USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 789 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 69 SER OG : rot -64:sc= 1.14 USER MOD Set 1.2: A 70 THR OG1 : rot 79:sc= 0.0582 USER MOD Set 2.1: A 56 GLN : amide:sc= 0.642 K(o=-0.15,f=-4) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.796! C(o=-0.15!,f=-2.7!) USER MOD Set 3.1: A 46 THR OG1 : rot -160:sc= 0.00241 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -157:sc= 0.00213 (180deg=0) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0.0215 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.4) USER MOD Set 5.1: A 12 THR OG1 : rot -36:sc= 0.556 USER MOD Set 5.2: A 19 SER OG : rot 29:sc= 1.2 USER MOD Set 6.1: A 4 MET CE :methyl 157:sc= -3.94 (180deg=-5.04!) USER MOD Set 6.2: A 27 MET CE :methyl -126:sc= -0.61 (180deg=-0.557) USER MOD Set 6.3: A 34 HIS : no HD1:sc= -5.52! C(o=-10!,f=-8.8!) USER MOD Single : A 3 GLN : amide:sc= -0.759 K(o=-0.76,f=-2.1!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 10 ASN : amide:sc= -7.34! C(o=-7.3!,f=-7.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -72:sc= 1.12 USER MOD Single : A 25 MET CE :methyl -130:sc= -1.18 (180deg=-2.93!) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.328) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.00845! C(o=0.0084!,f=-5.3!) USER MOD Single : A 40 TYR OH : rot -22:sc= -1.79 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0.452 (180deg=0.252) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 43:sc= 0.162 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 61 MET CE :methyl -152:sc= -6.18! (180deg=-6.86!) USER MOD Single : A 72 TYR OH : rot -130:sc= -4.2! USER MOD Single : A 80 THR OG1 : rot -65:sc= 1.21 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -65:sc= 0.421! USER MOD Single : A 85 TYR OH : rot 15:sc= 0.521 USER MOD Single : A 86 ASN : amide:sc= -3.66! K(o=-3.7!,f=-1.1) USER MOD Single : A 90 SER OG : rot -80:sc= 0.848 USER MOD Single : A 93 SER OG : rot 127:sc= -0.682 USER MOD Single : A 97 SER OG : rot 176:sc= 0 USER MOD Single : A 100 THR OG1 : rot -84:sc= 0.822 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 3 11.260 6.203 -11.313 1.00 0.00 N ATOM 40 CA GLN A 3 12.057 7.425 -11.296 1.00 0.00 C ATOM 41 C GLN A 3 11.171 8.641 -11.539 1.00 0.00 C ATOM 42 O GLN A 3 10.166 8.555 -12.244 1.00 0.00 O ATOM 43 CB GLN A 3 13.160 7.357 -12.352 1.00 0.00 C ATOM 44 CG GLN A 3 12.646 7.438 -13.780 1.00 0.00 C ATOM 45 CD GLN A 3 13.730 7.815 -14.769 1.00 0.00 C ATOM 46 OE1 GLN A 3 14.615 7.014 -15.075 1.00 0.00 O ATOM 47 NE2 GLN A 3 13.671 9.041 -15.274 1.00 0.00 N ATOM 0 HA GLN A 3 12.520 7.521 -10.314 1.00 0.00 H new ATOM 0 HB2 GLN A 3 13.864 8.172 -12.182 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.713 6.426 -12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.219 6.476 -14.064 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.841 8.171 -13.832 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.921 9.673 -14.993 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.376 9.352 -15.943 1.00 0.00 H new ATOM 56 N MET A 4 11.538 9.770 -10.945 1.00 0.00 N ATOM 57 CA MET A 4 10.758 10.990 -11.098 1.00 0.00 C ATOM 58 C MET A 4 9.348 10.778 -10.556 1.00 0.00 C ATOM 59 O MET A 4 9.094 9.814 -9.832 1.00 0.00 O ATOM 60 CB MET A 4 10.700 11.403 -12.573 1.00 0.00 C ATOM 61 CG MET A 4 11.387 12.728 -12.866 1.00 0.00 C ATOM 62 SD MET A 4 10.592 14.125 -12.046 1.00 0.00 S ATOM 63 CE MET A 4 10.088 15.108 -13.458 1.00 0.00 C ATOM 0 H MET A 4 12.366 9.865 -10.357 1.00 0.00 H new ATOM 0 HA MET A 4 11.239 11.788 -10.532 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.162 10.623 -13.178 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.657 11.469 -12.882 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.428 12.670 -12.548 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.392 12.899 -13.942 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.262 15.759 -13.172 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.927 15.715 -13.797 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.768 14.449 -14.265 1.00 0.00 H new ATOM 73 N ALA A 5 8.433 11.671 -10.909 1.00 0.00 N ATOM 74 CA ALA A 5 7.054 11.563 -10.456 1.00 0.00 C ATOM 75 C ALA A 5 6.133 12.434 -11.304 1.00 0.00 C ATOM 76 O ALA A 5 6.372 13.631 -11.459 1.00 0.00 O ATOM 77 CB ALA A 5 6.949 11.952 -8.989 1.00 0.00 C ATOM 0 H ALA A 5 8.621 12.476 -11.506 1.00 0.00 H new ATOM 0 HA ALA A 5 6.738 10.526 -10.568 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.912 11.867 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.573 11.288 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.286 12.980 -8.860 1.00 0.00 H new ATOM 83 N PRO A 6 5.062 11.848 -11.868 1.00 0.00 N ATOM 84 CA PRO A 6 4.114 12.591 -12.701 1.00 0.00 C ATOM 85 C PRO A 6 3.475 13.746 -11.935 1.00 0.00 C ATOM 86 O PRO A 6 3.115 13.599 -10.768 1.00 0.00 O ATOM 87 CB PRO A 6 3.059 11.545 -13.077 1.00 0.00 C ATOM 88 CG PRO A 6 3.733 10.231 -12.881 1.00 0.00 C ATOM 89 CD PRO A 6 4.690 10.430 -11.743 1.00 0.00 C ATOM 0 HA PRO A 6 4.596 13.045 -13.567 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.174 11.633 -12.447 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.729 11.670 -14.108 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.008 9.450 -12.651 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.258 9.922 -13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.223 10.219 -10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.558 9.776 -11.826 1.00 0.00 H new ATOM 97 N PRO A 7 3.331 14.917 -12.577 1.00 0.00 N ATOM 98 CA PRO A 7 2.737 16.097 -11.941 1.00 0.00 C ATOM 99 C PRO A 7 1.371 15.807 -11.330 1.00 0.00 C ATOM 100 O PRO A 7 0.978 14.651 -11.175 1.00 0.00 O ATOM 101 CB PRO A 7 2.605 17.096 -13.094 1.00 0.00 C ATOM 102 CG PRO A 7 3.649 16.683 -14.071 1.00 0.00 C ATOM 103 CD PRO A 7 3.742 15.187 -13.968 1.00 0.00 C ATOM 0 HA PRO A 7 3.346 16.458 -11.112 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.610 17.060 -13.538 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.764 18.119 -12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.380 16.989 -15.082 