USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1033 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 89 ASN : amide:sc= -0.964! C(o=-0.98!,f=-1.8!) USER MOD Set 1.2: A 123 GLN : amide:sc= -0.0159 X(o=-0.98,f=-1) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.965 K(o=3.4,f=-3.6) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 152:sc= 2.48 (180deg=-0.158) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -0.164 K(o=-1.3,f=-3.4) USER MOD Set 3.2: A 114 MET CE :methyl 157:sc= -0.571 (180deg=-0.586) USER MOD Set 3.3: A 115 GLN : amide:sc= -0.61 K(o=-1.3,f=-3.7) USER MOD Set 4.1: A 9 GLN : amide:sc= 1.1 K(o=1.1,f=-0.23) USER MOD Set 4.2: A 11 GLN : amide:sc= 0.018 K(o=1.1,f=-0.34) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.625 K(o=-0.63,f=-0.00015) USER MOD Single : A 17 ASN : amide:sc= -0.624 K(o=-0.62,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0854) USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= 1.06 (180deg=-0.0963) USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 32 SER OG : rot 78:sc= 1.11 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -168:sc= 0.356 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -86:sc= -1.09! USER MOD Single : A 51 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.0064) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 95:sc= 1.29 USER MOD Single : A 67 SER OG : rot 180:sc= -0.171 USER MOD Single : A 71 HIS : no HE2:sc= 0.334 K(o=0.33,f=-4.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.46! K(o=-1.5!,f=-3.9) USER MOD Single : A 82 CYS SG : rot 75:sc= 0.137 USER MOD Single : A 85 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.512 K(o=0.51,f=-1) USER MOD Single : A 91 GLN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.311 K(o=-0.31,f=-1.4!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 140:sc= 0.242 USER MOD Single : A 104 SER OG : rot -130:sc= -0.0255 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -100:sc= 0.458 USER MOD Single : A 108 SER OG : rot -167:sc= 0.356 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.73) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0.0781 K(o=0.078,f=-0.46) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -166:sc= -0.0236 (180deg=-0.187) USER MOD Single : A 134 LYS NZ :NH3+ 149:sc= 1.06 (180deg=-0.0428) USER MOD Single : A 138 LYS NZ :NH3+ -144:sc= 1.89 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.621 10.412 1.535 1.00 0.00 N ATOM 2 CA PRO A 1 4.212 10.535 2.864 1.00 0.00 C ATOM 3 C PRO A 1 5.718 10.765 2.804 1.00 0.00 C ATOM 4 O PRO A 1 6.276 11.337 3.704 1.00 0.00 O ATOM 5 CB PRO A 1 3.922 9.281 3.647 1.00 0.00 C ATOM 6 CG PRO A 1 2.823 8.650 2.866 1.00 0.00 C ATOM 7 CD PRO A 1 3.021 9.085 1.424 1.00 0.00 C ATOM 0 H2 PRO A 1 4.332 10.542 0.816 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.916 11.135 1.391 1.00 0.00 H new ATOM 0 HA PRO A 1 3.769 11.403 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.796 8.633 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.615 9.504 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.858 7.564 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.849 8.968 3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.672 8.396 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.075 9.118 0.884 1.00 0.00 H new ATOM 17 N VAL A 2 6.382 10.294 1.774 1.00 0.00 N ATOM 18 CA VAL A 2 7.823 10.496 1.661 1.00 0.00 C ATOM 19 C VAL A 2 8.125 11.235 0.379 1.00 0.00 C ATOM 20 O VAL A 2 7.611 10.874 -0.674 1.00 0.00 O ATOM 21 CB VAL A 2 8.618 9.150 1.663 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.121 9.363 1.617 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.244 8.265 2.832 1.00 0.00 C ATOM 0 H VAL A 2 5.960 9.773 1.005 1.00 0.00 H new ATOM 0 HA VAL A 2 8.138 11.072 2.531 1.00 0.00 H new ATOM 0 HB VAL A 2 8.329 8.635 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.626 8.397 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.384 9.907 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.434 9.939 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.823 7.342 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.459 8.785 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.181 8.029 2.784 1.00 0.00 H new ATOM 33 N THR A 3 8.910 12.262 0.471 1.00 0.00 N ATOM 34 CA THR A 3 9.325 13.004 -0.685 1.00 0.00 C ATOM 35 C THR A 3 10.801 12.667 -0.924 1.00 0.00 C ATOM 36 O THR A 3 11.537 12.378 0.049 1.00 0.00 O ATOM 37 CB THR A 3 9.106 14.532 -0.485 1.00 0.00 C ATOM 38 OG1 THR A 3 9.589 15.260 -1.610 1.00 0.00 O ATOM 39 CG2 THR A 3 9.755 15.039 0.794 1.00 0.00 C ATOM 0 H THR A 3 9.284 12.614 1.352 1.00 0.00 H new ATOM 0 HA THR A 3 8.729 12.730 -1.555 1.00 0.00 H new ATOM 0 HB THR A 3 8.032 14.695 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.441 16.218 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.577 16.110 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.326 14.519 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.828 14.852 0.756 1.00 0.00 H new ATOM 47 N GLU A 4 11.240 12.664 -2.170 1.00 0.00 N ATOM 48 CA GLU A 4 12.575 12.229 -2.488 1.00 0.00 C ATOM 49 C GLU A 4 13.290 13.097 -3.509 1.00 0.00 C ATOM 50 O GLU A 4 12.781 14.085 -3.964 1.00 0.00 O ATOM 51 CB GLU A 4 12.607 10.767 -2.908 1.00 0.00 C ATOM 52 CG GLU A 4 11.587 10.350 -3.982 1.00 0.00 C ATOM 53 CD GLU A 4 11.476 11.256 -5.204 1.00 0.00 C ATOM 54 OE1 GLU A 4 12.278 11.126 -6.138 1.00 0.00 O ATOM 55 OE2 GLU A 4 10.569 12.101 -5.244 1.00 0.00 O ATOM 0 H GLU A 4 10.686 12.959 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 4 13.132 12.341 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.607 10.537 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.445 10.152 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 4 11.842 9.347 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.605 10.287 -3.514 1.00 0.00 H new ATOM 62 N THR A 5 14.409 12.671 -3.863 1.00 0.00 N ATOM 63 CA THR A 5 15.249 13.314 -4.800 1.00 0.00 C ATOM 64 C THR A 5 16.199 12.242 -5.213 1.00 0.00 C ATOM 65 O THR A 5 16.172 11.165 -4.594 1.00 0.00 O ATOM 66 CB THR A 5 16.020 14.559 -4.185 1.00 0.00 C ATOM 67 OG1 THR A 5 16.611 15.324 -5.233 1.00 0.00 O ATOM 68 CG2 THR A 5 17.136 14.151 -3.209 1.00 0.00 C ATOM 0 H THR A 5 14.809 11.808 -3.494 1.00 0.00 H new ATOM 0 HA THR A 5 14.681 13.733 -5.631 1.00 0.00 H new ATOM 0 HB THR A 5 15.280 15.139 -3.634 1.00 0.00 H new ATOM 0 HG1 THR A 5 17.084 16.092 -4.850 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.626 15.045 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.707 13.586 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 5 17.867 13.533 -3.730 1.00 0.00 H new ATOM 76 N VAL A 6 16.977 12.450 -6.231 1.00 0.00 N ATOM 77 CA VAL A 6 17.903 11.455 -6.637 1.00 0.00 C ATOM 78 C VAL A 6 19.321 11.998 -6.647 1.00 0.00 C ATOM 79 O VAL A 6 19.641 12.937 -7.391 1.00 0.00 O ATOM 80 CB VAL A 6 17.527 10.832 -8.015 1.00 0.00 C ATOM 81 CG1 VAL A 6 18.499 9.725 -8.412 1.00 0.00 C ATOM 82 CG2 VAL A 6 16.095 10.287 -7.977 1.00 0.00 C ATOM 0 H VAL A 6 16.984 13.302 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 6 17.855 10.653 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 6 17.592 11.620 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 6 18.207 9.313 -9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 6 19.507 10.134 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 6 18.479 8.936 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.844 9.854 -8.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.018 9.520 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 6 15.403 11.098 -7.752 1.00 0.00 H new ATOM 92 N ASP A 7 20.159 11.415 -5.806 1.00 0.00 N ATOM 93 CA ASP A 7 21.572 11.796 -5.718 1.00 0.00 C ATOM 94 C ASP A 7 22.308 11.341 -6.985 1.00 0.00 C ATOM 95 O ASP A 7 21.820 10.456 -7.675 1.00 0.00 O ATOM 96 CB ASP A 7 22.209 11.196 -4.450 1.00 0.00 C ATOM 97 CG ASP A 7 23.673 11.526 -4.270 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.096 12.633 -4.653 1.00 0.00 O ATOM 99 OD2 ASP A 7 24.433 10.674 -3.757 1.00 0.00 O ATOM 0 H ASP A 7 19.888 10.668 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 7 21.653 12.881 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 7 21.659 11.552 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.094 10.112 -4.478 1.00 0.00 H new ATOM 104 N GLY A 8 23.490 11.915 -7.248 1.00 0.00 N ATOM 105 CA GLY A 8 24.252 11.658 -8.478 1.00 0.00 C ATOM 106 C GLY A 8 24.578 10.195 -8.732 1.00 0.00 C ATOM 107 O GLY A 8 24.696 9.782 -9.873 1.00 0.00 O ATOM 0 H GLY A 8 23.945 12.571 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 8 23.686 12.042 -9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 8 25.184 12.221 -8.436 1.00 0.00 H new ATOM 111 N GLN A 9 24.726 9.418 -7.679 1.00 0.00 N ATOM 112 CA GLN A 9 24.958 7.961 -7.786 1.00 0.00 C ATOM 113 C GLN A 9 23.658 7.184 -8.083 1.00 0.00 C ATOM 114 O GLN A 9 23.661 5.950 -8.164 1.00 0.00 O ATOM 115 CB GLN A 9 25.602 7.442 -6.496 1.00 0.00 C ATOM 116 CG GLN A 9 24.866 7.856 -5.239 1.00 0.00 C ATOM 117 CD GLN A 9 25.579 7.444 -3.985 1.00 0.00 C ATOM 118 OE1 GLN A 9 26.228 6.393 -3.922 1.00 0.00 O ATOM 119 NE2 GLN A 9 25.540 8.290 -3.009 1.00 0.00 N ATOM 0 H GLN A 9 24.692 9.761 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 9 25.632 7.795 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 9 25.650 6.354 -6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 9 26.629 7.804 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 9 24.737 8.938 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 9 23.869 7.416 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 9 24.993 9.147 -3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 9 26.056 8.101 -2.150 1.00 0.00 H new ATOM 128 N GLY A 10 22.574 7.904 -8.240 1.00 0.00 N ATOM 129 CA GLY A 10 21.296 7.313 -8.552 1.00 0.00 C ATOM 130 C GLY A 10 20.652 6.645 -7.371 1.00 0.00 C ATOM 131 O GLY A 10 20.528 5.415 -7.333 1.00 0.00 O ATOM 0 H GLY A 10 22.554 8.920 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.628 8.086 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.426 6.582 -9.350 1.00 0.00 H new ATOM 135 N GLN A 11 20.242 7.439 -6.408 1.00 0.00 N ATOM 136 CA GLN A 11 19.530 6.938 -5.241 1.00 0.00 C ATOM 137 C GLN A 11 18.448 7.923 -4.868 1.00 0.00 C ATOM 138 O GLN A 11 18.615 9.115 -5.067 1.00 0.00 O ATOM 139 CB GLN A 11 20.443 6.705 -4.050 1.00 0.00 C ATOM 140 CG GLN A 11 21.085 7.952 -3.538 1.00 0.00 C ATOM 141 CD GLN A 11 21.660 7.774 -2.178 1.00 0.00 C ATOM 142 OE1 GLN A 11 22.807 7.427 -2.019 1.00 0.00 O ATOM 143 NE2 GLN A 11 20.845 7.974 -1.179 1.00 0.00 N ATOM 0 H GLN A 11 20.389 8.448 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 11 19.101 5.971 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 11 19.868 6.246 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN A 11 21.221 5.995 -4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 11 21.873 8.261 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 11 20.348 8.755 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 11 19.884 8.267 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 21.169 7.838 -0.221 1.00 0.00 H new ATOM 152 N ALA A 12 17.404 7.438 -4.276 1.00 0.00 N ATOM 153 CA ALA A 12 16.238 8.233 -3.971 1.00 0.00 C ATOM 154 C ALA A 12 16.085 8.371 -2.477 1.00 0.00 C ATOM 155 O ALA A 12 16.004 7.373 -1.751 1.00 0.00 O ATOM 156 CB ALA A 12 15.008 7.617 -4.580 1.00 0.00 C ATOM 0 H ALA A 12 17.328 6.464 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 12 16.366 9.227 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.138 8.229 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.126 7.562 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.867 6.613 -4.179 1.00 0.00 H new ATOM 162 N TRP A 13 16.094 9.597 -2.035 1.00 0.00 N ATOM 163 CA TRP A 13 16.031 9.946 -0.628 1.00 0.00 C ATOM 164 C TRP A 13 15.656 11.398 -0.513 1.00 0.00 C ATOM 165 O TRP A 13 15.746 12.101 -1.487 1.00 0.00 O ATOM 166 CB TRP A 13 17.412 9.701 0.038 1.00 0.00 C ATOM 167 CG TRP A 13 18.572 10.468 -0.576 1.00 0.00 C ATOM 168 CD1 TRP A 13 18.679 10.913 -1.860 1.00 0.00 C ATOM 169 CD2 TRP A 13 19.796 10.841 0.064 1.00 0.00 C ATOM 170 NE1 TRP A 13 19.846 11.527 -2.062 1.00 0.00 N ATOM 171 CE2 TRP A 13 20.571 11.513 -0.898 1.00 0.00 C ATOM 172 CE3 TRP A 13 20.311 10.680 1.359 1.00 0.00 C ATOM 173 CZ2 TRP A 13 21.834 12.025 -0.617 1.00 0.00 C ATOM 174 CZ3 TRP A 13 21.565 11.185 1.639 1.00 0.00 C ATOM 175 CH2 TRP A 13 22.317 11.852 0.652 1.00 0.00 C ATOM 0 H TRP A 13 16.146 10.408 -2.652 1.00 0.00 H new ATOM 0 HA TRP A 13 15.288 9.329 -0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 13 17.341 9.965 1.093 1.00 0.00 H new ATOM 0 HB3 TRP A 13 17.636 8.635 -0.009 1.00 0.00 H new ATOM 0 HD1 TRP A 13 17.918 10.785 -2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 13 20.151 11.941 -2.943 1.00 0.00 H new ATOM 0 HE3 TRP A 13 19.739 10.172 2.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 22.411 12.539 -1.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 21.976 11.067 2.631 1.00 0.00 H new ATOM 0 HH2 TRP A 13 23.295 12.235 0.902 1.00 0.00 H new ATOM 186 N ARG A 14 15.215 11.813 0.646 1.00 0.00 N ATOM 187 CA ARG A 14 14.890 13.201 0.963 1.00 0.00 C ATOM 188 C ARG A 14 14.285 13.227 2.368 1.00 0.00 C ATOM 189 O ARG A 14 14.910 12.772 3.325 1.00 0.00 O ATOM 190 CB ARG A 14 14.003 13.979 -0.090 1.00 0.00 C ATOM 191 CG ARG A 14 13.911 15.502 0.125 1.00 0.00 C ATOM 192 CD ARG A 14 12.795 16.171 -0.710 1.00 0.00 C ATOM 193 NE ARG A 14 12.943 16.032 -2.157 1.00 0.00 N ATOM 194 CZ ARG A 14 12.551 16.962 -3.058 1.00 0.00 C ATOM 195 NH1 ARG A 14 11.798 17.982 -2.686 1.00 0.00 N ATOM 196 NH2 ARG A 14 12.830 16.805 -4.343 1.00 0.00 N ATOM 0 H ARG A 14 15.063 11.180 1.431 1.00 0.00 H new ATOM 0 HA ARG A 14 15.823 13.762 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 14 14.404 13.793 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.995 13.564 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.735 15.703 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.868 15.957 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.836 15.746 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.763 17.232 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 14 13.371 15.176 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.507 18.073 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.507 18.678 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.342 15.981 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.533 17.508 -5.019 1.00 0.00 H new ATOM 210 N HIS A 15 13.069 13.708 2.490 1.00 0.00 N ATOM 211 CA HIS A 15 12.467 13.939 3.788 1.00 0.00 C ATOM 212 C HIS A 15 11.184 13.152 3.950 1.00 0.00 C ATOM 213 O HIS A 15 10.552 12.729 2.964 1.00 0.00 O ATOM 214 CB HIS A 15 12.206 15.434 4.044 1.00 0.00 C ATOM 215 CG HIS A 15 13.448 16.272 4.335 1.00 0.00 C ATOM 216 ND1 HIS A 15 13.568 17.035 5.464 1.00 0.00 N ATOM 217 CD2 HIS A 15 14.602 16.474 3.637 1.00 0.00 C ATOM 218 CE1 HIS A 15 14.728 17.673 5.452 1.00 0.00 C ATOM 219 NE2 HIS A 15 15.378 17.348 4.357 1.00 0.00 N ATOM 0 H HIS A 15 12.471 13.949 1.700 1.00 0.00 H new ATOM 0 HA HIS A 15 13.185 13.590 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.701 15.852 3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.519 15.527 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 15 14.859 16.027 2.688 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.082 18.349 6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.302 17.687 4.088 1.00 0.00 H new ATOM 228 N HIS A 16 10.806 12.951 5.180 1.00 0.00 N ATOM 229 CA HIS A 16 9.617 12.234 5.501 1.00 0.00 C ATOM 230 C HIS A 16 8.585 13.245 5.897 1.00 0.00 C ATOM 231 O HIS A 16 8.855 14.108 6.731 1.00 0.00 O ATOM 232 CB HIS A 16 9.848 11.266 6.675 1.00 0.00 C ATOM 233 CG HIS A 16 11.073 10.418 6.539 1.00 0.00 C ATOM 234 ND1 HIS A 16 11.915 10.161 7.585 1.00 0.00 N ATOM 235 CD2 HIS A 16 11.632 9.827 5.465 1.00 0.00 C ATOM 236 CE1 HIS A 16 12.942 9.464 7.162 1.00 0.00 C ATOM 237 NE2 HIS A 16 12.796 9.251 5.877 1.00 0.00 N ATOM 0 H HIS A 16 11.324 13.286 5.993 1.00 0.00 H new ATOM 0 HA HIS A 16 9.300 11.645 4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.919 11.842 7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.979 10.616 6.772 1.00 0.00 H new ATOM 0 HD1 HIS A 16 11.767 10.465 8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 