 1022 CA LYS A 67 7.456 5.138 -13.103 1.00 0.00 C ATOM 1023 C LYS A 67 6.339 5.688 -13.984 1.00 0.00 C ATOM 1024 O LYS A 67 5.769 6.740 -13.695 1.00 0.00 O ATOM 1025 CB LYS A 67 8.802 5.715 -13.546 1.00 0.00 C ATOM 1026 CG LYS A 67 8.690 7.075 -14.215 1.00 0.00 C ATOM 1027 CD LYS A 67 9.931 7.918 -13.973 1.00 0.00 C ATOM 1028 CE LYS A 67 9.740 9.344 -14.469 1.00 0.00 C ATOM 1029 NZ LYS A 67 10.879 10.222 -14.082 1.00 0.00 N ATOM 0 H LYS A 67 7.941 3.299 -13.986 1.00 0.00 H new ATOM 0 HA LYS A 67 7.262 5.436 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.455 5.799 -12.678 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.277 5.018 -14.236 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.541 6.943 -15.287 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.813 7.598 -13.834 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.163 7.930 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.784 7.466 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.636 9.340 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.814 9.749 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.712 11.185 -14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.963 10.246 -13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.759 9.849 -14.492 1.00 0.00 H new ATOM 1043 N ASP A 68 6.032 4.970 -15.059 1.00 0.00 N ATOM 1044 CA ASP A 68 4.981 5.386 -15.981 1.00 0.00 C ATOM 1045 C ASP A 68 3.618 5.366 -15.296 1.00 0.00 C ATOM 1046 O ASP A 68 2.866 6.339 -15.357 1.00 0.00 O ATOM 1047 CB ASP A 68 4.962 4.475 -17.209 1.00 0.00 C ATOM 1048 CG ASP A 68 3.764 4.732 -18.103 1.00 0.00 C ATOM 1049 OD1 ASP A 68 2.627 4.466 -17.661 1.00 0.00 O ATOM 1050 OD2 ASP A 68 3.964 5.200 -19.244 1.00 0.00 O ATOM 0 H ASP A 68 6.496 4.098 -15.313 1.00 0.00 H new ATOM 0 HA ASP A 68 5.193 6.407 -16.299 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.877 4.623 -17.782 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.953 3.434 -16.885 1.00 0.00 H new ATOM 1055 N THR A 69 3.305 4.250 -14.645 1.00 0.00 N ATOM 1056 CA THR A 69 2.032 4.102 -13.951 1.00 0.00 C ATOM 1057 C THR A 69 2.141 4.555 -12.499 1.00 0.00 C ATOM 1058 O THR A 69 1.244 5.214 -11.975 1.00 0.00 O ATOM 1059 CB THR A 69 1.539 2.643 -13.987 1.00 0.00 C ATOM 1060 OG1 THR A 69 0.372 2.500 -13.168 1.00 0.00 O ATOM 1061 CG2 THR A 69 2.624 1.693 -13.503 1.00 0.00 C ATOM 0 H THR A 69 3.916 3.435 -14.584 1.00 0.00 H new ATOM 0 HA THR A 69 1.312 4.734 -14.472 1.00 0.00 H new ATOM 0 HB THR A 69 1.292 2.391 -15.018 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.070 3.369 -13.074 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.253 0.669 -13.537 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.500 1.783 -14.146 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.898 1.945 -12.479 1.00 0.00 H new ATOM 1069 N GLY A 70 3.247 4.196 -11.854 1.00 0.00 N ATOM 1070 CA GLY A 70 3.454 4.575 -10.469 1.00 0.00 C ATOM 1071 C GLY A 70 2.471 3.901 -9.531 1.00 0.00 C ATOM 1072 O GLY A 70 2.088 4.471 -8.510 1.00 0.00 O ATOM 0 H GLY A 70 4.003 3.649 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.470 4.316 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.360 5.657 -10.373 1.00 0.00 H new ATOM 1076 N GLU A 71 2.062 2.685 -9.879 1.00 0.00 N ATOM 1077 CA GLU A 71 1.116 1.935 -9.061 1.00 0.00 C ATOM 1078 C GLU A 71 1.777 0.696 -8.464 1.00 0.00 C ATOM 1079 O GLU A 71 2.753 0.176 -9.006 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.100 1.526 -9.895 1.00 0.00 C ATOM 1081 CG GLU A 71 -1.208 2.566 -9.905 1.00 0.00 C ATOM 1082 CD GLU A 71 -0.794 3.854 -10.590 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -0.197 4.719 -9.916 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -1.066 3.996 -11.801 1.00 0.00 O ATOM 0 H GLU A 71 2.371 2.199 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 71 0.788 2.580 -8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.220 1.338 -10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.497 0.588 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.082 2.155 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.506 2.784 -8.879 1.00 0.00 H new ATOM 1091 N LEU A 72 1.238 0.229 -7.343 1.00 0.00 N ATOM 1092 CA LEU A 72 1.775 -0.949 -6.669 1.00 0.00 C ATOM 1093 C LEU A 72 0.846 -2.146 -6.845 1.00 0.00 C ATOM 1094 O LEU A 72 -0.230 -2.201 -6.252 1.00 0.00 O ATOM 1095 CB LEU A 72 1.979 -0.661 -5.181 1.00 0.00 C ATOM 1096 CG LEU A 72 2.970 -1.568 -4.452 1.00 0.00 C ATOM 1097 CD1 LEU A 72 4.360 -1.434 -5.055 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.998 -1.242 -2.965 1.00 0.00 C ATOM 0 H LEU A 72 0.430 0.647 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 72 2.737 -1.189 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.314 0.371 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.013 -0.736 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 72 2.643 -2.601 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.052 -2.087 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.329 -1.718 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.696 -0.401 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.709 -1.898 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.300 -0.204 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.005 -1.391 -2.541 1.00 0.00 H new ATOM 1110 N ASN A 73 1.272 -3.104 -7.661 1.00 0.00 N ATOM 1111 CA ASN A 73 0.480 -4.302 -7.913 1.00 0.00 C ATOM 1112 C ASN A 73 1.238 -5.556 -7.488 1.00 0.00 C ATOM 1113 O ASN A 73 2.443 -5.671 -7.712 1.00 0.00 O ATOM 1114 CB ASN A 73 0.112 -4.393 -9.396 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.187 -5.815 -9.831 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -0.647 -6.635 -9.036 1.00 0.00 O ATOM 1117 ND2 ASN A 73 0.074 -6.113 -11.098 1.00 0.00 N ATOM 0 H ASN A 73 2.162 -3.074 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.433 -4.234 -7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.758 -3.766 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.931 -3.997 -9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.106 -7.054 -11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.455 -5.401 -11.721 1.00 0.00 H new ATOM 1124 N VAL A 74 0.524 -6.493 -6.873 1.00 0.00 N ATOM 1125 CA VAL A 74 1.128 -7.739 -6.418 1.00 0.00 C ATOM 1126 C VAL A 74 1.103 -8.796 -7.516 1.00 0.00 C ATOM 1127 O VAL A 74 0.075 -9.017 -8.157 1.00 0.00 O ATOM 1128 CB VAL A 74 0.408 -8.290 -5.173 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -1.044 -8.612 -5.494 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.129 -9.519 -4.641 1.00 0.00 C ATOM 0 H VAL A 74 -0.474 -6.413 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 74 2.163 -7.513 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 74 0.423 -7.524 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.536 -9.000 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.553 -7.707 -5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.084 -9.360 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.607 -9.895 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.147 -10.291 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.151 -9.253 -4.370 1.00 0.00 H new ATOM 1140 N THR A 75 2.241 -9.449 -7.729 1.00 0.00 N ATOM 1141 CA THR A 75 2.350 -10.483 -8.750 1.00 0.00 C ATOM 1142 C THR A 75 2.822 -11.802 -8.149 1.00 0.00 C ATOM 1143 O THR A 75 3.574 -12.547 -8.777 1.00 0.00 O ATOM 1144 CB THR A 75 3.321 -10.066 -9.870 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.604 -9.755 -9.316 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.786 -8.861 -10.630 1.00 0.00 C ATOM 0 H THR A 75 3.101 -9.280 -7.207 1.00 0.00 H new ATOM 0 HA THR A 75 1.354 -10.615 -9.173 1.00 0.00 H new ATOM 0 HB THR A 75 3.418 -10.900 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.216 -9.492 -10.