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.606 17.150 -13.840 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.086 14.693 -14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.754 14.832 -14.165 1.00 0.00 H new ATOM 111 N SER A 8 0.648 16.870 -10.995 1.00 0.00 N ATOM 112 CA SER A 8 -0.680 16.742 -10.408 1.00 0.00 C ATOM 113 C SER A 8 -1.746 17.009 -11.462 1.00 0.00 C ATOM 114 O SER A 8 -2.167 18.147 -11.659 1.00 0.00 O ATOM 115 CB SER A 8 -0.841 17.717 -9.239 1.00 0.00 C ATOM 116 OG SER A 8 -2.208 17.918 -8.927 1.00 0.00 O ATOM 0 H SER A 8 0.961 17.833 -11.121 1.00 0.00 H new ATOM 0 HA SER A 8 -0.800 15.725 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.318 17.330 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.378 18.671 -9.491 1.00 0.00 H new ATOM 0 HG SER A 8 -2.284 18.543 -8.176 1.00 0.00 H new ATOM 122 N LEU A 9 -2.166 15.953 -12.147 1.00 0.00 N ATOM 123 CA LEU A 9 -3.165 16.079 -13.198 1.00 0.00 C ATOM 124 C LEU A 9 -4.576 16.174 -12.628 1.00 0.00 C ATOM 125 O LEU A 9 -5.048 15.268 -11.941 1.00 0.00 O ATOM 126 CB LEU A 9 -3.072 14.890 -14.158 1.00 0.00 C ATOM 127 CG LEU A 9 -4.228 14.764 -15.152 1.00 0.00 C ATOM 128 CD1 LEU A 9 -4.433 16.072 -15.901 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.972 13.623 -16.124 1.00 0.00 C ATOM 0 H LEU A 9 -1.831 15.002 -11.993 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.959 17.003 -13.739 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.140 14.967 -14.717 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.017 13.973 -13.571 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.139 14.543 -14.596 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.259 15.963 -16.604 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.663 16.866 -15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.524 16.325 -16.446 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.804 13.548 -16.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.051 13.814 -16.675 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.877 12.688 -15.571 1.00 0.00 H new ATOM 141 N ASN A 10 -5.247 17.280 -12.937 1.00 0.00 N ATOM 142 CA ASN A 10 -6.611 17.507 -12.482 1.00 0.00 C ATOM 143 C ASN A 10 -7.450 18.099 -13.611 1.00 0.00 C ATOM 144 O ASN A 10 -6.971 18.936 -14.379 1.00 0.00 O ATOM 145 CB ASN A 10 -6.626 18.435 -11.263 1.00 0.00 C ATOM 146 CG ASN A 10 -6.273 19.866 -11.613 1.00 0.00 C ATOM 147 OD1 ASN A 10 -5.127 20.289 -11.467 1.00 0.00 O ATOM 148 ND2 ASN A 10 -7.262 20.622 -12.078 1.00 0.00 N ATOM 0 H ASN A 10 -4.863 18.036 -13.504 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.042 16.550 -12.189 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.615 18.411 -10.805 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.921 18.063 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.085 21.595 -12.330 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.198 20.230 -12.183 1.00 0.00 H new ATOM 155 N VAL A 11 -8.695 17.647 -13.718 1.00 0.00 N ATOM 156 CA VAL A 11 -9.594 18.119 -14.765 1.00 0.00 C ATOM 157 C VAL A 11 -10.386 19.343 -14.321 1.00 0.00 C ATOM 158 O VAL A 11 -11.006 19.343 -13.257 1.00 0.00 O ATOM 159 CB VAL A 11 -10.579 17.014 -15.194 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.494 17.508 -16.305 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.826 15.768 -15.631 1.00 0.00 C ATOM 0 H VAL A 11 -9.105 16.954 -13.092 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.965 18.394 -15.612 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.199 16.756 -14.335 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.181 16.712 -16.592 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.063 18.368 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.895 17.799 -17.168 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.538 14.999 -15.930 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.179 16.011 -16.474 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.221 15.400 -14.803 1.00 0.00 H new ATOM 171 N THR A 12 -10.371 20.378 -15.153 1.00 0.00 N ATOM 172 CA THR A 12 -11.097 21.608 -14.864 1.00 0.00 C ATOM 173 C THR A 12 -11.933 22.022 -16.058 1.00 0.00 C ATOM 174 O THR A 12 -11.416 22.287 -17.143 1.00 0.00 O ATOM 175 CB THR A 12 -10.136 22.731 -14.479 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.351 23.122 -15.590 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.194 22.355 -13.357 1.00 0.00 C ATOM 0 H THR A 12 -9.862 20.389 -16.037 1.00 0.00 H new ATOM 0 HA THR A 12 -11.759 21.419 -14.019 1.00 0.00 H new ATOM 0 HB THR A 12 -10.770 23.549 -14.138 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.138 22.335 -16.133 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.539 23.197 -13.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.771 22.098 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.592 21.498 -13.659 1.00 0.00 H new ATOM 185 N LYS A 13 -13.236 22.062 -15.842 1.00 0.00 N ATOM 186 CA LYS A 13 -14.177 22.431 -16.892 1.00 0.00 C ATOM 187 C LYS A 13 -14.724 23.841 -16.680 1.00 0.00 C ATOM 188 O LYS A 13 -14.714 24.362 -15.564 1.00 0.00 O ATOM 189 CB LYS A 13 -15.322 21.411 -16.954 1.00 0.00 C ATOM 190 CG LYS A 13 -16.410 21.629 -15.914 1.00 0.00 C ATOM 191 CD LYS A 13 -17.320 20.417 -15.796 1.00 0.00 C ATOM 192 CE LYS A 13 -18.752 20.821 -15.485 1.00 0.00 C ATOM 193 NZ LYS A 13 -18.879 21.405 -14.122 1.00 0.00 N ATOM 0 H LYS A 13 -13.671 21.843 -14.946 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.644 22.425 -17.843 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.772 21.447 -17.946 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.909 20.410 -16.827 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.953 21.838 -14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.001 22.504 -16.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.295 19.851 -16.727 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.949 19.757 -15.012 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.094 21.546 -16.224 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.402 19.950 -15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.870 21.668 -13.