16 11.231 9.812 4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 16 13.768 9.123 7.769 1.00 0.00 H new ATOM 246 N ASN A 17 7.453 13.185 5.278 1.00 0.00 N ATOM 247 CA ASN A 17 6.354 14.059 5.591 1.00 0.00 C ATOM 248 C ASN A 17 5.479 13.339 6.570 1.00 0.00 C ATOM 249 O ASN A 17 5.411 12.105 6.544 1.00 0.00 O ATOM 250 CB ASN A 17 5.542 14.390 4.321 1.00 0.00 C ATOM 251 CG ASN A 17 6.329 15.129 3.236 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.047 14.981 2.051 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.302 15.912 3.620 1.00 0.00 N ATOM 0 H ASN A 17 7.255 12.521 4.529 1.00 0.00 H new ATOM 0 HA ASN A 17 6.726 14.996 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.154 13.462 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.681 14.996 4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.851 16.421 2.927 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.513 16.015 4.613 1.00 0.00 H new ATOM 260 N GLY A 18 4.798 14.064 7.405 1.00 0.00 N ATOM 261 CA GLY A 18 3.969 13.444 8.422 1.00 0.00 C ATOM 262 C GLY A 18 2.633 12.966 7.887 1.00 0.00 C ATOM 263 O GLY A 18 1.601 13.329 8.424 1.00 0.00 O ATOM 0 H GLY A 18 4.793 15.084 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.505 12.599 8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.797 14.158 9.228 1.00 0.00 H new ATOM 267 N PHE A 19 2.687 12.137 6.835 1.00 0.00 N ATOM 268 CA PHE A 19 1.519 11.520 6.165 1.00 0.00 C ATOM 269 C PHE A 19 0.596 12.576 5.552 1.00 0.00 C ATOM 270 O PHE A 19 0.000 13.397 6.257 1.00 0.00 O ATOM 271 CB PHE A 19 0.754 10.609 7.114 1.00 0.00 C ATOM 272 CG PHE A 19 1.628 9.571 7.770 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.302 8.631 7.007 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.786 9.547 9.142 1.00 0.00 C ATOM 275 CE1 PHE A 19 3.111 7.689 7.595 1.00 0.00 C ATOM 276 CE2 PHE A 19 2.596 8.603 9.737 1.00 0.00 C ATOM 277 CZ PHE A 19 3.258 7.671 8.965 1.00 0.00 C ATOM 0 H PHE A 19 3.572 11.864 6.408 1.00 0.00 H new ATOM 0 HA PHE A 19 1.902 10.907 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.278 11.215 7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.044 10.109 6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.190 8.639 5.933 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.271 10.273 9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.630 6.965 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.712 8.593 10.811 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.889 6.930 9.433 1.00 0.00 H new ATOM 287 N ASP A 20 0.444 12.554 4.241 1.00 0.00 N ATOM 288 CA ASP A 20 -0.306 13.574 3.531 1.00 0.00 C ATOM 289 C ASP A 20 -1.762 13.296 3.687 1.00 0.00 C ATOM 290 O ASP A 20 -2.281 12.295 3.174 1.00 0.00 O ATOM 291 CB ASP A 20 0.068 13.565 2.046 1.00 0.00 C ATOM 292 CG ASP A 20 1.562 13.720 1.841 1.00 0.00 C ATOM 293 OD1 ASP A 20 2.062 14.859 1.934 1.00 0.00 O ATOM 294 OD2 ASP A 20 2.269 12.695 1.637 1.00 0.00 O ATOM 0 H ASP A 20 0.836 11.830 3.639 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.069 14.555 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.266 12.632 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.455 14.373 1.535 1.00 0.00 H new ATOM 299 N PHE A 21 -2.429 14.171 4.382 1.00 0.00 N ATOM 300 CA PHE A 21 -3.814 13.949 4.737 1.00 0.00 C ATOM 301 C PHE A 21 -4.739 14.019 3.528 1.00 0.00 C ATOM 302 O PHE A 21 -5.776 13.386 3.529 1.00 0.00 O ATOM 303 CB PHE A 21 -4.267 14.904 5.848 1.00 0.00 C ATOM 304 CG PHE A 21 -5.572 14.507 6.489 1.00 0.00 C ATOM 305 CD1 PHE A 21 -5.613 13.452 7.386 1.00 0.00 C ATOM 306 CD2 PHE A 21 -6.744 15.194 6.218 1.00 0.00 C ATOM 307 CE1 PHE A 21 -6.798 13.091 8.005 1.00 0.00 C ATOM 308 CE2 PHE A 21 -7.939 14.840 6.828 1.00 0.00 C ATOM 309 CZ PHE A 21 -7.968 13.787 7.726 1.00 0.00 C ATOM 0 H PHE A 21 -2.040 15.052 4.719 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.882 12.933 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.494 14.949 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.365 15.908 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.709 12.904 7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.727 16.019 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.813 12.268 8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.844 15.385 6.603 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.894 13.508 8.207 1.00 0.00 H new ATOM 319 N ALA A 22 -4.351 14.786 2.516 1.00 0.00 N ATOM 320 CA ALA A 22 -5.093 14.903 1.252 1.00 0.00 C ATOM 321 C ALA A 22 -5.468 13.538 0.675 1.00 0.00 C ATOM 322 O ALA A 22 -6.597 13.335 0.238 1.00 0.00 O ATOM 323 CB ALA A 22 -4.265 15.638 0.233 1.00 0.00 C ATOM 0 H ALA A 22 -3.504 15.353 2.544 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.009 15.451 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.824 15.719 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.032 16.636 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.339 15.092 0.055 1.00 0.00 H new ATOM 329 N VAL A 23 -4.518 12.613 0.733 1.00 0.00 N ATOM 330 CA VAL A 23 -4.671 11.260 0.210 1.00 0.00 C ATOM 331 C VAL A 23 -5.746 10.521 1.014 1.00 0.00 C ATOM 332 O VAL A 23 -6.715 9.992 0.461 1.00 0.00 O ATOM 333 CB VAL A 23 -3.324 10.488 0.337 1.00 0.00 C ATOM 334 CG1 VAL A 23 -3.433 9.055 -0.159 1.00 0.00 C ATOM 335 CG2 VAL A 23 -2.205 11.220 -0.392 1.00 0.00 C ATOM 0 H VAL A 23 -3.604 12.784 1.152 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.962 11.315 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.082 10.448 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.469 8.558 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.183 8.524 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.725 9.055 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.276 10.660 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.457 11.311 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.080 12.214 0.038 1.00 0.00 H new ATOM 345 N ILE A 24 -5.553 10.530 2.318 1.00 0.00 N ATOM 346 CA ILE A 24 -6.470 9.883 3.275 1.00 0.00 C ATOM 347 C ILE A 24 -7.878 10.414 3.041 1.00 0.00 C ATOM 348 O ILE A 24 -8.813 9.672 2.776 1.00 0.00 O ATOM 349 CB ILE A 24 -6.091 10.246 4.750 1.00 0.00 C ATOM 350 CG1 ILE A 24 -4.587 10.095 4.998 1.00 0.00 C ATOM 351 CG2 ILE A 24 -6.887 9.388 5.737 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.053 8.719 4.700 1.00 0.00 C ATOM 0 H ILE A 24 -4.755 10.986 2.760 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.406 8.805 3.127 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.349 11.293 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.053 10.821 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.374 10.339 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.610 9.655 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.953 9.563 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.665 8.335 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.982 8.693 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.558 7.988 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.232 8.478 3.652 1.00 0.00 H new ATOM 364 N LYS A 25 -7.958 11.725 3.085 1.00 0.00 N ATOM 365 CA LYS A 25 -9.151 12.510 2.918 1.00 0.00 C ATOM 366 C LYS A 25 -9.871 12.161 1.604 1.00 0.00 C ATOM 367 O LYS A 25 -11.075 11.869 1.599 1.00 0.00 O ATOM 368 CB LYS A 25 -8.712 13.976 2.896 1.00 0.00 C ATOM 369 CG LYS A 25 -9.812 15.017 2.804 1.00 0.00 C ATOM 370 CD LYS A 25 -9.213 16.389 2.489 1.00 0.00 C ATOM 371 CE LYS A 25 -8.715 16.489 1.034 1.00 0.00 C ATOM 372 NZ LYS A 25 -9.812 16.434 0.039 1.00 0.00 N ATOM 0 H LYS A 25 -7.135 12.305 3.249 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.851 12.310 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.134 14.171 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.039 14.117 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.525 14.736 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.363 15.059 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.962 17.160 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.384 16.586 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.165 17.421 0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.015 15.677 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.440 16.674 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.214 15.475 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.553 17.114 0.302 1.00 0.00 H new ATOM 386 N GLU A 26 -9.130 12.164 0.505 1.00 0.00 N ATOM 387 CA GLU A 26 -9.696 11.942 -0.818 1.00 0.00 C ATOM 388 C GLU A 26 -10.217 10.509 -0.959 1.00 0.00 C ATOM 389 O GLU A 26 -11.367 10.293 -1.390 1.00 0.00 O ATOM 390 CB GLU A 26 -8.634 12.217 -1.908 1.00 0.00 C ATOM 391 CG GLU A 26 -9.189 12.346 -3.314 1.00 0.00 C ATOM 392 CD GLU A 26 -10.123 13.527 -3.422 1.00 0.00 C ATOM 393 OE1 GLU A 26 -9.636 14.687 -3.515 1.00 0.00 O ATOM 394 OE2 GLU A 26 -11.351 13.327 -3.388 1.00 0.00 O ATOM 0 H GLU A 26 -8.122 12.320 0.505 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.532 12.630 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.103 13.135 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.901 11.411 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.369 12.460 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.719 11.433 -3.584 1.00 0.00 H new ATOM 401 N LEU A 27 -9.379 9.539 -0.608 1.00 0.00 N ATOM 402 CA LEU A 27 -9.794 8.152 -0.759 1.00 0.00 C ATOM 403 C LEU A 27 -10.975 7.846 0.138 1.00 0.00 C ATOM 404 O LEU A 27 -11.879 7.157 -0.275 1.00 0.00 O ATOM 405 CB LEU A 27 -8.667 7.129 -0.534 1.00 0.00 C ATOM 406 CG LEU A 27 -9.057 5.679 -0.875 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.532 5.573 -2.317 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.895 4.738 -0.638 1.00 0.00 C ATOM 0 H LEU A 27 -8.442 9.680 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.089 8.046 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.806 7.414 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.353 7.174 0.509 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.876 5.389 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.802 4.540 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.402 6.214 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.733 5.889 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.195 3.720 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.055 5.032 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.598 4.784 0.410 1.00 0.00 H new ATOM 420 N LYS A 28 -10.976 8.411 1.338 1.00 0.00 N ATOM 421 CA LYS A 28 -12.070 8.220 2.312 1.00 0.00 C ATOM 422 C LYS A 28 -13.397 8.737 1.755 1.00 0.00 C ATOM 423 O LYS A 28 -14.476 8.153 2.002 1.00 0.00 O ATOM 424 CB LYS A 28 -11.740 8.940 3.616 1.00 0.00 C ATOM 425 CG LYS A 28 -12.768 8.777 4.714 1.00 0.00 C ATOM 426 CD LYS A 28 -12.335 9.478 5.985 1.00 0.00 C ATOM 427 CE LYS A 28 -13.383 9.325 7.064 1.00 0.00 C ATOM 428 NZ LYS A 28 -13.635 7.903 7.394 1.00 0.00 N ATOM 0 H LYS A 28 -10.226 9.015 1.674 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.171 7.152 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.780 8.576 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.620 10.003 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.724 9.181 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.922 7.717 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.388 9.064 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.166 10.536 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.060 9.854 7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.312 9.791 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.787 7.806 8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.480 7.573 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.815 7.330 7.110 1.00 0.00 H new ATOM 442 N THR A 29 -13.317 9.802 0.985 1.00 0.00 N ATOM 443 CA THR A 29 -14.496 10.379 0.383 1.00 0.00 C ATOM 444 C THR A 29 -15.096 9.425 -0.671 1.00 0.00 C ATOM 445 O THR A 29 -16.314 9.146 -0.663 1.00 0.00 O ATOM 446 CB THR A 29 -14.184 11.750 -0.230 1.00 0.00 C ATOM 447 OG1 THR A 29 -13.533 12.573 0.776 1.00 0.00 O ATOM 448 CG2 THR A 29 -15.466 12.446 -0.701 1.00 0.00 C ATOM 0 H THR A 29 -12.446 10.284 0.762 1.00 0.00 H new ATOM 0 HA THR A 29 -15.239 10.525 1.167 1.00 0.00 H new ATOM 0 HB THR A 29 -13.533 11.611 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.585 12.332 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.216 13.416 -1.131 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.958 11.831 -1.454 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.136 12.587 0.147 1.00 0.00 H new ATOM 456 N ALA A 30 -14.249 8.903 -1.556 1.00 0.00 N ATOM 457 CA ALA A 30 -14.649 7.983 -2.580 1.00 0.00 C ATOM 458 C ALA A 30 -15.059 6.637 -1.981 1.00 0.00 C ATOM 459 O ALA A 30 -15.952 5.971 -2.465 1.00 0.00 O ATOM 460 CB ALA A 30 -13.507 7.830 -3.558 1.00 0.00 C ATOM 0 H ALA A 30 -13.253 9.121 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.523 8.370 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.793 7.133 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.273 8.799 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.630 7.448 -3.036 1.00 0.00 H new ATOM 466 N ALA A 31 -14.440 6.293 -0.898 1.00 0.00 N ATOM 467 CA ALA A 31 -14.740 5.083 -0.165 1.00 0.00 C ATOM 468 C ALA A 31 -16.141 5.169 0.414 1.00 0.00 C ATOM 469 O ALA A 31 -16.822 4.160 0.597 1.00 0.00 O ATOM 470 CB ALA A 31 -13.733 4.953 0.937 1.00 0.00 C ATOM 0 H ALA A 31 -13.694 6.850 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.693 4.214 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.934 4.047 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.732 4.898 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.800 5.820 1.595 1.00 0.00 H new ATOM 476 N SER A 32 -16.564 6.364 0.701 1.00 0.00 N ATOM 477 CA SER A 32 -17.871 6.591 1.210 1.00 0.00 C ATOM 478 C SER A 32 -18.909 6.669 0.082 1.00 0.00 C ATOM 479 O SER A 32 -19.803 5.840 0.013 1.00 0.00 O ATOM 480 CB SER A 32 -17.881 7.834 2.085 1.00 0.00 C ATOM 481 OG SER A 32 -16.965 7.675 3.168 1.00 0.00 O ATOM 0 H SER A 32 -16.004 7.209 0.586 1.00 0.00 H new ATOM 0 HA SER A 32 -18.155 5.741 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.609 8.708 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.885 8.010 2.470 1.00 0.00 H new ATOM 0 HG SER A 32 -16.051 7.825 2.848 1.00 0.00 H new ATOM 487 N GLN A 33 -18.737 7.559 -0.869 1.00 0.00 N ATOM 488 CA GLN A 33 -19.705 7.819 -1.935 1.00 0.00 C ATOM 489 C GLN A 33 -19.668 6.744 -3.027 1.00 0.00 C ATOM 490 O GLN A 33 -20.684 6.174 -3.397 1.00 0.00 O ATOM 491 CB GLN A 33 -19.355 9.147 -2.592 1.00 0.00 C ATOM 492 CG GLN A 33 -19.299 10.347 -1.680 1.00 0.00 C ATOM 493 CD GLN A 33 -20.612 11.021 -1.579 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.424 10.725 -0.710 1.00 0.00 O ATOM 495 NE2 GLN A 33 -20.830 11.932 -2.475 1.00 0.00 N ATOM 0 H GLN A 33 -17.902 8.142 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 33 -20.698 7.826 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.386 9.043 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.087 9.345 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -18.973 10.035 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.556 11.052 -2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.118 12.138 -3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -21.713 12.442 -2.479 1.00 0.00 H new ATOM 504 N TYR A 34 -18.487 6.465 -3.492 1.00 0.00 N ATOM 505 CA TYR A 34 -18.265 5.691 -4.688 1.00 0.00 C ATOM 506 C TYR A 34 -18.309 4.197 -4.446 1.00 0.00 C ATOM 507 O TYR A 34 -18.953 3.450 -5.209 1.00 0.00 O ATOM 508 CB TYR A 34 -16.911 6.165 -5.319 1.00 0.00 C ATOM 509 CG TYR A 34 -16.983 7.514 -6.016 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.069 8.676 -5.279 1.00 0.00 C ATOM 511 CD2 TYR A 34 -16.985 7.628 -7.402 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.149 9.906 -5.866 1.00 0.00 C ATOM 513 CE2 TYR A 34 -17.062 8.873 -8.010 1.00 0.00 C ATOM 514 CZ TYR A 34 -17.143 10.005 -7.238 1.00 0.00 C ATOM 515 OH TYR A 34 -17.201 11.255 -7.840 1.00 0.00 O ATOM 0 H TYR A 34 -17.626 6.775 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.080 5.867 -5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.156 6.215 -4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.576 5.416 -6.037 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.073 8.611 -4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -16.926 6.738 -8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.217 10.795 -5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -17.058 8.951 -9.087 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.187 11.150 -8.814 1.00 0.00 H new ATOM 525 N GLY A 35 -17.698 3.760 -3.364 1.00 0.00 N ATOM 526 CA GLY A 35 -17.572 2.344 -3.105 1.00 0.00 C ATOM 527 C GLY A 35 -16.399 1.802 -3.887 1.00 0.00 C ATOM 528 O GLY A 35 -16.107 2.285 -4.990 1.00 0.00 O ATOM 0 H GLY A 35 -17.283 4.363 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.427 2.168 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.487 1.826 -3.392 1.00 0.00 H new ATOM 532 N ALA A 36 -15.749 0.782 -3.384 1.00 0.00 N ATOM 533 CA ALA A 36 -14.542 0.329 -4.033 1.00 0.00 C ATOM 534 C ALA A 36 -14.865 -0.650 -5.132 1.00 0.00 C ATOM 535 O ALA A 36 -15.146 -1.803 -4.873 1.00 0.00 O ATOM 536 CB ALA A 36 -13.545 -0.222 -3.052 1.00 0.00 C ATOM 0 H ALA A 36 -16.024 0.261 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.065 1.195 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.653 -0.551 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.274 0.553 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.984 -1.068 -2.524 1.00 0.00 H new ATOM 542 N THR A 37 -14.785 -0.149 -6.365 1.00 0.00 N ATOM 543 CA THR A 37 -15.174 -0.827 -7.603 1.00 0.00 C ATOM 544 C THR A 37 -15.455 0.287 -8.620 1.00 0.00 C ATOM 545 O THR A 37 -15.304 0.109 -9.818 1.00 0.00 O ATOM 546 CB THR A 37 -16.433 -1.759 -7.433 1.00 0.00 C ATOM 547 OG1 THR A 37 -16.661 -2.563 -8.596 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.670 -0.973 -7.129 1.00 0.00 C ATOM 0 H THR A 37 -14.428 0.791 -6.537 1.00 0.00 H new ATOM 0 HA THR A 37 -14.375 -1.494 -7.927 1.00 0.00 H new ATOM 0 HB THR A 37 -16.213 -2.413 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.448 -3.129 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.515 -1.653 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.529 -0.417 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.868 -0.277 -7.944 1.00 0.00 H new ATOM 556 N ALA A 38 -15.831 1.466 -8.097 1.00 0.00 N ATOM 557 CA ALA A 38 -16.009 2.646 -8.906 1.00 0.00 C ATOM 558 C ALA A 38 -14.640 3.108 -9.350 1.00 0.00 C ATOM 559 O ALA A 38 -13.768 3.279 -8.504 1.00 0.00 O ATOM 560 CB ALA A 38 -16.698 3.733 -8.102 1.00 0.00 C ATOM 0 H ALA A 38 -16.015 1.610 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.633 2.425 -9.772 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.827 4.619 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.674 3.377 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.089 3.984 -7.234 1.00 0.00 H new ATOM 566 N PRO A 39 -14.433 3.300 -10.674 1.00 0.00 N ATOM 567 CA PRO A 39 -13.126 3.641 -11.280 1.00 0.00 C ATOM 568 C PRO A 39 -12.340 4.704 -10.516 1.00 0.00 C ATOM 569 O PRO A 39 -11.120 4.593 -10.373 1.00 0.00 O ATOM 570 CB PRO A 39 -13.510 4.161 -12.662 1.00 0.00 C ATOM 571 CG PRO A 39 -14.733 3.395 -13.003 1.00 0.00 C ATOM 572 CD PRO A 39 -15.479 3.199 -11.714 1.00 0.00 C ATOM 0 HA PRO A 39 -12.462 2.777 -11.284 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.702 5.234 -12.646 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.716 3.990 -13.388 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.342 3.937 -13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.478 2.436 -13.455 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.249 3.958 -11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.978 2.230 -11.685 1.00 0.00 H new ATOM 580 N TYR A 40 -13.046 5.712 -10.015 1.00 0.00 N ATOM 581 CA TYR A 40 -12.435 6.799 -9.273 1.00 0.00 C ATOM 582 C TYR A 40 -11.655 6.303 -8.043 1.00 0.00 C ATOM 583 O TYR A 40 -10.428 6.432 -7.984 1.00 0.00 O ATOM 584 CB TYR A 40 -13.496 7.830 -8.880 1.00 0.00 C ATOM 585 CG TYR A 40 -12.979 9.062 -8.130 1.00 0.00 C ATOM 586 CD1 TYR A 40 -12.286 10.071 -8.790 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.214 9.220 -6.775 1.00 0.00 C ATOM 588 CE1 TYR A 40 -11.849 11.195 -8.119 1.00 0.00 C ATOM 589 CE2 TYR A 40 -12.772 10.335 -6.098 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.092 11.319 -6.773 1.00 0.00 C ATOM 591 OH TYR A 40 -11.686 12.447 -6.106 1.00 0.00 O ATOM 0 H TYR A 40 -14.058 5.795 -10.114 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.706 7.277 -9.927 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.004 8.165 -9.785 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.243 7.336 -8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.086 9.973 -9.847 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.754 8.454 -6.238 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.319 11.972 -8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.960 10.435 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.759 12.300 -5.140 1.00 0.00 H new ATOM 601 N THR A 41 -12.345 5.712 -7.048 1.00 0.00 N ATOM 602 CA THR A 41 -11.729 5.292 -5.798 1.00 0.00 C ATOM 603 C THR A 41 -10.518 4.359 -5.974 1.00 0.00 C ATOM 604 O THR A 41 -9.501 4.548 -5.315 1.00 0.00 O ATOM 605 CB THR A 41 -12.780 4.671 -4.828 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.217 4.367 -3.553 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.367 3.428 -5.406 1.00 0.00 C ATOM 0 H THR A 41 -13.345 5.517 -7.099 1.00 0.00 H new ATOM 0 HA THR A 41 -11.334 6.204 -5.351 1.00 0.00 H new ATOM 0 HB THR A 41 -13.560 5.420 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.907 3.981 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.097 3.013 -4.711 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.857 3.662 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.576 2.698 -5.579 1.00 0.00 H new ATOM 615 N LEU A 42 -10.587 3.373 -6.845 1.00 0.00 N ATOM 616 CA LEU A 42 -9.431 2.493 -6.971 1.00 0.00 C ATOM 617 C LEU A 42 -8.259 3.095 -7.714 1.00 0.00 C ATOM 618 O LEU A 42 -7.120 2.683 -7.517 1.00 0.00 O ATOM 619 CB LEU A 42 -9.687 0.990 -7.268 1.00 0.00 C ATOM 620 CG LEU A 42 -10.658 0.581 -8.382 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.083 0.729 -7.940 1.00 0.00 C ATOM 622 CD2 LEU A 42 -10.390 1.333 -9.663 1.00 0.00 C ATOM 0 H LEU A 42 -11.382 3.162 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.112 2.434 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.723 0.536 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.043 0.534 -6.344 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.487 -0.475 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.748 0.432 -8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.263 0.094 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.276 1.769 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.099 1.014 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.502 2.403 -9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.375 1.126 -10.001 1.00 0.00 H new ATOM 634 N ALA A 43 -8.543 4.105 -8.529 1.00 0.00 N ATOM 635 CA ALA A 43 -7.500 4.876 -9.186 1.00 0.00 C ATOM 636 C ALA A 43 -6.720 5.624 -8.125 1.00 0.00 C ATOM 637 O ALA A 43 -5.528 5.903 -8.249 1.00 0.00 O ATOM 638 CB ALA A 43 -8.095 5.847 -10.185 1.00 0.00 C ATOM 0 H ALA A 43 -9.492 4.408 -8.750 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.839 4.204 -9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.295 6.412 -10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.652 5.295 -10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.766 6.534 -9.669 1.00 0.00 H new ATOM 644 N ILE A 44 -7.397 5.939 -7.077 1.00 0.00 N ATOM 645 CA ILE A 44 -6.788 6.565 -5.960 1.00 0.00 C ATOM 646 C ILE A 44 -6.041 5.509 -5.133 1.00 0.00 C ATOM 647 O ILE A 44 -4.953 5.752 -4.705 1.00 0.00 O ATOM 648 CB ILE A 44 -7.834 7.294 -5.121 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.561 8.335 -5.980 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.175 7.975 -3.914 1.00 0.00 C ATOM 651 CD1 ILE A 44 -9.805 8.852 -5.344 1.00 0.00 C ATOM 0 H ILE A 44 -8.397 5.767 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.070 7.310 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.558 6.565 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.887 9.169 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.810 7.892 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.935 8.490 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.686 7.223 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.435 8.696 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.272 9.585 -6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.496 8.027 -5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.558 9.324 -4.393 1.00 0.00 H new ATOM 663 N VAL A 45 -6.641 4.325 -4.956 1.00 0.00 N ATOM 664 CA VAL A 45 -5.988 3.189 -4.233 1.00 0.00 C ATOM 665 C VAL A 45 -4.569 2.904 -4.798 1.00 0.00 C ATOM 666 O VAL A 45 -3.577 2.827 -4.047 1.00 0.00 O ATOM 667 CB VAL A 45 -6.871 1.876 -4.278 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.180 0.705 -3.604 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.206 2.095 -3.603 1.00 0.00 C ATOM 0 H VAL A 45 -7.578 4.113 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.892 3.491 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.020 1.643 -5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.821 -0.175 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.237 0.499 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.986 0.949 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.792 1.177 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.046 2.372 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.744 2.895 -4.112 1.00 0.00 H new ATOM 679 N GLU A 46 -4.483 2.800 -6.111 1.00 0.00 N ATOM 680 CA GLU A 46 -3.219 2.596 -6.791 1.00 0.00 C ATOM 681 C GLU A 46 -2.311 3.795 -6.677 1.00 0.00 C ATOM 682 O GLU A 46 -1.110 3.622 -6.523 1.00 0.00 O ATOM 683 CB GLU A 46 -3.426 2.191 -8.234 1.00 0.00 C ATOM 684 CG GLU A 46 -4.378 3.073 -8.979 1.00 0.00 C ATOM 685 CD GLU A 46 -4.382 2.797 -10.434 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.023 1.814 -10.851 1.00 0.00 O ATOM 687 OE2 GLU A 46 -3.763 3.562 -11.206 1.00 0.00 O ATOM 0 H GLU A 46 -5.288 2.855 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.717 1.771 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.463 2.198 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.796 1.166 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.384 2.934 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.110 4.116 -8.810 1.00 0.00 H new ATOM 694 N SER A 47 -2.863 5.015 -6.709 1.00 0.00 N ATOM 695 CA SER A 47 -2.029 6.181 -6.553 1.00 0.00 C ATOM 696 C SER A 47 -1.526 6.337 -5.108 1.00 0.00 C ATOM 697 O SER A 47 -0.499 6.943 -4.868 1.00 0.00 O ATOM 698 CB SER A 47 -2.676 7.458 -7.114 1.00 0.00 C ATOM 699 OG SER A 47 -4.018 7.626 -6.674 1.00 0.00 O ATOM 0 H SER A 47 -3.857 5.203 -6.838 1.00 0.00 H new ATOM 0 HA SER A 47 -1.144 6.018 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.087 8.323 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.656 7.424 -8.203 1.00 0.00 H new ATOM 0 HG SER A 47 -4.622 7.142 -7.275 1.00 0.00 H new ATOM 705 N VAL A 48 -2.253 5.755 -4.156 1.00 0.00 N ATOM 706 CA VAL A 48 -1.830 5.671 -2.763 1.00 0.00 C ATOM 707 C VAL A 48 -0.566 4.823 -2.694 1.00 0.00 C ATOM 708 O VAL A 48 0.415 5.202 -2.069 1.00 0.00 O ATOM 709 CB VAL A 48 -2.939 5.033 -1.843 1.00 0.00 C ATOM 710 CG1 VAL A 48 -2.417 4.828 -0.435 1.00 0.00 C ATOM 711 CG2 VAL A 48 -4.184 5.911 -1.789 1.00 0.00 C ATOM 0 H VAL A 48 -3.161 5.325 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.646 6.682 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.203 4.069 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.199 4.387 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.555 4.161 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.121 5.788 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.931 5.444 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.922 6.890 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.591 6.027 -2.793 1.00 0.00 H new ATOM 721 N ALA A 49 -0.580 3.725 -3.422 1.00 0.00 N ATOM 722 CA ALA A 49 0.552 2.815 -3.497 1.00 0.00 C ATOM 723 C ALA A 49 1.641 3.364 -4.430 1.00 0.00 C ATOM 724 O ALA A 49 2.669 2.751 -4.636 1.00 0.00 O ATOM 725 CB ALA A 49 0.098 1.441 -3.934 1.00 0.00 C ATOM 0 H ALA A 49 -1.381 3.434 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 49 0.987 2.728 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.958 0.773 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.623 1.051 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.368 1.507 -4.917 1.00 0.00 H new ATOM 731 N ASP A 50 1.401 4.539 -4.963 1.00 0.00 N ATOM 732 CA ASP A 50 2.351 5.248 -5.817 1.00 0.00 C ATOM 733 C ASP A 50 3.123 6.221 -4.937 1.00 0.00 C ATOM 734 O ASP A 50 3.949 7.021 -5.385 1.00 0.00 O ATOM 735 CB ASP A 50 1.603 5.981 -6.949 1.00 0.00 C ATOM 736 CG ASP A 50 2.488 6.791 -7.882 1.00 0.00 C ATOM 737 OD1 ASP A 50 3.287 6.195 -8.638 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.345 8.028 -7.925 1.00 0.00 O ATOM 0 H ASP A 50 0.528 5.046 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 50 3.045 4.553 -6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.056 5.246 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.864 6.647 -6.504 1.00 0.00 H new ATOM 743 N ASN A 51 2.864 6.107 -3.662 1.00 0.00 N ATOM 744 CA ASN A 51 3.524 6.888 -2.662 1.00 0.00 C ATOM 745 C ASN A 51 4.350 5.954 -1.873 1.00 0.00 C ATOM 746 O ASN A 51 4.102 4.758 -1.892 1.00 0.00 O ATOM 747 CB ASN A 51 2.545 7.533 -1.685 1.00 0.00 C ATOM 748 CG ASN A 51 1.712 8.654 -2.235 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.112 9.814 -2.196 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.549 8.332 -2.702 1.00 0.00 N ATOM 0 H ASN A 51 2.175 5.455 -3.287 1.00 0.00 H new ATOM 0 HA ASN A 51 4.090 7.676 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.875 6.760 -1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.109 7.910 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.076 9.056 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.257 7.355 -2.715 1.00 0.00 H new ATOM 757 N TRP A 52 5.287 6.461 -1.165 1.00 0.00 N ATOM 758 CA TRP A 52 6.087 5.627 -0.335 1.00 0.00 C ATOM 759 C TRP A 52 5.569 5.729 1.070 1.00 0.00 C ATOM 760 O TRP A 52 5.609 6.797 1.689 1.00 0.00 O ATOM 761 CB TRP A 52 7.558 5.984 -0.443 1.00 0.00 C ATOM 762 CG TRP A 52 8.020 5.927 -1.862 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.337 4.818 -2.574 1.00 0.00 C ATOM 764 CD2 TRP A 52 8.170 7.031 -2.746 1.00 0.00 C ATOM 765 NE1 TRP A 52 8.668 5.167 -3.860 1.00 0.00 N ATOM 766 CE2 TRP A 52 8.581 6.527 -3.986 1.00 0.00 C ATOM 767 CE3 TRP A 52 7.994 8.402 -2.603 1.00 0.00 C ATOM 768 CZ2 TRP A 52 8.815 7.359 -5.083 1.00 0.00 C ATOM 769 CZ3 TRP A 52 8.229 9.221 -3.672 1.00 0.00 C ATOM 770 CH2 TRP A 52 8.635 8.704 -4.903 1.00 0.00 C ATOM 0 H TRP A 52 5.524 7.453 -1.139 1.00 0.00 H new ATOM 0 HA TRP A 52 6.015 4.590 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.723 6.984 -0.043 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.148 5.297 0.163 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.330 3.810 -2.187 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.935 4.519 -4.601 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.675 8.816 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.126 6.957 -6.