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.489 -8.585 -11.416 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.823 -9.110 -11.076 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.662 -8.023 -9.943 1.00 0.00 H new ATOM 1154 N SER A 76 2.376 -12.084 -6.929 1.00 0.00 N ATOM 1155 CA SER A 76 2.756 -13.313 -6.242 1.00 0.00 C ATOM 1156 C SER A 76 1.842 -13.572 -5.048 1.00 0.00 C ATOM 1157 O SER A 76 1.237 -12.648 -4.503 1.00 0.00 O ATOM 1158 CB SER A 76 4.211 -13.233 -5.776 1.00 0.00 C ATOM 1159 OG SER A 76 4.751 -14.526 -5.564 1.00 0.00 O ATOM 0 H SER A 76 1.752 -11.479 -6.396 1.00 0.00 H new ATOM 0 HA SER A 76 2.652 -14.140 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.806 -12.705 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.269 -12.655 -4.853 1.00 0.00 H new ATOM 0 HG SER A 76 5.682 -14.447 -5.268 1.00 0.00 H new ATOM 1165 N ILE A 77 1.747 -14.836 -4.647 1.00 0.00 N ATOM 1166 CA ILE A 77 0.908 -15.217 -3.518 1.00 0.00 C ATOM 1167 C ILE A 77 1.664 -15.081 -2.201 1.00 0.00 C ATOM 1168 O ILE A 77 2.489 -15.928 -1.855 1.00 0.00 O ATOM 1169 CB ILE A 77 0.400 -16.665 -3.658 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.269 -16.864 -5.020 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.568 -16.997 -2.532 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -0.145 -18.274 -5.554 1.00 0.00 C ATOM 0 H ILE A 77 2.241 -15.613 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 77 0.054 -14.539 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 77 1.251 -17.342 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.325 -16.607 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.173 -16.172 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.918 -18.023 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.061 -16.889 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.419 -16.317 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.642 -18.342 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.909 -18.528 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.612 -18.969 -4.857 1.00 0.00 H new ATOM 1184 N LEU A 78 1.376 -14.011 -1.468 1.00 0.00 N ATOM 1185 CA LEU A 78 2.027 -13.764 -0.186 1.00 0.00 C ATOM 1186 C LEU A 78 2.246 -15.068 0.574 1.00 0.00 C ATOM 1187 O LEU A 78 1.322 -15.864 0.739 1.00 0.00 O ATOM 1188 CB LEU A 78 1.188 -12.803 0.658 1.00 0.00 C ATOM 1189 CG LEU A 78 0.943 -11.419 0.055 1.00 0.00 C ATOM 1190 CD1 LEU A 78 0.007 -10.610 0.940 1.00 0.00 C ATOM 1191 CD2 LEU A 78 2.260 -10.684 -0.145 1.00 0.00 C ATOM 0 H LEU A 78 0.696 -13.301 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 78 2.999 -13.312 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.222 -13.269 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.679 -12.675 1.623 1.00 0.00 H new ATOM 0 HG LEU A 78 0.470 -11.546 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.156 -9.628 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.947 -11.130 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.452 -10.492 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.067 -9.701 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.761 -10.568 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.897 -11.256 -0.820 1.00 0.00 H new ATOM 1203 N ASP A 79 3.474 -15.279 1.035 1.00 0.00 N ATOM 1204 CA ASP A 79 3.814 -16.485 1.781 1.00 0.00 C ATOM 1205 C ASP A 79 3.911 -16.191 3.275 1.00 0.00 C ATOM 1206 O ASP A 79 5.004 -16.010 3.812 1.00 0.00 O ATOM 1207 CB ASP A 79 5.136 -17.067 1.276 1.00 0.00 C ATOM 1208 CG ASP A 79 5.080 -17.441 -0.192 1.00 0.00 C ATOM 1209 OD1 ASP A 79 4.161 -18.193 -0.579 1.00 0.00 O ATOM 1210 OD2 ASP A 79 5.956 -16.981 -0.954 1.00 0.00 O ATOM 0 H ASP A 79 4.251 -14.631 0.905 1.00 0.00 H new ATOM 0 HA ASP A 79 3.021 -17.216 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.933 -16.340 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.389 -17.950 1.863 1.00 0.00 H new ATOM 1215 N ARG A 80 2.761 -16.143 3.939 1.00 0.00 N ATOM 1216 CA ARG A 80 2.716 -15.869 5.370 1.00 0.00 C ATOM 1217 C ARG A 80 3.731 -16.726 6.120 1.00 0.00 C ATOM 1218 O ARG A 80 4.473 -16.228 6.966 1.00 0.00 O ATOM 1219 CB ARG A 80 1.311 -16.127 5.917 1.00 0.00 C ATOM 1220 CG ARG A 80 1.111 -15.637 7.341 1.00 0.00 C ATOM 1221 CD ARG A 80 -0.225 -16.092 7.906 1.00 0.00 C ATOM 1222 NE ARG A 80 -0.145 -17.427 8.493 1.00 0.00 N ATOM 1223 CZ ARG A 80 0.490 -17.694 9.628 1.00 0.00 C ATOM 1224 NH1 ARG A 80 1.098 -16.723 10.296 1.00 0.00 N ATOM 1225 NH2 ARG A 80 0.519 -18.934 10.098 1.00 0.00 N ATOM 0 H ARG A 80 1.848 -16.290 3.509 1.00 0.00 H new ATOM 0 HA ARG A 80 2.970 -14.820 5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.583 -15.639 5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.106 -17.197 5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.919 -16.009 7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.164 -14.549 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.559 -15.383 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.974 -16.089 7.114 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.602 -18.197 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.079 -15.768 9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.585 -16.931 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.053 -19.684 9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.007 -19.138 10.970 1.00 0.00 H new ATOM 1239 N GLU A 81 3.755 -18.017 5.804 1.00 0.00 N ATOM 1240 CA GLU A 81 4.678 -18.944 6.450 1.00 0.00 C ATOM 1241 C GLU A 81 6.085 -18.356 6.511 1.00 0.00 C ATOM 1242 O GLU A 81 6.700 -18.300 7.575 1.00 0.00 O ATOM 1243 CB GLU A 81 4.703 -20.278 5.702 1.00 0.00 C ATOM 1244 CG GLU A 81 3.417 -21.077 5.839 1.00 0.00 C ATOM 1245 CD GLU A 81 3.559 -22.501 5.338 1.00 0.00 C ATOM 1246 OE1 GLU A 81 3.918 -22.682 4.156 1.00 0.00 O ATOM 1247 OE2 GLU A 81 3.311 -23.435 6.129 1.00 0.00 O ATOM 0 