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.577 20.705 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.279 22.251 -14.050 1.00 0.00 H new ATOM 207 N ASP A 14 -15.203 24.450 -17.759 1.00 0.00 N ATOM 208 CA ASP A 14 -15.760 25.797 -17.701 1.00 0.00 C ATOM 209 C ASP A 14 -17.172 25.819 -18.275 1.00 0.00 C ATOM 210 O ASP A 14 -17.503 26.666 -19.105 1.00 0.00 O ATOM 211 CB ASP A 14 -14.869 26.773 -18.475 1.00 0.00 C ATOM 212 CG ASP A 14 -13.711 27.285 -17.643 1.00 0.00 C ATOM 213 OD1 ASP A 14 -13.617 26.906 -16.456 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.895 28.065 -18.177 1.00 0.00 O ATOM 0 H ASP A 14 -15.217 24.030 -18.688 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.802 26.105 -16.656 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.482 26.278 -19.366 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.469 27.617 -18.815 1.00 0.00 H new ATOM 219 N GLY A 15 -17.999 24.878 -17.831 1.00 0.00 N ATOM 220 CA GLY A 15 -19.365 24.802 -18.315 1.00 0.00 C ATOM 221 C GLY A 15 -19.551 23.737 -19.383 1.00 0.00 C ATOM 222 O GLY A 15 -20.675 23.469 -19.807 1.00 0.00 O ATOM 0 H GLY A 15 -17.747 24.167 -17.145 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.031 24.592 -17.478 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.657 25.771 -18.719 1.00 0.00 H new ATOM 226 N ASP A 16 -18.450 23.127 -19.815 1.00 0.00 N ATOM 227 CA ASP A 16 -18.498 22.085 -20.836 1.00 0.00 C ATOM 228 C ASP A 16 -17.091 21.702 -21.283 1.00 0.00 C ATOM 229 O ASP A 16 -16.646 20.575 -21.067 1.00 0.00 O ATOM 230 CB ASP A 16 -19.318 22.553 -22.040 1.00 0.00 C ATOM 231 CG ASP A 16 -20.491 21.638 -22.326 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.197 21.258 -21.367 1.00 0.00 O ATOM 233 OD2 ASP A 16 -20.703 21.297 -23.510 1.00 0.00 O ATOM 0 H ASP A 16 -17.512 23.337 -19.473 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.977 21.207 -20.402 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.684 23.563 -21.857 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.675 22.601 -22.919 1.00 0.00 H new ATOM 238 N SER A 17 -16.394 22.648 -21.905 1.00 0.00 N ATOM 239 CA SER A 17 -15.036 22.409 -22.380 1.00 0.00 C ATOM 240 C SER A 17 -14.116 22.044 -21.219 1.00 0.00 C ATOM 241 O SER A 17 -13.829 22.874 -20.356 1.00 0.00 O ATOM 242 CB SER A 17 -14.498 23.645 -23.104 1.00 0.00 C ATOM 243 OG SER A 17 -13.943 23.299 -24.361 1.00 0.00 O ATOM 0 H SER A 17 -16.747 23.587 -22.092 1.00 0.00 H new ATOM 0 HA SER A 17 -15.063 21.574 -23.080 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.303 24.367 -23.245 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.739 24.129 -22.489 1.00 0.00 H new ATOM 0 HG SER A 17 -13.608 24.106 -24.804 1.00 0.00 H new ATOM 249 N TYR A 18 -13.661 20.795 -21.202 1.00 0.00 N ATOM 250 CA TYR A 18 -12.778 20.318 -20.144 1.00 0.00 C ATOM 251 C TYR A 18 -11.319 20.631 -20.461 1.00 0.00 C ATOM 252 O TYR A 18 -10.906 20.612 -21.621 1.00 0.00 O ATOM 253 CB TYR A 18 -12.951 18.812 -19.948 1.00 0.00 C ATOM 254 CG TYR A 18 -14.284 18.432 -19.352 1.00 0.00 C ATOM 255 CD1 TYR A 18 -14.450 18.350 -17.976 1.00 0.00 C ATOM 256 CD2 TYR A 18 -15.379 18.160 -20.163 1.00 0.00 C ATOM 257 CE1 TYR A 18 -15.669 18.008 -17.425 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.601 17.818 -19.619 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.742 17.743 -18.249 1.00 0.00 C ATOM 260 OH TYR A 18 -17.959 17.402 -17.703 1.00 0.00 O ATOM 0 H TYR A 18 -13.889 20.096 -21.908 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.050 20.836 -19.224 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.837 18.313 -20.910 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.155 18.444 -19.301 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.612 18.557 -17.326 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -15.272 18.217 -21.236 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.781 17.948 -16.353 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -17.443 17.610 -20.263 1.00 0.00 H new ATOM 0 HH TYR A 18 -17.910 16.495 -17.336 1.00 0.00 H new ATOM 270 N SER A 19 -10.544 20.909 -19.420 1.00 0.00 N ATOM 271 CA SER A 19 -9.129 21.218 -19.577 1.00 0.00 C ATOM 272 C SER A 19 -8.329 20.668 -18.403 1.00 0.00 C ATOM 273 O SER A 19 -8.755 20.760 -17.252 1.00 0.00 O ATOM 274 CB SER A 19 -8.923 22.727 -19.696 1.00 0.00 C ATOM 275 OG SER A 19 -9.834 23.434 -18.872 1.00 0.00 O ATOM 0 H SER A 19 -10.873 20.927 -18.455 1.00 0.00 H new ATOM 0 HA SER A 19 -8.773 20.744 -20.492 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.901 22.981 -19.414 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.053 23.034 -20.734 1.00 0.00 H new ATOM 0 HG SER A 19 -10.070 22.882 -18.097 1.00 0.00 H new ATOM 281 N LEU A 20 -7.175 20.086 -18.700 1.00 0.00 N ATOM 282 CA LEU A 20 -6.322 19.510 -17.670 1.00 0.00 C ATOM 283 C LEU A 20 -5.506 20.584 -16.959 1.00 0.00 C ATOM 284 O LEU A 20 -5.395 21.711 -17.436 1.00 0.00 O ATOM 285 CB LEU A 20 -5.377 18.470 -18.283 1.00 0.00 C ATOM 286 CG LEU A 20 -6.035 17.294 -19.031 1.00 0.00 C ATOM 287 CD1 LEU A 20 -7.504 17.136 -18.658 1.00 0.00 C ATOM 288 CD2 LEU A 20 -5.887 17.467 -20.533 1.00 0.00 C ATOM 0 H LEU A 20 -6.808 20.000 -19.648 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.969 19.028 -16.937 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.709 18.983 -18.975 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.757 18.062 -17.485 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.518 16.384 -18.727 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.930 16.296 -19.207 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.590 16.951 -17.587 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.044 18.048 -18.913 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.358 16.627 -21.044 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.368 18.395 -20.841 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.829 17.503 -20.793 1.00 0.00 H new ATOM 300 N ARG A 21 -4.934 20.218 -15.815 1.00 0.00 N ATOM 301 CA ARG A 21 -4.117 21.140 -15.036 1.00 0.00 C ATOM 302 C ARG A 21 -3.063 20.377 -14.240 1.00 0.00 C ATOM 303 O ARG A 21 -3.337 19.854 -13.160 1.00 0.00 O ATOM 304 CB ARG A 21 -4.992 21.969 -14.096 1.00 0.00 