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.098 10.287 -3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 52 8.810 9.377 -5.729 1.00 0.00 H new ATOM 781 N LEU A 53 5.049 4.648 1.539 1.00 0.00 N ATOM 782 CA LEU A 53 4.390 4.578 2.818 1.00 0.00 C ATOM 783 C LEU A 53 4.667 3.214 3.457 1.00 0.00 C ATOM 784 O LEU A 53 5.123 2.293 2.797 1.00 0.00 O ATOM 785 CB LEU A 53 2.855 4.869 2.672 1.00 0.00 C ATOM 786 CG LEU A 53 1.933 3.816 1.995 1.00 0.00 C ATOM 787 CD1 LEU A 53 0.517 4.362 1.958 1.00 0.00 C ATOM 788 CD2 LEU A 53 2.379 3.458 0.572 1.00 0.00 C ATOM 0 H LEU A 53 5.065 3.759 1.038 1.00 0.00 H new ATOM 0 HA LEU A 53 4.788 5.348 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.462 5.052 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.751 5.800 2.114 1.00 0.00 H new ATOM 0 HG LEU A 53 1.989 2.900 2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.142 3.633 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.175 4.555 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.500 5.291 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.697 2.719 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.370 4.354 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.388 3.046 0.600 1.00 0.00 H new ATOM 800 N THR A 54 4.362 3.078 4.709 1.00 0.00 N ATOM 801 CA THR A 54 4.745 1.905 5.451 1.00 0.00 C ATOM 802 C THR A 54 3.582 0.909 5.645 1.00 0.00 C ATOM 803 O THR A 54 2.420 1.270 5.470 1.00 0.00 O ATOM 804 CB THR A 54 5.287 2.367 6.813 1.00 0.00 C ATOM 805 OG1 THR A 54 4.341 3.248 7.425 1.00 0.00 O ATOM 806 CG2 THR A 54 6.599 3.090 6.632 1.00 0.00 C ATOM 0 H THR A 54 3.843 3.770 5.249 1.00 0.00 H new ATOM 0 HA THR A 54 5.506 1.369 4.884 1.00 0.00 H new ATOM 0 HB THR A 54 5.446 1.495 7.448 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.683 3.543 8.295 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.974 3.413 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.323 2.420 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.450 3.961 5.993 1.00 0.00 H new ATOM 814 N PRO A 55 3.873 -0.370 6.036 1.00 0.00 N ATOM 815 CA PRO A 55 2.833 -1.380 6.309 1.00 0.00 C ATOM 816 C PRO A 55 1.848 -0.929 7.412 1.00 0.00 C ATOM 817 O PRO A 55 0.657 -1.282 7.396 1.00 0.00 O ATOM 818 CB PRO A 55 3.634 -2.607 6.781 1.00 0.00 C ATOM 819 CG PRO A 55 4.974 -2.421 6.183 1.00 0.00 C ATOM 820 CD PRO A 55 5.226 -0.943 6.183 1.00 0.00 C ATOM 0 HA PRO A 55 2.215 -1.568 5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.687 -2.653 7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.174 -3.536 6.445 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.735 -2.946 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.008 -2.822 5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.704 -0.616 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.880 -0.646 5.363 1.00 0.00 H new ATOM 828 N THR A 56 2.345 -0.131 8.352 1.00 0.00 N ATOM 829 CA THR A 56 1.522 0.386 9.432 1.00 0.00 C ATOM 830 C THR A 56 0.613 1.512 8.904 1.00 0.00 C ATOM 831 O THR A 56 -0.552 1.648 9.313 1.00 0.00 O ATOM 832 CB THR A 56 2.385 0.848 10.668 1.00 0.00 C ATOM 833 OG1 THR A 56 1.565 1.322 11.744 1.00 0.00 O ATOM 834 CG2 THR A 56 3.378 1.934 10.281 1.00 0.00 C ATOM 0 H THR A 56 3.319 0.171 8.384 1.00 0.00 H new ATOM 0 HA THR A 56 0.889 -0.422 9.797 1.00 0.00 H new ATOM 0 HB THR A 56 2.932 -0.032 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.135 1.598 12.492 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.955 2.228 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.052 1.554 9.513 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.839 2.799 9.895 1.00 0.00 H new ATOM 842 N ASP A 57 1.069 2.220 7.878 1.00 0.00 N ATOM 843 CA ASP A 57 0.263 3.282 7.328 1.00 0.00 C ATOM 844 C ASP A 57 -0.721 2.699 6.357 1.00 0.00 C ATOM 845 O ASP A 57 -1.802 3.213 6.179 1.00 0.00 O ATOM 846 CB ASP A 57 1.125 4.362 6.685 1.00 0.00 C ATOM 847 CG ASP A 57 0.354 5.644 6.453 1.00 0.00 C ATOM 848 OD1 ASP A 57 0.047 6.351 7.445 1.00 0.00 O ATOM 849 OD2 ASP A 57 0.056 5.985 5.299 1.00 0.00 O ATOM 0 H ASP A 57 1.972 2.077 7.425 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.286 3.770 8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.984 4.567 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.514 3.997 5.735 1.00 0.00 H new ATOM 854 N TRP A 58 -0.330 1.594 5.759 1.00 0.00 N ATOM 855 CA TRP A 58 -1.204 0.802 4.924 1.00 0.00 C ATOM 856 C TRP A 58 -2.474 0.407 5.698 1.00 0.00 C ATOM 857 O TRP A 58 -3.582 0.751 5.294 1.00 0.00 O ATOM 858 CB TRP A 58 -0.480 -0.452 4.394 1.00 0.00 C ATOM 859 CG TRP A 58 0.032 -0.353 2.981 1.00 0.00 C ATOM 860 CD1 TRP A 58 -0.111 0.688 2.114 1.00 0.00 C ATOM 861 CD2 TRP A 58 0.732 -1.376 2.252 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.465 0.378 0.910 1.00 0.00 N ATOM 863 CE2 TRP A 58 0.988 -0.871 0.971 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.174 -2.666 2.569 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.663 -1.609 0.002 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.836 -3.398 1.609 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.076 -2.872 0.342 1.00 0.00 C ATOM 0 H TRP A 58 0.614 1.217 5.841 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.494 1.409 4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.360 -0.671 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.163 -1.299 4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.606 1.621 2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.495 0.991 0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.999 -3.080 3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.854 -1.202 -0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.175 -4.397 1.842 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.599 -3.472 -0.389 1.00 0.00 H new ATOM 878 N ASN A 59 -2.321 -0.259 6.833 1.00 0.00 N ATOM 879 CA ASN A 59 -3.496 -0.649 7.646 1.00 0.00 C ATOM 880 C ASN A 59 -4.280 0.565 8.125 1.00 0.00 C ATOM 881 O ASN A 59 -5.514 0.537 8.176 1.00 0.00 O ATOM 882 CB ASN A 59 -3.118 -1.577 8.825 1.00 0.00 C ATOM 883 CG ASN A 59 -2.937 -3.044 8.395 1.00 0.00 C ATOM 884 OD1 ASN A 59 -2.614 -3.353 7.227 1.00 0.00 O ATOM 885 ND2 ASN A 59 -3.155 -3.945 9.310 1.00 0.00 N ATOM 0 H ASN A 59 -1.420 -0.543 7.218 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.148 -1.224 6.988 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.194 -1.220 9.281 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.893 -1.520 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.064 -4.935 9.083 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.417 -3.660 10.254 1.00 0.00 H new ATOM 892 N THR A 60 -3.564 1.649 8.349 1.00 0.00 N ATOM 893 CA THR A 60 -4.210 2.867 8.822 1.00 0.00 C ATOM 894 C THR A 60 -5.067 3.472 7.678 1.00 0.00 C ATOM 895 O THR A 60 -6.205 3.941 7.909 1.00 0.00 O ATOM 896 CB THR A 60 -3.155 3.878 9.350 1.00 0.00 C ATOM 897 OG1 THR A 60 -2.348 3.233 10.361 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.824 5.102 9.962 1.00 0.00 C ATOM 0 H THR A 60 -2.555 1.717 8.216 1.00 0.00 H new ATOM 0 HA THR A 60 -4.869 2.630 9.657 1.00 0.00 H new ATOM 0 HB THR A 60 -2.538 4.201 8.511 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.535 2.872 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.061 5.792 10.323 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.434 5.598 9.208 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.456 4.793 10.794 1.00 0.00 H new ATOM 906 N LEU A 61 -4.543 3.335 6.440 1.00 0.00 N ATOM 907 CA LEU A 61 -5.143 3.877 5.227 1.00 0.00 C ATOM 908 C LEU A 61 -6.462 3.215 4.983 1.00 0.00 C ATOM 909 O LEU A 61 -7.494 3.873 5.059 1.00 0.00 O ATOM 910 CB LEU A 61 -4.157 3.670 4.029 1.00 0.00 C ATOM 911 CG LEU A 61 -4.450 4.319 2.650 1.00 0.00 C ATOM 912 CD1 LEU A 61 -5.565 3.645 1.879 1.00 0.00 C ATOM 913 CD2 LEU A 61 -4.705 5.806 2.770 1.00 0.00 C ATOM 0 H LEU A 61 -3.673 2.832 6.266 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.323 4.946 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.179 4.026 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.068 2.596 3.867 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.541 4.168 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.710 4.156 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.302 2.603 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.487 3.690 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.906 6.222 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.565 5.977 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.828 6.292 3.197 1.00 0.00 H new ATOM 925 N VAL A 62 -6.410 1.898 4.754 1.00 0.00 N ATOM 926 CA VAL A 62 -7.594 1.098 4.438 1.00 0.00 C ATOM 927 C VAL A 62 -8.695 1.303 5.442 1.00 0.00 C ATOM 928 O VAL A 62 -9.860 1.518 5.063 1.00 0.00 O ATOM 929 CB VAL A 62 -7.258 -0.431 4.300 1.00 0.00 C ATOM 930 CG1 VAL A 62 -6.440 -0.922 5.479 1.00 0.00 C ATOM 931 CG2 VAL A 62 -8.530 -1.261 4.184 1.00 0.00 C ATOM 0 H VAL A 62 -5.545 1.359 4.783 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.948 1.451 3.469 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.670 -0.551 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.223 -1.983 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.505 -0.364 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.003 -0.772 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.269 -2.315 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.141 -1.117 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.091 -0.946 3.304 1.00 0.00 H new ATOM 941 N ARG A 63 -8.316 1.266 6.705 1.00 0.00 N ATOM 942 CA ARG A 63 -9.285 1.403 7.785 1.00 0.00 C ATOM 943 C ARG A 63 -10.007 2.720 7.766 1.00 0.00 C ATOM 944 O ARG A 63 -11.219 2.758 7.587 1.00 0.00 O ATOM 945 CB ARG A 63 -8.624 1.250 9.122 1.00 0.00 C ATOM 946 CG ARG A 63 -8.153 -0.129 9.396 1.00 0.00 C ATOM 947 CD ARG A 63 -7.565 -0.206 10.761 1.00 0.00 C ATOM 948 NE ARG A 63 -8.571 -0.030 11.816 1.00 0.00 N ATOM 949 CZ ARG A 63 -8.295 0.007 13.121 1.00 0.00 C ATOM 950 NH1 ARG A 63 -7.029 0.112 13.529 1.00 0.00 N ATOM 951 NH2 ARG A 63 -9.276 -0.001 14.002 1.00 0.00 N ATOM 0 H ARG A 63 -7.351 1.143 7.011 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.014 0.609 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.776 1.933 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.326 1.547 9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.984 -0.829 9.309 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.410 -0.422 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.075 -1.171 10.888 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.796 0.559 10.866 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.546 0.071 11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.275 0.164 12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.815 0.141 14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.245 -0.035 13.686 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.066 0.027 15.000 1.00 0.00 H new ATOM 965 N ALA A 64 -9.304 3.782 8.101 1.00 0.00 N ATOM 966 CA ALA A 64 -9.815 5.148 7.995 1.00 0.00 C ATOM 967 C ALA A 64 -10.668 5.384 6.736 1.00 0.00 C ATOM 968 O ALA A 64 -11.825 5.826 6.847 1.00 0.00 O ATOM 969 CB ALA A 64 -8.664 6.157 8.033 1.00 0.00 C ATOM 0 H ALA A 64 -8.350 3.729 8.459 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.468 5.293 8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.064 7.168 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.121 6.055 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.987 5.968 7.200 1.00 0.00 H new ATOM 975 N VAL A 65 -10.082 5.131 5.595 1.00 0.00 N ATOM 976 CA VAL A 65 -10.774 5.380 4.323 1.00 0.00 C ATOM 977 C VAL A 65 -12.125 4.644 4.136 1.00 0.00 C ATOM 978 O VAL A 65 -13.148 5.308 3.968 1.00 0.00 O ATOM 979 CB VAL A 65 -9.894 5.275 3.042 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.682 6.184 3.120 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.484 3.854 2.713 1.00 0.00 C ATOM 0 H VAL A 65 -9.138 4.757 5.503 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.018 6.436 4.438 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.525 5.614 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.092 6.083 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.009 7.218 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.072 5.905 3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.873 3.851 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.909 3.440 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.374 3.247 2.550 1.00 0.00 H new ATOM 991 N LEU A 66 -12.171 3.320 4.210 1.00 0.00 N ATOM 992 CA LEU A 66 -13.401 2.610 3.870 1.00 0.00 C ATOM 993 C LEU A 66 -13.848 1.807 5.115 1.00 0.00 C ATOM 994 O LEU A 66 -13.233 1.940 6.161 1.00 0.00 O ATOM 995 CB LEU A 66 -13.127 1.724 2.613 1.00 0.00 C ATOM 996 CG LEU A 66 -14.232 1.623 1.493 1.00 0.00 C ATOM 997 CD1 LEU A 66 -13.690 0.958 0.268 1.00 0.00 C ATOM 998 CD2 LEU A 66 -15.504 0.923 1.952 1.00 0.00 C ATOM 0 H LEU A 66 -11.392 2.726 4.495 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.218 3.283 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.215 2.093 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.919 0.713 2.962 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.511 2.650 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.471 0.900 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.851 1.536 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.353 -0.048 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.219 0.891 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.267 -0.093 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.939 1.470 2.789 1.00 0.00 H new ATOM 1010 N SER A 67 -14.933 1.055 5.050 1.00 0.00 N ATOM 1011 CA SER A 67 -15.418 0.331 6.203 1.00 0.00 C ATOM 1012 C SER A 67 -16.235 -0.864 5.762 1.00 0.00 C ATOM 1013 O SER A 67 -16.941 -0.794 4.749 1.00 0.00 O ATOM 1014 CB SER A 67 -16.310 1.257 7.055 1.00 0.00 C ATOM 1015 OG SER A 67 -15.626 2.456 7.411 1.00 0.00 O ATOM 0 H SER A 67 -15.493 0.932 4.207 1.00 0.00 H new ATOM 0 HA SER A 67 -14.564 -0.009 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 67 -17.215 1.504 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 67 -16.623 0.733 7.958 1.00 0.00 H new ATOM 0 HG SER A 67 -16.218 3.023 7.949 1.00 0.00 H new ATOM 1021 N GLY A 68 -16.094 -1.955 6.462 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.939 -3.099 6.217 1.00 0.00 C ATOM 1023 C GLY A 68 -16.356 -4.046 5.194 1.00 0.00 C ATOM 1024 O GLY A 68 -15.640 -4.991 5.535 1.00 0.00 O ATOM 0 H GLY A 68 -15.406 -2.080 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.099 -3.635 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.916 -2.757 5.875 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.627 -3.779 3.951 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.161 -4.648 2.881 1.00 0.00 C ATOM 1030 C GLY A 69 -14.671 -4.559 2.668 1.00 0.00 C ATOM 1031 O GLY A 69 -14.053 -5.499 2.145 1.00 0.00 O ATOM 0 H GLY A 69 -17.167 -2.971 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.430 -5.679 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.673 -4.385 1.955 1.00 0.00 H new ATOM 1035 N ASP A 70 -14.104 -3.436 3.112 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.688 -3.093 2.967 1.00 0.00 C ATOM 1037 C ASP A 70 -11.832 -4.234 3.458 1.00 0.00 C ATOM 1038 O ASP A 70 -11.077 -4.847 2.695 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.377 -1.759 3.729 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.424 -1.830 5.280 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.348 -2.456 5.853 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.545 -1.306 5.933 1.00 0.00 O ATOM 0 H ASP A 70 -14.636 -2.715 3.599 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.455 -2.932 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.386 -1.417 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.088 -1.002 3.399 1.00 0.00 H new ATOM 1047 N HIS A 71 -12.066 -4.562 4.684 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.426 -5.599 5.399 1.00 0.00 C ATOM 1049 C HIS A 71 -11.529 -6.904 4.664 1.00 0.00 C ATOM 1050 O HIS A 71 -10.519 -7.477 4.253 1.00 0.00 O ATOM 1051 CB HIS A 71 -12.058 -5.694 6.787 1.00 0.00 C ATOM 1052 CG HIS A 71 -11.475 -4.777 7.812 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -11.811 -3.445 7.923 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -10.585 -5.010 8.805 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -11.159 -2.915 8.931 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -10.413 -3.838 9.479 1.00 0.00 N ATOM 0 H HIS A 71 -12.761 -4.073 5.248 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.364 -5.375 5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -13.124 -5.485 6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.963 -6.720 7.143 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -12.464 -2.949 7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.101 -5.951 9.023 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.227 -1.887 9.254 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.734 -7.333 4.419 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.930 -8.595 3.798 1.00 0.00 C ATOM 1067 C LEU A 72 -12.367 -8.730 2.385 1.00 0.00 C ATOM 1068 O LEU A 72 -11.520 -9.583 2.167 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.316 -9.239 4.061 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.590 -8.378 3.988 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.976 -8.044 2.563 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.740 -9.078 4.700 1.00 0.00 C ATOM 0 H LEU A 72 -13.589 -6.823 4.642 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.262 -9.259 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.435 -10.055 3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.283 -9.686 5.055 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.375 -7.436 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.880 -7.436 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.167 -7.490 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.159 -8.965 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.635 -8.459 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.932 -10.039 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.477 -9.238 5.746 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.719 -7.881 1.454 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.150 -8.075 0.100 1.00 0.00 C ATOM 1086 C LEU A 73 -10.742 -7.535 -0.049 1.00 0.00 C ATOM 1087 O LEU A 73 -9.826 -8.333 -0.324 1.00 0.00 O ATOM 1088 CB LEU A 73 -13.024 -7.583 -1.036 1.00 0.00 C ATOM 1089 CG LEU A 73 -14.135 -8.526 -1.587 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.621 -9.912 -1.923 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -15.350 -8.592 -0.693 1.00 0.00 C ATOM 0 H LEU A 73 -13.353 -7.091 1.