H GLU A 81 3.147 -18.445 5.106 1.00 0.00 H new ATOM 0 HA GLU A 81 4.329 -19.114 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.893 -20.089 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.534 -20.877 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.113 -21.093 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.623 -20.578 5.284 1.00 0.00 H new ATOM 1254 N GLU A 82 6.589 -17.921 5.360 1.00 0.00 N ATOM 1255 CA GLU A 82 7.923 -17.339 5.282 1.00 0.00 C ATOM 1256 C GLU A 82 7.900 -15.867 5.686 1.00 0.00 C ATOM 1257 O GLU A 82 8.540 -15.468 6.659 1.00 0.00 O ATOM 1258 CB GLU A 82 8.484 -17.481 3.866 1.00 0.00 C ATOM 1259 CG GLU A 82 9.762 -16.692 3.634 1.00 0.00 C ATOM 1260 CD GLU A 82 10.066 -16.493 2.162 1.00 0.00 C ATOM 1261 OE1 GLU A 82 10.648 -17.412 1.548 1.00 0.00 O ATOM 1262 OE2 GLU A 82 9.724 -15.419 1.625 1.00 0.00 O ATOM 0 H GLU A 82 6.093 -17.961 4.469 1.00 0.00 H new ATOM 0 HA GLU A 82 8.567 -17.879 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.676 -18.535 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.730 -17.152 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.677 -15.719 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.596 -17.211 4.106 1.00 0.00 H new ATOM 1269 N THR A 83 7.157 -15.064 4.931 1.00 0.00 N ATOM 1270 CA THR A 83 7.050 -13.637 5.207 1.00 0.00 C ATOM 1271 C THR A 83 5.717 -13.303 5.866 1.00 0.00 C ATOM 1272 O THR A 83 4.701 -13.101 5.199 1.00 0.00 O ATOM 1273 CB THR A 83 7.199 -12.803 3.921 1.00 0.00 C ATOM 1274 OG1 THR A 83 6.156 -13.136 2.998 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.553 -13.045 3.272 1.00 0.00 C ATOM 0 H THR A 83 6.620 -15.378 4.123 1.00 0.00 H new ATOM 0 HA THR A 83 7.862 -13.385 5.889 1.00 0.00 H new ATOM 0 HB THR A 83 7.125 -11.749 4.188 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.951 -12.356 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.634 -12.445 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.345 -12.763 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.652 -14.101 3.018 1.00 0.00 H new ATOM 1283 N PRO A 84 5.716 -13.241 7.205 1.00 0.00 N ATOM 1284 CA PRO A 84 4.513 -12.929 7.983 1.00 0.00 C ATOM 1285 C PRO A 84 4.076 -11.478 7.818 1.00 0.00 C ATOM 1286 O PRO A 84 2.939 -11.123 8.128 1.00 0.00 O ATOM 1287 CB PRO A 84 4.945 -13.197 9.427 1.00 0.00 C ATOM 1288 CG PRO A 84 6.424 -13.015 9.420 1.00 0.00 C ATOM 1289 CD PRO A 84 6.890 -13.470 8.064 1.00 0.00 C ATOM 0 HA PRO A 84 3.656 -13.522 7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.464 -12.505 10.119 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.672 -14.204 9.742 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.690 -11.972 9.595 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.893 -13.600 10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.754 -12.899 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.184 -14.520 8.071 1.00 0.00 H new ATOM 1297 N PHE A 85 4.986 -10.643 7.328 1.00 0.00 N ATOM 1298 CA PHE A 85 4.694 -9.229 7.123 1.00 0.00 C ATOM 1299 C PHE A 85 5.728 -8.588 6.201 1.00 0.00 C ATOM 1300 O PHE A 85 6.898 -8.973 6.199 1.00 0.00 O ATOM 1301 CB PHE A 85 4.664 -8.492 8.463 1.00 0.00 C ATOM 1302 CG PHE A 85 5.964 -8.557 9.213 1.00 0.00 C ATOM 1303 CD1 PHE A 85 7.075 -7.862 8.762 1.00 0.00 C ATOM 1304 CD2 PHE A 85 6.076 -9.314 10.368 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.272 -7.920 9.449 1.00 0.00 C ATOM 1306 CE2 PHE A 85 7.271 -9.375 11.060 1.00 0.00 C ATOM 1307 CZ PHE A 85 8.371 -8.678 10.599 1.00 0.00 C ATOM 0 H PHE A 85 5.932 -10.921 7.065 1.00 0.00 H new ATOM 0 HA PHE A 85 3.714 -9.152 6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.407 -7.447 8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.874 -8.915 9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.004 -7.268 7.863 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.220 -9.863 10.732 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.130 -7.373 9.087 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.345 -9.967 11.960 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.306 -8.726 11.137 1.00 0.00 H new ATOM 1317 N PHE A 86 5.288 -7.609 5.418 1.00 0.00 N ATOM 1318 CA PHE A 86 6.173 -6.916 4.490 1.00 0.00 C ATOM 1319 C PHE A 86 6.267 -5.432 4.833 1.00 0.00 C ATOM 1320 O PHE A 86 5.256 -4.731 4.892 1.00 0.00 O ATOM 1321 CB PHE A 86 5.677 -7.088 3.053 1.00 0.00 C ATOM 1322 CG PHE A 86 5.996 -8.432 2.465 1.00 0.00 C ATOM 1323 CD1 PHE A 86 7.300 -8.767 2.136 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.993 -9.361 2.240 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.597 -10.004 1.595 1.00 0.00 C ATOM 1326 CE2 PHE A 86 5.284 -10.599 1.700 1.00 0.00 C ATOM 1327 CZ PHE A 86 6.588 -10.921 1.376 1.00 0.00 C ATOM 0 H PHE A 86 4.323 -7.278 5.408 1.00 0.00 H new ATOM 0 HA PHE A 86 7.167 -7.355 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.598 -6.937 3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.121 -6.313 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.093 -8.054 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.972 -9.114 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.617 -10.253 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.493 -11.314 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.818 -11.888 0.952 1.00 0.00 H new ATOM 1337 N LEU A 87 7.488 -4.960 5.060 1.00 0.00 N ATOM 1338 CA LEU A 87 7.716 -3.559 5.399 1.00 0.00 C ATOM 1339 C LEU A 87 8.216 -2.780 4.187 1.00 0.00 C ATOM 1340 O LEU A 87 9.247 -3.116 3.602 1.00 0.00 O ATOM 1341 CB LEU A 87 8.725 -3.448 6.543 1.00 0.00 C ATOM 1342 CG LEU A 87 8.167 -3.651 7.952 1.00 0.00 C ATOM 1343 CD1 LEU A 87 9.297 -3.728 8.967 1.00 0.00 C ATOM 1344 CD2 LEU A 87 7.202 -2.530 8.310 1.00 0.00 C ATOM 0 H LEU A 87 8.335 -5.526 5.016 1.00 0.00 H new ATOM 0 HA LEU A 87 6.767 -3.129 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.514 -4.181 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.190 -2.463 6.496 1.00 0.00 H new ATOM 0 HG LEU A 87 7.621 -4.594 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.881 -3.873 9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.950 -4.565 8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.871 -2.801 8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.815 -2.691 9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.724 -1.574 8.271 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.375 -2.521 7.600 1.00 0.00 H new ATOM 1356 N LEU A 88 7.481 -1.738 3.815 1.00 0.00 N ATOM 1357 CA LEU A 88 7.851 -0.908 2.674 1.00 0.00 C ATOM 1358 C LEU A 88 7.933 0.562 3.072 1.00 0.00 C ATOM 1359 O LEU A 88 7.771 0.909 4.243 1.00 0.00 O ATOM 1360 CB LEU A 88 6.839 -1.085 1.540 1.00 0.00 C ATOM 1361 CG LEU A 88 6.696 -2.502 0.984 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.537 -2.575 0.001 