C ATOM 305 CG ARG A 21 -4.220 23.020 -13.316 1.00 0.00 C ATOM 306 CD ARG A 21 -5.084 24.233 -13.009 1.00 0.00 C ATOM 307 NE ARG A 21 -4.471 25.101 -12.006 1.00 0.00 N ATOM 308 CZ ARG A 21 -4.458 24.827 -10.706 1.00 0.00 C ATOM 309 NH1 ARG A 21 -5.019 23.713 -10.256 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.882 25.666 -9.854 1.00 0.00 N ATOM 0 H ARG A 21 -5.022 19.287 -15.407 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.611 21.816 -15.725 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.772 22.460 -14.678 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.491 21.301 -13.394 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.854 22.588 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.346 23.330 -13.888 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.252 24.800 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.060 23.903 -12.655 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.029 25.964 -12.321 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.461 23.065 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.008 23.504 -9.258 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.448 26.523 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.873 25.454 -8.856 1.00 0.00 H new ATOM 324 N TRP A 22 -1.857 20.313 -14.794 1.00 0.00 N ATOM 325 CA TRP A 22 -0.747 19.609 -14.157 1.00 0.00 C ATOM 326 C TRP A 22 0.372 20.579 -13.788 1.00 0.00 C ATOM 327 O TRP A 22 0.802 21.388 -14.611 1.00 0.00 O ATOM 328 CB TRP A 22 -0.207 18.529 -15.101 1.00 0.00 C ATOM 329 CG TRP A 22 -0.171 18.982 -16.526 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.679 19.898 -17.069 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.034 18.556 -17.587 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.392 20.079 -18.399 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.654 19.264 -18.741 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.091 17.645 -17.673 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -1.294 19.096 -19.963 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.726 17.476 -18.889 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.328 18.199 -20.020 1.00 0.00 C ATOM 0 H TRP A 22 -1.621 20.743 -15.689 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.114 19.143 -13.243 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.798 18.246 -14.787 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.829 17.637 -15.022 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.465 20.408 -16.531 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.878 20.716 -19.030 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.405 17.084 -16.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.987 19.652 -20.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.543 16.774 -18.968 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.846 18.047 -20.955 1.00 0.00 H new ATOM 348 N GLU A 23 0.844 20.488 -12.549 1.00 0.00 N ATOM 349 CA GLU A 23 1.916 21.355 -12.073 1.00 0.00 C ATOM 350 C GLU A 23 3.117 20.529 -11.622 1.00 0.00 C ATOM 351 O GLU A 23 2.988 19.632 -10.790 1.00 0.00 O ATOM 352 CB GLU A 23 1.419 22.231 -10.922 1.00 0.00 C ATOM 353 CG GLU A 23 0.357 23.235 -11.338 1.00 0.00 C ATOM 354 CD GLU A 23 0.388 24.499 -10.500 1.00 0.00 C ATOM 355 OE1 GLU A 23 0.092 24.416 -9.289 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.707 25.571 -11.055 1.00 0.00 O ATOM 0 H GLU A 23 0.501 19.823 -11.856 1.00 0.00 H new ATOM 0 HA GLU A 23 2.227 21.997 -12.897 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.015 21.591 -10.137 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.265 22.767 -10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.500 23.495 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.627 22.773 -11.255 1.00 0.00 H new ATOM 363 N THR A 24 4.284 20.836 -12.178 1.00 0.00 N ATOM 364 CA THR A 24 5.504 20.115 -11.833 1.00 0.00 C ATOM 365 C THR A 24 6.198 20.746 -10.632 1.00 0.00 C ATOM 366 O THR A 24 5.946 21.901 -10.287 1.00 0.00 O ATOM 367 CB THR A 24 6.462 20.080 -13.024 1.00 0.00 C ATOM 368 OG1 THR A 24 6.540 21.351 -13.644 1.00 0.00 O ATOM 369 CG2 THR A 24 6.061 19.075 -14.082 1.00 0.00 C ATOM 0 H THR A 24 4.411 21.577 -12.867 1.00 0.00 H new ATOM 0 HA THR A 24 5.221 19.095 -11.571 1.00 0.00 H new ATOM 0 HB THR A 24 7.427 19.785 -12.611 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.159 21.308 -14.402 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.782 19.100 -14.899 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.041 18.076 -13.646 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.071 19.324 -14.464 1.00 0.00 H new ATOM 377 N MET A 25 7.075 19.973 -10.003 1.00 0.00 N ATOM 378 CA MET A 25 7.818 20.436 -8.838 1.00 0.00 C ATOM 379 C MET A 25 8.722 19.327 -8.315 1.00 0.00 C ATOM 380 O MET A 25 8.837 19.122 -7.106 1.00 0.00 O ATOM 381 CB MET A 25 6.857 20.890 -7.736 1.00 0.00 C ATOM 382 CG MET A 25 5.924 19.791 -7.256 1.00 0.00 C ATOM 383 SD MET A 25 4.482 19.587 -8.320 1.00 0.00 S ATOM 384 CE MET A 25 3.763 21.226 -8.236 1.00 0.00 C ATOM 0 H MET A 25 7.290 19.016 -10.283 1.00 0.00 H new ATOM 0 HA MET A 25 8.434 21.284 -9.137 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.436 21.260 -6.890 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.262 21.726 -8.105 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.472 18.850 -7.209 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.593 20.018 -6.242 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.702 21.146 -7.999 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.266 21.804 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.883 21.726 -9.197 1.00 0.00 H new ATOM 394 N LYS A 26 9.350 18.605 -9.238 1.00 0.00 N ATOM 395 CA LYS A 26 10.233 17.503 -8.879 1.00 0.00 C ATOM 396 C LYS A 26 11.699 17.824 -9.180 1.00 0.00 C ATOM 397 O LYS A 26 12.583 17.006 -8.919 1.00 0.00 O ATOM 398 CB LYS A 26 9.815 16.236 -9.625 1.00 0.00 C ATOM 399 CG LYS A 26 8.327 15.938 -9.537 1.00 0.00 C ATOM 400 CD LYS A 26 7.839 15.940 -8.099 1.00 0.00 C ATOM 401 CE LYS A 26 6.325 15.836 -8.028 1.00 0.00 C ATOM 402 NZ LYS A 26 5.811 16.138 -6.664 1.00 0.00 N ATOM 0 H LYS A 26 9.263 18.765 -10.242 