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.108 -9.161 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.505 -6.662 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.369 -7.322 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.455 -8.070 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.441 -10.522 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.843 -9.837 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.209 -10.375 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.088 -9.264 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.059 -8.963 0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.782 -7.596 -0.592 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.538 -6.189 0.153 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.221 -5.594 0.060 1.00 0.00 C ATOM 1105 C TRP A 74 -8.231 -6.352 0.933 1.00 0.00 C ATOM 1106 O TRP A 74 -7.191 -6.756 0.524 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.205 -4.127 0.568 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.874 -2.993 -0.213 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.745 -3.018 -1.259 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.593 -1.622 0.011 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.085 -1.727 -1.629 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.392 -0.852 -0.831 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.751 -1.015 0.876 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.365 0.555 -0.812 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.688 0.382 0.914 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.508 1.159 0.083 1.00 0.00 C ATOM 0 H TRP A 74 -11.282 -5.529 0.378 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.949 -5.633 -0.995 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.654 -4.133 1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.159 -3.849 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.117 -3.915 -1.732 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.739 -1.471 -2.369 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.130 -1.605 1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.990 1.138 -1.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.000 0.867 1.591 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.468 2.236 0.145 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.597 -6.554 2.119 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.659 -7.030 3.101 1.00 0.00 C ATOM 1129 C LYS A 75 -7.468 -8.489 3.220 1.00 0.00 C ATOM 1130 O LYS A 75 -6.330 -8.922 3.358 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.796 -6.318 4.385 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.700 -4.844 4.156 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.285 -4.387 3.815 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.449 -4.375 5.105 1.00 0.00 C ATOM 1135 NZ LYS A 75 -4.114 -3.755 4.966 1.00 0.00 N ATOM 0 H LYS A 75 -9.544 -6.404 2.466 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.692 -6.756 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.752 -6.562 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.017 -6.640 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.372 -4.563 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.040 -4.320 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.838 -5.057 3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.306 -3.393 3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.004 -3.843 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.325 -5.401 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.818 -3.359 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.427 -4.474 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.156 -2.995 4.257 1.00 0.00 H new ATOM 1149 N SER A 76 -8.519 -9.264 3.161 1.00 0.00 N ATOM 1150 CA SER A 76 -8.330 -10.680 3.308 1.00 0.00 C ATOM 1151 C SER A 76 -7.605 -11.223 2.097 1.00 0.00 C ATOM 1152 O SER A 76 -6.750 -12.115 2.215 1.00 0.00 O ATOM 1153 CB SER A 76 -9.639 -11.394 3.609 1.00 0.00 C ATOM 1154 OG SER A 76 -10.248 -10.844 4.792 1.00 0.00 O ATOM 0 H SER A 76 -9.480 -8.953 3.018 1.00 0.00 H new ATOM 0 HA SER A 76 -7.699 -10.874 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.318 -11.295 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.456 -12.460 3.748 1.00 0.00 H new ATOM 0 HG SER A 76 -11.090 -11.311 4.974 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.845 -10.603 0.945 1.00 0.00 N ATOM 1161 CA GLU A 77 -7.131 -11.004 -0.242 1.00 0.00 C ATOM 1162 C GLU A 77 -5.751 -10.394 -0.210 1.00 0.00 C ATOM 1163 O GLU A 77 -4.842 -10.931 -0.804 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.868 -10.576 -1.488 1.00 0.00 C ATOM 1165 CG GLU A 77 -7.749 -11.539 -2.705 1.00 0.00 C ATOM 1166 CD GLU A 77 -6.383 -11.570 -3.350 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -5.944 -10.526 -3.807 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -5.746 -12.650 -3.410 1.00 0.00 O ATOM 0 H GLU A 77 -8.512 -9.842 0.818 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.053 -12.091 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.923 -10.459 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.500 -9.595 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.006 -12.547 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.484 -11.248 -3.455 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.581 -9.271 0.516 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.283 -8.671 0.635 1.00 0.00 C ATOM 1177 C PHE A 78 -3.323 -9.675 1.207 1.00 0.00 C ATOM 1178 O PHE A 78 -2.250 -9.890 0.673 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.332 -7.396 1.499 1.00 0.00 C ATOM 1180 CG PHE A 78 -3.000 -6.791 1.812 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -2.264 -6.131 0.845 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.494 -6.872 3.096 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -1.043 -5.568 1.163 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -1.283 -6.321 3.416 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.556 -5.669 2.457 1.00 0.00 C ATOM 0 H PHE A 78 -6.327 -8.785 1.013 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.940 -8.372 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.941 -6.651 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.837 -7.630 2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.645 -6.055 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.065 -7.379 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.470 -5.051 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.902 -6.400 4.423 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.399 -5.232 2.709 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.759 -10.339 2.244 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.955 -11.346 2.887 1.00 0.00 C ATOM 1197 C PHE A 79 -2.738 -12.540 1.986 1.00 0.00 C ATOM 1198 O PHE A 79 -1.618 -13.078 1.913 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.585 -11.748 4.205 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.566 -10.630 5.206 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.366 -10.150 5.695 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.734 -10.044 5.652 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -2.329 -9.113 6.599 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.703 -9.005 6.560 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.494 -8.541 7.031 1.00 0.00 C ATOM 0 H PHE A 79 -4.677 -10.199 2.666 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.971 -10.924 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.614 -12.062 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.053 -12.608 4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.441 -10.597 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.684 -10.403 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.380 -8.751 6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.625 -8.557 6.901 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.466 -7.727 7.740 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.780 -12.917 1.260 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.711 -14.031 0.353 1.00 0.00 C ATOM 1217 C GLU A 80 -2.691 -13.800 -0.744 1.00 0.00 C ATOM 1218 O GLU A 80 -1.749 -14.584 -0.883 1.00 0.00 O ATOM 1219 CB GLU A 80 -5.084 -14.359 -0.245 1.00 0.00 C ATOM 1220 CG GLU A 80 -6.091 -14.849 0.789 1.00 0.00 C ATOM 1221 CD GLU A 80 -7.423 -15.217 0.195 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -7.455 -15.762 -0.927 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -8.462 -15.033 0.871 1.00 0.00 O ATOM 0 H GLU A 80 -4.689 -12.456 1.289 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.384 -14.892 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.481 -13.470 -0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.964 -15.121 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.679 -15.716 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.238 -14.072 1.539 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.823 -12.698 -1.475 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.941 -12.468 -2.597 1.00 0.00 C ATOM 1232 C ASN A 81 -0.527 -12.121 -2.161 1.00 0.00 C ATOM 1233 O ASN A 81 0.429 -12.410 -2.898 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.458 -11.466 -3.650 1.00 0.00 C ATOM 1235 CG ASN A 81 -2.457 -10.009 -3.251 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -1.419 -9.378 -3.244 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.610 -9.427 -3.101 1.00 0.00 N ATOM 0 H ASN A 81 -3.518 -11.969 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.921 -13.431 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.852 -11.574 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.477 -11.746 -3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.658 -8.416 -2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.466 -9.981 -3.111 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.368 -11.523 -0.967 1.00 0.00 N ATOM 1245 CA CYS A 82 0.977 -11.243 -0.449 1.00 0.00 C ATOM 1246 C CYS A 82 1.742 -12.525 -0.236 1.00 0.00 C ATOM 1247 O CYS A 82 2.845 -12.676 -0.729 1.00 0.00 O ATOM 1248 CB CYS A 82 0.949 -10.425 0.854 1.00 0.00 C ATOM 1249 SG CYS A 82 0.357 -8.736 0.671 1.00 0.00 S ATOM 0 H CYS A 82 -1.133 -11.232 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 82 1.483 -10.639 -1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.317 -10.941 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.955 -10.399 1.272 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.933 -8.743 0.509 1.00 0.00 H new ATOM 1255 N ARG A 83 1.119 -13.477 0.416 1.00 0.00 N ATOM 1256 CA ARG A 83 1.787 -14.723 0.748 1.00 0.00 C ATOM 1257 C ARG A 83 1.947 -15.593 -0.487 1.00 0.00 C ATOM 1258 O ARG A 83 2.898 -16.335 -0.615 1.00 0.00 O ATOM 1259 CB ARG A 83 1.058 -15.434 1.891 1.00 0.00 C ATOM 1260 CG ARG A 83 1.018 -14.586 3.148 1.00 0.00 C ATOM 1261 CD ARG A 83 2.412 -14.311 3.700 1.00 0.00 C ATOM 1262 NE ARG A 83 2.396 -13.193 4.645 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.377 -13.309 5.965 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.433 -14.507 6.552 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.289 -12.232 6.694 1.00 0.00 N ATOM 0 H ARG A 83 0.150 -13.418 0.729 1.00 0.00 H new ATOM 0 HA ARG A 83 2.794 -14.506 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.041 -15.672 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.555 -16.380 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.522 -13.640 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.421 -15.092 3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.792 -15.204 4.196 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.093 -14.087 2.879 1.00 0.00 H new ATOM 0 HE ARG A 83 2.400 -12.250 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.492 -15.352 5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.417 -14.578 7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.236 -11.317 6.247 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.273 -12.305 7.711 1.00 0.00 H new ATOM 1279 N ASP A 84 1.037 -15.428 -1.403 1.00 0.00 N ATOM 1280 CA ASP A 84 1.038 -16.121 -2.682 1.00 0.00 C ATOM 1281 C ASP A 84 2.282 -15.718 -3.454 1.00 0.00 C ATOM 1282 O ASP A 84 3.148 -16.566 -3.819 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.175 -15.623 -3.448 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.584 -16.467 -4.619 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -1.311 -17.469 -4.414 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.225 -16.130 -5.748 1.00 0.00 O ATOM 0 H ASP A 84 0.247 -14.793 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 84 1.018 -17.202 -2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.017 -15.555 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.029 -14.613 -3.803 1.00 0.00 H new ATOM 1291 N THR A 85 2.395 -14.421 -3.644 1.00 0.00 N ATOM 1292 CA THR A 85 3.477 -13.829 -4.357 1.00 0.00 C ATOM 1293 C THR A 85 4.786 -14.114 -3.615 1.00 0.00 C ATOM 1294 O THR A 85 5.813 -14.431 -4.244 1.00 0.00 O ATOM 1295 CB THR A 85 3.207 -12.321 -4.474 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.925 -12.130 -5.151 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.303 -11.598 -5.245 1.00 0.00 C ATOM 0 H THR A 85 1.716 -13.745 -3.295 1.00 0.00 H new ATOM 0 HA THR A 85 3.566 -14.248 -5.359 1.00 0.00 H new ATOM 0 HB THR A 85 3.186 -11.898 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.197 -12.195 -4.498 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.068 -10.535 -5.301 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.256 -11.732 -4.734 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.371 -12.008 -6.252 1.00 0.00 H new ATOM 1305 N ALA A 86 4.708 -14.075 -2.274 1.00 0.00 N ATOM 1306 CA ALA A 86 5.821 -14.397 -1.419 1.00 0.00 C ATOM 1307 C ALA A 86 6.363 -15.755 -1.733 1.00 0.00 C ATOM 1308 O ALA A 86 7.549 -15.880 -1.959 1.00 0.00 O ATOM 1309 CB ALA A 86 5.460 -14.311 0.051 1.00 0.00 C ATOM 0 H ALA A 86 3.861 -13.816 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 86 6.591 -13.651 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.332 -14.563 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.135 -13.298 0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.653 -15.011 0.269 1.00 0.00 H new ATOM 1315 N LYS A 87 5.479 -16.766 -1.791 1.00 0.00 N ATOM 1316 CA LYS A 87 5.883 -18.144 -2.109 1.00 0.00 C ATOM 1317 C LYS A 87 6.708 -18.161 -3.384 1.00 0.00 C ATOM 1318 O LYS A 87 7.756 -18.800 -3.454 1.00 0.00 O ATOM 1319 CB LYS A 87 4.677 -19.081 -2.327 1.00 0.00 C ATOM 1320 CG LYS A 87 3.690 -19.211 -1.171 1.00 0.00 C ATOM 1321 CD LYS A 87 2.581 -20.214 -1.493 1.00 0.00 C ATOM 1322 CE LYS A 87 3.115 -21.653 -1.585 1.00 0.00 C ATOM 1323 NZ LYS A 87 2.083 -22.612 -2.057 1.00 0.00 N ATOM 0 H LYS A 87 4.480 -16.653 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 87 6.457 -18.500 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.130 -18.733 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.057 -20.075 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.220 -19.528 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.250 -18.237 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.810 -20.162 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.109 -19.942 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.968 -21.678 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.477 -21.966 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.492 -23.567 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.279 -22.610 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.755 -22.331 -3.003 1.00 0.00 H new ATOM 1337 N ARG A 88 6.258 -17.399 -4.371 1.00 0.00 N ATOM 1338 CA ARG A 88 6.929 -17.373 -5.680 1.00 0.00 C ATOM 1339 C ARG A 88 8.300 -16.706 -5.620 1.00 0.00 C ATOM 1340 O ARG A 88 9.219 -17.088 -6.354 1.00 0.00 O ATOM 1341 CB ARG A 88 6.054 -16.765 -6.817 1.00 0.00 C ATOM 1342 CG ARG A 88 4.976 -17.706 -7.369 1.00 0.00 C ATOM 1343 CD ARG A 88 3.946 -18.036 -6.318 1.00 0.00 C ATOM 1344 NE ARG A 88 3.033 -19.073 -6.715 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.079 -19.569 -5.933 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.847 -19.029 -4.726 1.00 0.00 N ATOM 1347 NH2 ARG A 88 1.337 -20.567 -6.364 1.00 0.00 N ATOM 0 H ARG A 88 5.440 -16.793 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 88 7.083 -18.421 -5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.572 -15.862 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.706 -16.462 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.488 -17.241 -8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.441 -18.625 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.456 -18.342 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.380 -17.136 -6.081 1.00 0.00 H new ATOM 0 HE ARG A 88 3.123 -19.453 -7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.403 -18.236 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.114 -19.412 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.495 -20.956 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.604 -20.952 -5.768 1.00 0.00 H new ATOM 1361 N ASN A 89 8.457 -15.727 -4.766 1.00 0.00 N ATOM 1362 CA ASN A 89 9.721 -15.057 -4.668 1.00 0.00 C ATOM 1363 C ASN A 89 10.685 -15.718 -3.690 1.00 0.00 C ATOM 1364 O ASN A 89 11.897 -15.608 -3.872 1.00 0.00 O ATOM 1365 CB ASN A 89 9.600 -13.538 -4.459 1.00 0.00 C ATOM 1366 CG ASN A 89 9.117 -12.784 -5.716 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.340 -13.235 -6.859 1.00 0.00 O ATOM 1368 ND2 ASN A 89 8.521 -11.628 -5.533 1.00 0.00 N ATOM 0 H ASN A 89 7.732 -15.382 -4.137 1.00 0.00 H new ATOM 0 HA ASN A 89 10.175 -15.177 -5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.907 -13.345 -3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.569 -13.142 -4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.227 -11.073 -6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.352 -11.285 -4.587 1.00 0.00 H new ATOM 1375 N GLN A 90 10.170 -16.411 -2.657 1.00 0.00 N ATOM 1376 CA GLN A 90 11.049 -17.139 -1.719 1.00 0.00 C ATOM 1377 C GLN A 90 11.727 -18.283 -2.413 1.00 0.00 C ATOM 1378 O GLN A 90 12.907 -18.522 -2.197 1.00 0.00 O ATOM 1379 CB GLN A 90 10.311 -17.676 -0.480 1.00 0.00 C ATOM 1380 CG GLN A 90 9.419 -16.673 0.172 1.00 0.00 C ATOM 1381 CD GLN A 90 10.088 -15.367 0.404 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.280 -15.286 0.706 1.00 0.00 O ATOM 1383 NE2 GLN A 90 9.372 -14.338 0.122 1.00 0.00 N ATOM 0 H GLN A 90 9.173 -16.483 -2.452 1.00 0.00 H new ATOM 0 HA GLN A 90 11.782 -16.410 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.717 -18.543 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.046 -18.022 0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.538 -16.518 -0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.069 -17.071 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.388 -14.453 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.787 -13.407 0.143 1.00 0.00 H new ATOM 1392 N GLN A 91 10.989 -18.975 -3.269 1.00 0.00 N ATOM 1393 CA GLN A 91 11.547 -20.100 -3.994 1.00 0.00 C ATOM 1394 C GLN A 91 12.573 -19.646 -5.039 1.00 0.00 C ATOM 1395 O GLN A 91 13.320 -20.457 -5.595 1.00 0.00 O ATOM 1396 CB GLN A 91 10.449 -20.969 -4.604 1.00 0.00 C ATOM 1397 CG GLN A 91 9.575 -20.272 -5.607 1.00 0.00 C ATOM 1398 CD GLN A 91 8.400 -21.114 -6.018 1.00 0.00 C ATOM 1399 OE1 GLN A 91 8.469 -21.895 -6.960 1.00 0.00 O ATOM 1400 NE2 GLN A 91 7.314 -20.962 -5.325 1.00 0.00 N ATOM 0 H GLN A 91 10.010 -18.777 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 91 12.084 -20.721 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.913 -21.831 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.820 -21.352 -3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.217 -19.333 -5.184 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.165 -20.020 -6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.293 -20.302 -4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.481 -21.502 -5.558 1.00 0.00 H new ATOM 1409 N ALA A 92 12.605 -18.345 -5.295 1.00 0.00 N ATOM 1410 CA ALA A 92 13.593 -17.766 -6.183 1.00 0.00 C ATOM 1411 C ALA A 92 14.776 -17.285 -5.348 1.00 0.00 C ATOM 1412 O ALA A 92 15.923 -17.281 -5.802 1.00 0.00 O ATOM 1413 CB ALA A 92 12.988 -16.611 -6.968 1.00 0.00 C ATOM 0 H ALA A 92 11.952 -17.671 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 92 13.931 -18.515 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.742 -16.187 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.148 -16.974 -7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.640 -15.844 -6.276 1.00 0.00 H new ATOM 1419 N GLY A 93 14.490 -16.904 -4.097 1.00 0.00 N ATOM 1420 CA GLY A 93 15.526 -16.437 -3.211 1.00 0.00 C ATOM 1421 C GLY A 93 15.815 -14.977 -3.433 1.00 0.00 C ATOM 1422 O GLY A 93 16.945 -14.587 -3.692 1.00 0.00 O ATOM 0 H GLY A 93 13.554 -16.915 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.223 -16.597 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.434 -17.018 -3.371 1.00 0.00 H new ATOM 1426 N ASN A 94 14.794 -14.180 -3.382 1.00 0.00 N ATOM 1427 CA ASN A 94 14.913 -12.746 -3.645 1.00 0.00 C ATOM 1428 C ASN A 94 15.149 -11.912 -2.403 1.00 0.00 C ATOM 1429 O ASN A 94 15.725 -10.824 -2.486 1.00 0.00 O ATOM 1430 CB ASN A 94 13.679 -12.235 -4.360 1.00 0.00 C ATOM 1431 CG ASN A 94 13.703 -12.527 -5.831 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.777 -12.558 -6.448 1.00 0.00 O ATOM 1433 ND2 ASN A 94 12.553 -12.728 -6.415 1.00 0.00 N ATOM 0 H ASN A 94 13.847 -14.487 -3.159 1.00 0.00 H new ATOM 0 HA ASN A 94 15.796 -12.636 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.793 -12.690 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.595 -11.159 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.516 -12.919 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.691 -12.694 -5.870 1.00 0.00 H new ATOM 1440 N GLY A 95 14.711 -12.404 -1.264 1.00 0.00 N ATOM 1441 CA GLY A 95 14.831 -11.644 -0.032 1.00 0.00 C ATOM 1442 C GLY A 95 13.768 -10.560 0.042 1.00 0.00 C ATOM 1443 O GLY A 95 13.985 -9.467 0.594 1.00 0.00 O ATOM 0 H GLY A 95 14.272 -13.319 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.734 -12.313 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.821 -11.192 0.027 1.00 0.00 H new ATOM 1447 N TRP A 96 12.618 -10.872 -0.503 1.00 0.00 N ATOM 1448 CA TRP A 96 11.508 -9.955 -0.603 1.00 0.00 C ATOM 1449 C TRP A 96 10.257 -10.677 -0.220 1.00 0.00 C ATOM 1450 O TRP A 96 10.301 -11.859 0.150 1.00 0.00 O ATOM 1451 CB TRP A 96 11.298 -9.430 -2.042 1.00 0.00 C ATOM 1452 CG TRP A 96 12.366 -8.595 -2.627 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.126 -7.666 -1.999 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.749 -8.570 -4.008 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.975 -7.100 -2.884 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.771 -7.642 -4.132 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.328 -9.266 -5.150 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.397 -7.375 -5.352 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 12.949 -8.999 -6.362 1.00 0.00 C ATOM 1460 CH2 TRP A 96 13.979 -8.059 -6.445 1.00 0.00 C ATOM 0 H TRP A 96 12.423 -11.792 -0.899 1.00 0.00 H new ATOM 0 HA TRP A 96 11.729 -9.112 0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.148 -10.290 -2.695 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.374 -8.853 -2.058 1.00 0.00 H new ATOM 0 HD1 TRP A 96 13.063 -7.416 -0.950 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.663 -6.380 -2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.535 -9.996 -5.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.190 -6.645 -5.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.632 -9.524 -7.251 1.00 0.00 H new ATOM 0 HH2 TRP A 96 14.451 -7.874 -7.398 1.00 0.00 H new ATOM 1471 N ASP A 97 9.172 -9.923 -0.223 1.00 0.00 N ATOM 1472 CA ASP A 97 7.796 -10.414 -0.149 1.00 0.00 C ATOM 1473 C ASP A 97 7.317 -10.886 1.192 1.00 0.00 C ATOM 1474 O ASP A 97 6.442 -10.281 1.746 1.00 0.00 O ATOM 1475 CB ASP A 97 7.492 -11.438 -1.227 1.00 0.00 C ATOM 1476 CG ASP A 97 7.640 -10.879 -2.598 1.00 0.00 C ATOM 1477 OD1 ASP A 97 8.780 -10.792 -3.059 1.00 0.00 O ATOM 1478 OD2 ASP A 97 6.637 -10.551 -3.238 1.00 0.00 O ATOM 0 H ASP A 97 9.222 -8.906 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 97 7.214 -9.511 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.159 -12.292 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.475 -11.808 -1.096 1.00 0.00 H new ATOM 1483 N PHE A 98 7.877 -11.942 1.720 1.00 0.00 N ATOM 1484 CA PHE A 98 7.361 -12.486 2.964 1.00 0.00 C ATOM 1485 C PHE A 98 7.431 -11.486 4.129 1.00 0.00 C ATOM 1486 O PHE A 98 6.442 -11.274 4.815 1.00 0.00 O ATOM 1487 CB PHE A 98 7.971 -13.867 3.286 1.00 0.00 C ATOM 1488 CG PHE A 98 7.536 -14.430 4.605 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.276 -14.965 4.738 1.00 0.00 C ATOM 1490 CD2 PHE A 98 8.368 -14.389 5.711 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.846 -15.461 5.948 1.00 0.00 C ATOM 1492 CE2 PHE A 98 7.946 -14.880 6.936 1.00 0.00 C ATOM 1493 CZ PHE A 98 6.682 -15.416 7.053 1.00 0.00 C ATOM 0 H PHE A 98 8.675 -12.440 1.324 1.00 0.00 H new ATOM 0 HA PHE A 98 6.295 -12.661 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.699 -14.567 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.058 -13.784 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.616 -14.996 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 98 9.359 -13.969 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.857 -15.885 6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 98 8.603 -14.843 7.793 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.343 -15.800 8.004 1.00 0.00 H new ATOM 1503 N ASP A 99 8.586 -10.889 4.351 1.00 0.00 N ATOM 1504 CA ASP A 99 8.728 -9.802 5.346 1.00 0.00 C ATOM 1505 C ASP A 99 8.402 -8.474 4.694 1.00 0.00 C ATOM 1506 O ASP A 99 7.911 -7.573 5.329 1.00 0.00 O ATOM 1507 CB ASP A 99 10.211 -9.695 5.820 1.00 0.00 C ATOM 1508 CG ASP A 99 10.736 -10.882 6.596 1.00 0.00 C ATOM 1509 OD1 ASP A 99 10.947 -11.961 5.996 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.983 -10.751 7.807 1.00 0.00 O ATOM 0 H ASP A 99 9.450 -11.127 3.864 1.00 0.00 H new ATOM 0 HA ASP A 99 8.061 -10.022 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.844 -9.547 4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.312 -8.805 6.440 1.00 0.00 H new ATOM 1515 N MET A 100 8.695 -8.347 3.408 1.00 0.00 N ATOM 1516 CA MET A 100 8.621 -7.034 2.773 1.00 0.00 C ATOM 1517 C MET A 100 7.200 -6.683 2.292 1.00 0.00 C ATOM 1518 O MET A 100 6.754 -5.550 2.409 1.00 0.00 O ATOM 1519 CB MET A 100 9.646 -6.909 1.613 1.00 0.00 C ATOM 1520 CG MET A 100 11.083 -7.253 1.965 1.00 0.00 C ATOM 1521 SD MET A 100 11.766 -6.248 3.259 1.00 0.00 S ATOM 1522 CE MET A 100 13.374 -7.004 3.420 1.00 0.00 C ATOM 0 H MET A 100 8.979 -9.112 2.796 1.00 0.00 H new ATOM 0 HA MET A 100 8.882 -6.307 3.542 1.00 0.00 H new ATOM 0 HB2 MET A 100 9.326 -7.558 0.798 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.618 -5.886 1.236 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.133 -8.299 2.266 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.700 -7.149 1.073 1.00 0.00 H new ATOM 0 HE1 MET A 100 13.941 -6.491 4.197 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.257 -8.054 3.689 1.00 0.00 H new ATOM 0 HE3 MET A 100 13.908 -6.929 2.472 1.00 0.00 H new ATOM 1532 N LEU A 101 6.506 -7.655 1.763 1.00 0.00 N ATOM 1533 CA LEU A 101 5.174 -7.460 1.207 1.00 0.00 C ATOM 1534 C LEU A 101 4.103 -8.030 2.143 1.00 0.00 C ATOM 1535 O LEU A 101 3.709 -9.186 1.974 1.00 0.00 O ATOM 1536 CB LEU A 101 5.062 -8.164 -0.170 1.00 0.00 C ATOM 1537 CG LEU A 101 3.661 -8.227 -0.789 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.168 -6.869 -1.147 1.00 0.00 C ATOM 1539 CD2 LEU A 101 3.614 -9.183 -1.980 1.00 0.00 C ATOM 0 H LEU A 101 6.843 -8.616 1.701 1.00 0.00 H new ATOM 0 HA LEU A 101 5.014 -6.388 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.723 -7.653 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.436 -9.183 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 101 2.985 -8.629 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.172 -6.947 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.124 -6.250 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.846 -6.414 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.605 -9.201 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.313 -8.845 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.890 -10.185 -1.653 1.00 0.00 H new ATOM 1551 N THR A 102 3.687 -7.241 3.134 1.00 0.00 N ATOM 1552 CA THR A 102 2.612 -7.584 4.089 1.00 0.00 C ATOM 1553 C THR A 102 2.896 -6.842 5.409 1.00 0.00 C ATOM 1554 O THR A 102 3.793 -6.010 5.483 1.00 0.00 O ATOM 1555 CB THR A 102 2.513 -9.142 4.391 1.00 0.00 C ATOM 1556 OG1 THR A 102 1.340 -9.478 5.179 1.00 0.00 O ATOM 1557 CG2 THR A 102 3.759 -9.653 5.095 1.00 0.00 C ATOM 0 H THR A 102 4.093 -6.321 3.306 1.00 0.00 H new ATOM 0 HA THR A 102 1.664 -7.287 3.642 1.00 0.00 H new ATOM 0 HB THR A 102 2.424 -9.632 3.421 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.949 -10.312 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.657 -10.721 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.631 -9.479 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.885 -9.126 6.041 1.00 0.00 H new ATOM 1565 N GLY A 103 2.153 -7.154 6.423 1.00 0.00 N ATOM 1566 CA GLY A 103 2.382 -6.576 7.714 1.00 0.00 C ATOM 1567 C GLY A 103 3.108 -7.568 8.614 1.00 0.00 C ATOM 1568 O GLY A 103 2.590 -7.965 9.673 1.00 0.00 O ATOM 0 H GLY A 103 1.375 -7.812 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.973 -5.666 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 103 1.432 -6.291 8.167 1.00 0.00 H new ATOM 1572 N SER A 104 4.270 -8.005 8.179 1.00 0.00 N ATOM 1573 CA SER A 104 5.086 -8.956 8.908 1.00 0.00 C ATOM 1574 C SER A 104 6.526 -8.711 8.584 1.00 0.00 C ATOM 1575 O SER A 104 6.826 -7.894 7.741 1.00 0.00 O ATOM 1576 CB SER A 104 4.689 -10.416 8.572 1.00 0.00 C ATOM 1577 OG SER A 104 3.294 -10.640 8.815 1.00 0.00 O ATOM 0 H SER A 104 4.682 -7.706 7.295 1.00 0.00 H new ATOM 0 HA SER A 104 4.922 -8.816 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.918 -10.627 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.281 -11.105 9.174 1.00 0.00 H new ATOM 0 HG SER A 104 3.182 -11.449 9.357 1.00 0.00 H new ATOM 1583 N GLY A 105 7.395 -9.316 9.325 1.00 0.00 N ATOM 1584 CA GLY A 105 8.764 -9.220 8.999 1.00 0.00 C ATOM 1585 C GLY A 105 9.605 -8.805 10.139 1.00 0.00 C ATOM 1586 O GLY A 105 9.196 -7.970 10.959 1.00 0.00 O ATOM 0 H GLY A 105 7.177 -9.875 10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.112 -10.185 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 105 8.888 -8.506 8.185 1.00 0.00 H new ATOM 1590 N ASN A 106 10.779 -9.360 10.189 1.00 0.00 N ATOM 1591 CA ASN A 106 11.724 -9.072 11.257 1.00 0.00 C ATOM 1592 C ASN A 106 12.861 -8.215 10.763 1.00 0.00 C ATOM 1593 O ASN A 106 13.704 -7.762 11.541 1.00 0.00 O ATOM 1594 CB ASN A 106 12.266 -10.352 11.921 1.00 0.00 C ATOM 1595 CG ASN A 106 11.212 -11.114 12.705 1.00 0.00 C ATOM 1596 OD1 ASN A 106 10.523 -11.982 12.173 1.00 0.00 O ATOM 1597 ND2 ASN A 106 11.088 -10.821 13.971 1.00 0.00 N ATOM 0 H ASN A 106 11.120 -10.027 9.497 1.00 0.00 H new ATOM 0 HA ASN A 106 11.174 -8.517 12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 