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.990 -2.947 0.319 1.00 0.00 C ATOM 0 H LEU A 88 6.625 -1.448 4.287 1.00 0.00 H new ATOM 0 HA LEU A 88 8.835 -1.227 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.863 -0.756 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.120 -0.422 0.722 1.00 0.00 H new ATOM 0 HG LEU A 88 6.486 -3.178 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.450 -3.591 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.612 -2.299 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.717 -1.887 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.870 -3.958 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.230 -2.269 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.798 -2.934 1.050 1.00 0.00 H new ATOM 1375 N THR A 89 8.184 1.423 2.091 1.00 0.00 N ATOM 1376 CA THR A 89 8.287 2.855 2.338 1.00 0.00 C ATOM 1377 C THR A 89 8.226 3.644 1.035 1.00 0.00 C ATOM 1378 O THR A 89 9.131 3.561 0.206 1.00 0.00 O ATOM 1379 CB THR A 89 9.592 3.205 3.077 1.00 0.00 C ATOM 1380 OG1 THR A 89 9.700 2.429 4.275 1.00 0.00 O ATOM 1381 CG2 THR A 89 9.639 4.687 3.421 1.00 0.00 C ATOM 0 H THR A 89 8.320 1.153 1.117 1.00 0.00 H new ATOM 0 HA THR A 89 7.439 3.129 2.965 1.00 0.00 H new ATOM 0 HB THR A 89 10.429 2.974 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.804 2.227 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.570 4.910 3.942 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.586 5.275 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.794 4.939 4.063 1.00 0.00 H new ATOM 1389 N GLY A 90 7.154 4.411 0.862 1.00 0.00 N ATOM 1390 CA GLY A 90 6.996 5.204 -0.343 1.00 0.00 C ATOM 1391 C GLY A 90 7.897 6.423 -0.356 1.00 0.00 C ATOM 1392 O GLY A 90 8.191 6.998 0.693 1.00 0.00 O ATOM 0 H GLY A 90 6.392 4.497 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.215 4.585 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.957 5.523 -0.431 1.00 0.00 H new ATOM 1396 N TYR A 91 8.337 6.819 -1.545 1.00 0.00 N ATOM 1397 CA TYR A 91 9.213 7.975 -1.690 1.00 0.00 C ATOM 1398 C TYR A 91 8.707 8.908 -2.787 1.00 0.00 C ATOM 1399 O TYR A 91 9.019 8.726 -3.963 1.00 0.00 O ATOM 1400 CB TYR A 91 10.640 7.524 -2.006 1.00 0.00 C ATOM 1401 CG TYR A 91 11.335 6.856 -0.842 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.682 7.578 0.293 1.00 0.00 C ATOM 1403 CD2 TYR A 91 11.647 5.502 -0.878 1.00 0.00 C ATOM 1404 CE1 TYR A 91 12.318 6.972 1.359 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.282 4.888 0.184 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.616 5.627 1.300 1.00 0.00 C ATOM 1407 OH TYR A 91 13.250 5.018 2.359 1.00 0.00 O ATOM 0 H TYR A 91 8.101 6.356 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 91 9.212 8.520 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.616 6.833 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.224 8.389 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.450 8.632 0.343 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.389 4.920 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.580 7.548 2.234 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.516 3.835 0.141 1.00 0.00 H new ATOM 0 HH TYR A 91 13.385 4.069 2.157 1.00 0.00 H new ATOM 1417 N ALA A 92 7.925 9.906 -2.391 1.00 0.00 N ATOM 1418 CA ALA A 92 7.378 10.870 -3.339 1.00 0.00 C ATOM 1419 C ALA A 92 8.470 11.783 -3.885 1.00 0.00 C ATOM 1420 O ALA A 92 8.627 12.919 -3.434 1.00 0.00 O ATOM 1421 CB ALA A 92 6.279 11.691 -2.681 1.00 0.00 C ATOM 0 H ALA A 92 7.656 10.069 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 92 6.951 10.318 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.880 12.407 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.481 11.029 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.688 12.227 -1.825 1.00 0.00 H new ATOM 1427 N LEU A 93 9.223 11.281 -4.858 1.00 0.00 N ATOM 1428 CA LEU A 93 10.301 12.053 -5.466 1.00 0.00 C ATOM 1429 C LEU A 93 9.757 13.016 -6.516 1.00 0.00 C ATOM 1430 O LEU A 93 8.742 12.743 -7.156 1.00 0.00 O ATOM 1431 CB LEU A 93 11.330 11.116 -6.101 1.00 0.00 C ATOM 1432 CG LEU A 93 12.041 10.155 -5.148 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.971 9.230 -5.918 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.813 10.929 -4.089 1.00 0.00 C ATOM 0 H LEU A 93 9.107 10.343 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 93 10.784 12.636 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.830 10.529 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.084 11.723 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 93 11.288 9.546 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.468 8.553 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.393 8.651 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.719 9.822 -6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.313 10.229 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.556 11.563 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.123 11.549 -3.517 1.00 0.00 H new ATOM 1446 N ASP A 94 10.440 14.142 -6.688 1.00 0.00 N ATOM 1447 CA ASP A 94 10.027 15.145 -7.663 1.00 0.00 C ATOM 1448 C ASP A 94 10.703 14.905 -9.010 1.00 0.00 C ATOM 1449 O ASP A 94 11.476 13.960 -9.167 1.00 0.00 O ATOM 1450 CB ASP A 94 10.360 16.549 -7.155 1.00 0.00 C ATOM 1451 CG ASP A 94 9.552 17.624 -7.855 1.00 0.00 C ATOM 1452 OD1 ASP A 94 8.310 17.501 -7.897 1.00 0.00 O ATOM 1453 OD2 ASP A 94 10.162 18.590 -8.359 1.00 0.00 O ATOM 0 H ASP A 94 11.282 14.383 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 94 8.949 15.062 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.173 16.598 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.422 16.743 -7.302 1.00 0.00 H new ATOM 1458 N ALA A 95 10.405 15.765 -9.977 1.00 0.00 N ATOM 1459 CA ALA A 95 10.985 15.647 -11.310 1.00 0.00 C ATOM 1460 C ALA A 95 12.488 15.904 -11.279 1.00 0.00 C ATOM 1461 O ALA A 95 13.179 15.715 -12.280 1.00 0.00 O ATOM 1462 CB ALA A 95 10.302 16.610 -12.270 1.00 0.00 C ATOM 0 H ALA A 95 9.765 16.551 -9.863 1.00 0.00 H new ATOM 0 HA ALA A 95 10.824 14.627 -11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.745 16.511 -13.261 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.238 16.378 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.433 17.632 -11.914 1.00 0.00 H new ATOM 1468 N ARG A 96 12.986 16.335 -10.126 1.00 0.00 N ATOM 1469 CA ARG A 96 14.407 16.620 -9.966 1.00 0.00 C ATOM 1470 C ARG A 96 15.150 15.397 -9.435 1.00 0.00 C ATOM 1471 O ARG A 96 16.293 15.141 -9.811 1.00 0.00 O ATOM 1472 CB ARG A 96 14.609 17.804 -9.019 1.00 0.00 C ATOM 1473 CG ARG A 96 14.451 19.157 -9.694 1.00 0.00 C ATOM 1474 CD ARG A 96 14.296 20.273 -8.673 1.00 0.00 C ATOM 1475 NE ARG A 96 13.943 21.544 -9.301 1.00 0.00 N ATOM 1476 CZ ARG A 96 14.779 22.247 -10.056 1.00 0.00 C ATOM 1477 NH1 ARG A 96 16.010 21.806 -10.277 1.00 0.00 N ATOM 1478 NH2 