1.00 0.00 H new ATOM 0 HA LYS A 26 10.143 17.345 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.096 16.333 -10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.371 15.389 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.772 16.681 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.123 14.968 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.288 15.106 -7.559 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.166 16.854 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.880 16.526 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.016 14.832 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.817 16.439 -6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.879 15.286 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.377 16.900 -6.241 1.00 0.00 H new ATOM 416 N MET A 27 11.958 19.008 -9.727 1.00 0.00 N ATOM 417 CA MET A 27 13.323 19.412 -10.051 1.00 0.00 C ATOM 418 C MET A 27 13.567 20.871 -9.681 1.00 0.00 C ATOM 419 O MET A 27 14.523 21.190 -8.974 1.00 0.00 O ATOM 420 CB MET A 27 13.617 19.195 -11.541 1.00 0.00 C ATOM 421 CG MET A 27 12.391 19.286 -12.438 1.00 0.00 C ATOM 422 SD MET A 27 11.375 17.800 -12.374 1.00 0.00 S ATOM 423 CE MET A 27 9.792 18.442 -12.913 1.00 0.00 C ATOM 0 H MET A 27 11.245 19.701 -9.954 1.00 0.00 H new ATOM 0 HA MET A 27 13.998 18.789 -9.465 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.348 19.935 -11.867 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.076 18.215 -11.670 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.790 20.146 -12.140 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.709 19.460 -13.466 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.028 18.193 -12.176 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.855 19.525 -13.018 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.528 17.999 -13.873 1.00 0.00 H new ATOM 433 N ARG A 28 12.697 21.753 -10.160 1.00 0.00 N ATOM 434 CA ARG A 28 12.819 23.177 -9.875 1.00 0.00 C ATOM 435 C ARG A 28 14.201 23.696 -10.264 1.00 0.00 C ATOM 436 O ARG A 28 14.691 24.669 -9.692 1.00 0.00 O ATOM 437 CB ARG A 28 12.563 23.444 -8.392 1.00 0.00 C ATOM 438 CG ARG A 28 11.400 22.646 -7.824 1.00 0.00 C ATOM 439 CD ARG A 28 11.872 21.616 -6.811 1.00 0.00 C ATOM 440 NE ARG A 28 10.758 20.879 -6.219 1.00 0.00 N ATOM 441 CZ ARG A 28 10.845 20.203 -5.078 1.00 0.00 C ATOM 442 NH1 ARG A 28 11.991 20.169 -4.412 1.00 0.00 N ATOM 443 NH2 ARG A 28 9.787 19.561 -4.602 1.00 0.00 N ATOM 0 H ARG A 28 11.900 21.507 -10.747 1.00 0.00 H new ATOM 0 HA ARG A 28 12.072 23.705 -10.468 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.465 23.208 -7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.367 24.507 -8.251 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.689 23.324 -7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.871 22.145 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.553 20.916 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.436 22.115 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 28 9.863 20.884 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.807 20.662 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.057 19.650 -3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.904 19.585 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.856 19.043 -3.726 1.00 0.00 H new ATOM 457 N TYR A 29 14.824 23.043 -11.240 1.00 0.00 N ATOM 458 CA TYR A 29 16.150 23.443 -11.699 1.00 0.00 C ATOM 459 C TYR A 29 16.173 24.924 -12.064 1.00 0.00 C ATOM 460 O TYR A 29 16.721 25.746 -11.329 1.00 0.00 O ATOM 461 CB TYR A 29 16.575 22.600 -12.905 1.00 0.00 C ATOM 462 CG TYR A 29 16.971 21.186 -12.549 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.734 20.922 -11.418 1.00 0.00 C ATOM 464 CD2 TYR A 29 16.583 20.115 -13.345 1.00 0.00 C ATOM 465 CE1 TYR A 29 18.099 19.630 -11.090 1.00 0.00 C ATOM 466 CE2 TYR A 29 16.944 18.821 -13.023 1.00 0.00 C ATOM 467 CZ TYR A 29 17.702 18.584 -11.896 1.00 0.00 C ATOM 468 OH TYR A 29 18.064 17.296 -11.573 1.00 0.00 O ATOM 0 H TYR A 29 14.433 22.237 -11.727 1.00 0.00 H new ATOM 0 HA TYR A 29 16.855 23.276 -10.885 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.755 22.568 -13.622 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.414 23.089 -13.401 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.047 21.739 -10.785 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.990 20.297 -14.229 1.00 0.00 H new ATOM 0 HE1 TYR A 29 18.692 19.441 -10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.634 17.999 -13.651 1.00 0.00 H new ATOM 0 HH TYR A 29 17.703 16.677 -12.242 1.00 0.00 H new ATOM 478 N GLU A 30 15.574 25.260 -13.202 1.00 0.00 N ATOM 479 CA GLU A 30 15.524 26.642 -13.665 1.00 0.00 C ATOM 480 C GLU A 30 14.250 26.895 -14.465 1.00 0.00 C ATOM 481 O GLU A 30 13.393 27.678 -14.058 1.00 0.00 O ATOM 482 CB GLU A 30 16.750 26.959 -14.523 1.00 0.00 C ATOM 483 CG GLU A 30 17.826 27.737 -13.784 1.00 0.00 C ATOM 484 CD GLU A 30 17.906 29.184 -14.226 1.00 0.00 C ATOM 485 OE1 GLU A 30 18.591 29.461 -15.232 1.00 0.00 O ATOM 486 OE2 GLU A 30 17.282 30.041 -13.567 1.00 0.00 O ATOM 0 H GLU A 30 15.115 24.592 -13.822 1.00 0.00 H new ATOM 0 HA GLU A 30 15.523 27.295 -12.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.176 26.026 -14.891 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.434 27.531 -15.395 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.626 27.699 -12.713 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.792 27.258 -13.946 1.00 0.00 H new ATOM 493 N HIS A 31 14.135 26.222 -15.604 1.00 0.00 N ATOM 494 CA HIS A 31 12.969 26.361 -16.467 1.00 0.00 C ATOM 495 C HIS A 31 12.775 25.106 -17.304 1.00 0.00 C ATOM 496 O HIS A 31 11.715 24.483 -17.282 1.00 0.00 O ATOM 497 CB HIS A 31 13.120 27.582 -17.377 1.00 0.00 C ATOM 498 CG HIS A 31 12.761 28.874 -16.712 1.00 0.00 C ATOM 499 ND1 HIS A 31 11.464 29.229 -16.402 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.539 29.902 -16.294 1.00 0.00 C ATOM 501 CE1 HIS A 31 11.459 30.418 -15.826 1.00 0.00 C ATOM 502 NE2 HIS A 31 12.705 30.847 -15.748 1.00 0.00 N ATOM 0 H HIS A 31 14.839 25.571 -15.952 1.00 0.00 H new ATOM 0 HA HIS A 31 12.090 26.501 -15.837 