106 12.680 -11.005 11.152 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.085 -10.087 12.589 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.406 -11.317 14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.673 -10.096 14.386 1.00 0.00 H new ATOM 1604 N TYR A 107 12.891 -7.979 9.480 1.00 0.00 N ATOM 1605 CA TYR A 107 13.941 -7.171 8.900 1.00 0.00 C ATOM 1606 C TYR A 107 13.438 -6.320 7.737 1.00 0.00 C ATOM 1607 O TYR A 107 14.214 -5.895 6.893 1.00 0.00 O ATOM 1608 CB TYR A 107 15.126 -8.065 8.472 1.00 0.00 C ATOM 1609 CG TYR A 107 14.745 -9.257 7.596 1.00 0.00 C ATOM 1610 CD1 TYR A 107 14.612 -9.116 6.223 1.00 0.00 C ATOM 1611 CD2 TYR A 107 14.529 -10.516 8.153 1.00 0.00 C ATOM 1612 CE1 TYR A 107 14.258 -10.183 5.428 1.00 0.00 C ATOM 1613 CE2 TYR A 107 14.177 -11.586 7.361 1.00 0.00 C ATOM 1614 CZ TYR A 107 14.043 -11.408 6.004 1.00 0.00 C ATOM 1615 OH TYR A 107 13.696 -12.469 5.219 1.00 0.00 O ATOM 0 H TYR A 107 12.204 -8.332 8.813 1.00 0.00 H new ATOM 0 HA TYR A 107 14.287 -6.476 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.849 -7.452 7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 107 15.626 -8.435 9.367 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.789 -8.152 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.639 -10.654 9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.151 -10.056 4.361 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.008 -12.557 7.802 1.00 0.00 H new ATOM 0 HH TYR A 107 12.727 -12.607 5.266 1.00 0.00 H new ATOM 1625 N SER A 108 12.172 -6.043 7.706 1.00 0.00 N ATOM 1626 CA SER A 108 11.620 -5.228 6.656 1.00 0.00 C ATOM 1627 C SER A 108 11.541 -3.769 7.100 1.00 0.00 C ATOM 1628 O SER A 108 12.293 -2.904 6.606 1.00 0.00 O ATOM 1629 CB SER A 108 10.260 -5.777 6.233 1.00 0.00 C ATOM 1630 OG SER A 108 9.459 -6.126 7.363 1.00 0.00 O ATOM 0 H SER A 108 11.495 -6.368 8.396 1.00 0.00 H new ATOM 0 HA SER A 108 12.275 -5.263 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.738 -5.033 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 108 10.402 -6.654 5.602 1.00 0.00 H new ATOM 0 HG SER A 108 8.690 -6.657 7.067 1.00 0.00 H new ATOM 1636 N SER A 109 10.681 -3.526 8.076 1.00 0.00 N ATOM 1637 CA SER A 109 10.474 -2.218 8.683 1.00 0.00 C ATOM 1638 C SER A 109 10.200 -1.118 7.616 1.00 0.00 C ATOM 1639 O SER A 109 9.751 -1.400 6.506 1.00 0.00 O ATOM 1640 CB SER A 109 11.733 -1.884 9.494 1.00 0.00 C ATOM 1641 OG SER A 109 12.110 -2.992 10.316 1.00 0.00 O ATOM 0 H SER A 109 10.090 -4.253 8.480 1.00 0.00 H new ATOM 0 HA SER A 109 9.594 -2.248 9.325 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.550 -1.630 8.819 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.550 -1.008 10.116 1.00 0.00 H new ATOM 0 HG SER A 109 12.915 -2.763 10.825 1.00 0.00 H new ATOM 1647 N THR A 110 10.428 0.121 7.985 1.00 0.00 N ATOM 1648 CA THR A 110 10.343 1.244 7.081 1.00 0.00 C ATOM 1649 C THR A 110 11.593 1.264 6.188 1.00 0.00 C ATOM 1650 O THR A 110 11.533 1.627 5.004 1.00 0.00 O ATOM 1651 CB THR A 110 10.304 2.537 7.915 1.00 0.00 C ATOM 1652 OG1 THR A 110 9.281 2.419 8.915 1.00 0.00 O ATOM 1653 CG2 THR A 110 10.055 3.782 7.046 1.00 0.00 C ATOM 0 H THR A 110 10.682 0.381 8.938 1.00 0.00 H new ATOM 0 HA THR A 110 9.449 1.164 6.462 1.00 0.00 H new ATOM 0 HB THR A 110 11.279 2.667 8.386 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.252 3.239 9.451 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.036 4.669 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.854 3.878 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.099 3.682 6.532 1.00 0.00 H new ATOM 1661 N ASP A 111 12.685 0.802 6.766 1.00 0.00 N ATOM 1662 CA ASP A 111 14.016 0.825 6.156 1.00 0.00 C ATOM 1663 C ASP A 111 14.101 0.116 4.799 1.00 0.00 C ATOM 1664 O ASP A 111 14.493 0.732 3.797 1.00 0.00 O ATOM 1665 CB ASP A 111 15.062 0.278 7.128 1.00 0.00 C ATOM 1666 CG ASP A 111 16.465 0.225 6.541 1.00 0.00 C ATOM 1667 OD1 ASP A 111 17.111 1.291 6.383 1.00 0.00 O ATOM 1668 OD2 ASP A 111 16.934 -0.886 6.207 1.00 0.00 O ATOM 0 H ASP A 111 12.679 0.388 7.698 1.00 0.00 H new ATOM 0 HA ASP A 111 14.229 1.873 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.074 0.899 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.769 -0.725 7.439 1.00 0.00 H new ATOM 1673 N ALA A 112 13.687 -1.135 4.735 1.00 0.00 N ATOM 1674 CA ALA A 112 13.830 -1.902 3.509 1.00 0.00 C ATOM 1675 C ALA A 112 12.791 -1.499 2.466 1.00 0.00 C ATOM 1676 O ALA A 112 12.917 -1.810 1.289 1.00 0.00 O ATOM 1677 CB ALA A 112 13.780 -3.386 3.815 1.00 0.00 C ATOM 0 H ALA A 112 13.253 -1.639 5.508 1.00 0.00 H new ATOM 0 HA ALA A 112 14.804 -1.678 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.888 -3.952 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.591 -3.645 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.825 -3.630 4.280 1.00 0.00 H new ATOM 1683 N GLN A 113 11.769 -0.828 2.917 1.00 0.00 N ATOM 1684 CA GLN A 113 10.719 -0.345 2.049 1.00 0.00 C ATOM 1685 C GLN A 113 11.077 1.008 1.438 1.00 0.00 C ATOM 1686 O GLN A 113 10.864 1.221 0.286 1.00 0.00 O ATOM 1687 CB GLN A 113 9.410 -0.285 2.826 1.00 0.00 C ATOM 1688 CG GLN A 113 8.144 0.223 2.063 1.00 0.00 C ATOM 1689 CD GLN A 113 8.060 1.749 1.889 1.00 0.00 C ATOM 1690 OE1 GLN A 113 7.526 2.244 0.902 1.00 0.00 O ATOM 1691 NE2 GLN A 113 8.549 2.516 2.858 1.00 0.00 N ATOM 0 H GLN A 113 11.635 -0.597 3.901 1.00 0.00 H new ATOM 0 HA GLN A 113 10.600 -1.038 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.197 -1.285 3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.562 0.358 3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.121 -0.242 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.256 -0.116 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.990 2.089 3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.483 3.531 2.787 1.00 0.00 H new ATOM 1700 N MET A 114 11.608 1.931 2.226 1.00 0.00 N ATOM 1701 CA MET A 114 11.937 3.262 1.691 1.00 0.00 C ATOM 1702 C MET A 114 13.138 3.187 0.773 1.00 0.00 C ATOM 1703 O MET A 114 13.295 3.986 -0.146 1.00 0.00 O ATOM 1704 CB MET A 114 12.141 4.279 2.808 1.00 0.00 C ATOM 1705 CG MET A 114 12.454 5.701 2.328 1.00 0.00 C ATOM 1706 SD MET A 114 12.456 6.893 3.685 1.00 0.00 S ATOM 1707 CE MET A 114 13.655 6.148 4.796 1.00 0.00 C ATOM 0 H MET A 114 11.820 1.798 3.215 1.00 0.00 H new ATOM 0 HA MET A 114 11.089 3.608 1.101 1.00 0.00 H new ATOM 0 HB2 MET A 114 11.242 4.307 3.424 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.955 3.938 3.447 1.00 0.00 H new ATOM 0 HG2 MET A 114 13.427 5.711 1.836 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.717 6.002 1.583 1.00 0.00 H new ATOM 0 HE1 MET A 114 14.070 6.915 5.450 1.00 0.00 H new ATOM 0 HE2 MET A 114 13.166 5.382 5.398 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.457 5.694 4.214 1.00 0.00 H new ATOM 1717 N GLN A 115 13.963 2.207 1.012 1.00 0.00 N ATOM 1718 CA GLN A 115 15.094 1.922 0.176 1.00 0.00 C ATOM 1719 C GLN A 115 14.808 0.617 -0.502 1.00 0.00 C ATOM 1720 O GLN A 115 15.659 -0.292 -0.582 1.00 0.00 O ATOM 1721 CB GLN A 115 16.413 1.880 0.983 1.00 0.00 C ATOM 1722 CG GLN A 115 16.933 3.268 1.414 1.00 0.00 C ATOM 1723 CD GLN A 115 16.100 3.974 2.491 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.994 5.195 2.503 1.00 0.00 O ATOM 1725 NE2 GLN A 115 15.558 3.226 3.417 1.00 0.00 N ATOM 0 H GLN A 115 13.867 1.574 1.806 1.00 0.00 H new ATOM 0 HA GLN A 115 15.237 2.713 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.263 1.268 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.178 1.388 0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.953 3.158 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 115 16.979 3.910 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.663 2.212 3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.030 3.657 4.176 1.00 0.00 H new ATOM 1734 N TYR A 116 13.550 0.532 -0.952 1.00 0.00 N ATOM 1735 CA TYR A 116 12.989 -0.595 -1.617 1.00 0.00 C ATOM 1736 C TYR A 116 13.806 -0.979 -2.834 1.00 0.00 C ATOM 1737 O TYR A 116 14.557 -0.163 -3.392 1.00 0.00 O ATOM 1738 CB TYR A 116 11.583 -0.242 -2.144 1.00 0.00 C ATOM 1739 CG TYR A 116 11.549 0.962 -3.088 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.424 2.259 -2.599 1.00 0.00 C ATOM 1741 CD2 TYR A 116 11.656 0.790 -4.454 1.00 0.00 C ATOM 1742 CE1 TYR A 116 11.411 3.336 -3.449 1.00 0.00 C ATOM 1743 CE2 TYR A 116 11.642 1.854 -5.313 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.520 3.123 -4.813 1.00 0.00 C ATOM 1745 OH TYR A 116 11.503 4.191 -5.686 1.00 0.00 O ATOM 0 H TYR A 116 12.884 1.297 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 116 12.966 -1.412 -0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 116 11.174 -1.108 -2.664 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.929 -0.042 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 116 11.336 2.420 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 116 11.753 -0.209 -4.853 1.00 0.00 H new ATOM 0 HE1 TYR A 116 11.317 4.339 -3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 116 11.727 1.695 -6.378 1.00 0.00 H new ATOM 0 HH TYR A 116 11.591 3.863 -6.605 1.00 0.00 H new ATOM 1755 N ASP A 117 13.653 -2.176 -3.250 1.00 0.00 N ATOM 1756 CA ASP A 117 14.154 -2.569 -4.550 1.00 0.00 C ATOM 1757 C ASP A 117 13.087 -2.243 -5.567 1.00 0.00 C ATOM 1758 O ASP A 117 11.898 -2.340 -5.242 1.00 0.00 O ATOM 1759 CB ASP A 117 14.466 -4.048 -4.624 1.00 0.00 C ATOM 1760 CG ASP A 117 15.771 -4.419 -3.983 1.00 0.00 C ATOM 1761 OD1 ASP A 117 16.827 -4.075 -4.531 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.783 -5.108 -2.945 1.00 0.00 O ATOM 0 H ASP A 117 13.188 -2.917 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 117 15.083 -2.032 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.663 -4.605 -4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.484 -4.355 -5.670 1.00 0.00 H new ATOM 1767 N PRO A 118 13.454 -1.860 -6.804 1.00 0.00 N ATOM 1768 CA PRO A 118 12.480 -1.487 -7.859 1.00 0.00 C ATOM 1769 C PRO A 118 11.456 -2.609 -8.135 1.00 0.00 C ATOM 1770 O PRO A 118 10.273 -2.345 -8.447 1.00 0.00 O ATOM 1771 CB PRO A 118 13.364 -1.249 -9.093 1.00 0.00 C ATOM 1772 CG PRO A 118 14.698 -0.897 -8.540 1.00 0.00 C ATOM 1773 CD PRO A 118 14.846 -1.720 -7.291 1.00 0.00 C ATOM 0 HA PRO A 118 11.882 -0.621 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.418 -2.139 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.968 -0.446 -9.714 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.490 -1.122 -9.254 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.762 0.168 -8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.298 -2.690 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.481 -1.224 -6.556 1.00 0.00 H new ATOM 1781 N GLY A 119 11.873 -3.839 -7.883 1.00 0.00 N ATOM 1782 CA GLY A 119 11.024 -4.963 -8.159 1.00 0.00 C ATOM 1783 C GLY A 119 10.061 -5.100 -7.016 1.00 0.00 C ATOM 1784 O GLY A 119 8.869 -5.261 -7.210 1.00 0.00 O ATOM 0 H GLY A 119 12.786 -4.073 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.487 -4.815 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.616 -5.871 -8.271 1.00 0.00 H new ATOM 1788 N LEU A 120 10.619 -5.006 -5.811 1.00 0.00 N ATOM 1789 CA LEU A 120 9.850 -4.997 -4.577 1.00 0.00 C ATOM 1790 C LEU A 120 8.730 -3.945 -4.630 1.00 0.00 C ATOM 1791 O LEU A 120 7.579 -4.267 -4.361 1.00 0.00 O ATOM 1792 CB LEU A 120 10.778 -4.762 -3.376 1.00 0.00 C ATOM 1793 CG LEU A 120 10.117 -4.707 -2.005 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.375 -6.008 -1.731 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.172 -4.431 -0.935 1.00 0.00 C ATOM 0 H LEU A 120 11.626 -4.934 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 120 9.376 -5.971 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.525 -5.555 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.311 -3.825 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 120 9.389 -3.896 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.906 -5.959 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.609 -6.157 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.078 -6.840 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.695 -4.392 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.917 -5.227 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.657 -3.477 -1.140 1.00 0.00 H new ATOM 1807 N PHE A 121 9.073 -2.696 -5.021 1.00 0.00 N ATOM 1808 CA PHE A 121 8.088 -1.617 -5.167 1.00 0.00 C ATOM 1809 C PHE A 121 6.955 -2.037 -6.117 1.00 0.00 C ATOM 1810 O PHE A 121 5.786 -1.846 -5.816 1.00 0.00 O ATOM 1811 CB PHE A 121 8.741 -0.319 -5.656 1.00 0.00 C ATOM 1812 CG PHE A 121 7.791 0.849 -5.653 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.428 1.465 -4.465 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.253 1.315 -6.823 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.545 2.533 -4.458 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.380 2.370 -6.828 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.017 2.992 -5.647 1.00 0.00 C ATOM 0 H PHE A 121 10.029 -2.417 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 121 7.664 -1.427 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.597 -0.087 -5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.123 -0.468 -6.666 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.839 1.108 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.522 0.843 -7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.271 3.004 -3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 121 5.971 2.720 -7.764 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.330 3.825 -5.656 1.00 0.00 H new ATOM 1827 N ALA A 122 7.319 -2.674 -7.224 1.00 0.00 N ATOM 1828 CA ALA A 122 6.346 -3.132 -8.203 1.00 0.00 C ATOM 1829 C ALA A 122 5.448 -4.221 -7.618 1.00 0.00 C ATOM 1830 O ALA A 122 4.233 -4.241 -7.872 1.00 0.00 O ATOM 1831 CB ALA A 122 7.050 -3.620 -9.470 1.00 0.00 C ATOM 0 H ALA A 122 8.287 -2.885 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 122 5.709 -2.289 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.307 -3.959 -10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.629 -2.804 -9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.717 -4.446 -9.221 1.00 0.00 H new ATOM 1837 N GLN A 123 6.032 -5.103 -6.800 1.00 0.00 N ATOM 1838 CA GLN A 123 5.280 -6.180 -6.171 1.00 0.00 C ATOM 1839 C GLN A 123 4.292 -5.590 -5.183 1.00 0.00 C ATOM 1840 O GLN A 123 3.112 -5.901 -5.245 1.00 0.00 O ATOM 1841 CB GLN A 123 6.208 -7.186 -5.443 1.00 0.00 C ATOM 1842 CG GLN A 123 7.326 -7.805 -6.307 1.00 0.00 C ATOM 1843 CD GLN A 123 6.821 -8.488 -7.571 1.00 0.00 C ATOM 1844 OE1 GLN A 123 6.495 -9.681 -7.572 1.00 0.00 O ATOM 1845 NE2 GLN A 123 6.793 -7.763 -8.671 1.00 0.00 N ATOM 0 H GLN A 123 7.024 -5.087 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 123 4.753 -6.725 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.667 -6.680 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.595 -7.993 -5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.032 -7.023 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.875 -8.531 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.067 -6.781 -8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.497 -8.184 -9.552 1.00 0.00 H new ATOM 1854 N ILE A 124 4.773 -4.676 -4.322 1.00 0.00 N ATOM 1855 CA ILE A 124 3.922 -4.077 -3.283 1.00 0.00 C ATOM 1856 C ILE A 124 2.750 -3.290 -3.827 1.00 0.00 C ATOM 1857 O ILE A 124 1.658 -3.387 -3.268 1.00 0.00 O ATOM 1858 CB ILE A 124 4.678 -3.296 -2.162 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.553 -2.183 -2.726 1.00 0.00 C ATOM 1860 CG2 ILE A 124 5.504 -4.250 -1.320 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.201 -1.290 -1.675 1.00 0.00 C ATOM 0 H ILE A 124 5.736 -4.340 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 124 3.510 -4.954 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 124 3.926 -2.823 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.337 -2.630 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 124 4.948 -1.563 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.025 -3.691 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 124 4.849 -4.989 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.232 -4.757 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.804 -0.527 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.426 -0.810 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 124 6.837 -1.893 -1.027 1.00 0.00 H new ATOM 1873 N GLN A 125 2.934 -2.562 -4.939 1.00 0.00 N ATOM 1874 CA GLN A 125 1.810 -1.822 -5.526 1.00 0.00 C ATOM 1875 C GLN A 125 0.756 -2.755 -6.013 1.00 0.00 C ATOM 1876 O GLN A 125 -0.405 -2.653 -5.613 1.00 0.00 O ATOM 1877 CB GLN A 125 2.194 -0.982 -6.714 1.00 0.00 C ATOM 1878 CG GLN A 125 3.024 0.199 -6.436 1.00 0.00 C ATOM 1879 CD GLN A 125 3.040 1.104 -7.628 1.00 0.00 C ATOM 1880 OE1 GLN A 125 2.955 0.656 -8.785 1.00 0.00 O ATOM 1881 NE2 GLN A 125 3.072 2.358 -7.376 1.00 0.00 N ATOM 0 H GLN A 125 3.820 -2.471 -5.435 1.00 0.00 H new ATOM 0 HA GLN A 125 1.458 -1.178 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.727 -1.616 -7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 125 1.281 -0.650 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.634 0.732 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.040 -0.110 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 125 3.142 2.683 -6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.027 3.033 -8.139 1.00 0.00 H new ATOM 1890 N ALA A 126 1.176 -3.669 -6.886 1.00 0.00 N ATOM 1891 CA ALA A 126 0.288 -4.602 -7.538 1.00 0.00 C ATOM 1892 C ALA A 126 -0.482 -5.413 -6.527 1.00 0.00 C ATOM 1893 O ALA A 126 -1.675 -5.569 -6.660 1.00 0.00 O ATOM 1894 CB ALA A 126 1.065 -5.507 -8.482 1.00 0.00 C ATOM 0 H ALA A 126 2.154 -3.776 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.432 -4.032 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.380 -6.204 -8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.561 -4.901 -9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.812 -6.065 -7.918 1.00 0.00 H new ATOM 1900 N ALA A 127 0.201 -5.854 -5.489 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.399 -6.658 -4.459 1.00 0.00 C ATOM 1902 C ALA A 127 -1.429 -5.854 -3.687 1.00 0.00 C ATOM 1903 O ALA A 127 -2.591 -6.293 -3.519 1.00 0.00 O ATOM 1904 CB ALA A 127 0.684 -7.174 -3.539 1.00 0.00 C ATOM 0 H ALA A 127 1.192 -5.660 -5.342 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.914 -7.505 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.235 -7.785 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.390 -7.777 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.209 -6.332 -3.087 1.00 0.00 H new ATOM 1910 N ALA A 128 -1.040 -4.642 -3.288 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.900 -3.799 -2.518 1.00 0.00 C ATOM 1912 C ALA A 128 -3.168 -3.506 -3.265 1.00 0.00 C ATOM 1913 O ALA A 128 -4.176 -3.926 -2.852 1.00 0.00 O ATOM 1914 CB ALA A 128 -1.205 -2.516 -2.102 1.00 0.00 C ATOM 0 H ALA A 128 -0.127 -4.238 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.157 -4.338 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.892 -1.903 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.330 -2.756 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.893 -1.967 -2.990 1.00 0.00 H new ATOM 1920 N THR A 129 -3.081 -2.870 -4.405 1.00 0.00 N ATOM 1921 CA THR A 129 -4.317 -2.490 -5.131 1.00 0.00 C ATOM 1922 C THR A 129 -5.189 -3.710 -5.545 1.00 0.00 C ATOM 1923 O THR A 129 -6.457 -3.631 -5.492 1.00 0.00 O ATOM 1924 CB THR A 129 -4.066 -1.479 -6.340 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.265 -1.260 -7.127 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.907 -1.905 -7.244 1.00 0.00 C ATOM 0 H THR A 129 -2.208 -2.601 -4.859 1.00 0.00 H new ATOM 0 HA THR A 129 -4.905 -1.934 -4.401 1.00 0.00 H new ATOM 0 HB THR A 129 -3.785 -0.535 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.069 -0.634 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.786 -1.178 -8.047 1.00 0.00 H new ATOM 0 HG22 THR A 129 -1.989 -1.956 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.120 -2.885 -7.671 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.525 -4.868 -5.784 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.188 -6.074 -6.328 1.00 0.00 C ATOM 1936 C LYS A 130 -6.150 -6.577 -5.290 1.00 0.00 C ATOM 1937 O LYS A 130 -7.203 -7.097 -5.600 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.116 -7.142 -6.705 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.535 -8.195 -7.752 1.00 0.00 C ATOM 1940 CD LYS A 130 -5.355 -9.333 -7.175 1.00 0.00 C ATOM 1941 CE LYS A 130 -4.497 -10.327 -6.381 1.00 0.00 C ATOM 1942 NZ LYS A 130 -3.495 -11.046 -7.207 1.00 0.00 N ATOM 0 H LYS A 130 -3.528 -4.990 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.740 -5.845 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.233 -6.623 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.819 -7.664 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.111 -7.705 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -3.640 -8.604 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.130 -8.926 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -5.861 -9.859 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -3.981 -9.792 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -5.151 -11.056 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -3.121 -11.856 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -3.945 -11.386 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -2.716 -10.400 -7.448 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.767 -6.394 -4.076 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.549 -6.647 -2.935 1.00 0.00 C ATOM 1958 C ALA A 131 -7.447 -5.445 -2.685 1.00 0.00 C ATOM 1959 O ALA A 131 -8.673 -5.557 -2.804 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.561 -6.841 -1.826 1.00 0.00 C ATOM 0 H ALA A 131 -4.838 -6.041 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.197 -7.518 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -6.093 -7.044 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.909 -7.682 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.961 -5.938 -1.711 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.826 -4.272 -2.506 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.468 -3.020 -2.053 1.00 0.00 C ATOM 1968 C TRP A 132 -8.391 -2.369 -3.083 1.00 0.00 C ATOM 1969 O TRP A 132 -8.560 -1.170 -3.108 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.478 -1.953 -1.532 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.621 -2.399 -0.395 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -5.164 -3.629 -0.228 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -5.092 -1.631 0.694 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.335 -3.707 0.768 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.260 -2.510 1.390 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.199 -0.301 1.148 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.538 -2.128 2.479 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.475 0.050 2.244 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.649 -0.866 2.882 1.00 0.00 C ATOM 0 H TRP A 132 -5.827 -4.159 -2.677 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.078 -3.369 -1.220 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.834 -1.643 -2.355 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.043 -1.074 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.447 -4.468 -0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.819 -4.544 1.039 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.833 0.413 0.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.897 -2.826 2.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.543 1.058 2.625 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -3.075 -0.541 3.737 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.934 -3.131 -3.943 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.993 -2.668 -4.797 1.00 0.00 C ATOM 1992 C ARG A 133 -11.338 -3.395 -4.616 1.00 0.00 C ATOM 1993 O ARG A 133 -12.397 -2.797 -4.657 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.512 -2.598 -6.266 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.594 -2.607 -7.362 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.227 -3.979 -7.540 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.711 -3.956 -7.388 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.538 -4.748 -8.069 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.100 -5.397 -9.135 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -14.815 -4.870 -7.702 1.00 0.00 N ATOM 0 H ARG A 133 -8.668 -4.105 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.229 -1.654 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.919 -1.691 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -8.844 -3.441 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.368 -1.882 -7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.153 -2.288 -8.306 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -10.974 -4.366 -8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -10.802 -4.667 -6.809 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.116 -3.296 -6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.131 -5.291 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.732 -6.004 -9.658 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.165 -4.355 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.441 -5.479 -8.229 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.206 -4.637 -4.408 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.158 -5.741 -4.701 1.00 0.00 C ATOM 2016 C LYS A 134 -13.597 -5.752 -4.077 1.00 0.00 C ATOM 2017 O LYS A 134 -14.235 -6.803 -4.025 1.00 0.00 O ATOM 2018 CB LYS A 134 -11.354 -6.889 -4.277 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.732 -8.283 -4.666 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.737 -9.205 -3.979 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.294 -8.822 -4.350 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.969 -9.140 -5.756 1.00 0.00 N ATOM 0 H LYS A 134 -10.352 -4.997 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.478 -5.684 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -10.341 -6.720 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -11.310 -6.863 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -12.751 -8.510 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.694 -8.408 -5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -10.867 -9.148 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.930 -10.238 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.149 -7.755 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -8.601 -9.347 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.274 -8.455 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.571 -10.099 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.834 -9.090 -6.332 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.128 -4.629 -3.735 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.452 -4.565 -3.084 1.00 0.00 C ATOM 2038 C LEU A 135 -16.612 -4.430 -4.082 1.00 0.00 C ATOM 2039 O LEU A 135 -16.391 -4.334 -5.300 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.494 -3.389 -2.124 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.979 -3.615 -0.705 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.618 -4.203 -0.713 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.907 -2.308 -0.020 1.00 0.00 C ATOM 0 H LEU A 135 -13.687 -3.721 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.583 -5.509 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -14.918 -2.575 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.527 -3.048 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.657 -4.301 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.280 -4.352 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.639 -5.162 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.933 -3.528 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.541 -2.450 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.228 -1.650 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.900 -1.859 0.011 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.880 -4.511 -3.576 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.076 -4.155 -4.346 1.00 0.00 C ATOM 2057 C PRO A 136 -19.293 -2.640 -4.376 1.00 0.00 C ATOM 2058 O PRO A 136 -18.679 -1.880 -3.596 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.200 -4.808 -3.558 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.720 -4.769 -2.162 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.255 -5.054 -2.244 1.00 0.00 C ATOM 0 HA PRO A 136 -19.009 -4.477 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -21.138 -4.265 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.380 -5.830 -3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.907 -3.796 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -20.232 -5.511 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.704 -4.566 -1.440 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -18.047 -6.122 -2.171 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.179 -2.214 -5.241 1.00 0.00 N ATOM 2070 CA VAL A 137 -20.472 -0.812 -5.441 1.00 0.00 C ATOM 2071 C VAL A 137 -21.217 -0.229 -4.231 1.00 0.00 C ATOM 2072 O VAL A 137 -21.897 -0.965 -3.491 1.00 0.00 O ATOM 2073 CB VAL A 137 -21.286 -0.632 -6.764 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -22.654 -1.298 -6.675 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -21.415 0.820 -7.185 1.00 0.00 C ATOM 0 H VAL A 137 -20.726 -2.837 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 137 -19.537 -0.259 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 137 -20.712 -1.135 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -23.191 -1.152 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -22.528 -2.365 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -23.223 -0.854 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -21.990 0.881 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -21.925 1.382 -6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -20.423 1.242 -7.346 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.075 1.076 -4.011 1.00 0.00 N ATOM 2086 CA LYS A 138 -21.756 1.705 -2.920 1.00 0.00 C ATOM 2087 C LYS A 138 -23.081 2.241 -3.429 1.00 0.00 C ATOM 2088 O LYS A 138 -24.132 1.681 -3.138 1.00 0.00 O ATOM 2089 CB LYS A 138 -20.929 2.841 -2.303 1.00 0.00 C ATOM 2090 CG LYS A 138 -21.530 3.409 -1.023 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.458 2.414 0.140 1.00 0.00 C ATOM 2092 CE LYS A 138 -20.015 2.203 0.602 1.00 0.00 C ATOM 2093 NZ LYS A 138 -19.458 3.429 1.221 1.00 0.00 N ATOM 0 H LYS A 138 -20.498 1.699 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 138 -21.916 0.966 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -19.925 2.474 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -20.828 3.643 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -21.003 4.323 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -22.570 3.682 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -22.059 2.780 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -21.887 1.460 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -19.978 1.383 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -19.399 1.911 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -18.450 3.514 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -19.971 4.261 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -19.561 3.374 2.254 1.00 0.00 H new ATOM 2107 N GLY A 139 -23.019 3.277 -4.230 1.00 0.00 N ATOM 2108 CA GLY A 139 -24.188 3.877 -4.758 1.00 0.00 C ATOM 2109 C GLY A 139 -23.918 4.454 -6.114 1.00 0.00 C ATOM 2110 O GLY A 139 -23.886 5.660 -6.281 1.00 0.00 O ATOM 0 H GLY A 139 -22.148 3.718 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -24.985 3.137 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -24.536 4.661 -4.086 1.00 0.00 H new ATOM 2114 N ASP A 140 -23.709 3.604 -7.076 1.00 0.00 N ATOM 2115 CA ASP A 140 -23.422 4.028 -8.424 1.00 0.00 C ATOM 2116 C ASP A 140 -24.059 3.055 -9.378 1.00 0.00 C ATOM 2117 O ASP A 140 -25.096 3.381 -9.976 1.00 0.00 O ATOM 2118 CB ASP A 140 -21.922 4.102 -8.665 1.00 0.00 C ATOM 2119 CG ASP A 140 -21.587 4.484 -10.078 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -21.716 5.663 -10.429 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -21.142 3.621 -10.858 1.00 0.00 O ATOM 2122 OXT ASP A 140 -23.597 1.914 -9.456 1.00 0.00 O ATOM 0 H ASP A 140 -23.732 2.592 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 140 -23.829 5.027 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -21.482 4.828 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -21.472 3.136 -8.436 1.00 0.00 H new TER 2127 ASP A 140