ARG A 96 14.384 23.395 -10.593 1.00 0.00 N ATOM 0 H ARG A 96 12.427 16.495 -9.288 1.00 0.00 H new ATOM 0 HA ARG A 96 14.813 16.874 -10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.893 17.730 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.604 17.741 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.319 19.355 -10.322 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.580 19.138 -10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.527 19.999 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.227 20.389 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 96 13.003 21.911 -9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.317 20.924 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.650 22.349 -10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.438 23.737 -10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.027 23.935 -11.173 1.00 0.00 H new ATOM 1492 N GLY A 97 14.492 14.646 -8.557 1.00 0.00 N ATOM 1493 CA GLY A 97 15.105 13.461 -7.988 1.00 0.00 C ATOM 1494 C GLY A 97 15.426 13.624 -6.515 1.00 0.00 C ATOM 1495 O GLY A 97 16.412 13.077 -6.023 1.00 0.00 O ATOM 0 H GLY A 97 13.545 14.838 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.435 12.611 -8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.021 13.232 -8.533 1.00 0.00 H new ATOM 1499 N ASN A 98 14.591 14.380 -5.810 1.00 0.00 N ATOM 1500 CA ASN A 98 14.792 14.616 -4.385 1.00 0.00 C ATOM 1501 C ASN A 98 13.487 14.438 -3.615 1.00 0.00 C ATOM 1502 O ASN A 98 12.401 14.628 -4.161 1.00 0.00 O ATOM 1503 CB ASN A 98 15.345 16.023 -4.152 1.00 0.00 C ATOM 1504 CG ASN A 98 16.403 16.403 -5.170 1.00 0.00 C ATOM 1505 OD1 ASN A 98 17.582 16.089 -5.004 1.00 0.00 O ATOM 1506 ND2 ASN A 98 15.986 17.084 -6.231 1.00 0.00 N ATOM 0 H ASN A 98 13.769 14.840 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 98 15.513 13.884 -4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.528 16.743 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.770 16.082 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.653 17.368 -6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.999 17.323 -6.328 1.00 0.00 H new ATOM 1513 N ASN A 99 13.602 14.071 -2.342 1.00 0.00 N ATOM 1514 CA ASN A 99 12.432 13.866 -1.496 1.00 0.00 C ATOM 1515 C ASN A 99 11.852 15.201 -1.039 1.00 0.00 C ATOM 1516 O ASN A 99 12.389 15.848 -0.140 1.00 0.00 O ATOM 1517 CB ASN A 99 12.798 13.013 -0.281 1.00 0.00 C ATOM 1518 CG ASN A 99 11.585 12.635 0.547 1.00 0.00 C ATOM 1519 OD1 ASN A 99 10.800 11.769 0.160 1.00 0.00 O ATOM 1520 ND2 ASN A 99 11.426 13.286 1.694 1.00 0.00 N ATOM 0 H ASN A 99 14.494 13.910 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 99 11.677 13.343 -2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.303 12.107 -0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.505 13.559 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 99 10.628 13.075 2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.102 13.996 1.975 1.00 0.00 H new ATOM 1527 N VAL A 100 10.751 15.607 -1.663 1.00 0.00 N ATOM 1528 CA VAL A 100 10.096 16.864 -1.319 1.00 0.00 C ATOM 1529 C VAL A 100 9.220 16.706 -0.081 1.00 0.00 C ATOM 1530 O VAL A 100 8.859 17.689 0.565 1.00 0.00 O ATOM 1531 CB VAL A 100 9.232 17.383 -2.483 1.00 0.00 C ATOM 1532 CG1 VAL A 100 10.098 17.690 -3.695 1.00 0.00 C ATOM 1533 CG2 VAL A 100 8.148 16.375 -2.833 1.00 0.00 C ATOM 0 H VAL A 100 10.294 15.084 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 100 10.885 17.587 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 100 8.748 18.308 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.470 18.056 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.833 18.451 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.612 16.783 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.547 16.758 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.609 15.432 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.510 16.211 -1.965 1.00 0.00 H new ATOM 1543 N GLU A 101 8.881 15.462 0.243 1.00 0.00 N ATOM 1544 CA GLU A 101 8.047 15.176 1.404 1.00 0.00 C ATOM 1545 C GLU A 101 8.543 13.934 2.139 1.00 0.00 C ATOM 1546 O GLU A 101 8.780 12.891 1.529 1.00 0.00 O ATOM 1547 CB GLU A 101 6.590 14.981 0.978 1.00 0.00 C ATOM 1548 CG GLU A 101 5.843 16.285 0.752 1.00 0.00 C ATOM 1549 CD GLU A 101 5.275 16.861 2.034 1.00 0.00 C ATOM 1550 OE1 GLU A 101 4.611 16.111 2.780 1.00 0.00 O ATOM 1551 OE2 GLU A 101 5.496 18.063 2.293 1.00 0.00 O ATOM 0 H GLU A 101 9.171 14.637 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 101 8.110 16.027 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.564 14.393 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.071 14.402 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.517 17.012 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.032 16.117 0.043 1.00 0.00 H new ATOM 1558 N LYS A 102 8.700 14.054 3.453 1.00 0.00 N ATOM 1559 CA LYS A 102 9.167 12.943 4.273 1.00 0.00 C ATOM 1560 C LYS A 102 8.462 11.647 3.886 1.00 0.00 C ATOM 1561 O LYS A 102 7.252 11.613 3.663 1.00 0.00 O ATOM 1562 CB LYS A 102 8.932 13.241 5.755 1.00 0.00 C ATOM 1563 CG LYS A 102 9.211 12.058 6.666 1.00 0.00 C ATOM 1564 CD LYS A 102 10.656 12.045 7.136 1.00 0.00 C ATOM 1565 CE LYS A 102 10.831 12.838 8.422 1.00 0.00 C ATOM 1566 NZ LYS A 102 10.230 12.138 9.591 1.00 0.00 N ATOM 0 H LYS A 102 8.510 14.911 3.973 1.00 0.00 H new ATOM 0 HA LYS A 102 10.236 12.821 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.566 14.076 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.899 13.559 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.547 12.098 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.991 11.131 6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.979 11.016 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.296 12.463 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.893 13.004 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.370 13.819 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.620 12.533 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.198 12.268 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.452 11.123 9.540 1.00 0.00 H new ATOM 1580 N PRO A 103 9.234 10.553 3.806 1.00 0.00 N ATOM 1581 CA PRO A 103 8.704 9.234 3.449 1.00 0.00 C ATOM 1582 C PRO A 103 7.818 8.649 4.544 1.00 0.00 C ATOM 1583 O PRO A 103 8.142 8.732 5.729 1.00 0.00 O ATOM 1584 CB PRO A 103 9.963 8.382 3.267 1.00 0.00 C ATOM 1585 CG PRO A 103 10.995 9.049 4.109 1.00 0.00 C ATOM 1586 CD PRO A 103 10.684 10.519 4.060 1.00 0.00 C ATOM 0 HA PRO A 103 8.070 9.276 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.795 7.354 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.268 8.345 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.963 8.677 5.133 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.997 8.849 