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.150 27.638 -17.728 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.491 27.449 -18.257 1.00 0.00 H new ATOM 0 HD2 HIS A 31 14.614 29.966 -16.375 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.585 30.948 -15.478 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.001 31.737 -15.347 1.00 0.00 H new ATOM 511 N ILE A 32 13.819 24.745 -18.028 1.00 0.00 N ATOM 512 CA ILE A 32 13.803 23.557 -18.877 1.00 0.00 C ATOM 513 C ILE A 32 12.630 23.586 -19.854 1.00 0.00 C ATOM 514 O ILE A 32 11.697 24.373 -19.702 1.00 0.00 O ATOM 515 CB ILE A 32 13.723 22.264 -18.038 1.00 0.00 C ATOM 516 CG1 ILE A 32 14.549 22.405 -16.756 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.203 21.072 -18.852 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.709 22.449 -15.499 1.00 0.00 C ATOM 0 H ILE A 32 14.699 25.260 -18.048 1.00 0.00 H new ATOM 0 HA ILE A 32 14.738 23.563 -19.437 1.00 0.00 H new ATOM 0 HB ILE A 32 12.682 22.096 -17.761 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.246 21.570 -16.689 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.146 23.315 -16.816 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.140 20.168 -18.246 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.576 20.960 -19.737 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.237 21.233 -19.158 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.359 22.550 -14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.030 23.300 -15.545 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.131 21.528 -15.415 1.00 0.00 H new ATOM 530 N ASP A 33 12.688 22.713 -20.855 1.00 0.00 N ATOM 531 CA ASP A 33 11.637 22.622 -21.863 1.00 0.00 C ATOM 532 C ASP A 33 10.681 21.485 -21.533 1.00 0.00 C ATOM 533 O ASP A 33 10.138 20.834 -22.426 1.00 0.00 O ATOM 534 CB ASP A 33 12.251 22.388 -23.238 1.00 0.00 C ATOM 535 CG ASP A 33 12.931 23.625 -23.790 1.00 0.00 C ATOM 536 OD1 ASP A 33 12.216 24.576 -24.171 1.00 0.00 O ATOM 537 OD2 ASP A 33 14.179 23.644 -23.844 1.00 0.00 O ATOM 0 H ASP A 33 13.456 22.055 -20.990 1.00 0.00 H new ATOM 0 HA ASP A 33 11.083 23.561 -21.869 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.976 21.577 -23.175 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.472 22.066 -23.930 1.00 0.00 H new ATOM 542 N HIS A 34 10.501 21.254 -20.237 1.00 0.00 N ATOM 543 CA HIS A 34 9.629 20.191 -19.721 1.00 0.00 C ATOM 544 C HIS A 34 8.445 19.900 -20.642 1.00 0.00 C ATOM 545 O HIS A 34 7.485 20.669 -20.701 1.00 0.00 O ATOM 546 CB HIS A 34 9.106 20.563 -18.332 1.00 0.00 C ATOM 547 CG HIS A 34 9.988 20.106 -17.212 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.591 20.974 -16.327 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.358 18.862 -16.825 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.295 20.284 -15.448 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.169 19.001 -15.728 1.00 0.00 N ATOM 0 H HIS A 34 10.957 21.800 -19.506 1.00 0.00 H new ATOM 0 HA HIS A 34 10.237 19.288 -19.667 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.993 21.646 -18.274 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.114 20.131 -18.200 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.068 17.933 -17.293 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.875 20.700 -14.638 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.604 18.236 -15.212 1.00 0.00 H new ATOM 560 N THR A 35 8.518 18.776 -21.347 1.00 0.00 N ATOM 561 CA THR A 35 7.451 18.369 -22.253 1.00 0.00 C ATOM 562 C THR A 35 6.454 17.477 -21.522 1.00 0.00 C ATOM 563 O THR A 35 6.804 16.817 -20.544 1.00 0.00 O ATOM 564 CB THR A 35 8.031 17.630 -23.461 1.00 0.00 C ATOM 565 OG1 THR A 35 9.249 18.223 -23.873 1.00 0.00 O ATOM 566 CG2 THR A 35 7.101 17.612 -24.654 1.00 0.00 C ATOM 0 H THR A 35 9.306 18.130 -21.308 1.00 0.00 H new ATOM 0 HA THR A 35 6.934 19.261 -22.606 1.00 0.00 H new ATOM 0 HB THR A 35 8.185 16.604 -23.126 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.605 17.736 -24.645 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.573 17.073 -25.475 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.170 17.116 -24.382 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.889 18.635 -24.966 1.00 0.00 H new ATOM 574 N PHE A 36 5.210 17.463 -21.990 1.00 0.00 N ATOM 575 CA PHE A 36 4.178 16.650 -21.359 1.00 0.00 C ATOM 576 C PHE A 36 3.371 15.866 -22.388 1.00 0.00 C ATOM 577 O PHE A 36 2.646 16.444 -23.196 1.00 0.00 O ATOM 578 CB PHE A 36 3.241 17.530 -20.531 1.00 0.00 C ATOM 579 CG PHE A 36 3.951 18.362 -19.503 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.199 17.857 -18.239 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.369 19.648 -19.803 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.853 18.619 -17.290 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.023 20.416 -18.858 1.00 0.00 C ATOM 584 CZ PHE A 36 5.265 19.899 -17.599 1.00 0.00 C ATOM 0 H PHE A 36 4.894 18.001 -22.797 1.00 0.00 H new ATOM 0 HA PHE A 36 4.679 15.936 -20.706 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.688 18.189 -21.201 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.508 16.896 -20.031 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.878 16.856 -17.991 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.182 20.055 -20.786 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.042 18.213 -16.307 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.344 21.418 -19.