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.940 11.015 4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.242 11.022 3.270 1.00 0.00 H new ATOM 1594 N LEU A 104 6.700 8.056 4.140 1.00 0.00 N ATOM 1595 CA LEU A 104 5.767 7.456 5.088 1.00 0.00 C ATOM 1596 C LEU A 104 6.112 5.991 5.338 1.00 0.00 C ATOM 1597 O LEU A 104 7.034 5.449 4.730 1.00 0.00 O ATOM 1598 CB LEU A 104 4.334 7.573 4.567 1.00 0.00 C ATOM 1599 CG LEU A 104 3.922 6.556 3.502 1.00 0.00 C ATOM 1600 CD1 LEU A 104 2.425 6.294 3.564 1.00 0.00 C ATOM 1601 CD2 LEU A 104 4.323 7.042 2.117 1.00 0.00 C ATOM 0 H LEU A 104 6.417 7.978 3.163 1.00 0.00 H new ATOM 0 HA LEU A 104 5.849 7.995 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.653 7.480 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.198 8.574 4.157 1.00 0.00 H new ATOM 0 HG LEU A 104 4.442 5.619 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.151 5.568 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.165 5.901 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.885 7.225 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.022 6.306 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.831 7.992 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.404 7.177 2.078 1.00 0.00 H new ATOM 1613 N GLU A 105 5.364 5.357 6.235 1.00 0.00 N ATOM 1614 CA GLU A 105 5.590 3.955 6.563 1.00 0.00 C ATOM 1615 C GLU A 105 4.400 3.098 6.141 1.00 0.00 C ATOM 1616 O GLU A 105 3.245 3.498 6.299 1.00 0.00 O ATOM 1617 CB GLU A 105 5.841 3.793 8.064 1.00 0.00 C ATOM 1618 CG GLU A 105 6.152 2.365 8.479 1.00 0.00 C ATOM 1619 CD GLU A 105 7.623 2.025 8.342 1.00 0.00 C ATOM 1620 OE1 GLU A 105 8.272 2.561 7.419 1.00 0.00 O ATOM 1621 OE2 GLU A 105 8.125 1.222 9.156 1.00 0.00 O ATOM 0 H GLU A 105 4.597 5.792 6.747 1.00 0.00 H new ATOM 0 HA GLU A 105 6.471 3.619 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.671 4.436 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.963 4.138 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.843 2.216 9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.566 1.678 7.869 1.00 0.00 H new ATOM 1628 N LEU A 106 4.689 1.919 5.602 1.00 0.00 N ATOM 1629 CA LEU A 106 3.644 1.005 5.155 1.00 0.00 C ATOM 1630 C LEU A 106 3.936 -0.421 5.612 1.00 0.00 C ATOM 1631 O LEU A 106 4.812 -1.091 5.067 1.00 0.00 O ATOM 1632 CB LEU A 106 3.518 1.048 3.631 1.00 0.00 C ATOM 1633 CG LEU A 106 2.544 0.047 3.010 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.141 0.631 2.955 1.00 0.00 C ATOM 1635 CD2 LEU A 106 3.010 -0.358 1.619 1.00 0.00 C ATOM 0 H LEU A 106 5.639 1.573 5.464 1.00 0.00 H new ATOM 0 HA LEU A 106 2.702 1.324 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.210 2.052 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.505 0.880 3.200 1.00 0.00 H new ATOM 0 HG LEU A 106 2.520 -0.844 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.462 -0.096 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.806 0.870 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.148 1.538 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.305 -1.071 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.064 0.525 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.996 -0.818 1.685 1.00 0.00 H new ATOM 1647 N ARG A 107 3.193 -0.879 6.615 1.00 0.00 N ATOM 1648 CA ARG A 107 3.372 -2.225 7.145 1.00 0.00 C ATOM 1649 C ARG A 107 2.239 -3.142 6.692 1.00 0.00 C ATOM 1650 O ARG A 107 1.235 -3.295 7.388 1.00 0.00 O ATOM 1651 CB ARG A 107 3.434 -2.191 8.673 1.00 0.00 C ATOM 1652 CG ARG A 107 3.761 -3.537 9.300 1.00 0.00 C ATOM 1653 CD ARG A 107 4.314 -3.376 10.708 1.00 0.00 C ATOM 1654 NE ARG A 107 4.882 -4.621 11.218 1.00 0.00 N ATOM 1655 CZ ARG A 107 4.160 -5.578 11.791 1.00 0.00 C ATOM 1656 NH1 ARG A 107 2.849 -5.433 11.926 1.00 0.00 N ATOM 1657 NH2 ARG A 107 4.750 -6.682 12.230 1.00 0.00 N ATOM 0 H ARG A 107 2.462 -0.338 7.076 1.00 0.00 H new ATOM 0 HA ARG A 107 4.312 -2.618 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.185 -1.464 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.476 -1.843 9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 107 2.863 -4.154 9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.488 -4.061 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.080 -2.600 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.519 -3.041 11.374 1.00 0.00 H new ATOM 0 HE ARG A 107 5.888 -4.764 11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.392 -4.585 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.297 -6.169 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.758 -6.797 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.195 -7.416 12.670 1.00 0.00 H new ATOM 1671 N ILE A 108 2.408 -3.749 5.522 1.00 0.00 N ATOM 1672 CA ILE A 108 1.401 -4.651 4.977 1.00 0.00 C ATOM 1673 C ILE A 108 1.298 -5.926 5.807 1.00 0.00 C ATOM 1674 O ILE A 108 2.298 -6.601 6.056 1.00 0.00 O ATOM 1675 CB ILE A 108 1.712 -5.026 3.516 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.794 -3.767 2.650 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.656 -5.979 2.978 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.396 -4.011 1.285 1.00 0.00 C ATOM 0 H ILE A 108 3.233 -3.632 4.933 1.00 0.00 H new ATOM 0 HA ILE A 108 0.450 -4.120 5.012 1.00 0.00 H new ATOM 0 HB ILE A 108 2.678 -5.530 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.793 -3.354 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.387 -3.016 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.889 -6.235 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.643 -6.886 3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.322 -5.500 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.423 -3.075 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.410 -4.395 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.790 -4.739 0.745 1.00 0.00 H new ATOM 1690 N LYS A 109 0.082 -6.252 6.232 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.154 -7.449 7.031 1.00 0.00 C ATOM 1692 C LYS A 109 -0.541 -8.628 6.145 1.00 0.00 C ATOM 1693 O LYS A 109 -1.410 -8.509 5.281 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.254 -7.189 8.062 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.709 -8.440 8.795 1.00 0.00 C ATOM 1696 CD LYS A 109 -0.591 -9.029 9.638 1.00 0.00 C ATOM 1697 CE LYS A 109 -1.003 -10.352 10.265 1.00 0.00 C ATOM 1698 NZ LYS A 109 -0.021 -10.813 11.285 1.00 0.00 N ATOM 0 H LYS A 109 -0.756 -5.704 6.036 1.00 0.00 H new ATOM 0 HA LYS A 109 0.772 -7.697 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.894 -6.462 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.111 -6.740 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.559 -8.200 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.051 -9.182 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.293 -9.179 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.315 -8.324 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.984 -10.244 10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.099 -11.108 9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.338 -11.718 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.910 -10.940 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.053 -10.103 12.042 1.00 0.00 H new ATOM 1712 N VAL A 110 0.108 -9.767 6.365 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.170 -10.968 5.588 1.00 0.00 C ATOM 1714 C VAL A 110 -1.134 -11.890 6.327 1.00 0.00 C ATOM 1715 O VAL A 110 -0.716 -12.834 6.998 1.00 0.00 O ATOM 1716 CB VAL A 110 1.122 -11.744 5.270 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.813 -12.981 4.441 1.00 0.00 C ATOM 1718 CG2 VAL A 110 2.119 -10.846 4.553 1.00 0.00 C ATOM 0 H VAL A 110 0.830 -9.883 7.076 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.627 -10.641 4.654 1.00 0.00 H new ATOM 0 HB VAL A 110 1.570 -12.069 6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.738 -13.516 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.138 -13.632 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.341 -12.683 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.026 -11.410 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.682 -10.489 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 110 2.364 -9.995 5.188 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.427 -11.610 6.199 1.00 0.00 N ATOM 1729 CA LEU A 111 -3.452 -12.415 6.855 1.00 0.00 C ATOM 1730 C LEU A 111 -3.478 -13.830 6.288 1.00 0.00 C ATOM 1731 O LEU A 111 -3.238 -14.038 5.099 1.00 0.00 O ATOM 1732 CB LEU A 111 -4.825 -11.761 6.688 1.00 0.00 C ATOM 1733 CG LEU A 111 -4.993 -10.381 7.324 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.365 -9.809 7.004 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -4.783 -10.458 8.829 1.00 0.00 C ATOM 0 H LEU A 111 -2.790 -10.832 5.648 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.210 -12.473 7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.037 -11.676 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.577 -12.428 7.111 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.238 -9.715 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.466 -8.827 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.478 -9.716 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.136 -10.474 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.906 -9.467 9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.514 -11.139 9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.778 -10.823 9.038 1.00 0.00 H new ATOM 1747 N ASP A 112 -3.773 -14.800 7.147 1.00 0.00 N ATOM 1748 CA ASP A 112 -3.834 -16.197 6.732 1.00 0.00 C ATOM 1749 C ASP A 112 -5.201 -16.529 6.140 1.00 0.00 C ATOM 1750 O ASP A 112 -6.235 -16.175 6.707 1.00 0.00 O ATOM 1751 CB ASP A 112 -3.541 -17.117 7.918 1.00 0.00 C ATOM 1752 CG ASP A 112 -4.453 -16.848 9.098 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -4.840 -15.677 9.294 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -4.778 -17.808 9.828 1.00 0.00 O ATOM 0 H ASP A 112 -3.974 -14.645 8.135 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.077 -16.355 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -3.653 -18.155 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -2.504 -16.987 8.227 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.196 -17.208 4.999 1.00 0.00 N ATOM 1760 CA ILE A 113 -6.435 -17.588 4.331 1.00 0.00 C ATOM 1761 C ILE A 113 -7.353 -18.359 5.273 1.00 0.00 C ATOM 1762 O ILE A 113 -8.569 -18.388 5.086 1.00 0.00 O ATOM 1763 CB ILE A 113 -6.162 -18.446 3.082 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -7.452 -18.648 2.283 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.564 -19.786 3.481 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -7.857 -17.437 1.473 1.00 0.00 C ATOM 0 H ILE A 113 -4.348 -17.507 4.517 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.925 -16.663 4.026 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.444 -17.924 2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.325 -19.498 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -8.259 -18.902 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.377 -20.381 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.626 -19.622 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.260 -20.316 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -8.779 -17.652 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.016 -16.590 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.068 -17.195 0.761 1.00 0.00 H new ATOM 1778 N ASN A 114 -6.763 -18.982 6.288 1.00 0.00 N ATOM 1779 CA ASN A 114 -7.528 -19.753 7.261 1.00 0.00 C ATOM 1780 C ASN A 114 -8.466 -18.849 8.055 1.00 0.00 C ATOM 1781 O ASN A 114 -9.478 -19.303 8.589 1.00 0.00 O ATOM 1782 CB ASN A 114 -6.585 -20.491 8.213 1.00 0.00 C ATOM 1783 CG ASN A 114 -5.861 -21.639 7.536 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -6.479 -22.625 7.135 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -4.545 -21.515 7.408 1.00 0.00 N ATOM 0 H ASN A 114 -5.757 -18.968 6.458 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.129 -20.483 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -5.853 -19.789 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -7.155 -20.873 9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -4.004 -22.256 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -4.075 -20.679 7.756 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.123 -17.568 8.128 1.00 0.00 N ATOM 1793 CA ASP A 115 -8.934 -16.599 8.855 1.00 0.00 C ATOM 1794 C ASP A 115 -10.316 -16.464 8.223 1.00 0.00 C ATOM 1795 O ASP A 115 -11.229 -15.895 8.819 1.00 0.00 O ATOM 1796 CB ASP A 115 -8.238 -15.238 8.885 1.00 0.00 C ATOM 1797 CG ASP A 115 -8.600 -14.429 10.115 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -7.975 -14.647 11.173 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -9.509 -13.578 10.019 1.00 0.00 O ATOM 0 H ASP A 115 -7.288 -17.176 7.692 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.055 -16.958 9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.158 -15.385 8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.508 -14.675 7.991 1.00 0.00 H new ATOM 1804 N ASN A 116 -10.460 -16.989 7.010 1.00 0.00 N ATOM 1805 CA ASN A 116 -11.730 -16.925 6.296 1.00 0.00 C ATOM 1806 C ASN A 116 -12.479 -15.639 6.631 1.00 0.00 C ATOM 1807 O ASN A 116 -13.706 -15.628 6.714 1.00 0.00 O ATOM 1808 CB ASN A 116 -12.595 -18.138 6.642 1.00 0.00 C ATOM 1809 CG ASN A 116 -12.354 -19.307 5.707 1.00 0.00 C ATOM 1810 OD1 ASN A 116 -11.510 -19.237 4.813 1.00 0.00 O ATOM 1811 ND2 ASN A 116 -13.095 -20.390 5.910 1.00 0.00 N ATOM 0 H ASN A 116 -9.713 -17.463 6.502 1.00 0.00 H new ATOM 0 HA ASN A 116 -11.518 -16.932 5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.388 -18.447 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -13.647 -17.854 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.976 -21.208 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.783 -20.404 6.663 1.00 0.00 H new ATOM 1818 N GLU A 117 -11.730 -14.557 6.822 1.00 0.00 N ATOM 1819 CA GLU A 117 -12.324 -13.266 7.148 1.00 0.00 C ATOM 1820 C GLU A 117 -12.916 -12.610 5.905 1.00 0.00 C ATOM 1821 O GLU A 117 -12.225 -12.352 4.919 1.00 0.00 O ATOM 1822 CB GLU A 117 -11.278 -12.343 7.777 1.00 0.00 C ATOM 1823 CG GLU A 117 -11.472 -10.877 7.428 1.00 0.00 C ATOM 1824 CD GLU A 117 -12.579 -10.227 8.235 1.00 0.00 C ATOM 1825 OE1 GLU A 117 -12.287 -9.700 9.328 1.00 0.00 O ATOM 1826 OE2 GLU A 117 -13.739 -10.245 7.771 1.00 0.00 O ATOM 0 H GLU A 117 -10.712 -14.549 6.757 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.127 -13.435 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.309 -12.457 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.286 -12.657 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.539 -10.340 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.701 -10.787 6.366 1.00 0.00 H new ATOM 1833 N PRO A 118 -14.227 -12.332 5.950 1.00 0.00 N ATOM 1834 CA PRO A 118 -14.942 -11.702 4.836 1.00 0.00 C ATOM 1835 C PRO A 118 -14.540 -10.244 4.640 1.00 0.00 C ATOM 1836 O PRO A 118 -13.737 -9.703 5.400 1.00 0.00 O ATOM 1837 CB PRO A 118 -16.411 -11.800 5.256 1.00 0.00 C ATOM 1838 CG PRO A 118 -16.375 -11.871 6.744 1.00 0.00 C ATOM 1839 CD PRO A 118 -15.113 -12.611 7.093 1.00 0.00 C ATOM 0 HA PRO A 118 -14.723 -12.187 3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -16.979 -10.935 4.914 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -16.887 -12.683 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -16.376 -10.873 7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.252 -12.390 7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -14.684 -12.255 8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.293 -13.680 7.210 1.00 0.00 H new ATOM 1847 N VAL A 119 -15.105 -9.612 3.615 1.00 0.00 N ATOM 1848 CA VAL A 119 -14.806 -8.216 3.320 1.00 0.00 C ATOM 1849 C VAL A 119 -16.084 -7.389 3.227 1.00 0.00 C ATOM 1850 O VAL A 119 -16.981 -7.699 2.443 1.00 0.00 O ATOM 1851 CB VAL A 119 -14.020 -8.077 2.003 1.00 0.00 C ATOM 1852 CG1 VAL A 119 -13.770 -6.611 1.683 1.00 0.00 C ATOM 1853 CG2 VAL A 119 -12.709 -8.845 2.081 1.00 0.00 C ATOM 0 H VAL A 119 -15.772 -10.045 2.976 1.00 0.00 H new ATOM 0 HA VAL A 119 -14.194 -7.842 4.141 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.617 -8.504 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.213 -6.532 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -14.724 -6.093 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.193 -6.156 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -12.167 -8.736 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -12.104 -8.450 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -12.916 -9.900 2.260 1.00 0.00 H new ATOM 1863 N PHE A 120 -16.159 -6.334 4.031 1.00 0.00 N ATOM 1864 CA PHE A 120 -17.327 -5.461 4.040 1.00 0.00 C ATOM 1865 C PHE A 120 -16.994 -4.100 3.438 1.00 0.00 C ATOM 1866 O PHE A 120 -17.382 -3.060 3.970 1.00 0.00 O ATOM 1867 CB PHE A 120 -17.848 -5.286 5.468 1.00 0.00 C ATOM 1868 CG PHE A 120 -19.331 -5.055 5.541 1.00 0.00 C ATOM 1869 CD1 PHE A 120 -20.214 -5.948 4.955 1.00 0.00 C ATOM 1870 CD2 PHE A 120 -19.841 -3.946 6.197 1.00 0.00 C ATOM 1871 CE1 PHE A 120 -21.578 -5.737 5.020 1.00 0.00 C ATOM 1872 CE2 PHE A 120 -21.205 -3.731 6.266 1.00 0.00 C ATOM 1873 CZ PHE A 120 -22.074 -4.628 5.677 1.00 0.00 C ATOM 0 H PHE A 120 -15.425 -6.063 4.685 1.00 0.00 H new ATOM 0 HA PHE A 120 -18.102 -5.927 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.598 -6.174 6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -17.334 -4.445 5.933 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -19.832 -6.818 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -19.165 -3.242 6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -22.256 -6.439 4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -21.590 -2.863 6.780 1.00 0.00 H new ATOM 0 HZ PHE A 120 -23.140 -4.463 5.730 1.00 0.00 H new ATOM 1883 N THR A 121 -16.270 -4.114 2.323 1.00 0.00 N ATOM 1884 CA THR A 121 -15.882 -2.882 1.648 1.00 0.00 C ATOM 1885 C THR A 121 -15.636 -1.760 2.650 1.00 0.00 C ATOM 1886 O THR A 121 -16.074 -0.628 2.447 1.00 0.00 O ATOM 1887 CB THR A 121 -16.957 -2.430 0.641 1.00 0.00 C ATOM 1888 OG1 THR A 121 -17.551 -3.572 0.013 1.00 0.00 O ATOM 1889 CG2 THR A 121 -16.357 -1.517 -0.417 1.00 0.00 C ATOM 0 H THR A 121 -15.941 -4.966 1.868 1.00 0.00 H new ATOM 0 HA THR A 121 -14.958 -3.094 1.110 1.00 0.00 H new ATOM 0 HB THR A 121 -17.723 -1.876 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.234 -3.276 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 121 -17.135 -1.211 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.932 -0.635 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.574 -2.050 -0.956 1.00 0.00 H new ATOM 1897 N GLN A 122 -14.933 -2.082 3.731 1.00 0.00 N ATOM 1898 CA GLN A 122 -14.629 -1.099 4.764 1.00 0.00 C ATOM 1899 C GLN A 122 -13.803 0.050 4.197 1.00 0.00 C ATOM 1900 O GLN A 122 -12.844 -0.168 3.457 1.00 0.00 O ATOM 1901 CB GLN A 122 -13.877 -1.760 5.921 1.00 0.00 C ATOM 1902 CG GLN A 122 -13.821 -0.906 7.177 1.00 0.00 C ATOM 1903 CD GLN A 122 -12.719 -1.334 8.125 1.00 0.00 C ATOM 1904 OE1 GLN A 122 -12.566 -2.519 8.424 1.00 0.00 O ATOM 1905 NE2 GLN A 122 -11.942 -0.370 8.605 1.00 0.00 N ATOM 0 H GLN A 122 -14.564 -3.015 3.914 1.00 0.00 H new ATOM 0 HA GLN A 122 -15.572 -0.696 5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -14.356 -2.710 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -12.860 -1.987 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -13.669 0.136 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -14.780 -0.961 7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -12.104 0.599 8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.184 -0.599 9.248 1.00 0.00 H new ATOM 1914 N ASP A 123 -14.183 1.274 4.548 1.00 0.00 N ATOM 1915 CA ASP A 123 -13.477 2.459 4.074 1.00 0.00 C ATOM 1916 C ASP A 123 -12.837 3.212 5.236 1.00 0.00 C ATOM 1917 O ASP A 123 -13.533 3.770 6.086 1.00 0.00 O ATOM 1918 CB ASP A 123 -14.434 3.381 3.318 1.00 0.00 C ATOM 1919 CG ASP A 123 -14.977 2.743 2.055 1.00 0.00 C ATOM 1920 OD1 ASP A 123 -14.284 2.796 1.017 1.00 0.00 O ATOM 1921 OD2 ASP A 123 -16.095 2.189 2.104 1.00 0.00 O ATOM 0 H ASP A 123 -14.976 1.471 5.159 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.687 2.134 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.264 3.652 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.916 4.305 3.061 1.00 0.00 H new TER 1926 ASP A 123