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.776 20.496 -16.858 1.00 0.00 H new ATOM 594 N GLU A 37 3.487 14.545 -22.337 1.00 0.00 N ATOM 595 CA GLU A 37 2.753 13.678 -23.248 1.00 0.00 C ATOM 596 C GLU A 37 1.361 13.409 -22.694 1.00 0.00 C ATOM 597 O GLU A 37 1.205 12.698 -21.700 1.00 0.00 O ATOM 598 CB GLU A 37 3.502 12.362 -23.455 1.00 0.00 C ATOM 599 CG GLU A 37 3.698 11.994 -24.916 1.00 0.00 C ATOM 600 CD GLU A 37 4.712 10.883 -25.106 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.446 9.752 -24.651 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.773 11.146 -25.710 1.00 0.00 O ATOM 0 H GLU A 37 4.083 14.051 -21.673 1.00 0.00 H new ATOM 0 HA GLU A 37 2.663 14.178 -24.213 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.477 12.429 -22.973 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.955 11.561 -22.958 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.743 11.686 -25.341 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.023 12.876 -25.469 1.00 0.00 H new ATOM 609 N ILE A 38 0.355 13.998 -23.330 1.00 0.00 N ATOM 610 CA ILE A 38 -1.023 13.838 -22.888 1.00 0.00 C ATOM 611 C ILE A 38 -1.711 12.693 -23.626 1.00 0.00 C ATOM 612 O ILE A 38 -1.469 12.459 -24.810 1.00 0.00 O ATOM 613 CB ILE A 38 -1.834 15.147 -23.080 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.334 16.234 -22.122 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.326 14.911 -22.862 1.00 0.00 C ATOM 616 CD1 ILE A 38 0.153 16.505 -22.214 1.00 0.00 C ATOM 0 H ILE A 38 0.469 14.590 -24.153 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.991 13.601 -21.825 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.686 15.480 -24.107 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.874 17.159 -22.326 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.576 15.942 -21.100 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.867 15.847 -23.004 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.686 14.172 -23.578 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.492 14.546 -21.849 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.425 17.286 -21.504 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.704 15.594 -21.980 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.402 16.830 -23.224 1.00 0.00 H new ATOM 628 N GLN A 39 -2.581 11.996 -22.908 1.00 0.00 N ATOM 629 CA GLN A 39 -3.333 10.880 -23.463 1.00 0.00 C ATOM 630 C GLN A 39 -4.699 10.806 -22.796 1.00 0.00 C ATOM 631 O GLN A 39 -4.791 10.561 -21.595 1.00 0.00 O ATOM 632 CB GLN A 39 -2.576 9.568 -23.252 1.00 0.00 C ATOM 633 CG GLN A 39 -3.034 8.447 -24.169 1.00 0.00 C ATOM 634 CD GLN A 39 -2.091 7.261 -24.154 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.409 6.206 -23.606 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.919 7.432 -24.757 1.00 0.00 N ATOM 0 H GLN A 39 -2.785 12.188 -21.927 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.461 11.036 -24.534 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.512 9.743 -23.410 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.697 9.251 -22.216 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.029 8.119 -23.868 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.118 8.827 -25.187 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.698 8.325 -25.199 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.241 6.671 -24.778 1.00 0.00 H new ATOM 645 N TYR A 40 -5.755 11.038 -23.568 1.00 0.00 N ATOM 646 CA TYR A 40 -7.110 11.011 -23.025 1.00 0.00 C ATOM 647 C TYR A 40 -7.975 9.963 -23.714 1.00 0.00 C ATOM 648 O TYR A 40 -8.351 10.115 -24.875 1.00 0.00 O ATOM 649 CB TYR A 40 -7.760 12.393 -23.150 1.00 0.00 C ATOM 650 CG TYR A 40 -7.719 12.967 -24.549 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.526 13.410 -25.109 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.877 13.067 -25.311 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.489 13.933 -26.387 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.846 13.590 -26.588 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.650 14.020 -27.122 1.00 0.00 C ATOM 656 OH TYR A 40 -7.618 14.540 -28.396 1.00 0.00 O ATOM 0 H TYR A 40 -5.701 11.246 -24.565 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.036 10.741 -21.972 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.799 12.325 -22.826 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.258 13.082 -22.471 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.613 13.344 -24.535 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.816 12.730 -24.897 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.554 14.272 -26.808 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.755 13.662 -27.167 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.824 15.104 -28.499 1.00 0.00 H new ATOM 666 N ARG A 41 -8.304 8.904 -22.977 1.00 0.00 N ATOM 667 CA ARG A 41 -9.142 7.831 -23.498 1.00 0.00 C ATOM 668 C ARG A 41 -10.556 7.955 -22.942 1.00 0.00 C ATOM 669 O ARG A 41 -10.971 9.036 -22.526 1.00 0.00 O ATOM 670 CB ARG A 41 -8.550 6.463 -23.143 1.00 0.00 C ATOM 671 CG ARG A 41 -8.693 6.099 -21.674 1.00 0.00 C ATOM 672 CD ARG A 41 -9.519 4.838 -21.481 1.00 0.00 C ATOM 673 NE ARG A 41 -8.742 3.763 -20.866 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.276 2.784 -20.137 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.587 2.731 -19.938 1.00 0.00 N ATOM 676 NH2 ARG A 41 -8.495 1.852 -19.608 1.00 0.00 N ATOM 0 H ARG A 41 -8.000 8.768 -22.013 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.180 7.917 -24.584 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.038 5.698 -23.747 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.493 6.454 -23.409 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.705 5.956 -21.237 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.161 6.925 -21.139 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.384 5.063 -20.857 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.901 4.503 -22.446 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.731 3.763 -21.003 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.194 3.443 -20.344 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.988 1.978 -19.379 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.487 1.885 -19.759 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.902 1.102 -19.050 1.00 0.00 H new ATOM 690 N LYS A 42 -11.297 6.853 -22.935 1.00 0.00 N ATOM 691 CA LYS A 42 -12.661 6.876 -22.428 1.00 0.00 C ATOM 692 C LYS A 42 -13.011 5.601 -21.685 1.00 0.00 C ATOM 693 O LYS A 42 -12.403 4.553 -21.899 1.00 0.00 O ATOM 694 CB LYS A 42 -13.645 7.079 -23.577 1.00 0.00 C ATOM 695 CG LYS A 42 -13.148 8.057 -24.615 1.00 0.00 C ATOM 696 CD LYS A 42 -13.990 8.009 -25.880 1.00 0.00 C ATOM 697 CE LYS A 42 -13.350 7.134 -26.945 1.00 0.00 C ATOM 698 NZ LYS A 42 -13.553 7.684 -28.315 1.00 0.00 N ATOM 0 H LYS A 42 -10.980 5.943 -23.271 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.732 7.707 -21.726 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.840 6.119 -24.055 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.594 7.434 -23.176 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.167 9.066 -24.203 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.110 7.832 -24.860 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.983 7.627 -25.643 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.122 9.019 -26.269 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.282 7.042 -26.746 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.772 6.130 -26.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.416 6.928 -29.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.518 8.063 -28.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.866 8.446 -28.489 1.00 0.00 H new ATOM 712 N ASP A 43 -14.023 5.697 -20.832 1.00 0.00 N ATOM 713 CA ASP A 43 -14.490 4.549 -20.079 1.00 0.00 C ATOM 714 C ASP A 43 -14.849 3.419 -21.042 1.00 0.00 C ATOM 715 O ASP A 43 -14.880 2.250 -20.658 1.00 0.00 O ATOM 716 CB ASP A 43 -15.696 4.943 -19.214 1.00 0.00 C ATOM 717 CG ASP A 43 -16.451 3.745 -18.665 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.797 2.744 -18.306 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.697 3.810 -18.595 1.00 0.00 O ATOM 0 H ASP A 43 -14.534 6.560 -20.647 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.699 4.200 -19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.354 5.561 -18.384 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.377 5.554 -19.807 1.00 0.00 H new ATOM 724 N THR A 44 -15.104 3.775 -22.304 1.00 0.00 N ATOM 725 CA THR A 44 -15.441 2.788 -23.320 1.00 0.00 C ATOM 726 C THR A 44 -14.204 2.426 -24.136 1.00 0.00 C ATOM 727 O THR A 44 -14.077 1.304 -24.626 1.00 0.00 O ATOM 728 CB THR A 44 -16.541 3.320 -24.240 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.140 4.530 -24.855 1.00 0.00 O ATOM 730 CG2 THR A 44 -17.848 3.581 -23.521 1.00 0.00 C ATOM 0 H THR A 44 -15.082 4.738 -22.641 1.00 0.00 H new ATOM 0 HA THR A 44 -15.809 1.891 -22.821 1.00 0.00 H new ATOM 0 HB THR A 44 -16.702 2.536 -24.980 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.857 4.853 -25.440 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.585 3.957 -24.231 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.211 2.654 -23.078 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.690 4.321 -22.736 1.00 0.00 H new ATOM 738 N ALA A 45 -13.289 3.384 -24.273 1.00 0.00 N ATOM 739 CA ALA A 45 -12.058 3.165 -25.024 1.00 0.00 C ATOM 740 C ALA A 45 -11.016 2.449 -24.171 1.00 0.00 C ATOM 741 O ALA A 45 -11.098 2.457 -22.941 1.00 0.00 O ATOM 742 CB ALA A 45 -11.507 4.490 -25.530 1.00 0.00 C ATOM 0 H ALA A 45 -13.378 4.318 -23.873 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.290 2.530 -25.879 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.588 4.312 -26.089 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.241 4.965 -26.181 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.296 5.143 -24.683 1.00 0.00 H new ATOM 748 N THR A 46 -10.038 1.832 -24.826 1.00 0.00 N ATOM 749 CA THR A 46 -8.981 1.110 -24.123 1.00 0.00 C ATOM 750 C THR A 46 -7.611 1.710 -24.432 1.00 0.00 C ATOM 751 O THR A 46 -6.700 1.016 -24.885 1.00 0.00 O ATOM 752 CB THR A 46 -9.012 -0.372 -24.503 1.00 0.00 C ATOM 753 OG1 THR A 46 -10.054 -0.632 -25.426 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.213 -1.289 -23.316 1.00 0.00 C ATOM 0 H THR A 46 -9.954 1.817 -25.842 1.00 0.00 H new ATOM 0 HA THR A 46 -9.157 1.203 -23.051 1.00 0.00 H new ATOM 0 HB THR A 46 -8.036 -0.578 -24.941 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.268 -1.588 -25.417 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.225 -2.325 -23.655 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.398 -1.149 -22.606 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.161 -1.054 -22.831 1.00 0.00 H new ATOM 762 N TRP A 47 -7.471 3.007 -24.181 1.00 0.00 N ATOM 763 CA TRP A 47 -6.213 3.704 -24.431 1.00 0.00 C ATOM 764 C TRP A 47 -5.796 3.584 -25.895 1.00 0.00 C ATOM 765 O TRP A 47 -4.632 3.796 -26.235 1.00 0.00 O ATOM 766 CB TRP A 47 -5.110 3.145 -23.531 1.00 0.00 C ATOM 767 CG TRP A 47 -5.299 3.469 -22.082 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.414 2.580 -21.052 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.395 4.774 -21.499 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.576 3.252 -19.866 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.567 4.599 -20.113 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.351 6.073 -22.014 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.697 5.673 -19.237 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.479 7.139 -21.143 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.650 6.934 -19.768 1.00 0.00 C ATOM 0 H TRP A 47 -8.213 3.598 -23.805 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.365 4.759 -24.203 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.069 2.062 -23.650 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.149 3.539 -23.861 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.382 1.505 -21.155 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.685 2.818 -18.949 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.219 6.241 -23.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.830 5.517 -18.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.447 8.147 -21.529 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.747 7.788 -19.114 1.00 0.00 H new ATOM 786 N LYS A 48 -6.750 3.246 -26.759 1.00 0.00 N ATOM 787 CA LYS A 48 -6.474 3.103 -28.183 1.00 0.00 C ATOM 788 C LYS A 48 -6.894 4.357 -28.940 1.00 0.00 C ATOM 789 O LYS A 48 -6.166 4.849 -29.803 1.00 0.00 O ATOM 790 CB LYS A 48 -7.207 1.886 -28.749 1.00 0.00 C ATOM 791 CG LYS A 48 -6.588 0.560 -28.341 1.00 0.00 C ATOM 792 CD LYS A 48 -7.608 -0.347 -27.672 1.00 0.00 C ATOM 793 CE LYS A 48 -7.001 -1.692 -27.308 1.00 0.00 C ATOM 794 NZ LYS A 48 -8.043 -2.733 -27.092 1.00 0.00 N ATOM 0 H LYS A 48 -7.719 3.067 -26.497 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.401 2.961 -28.308 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.245 1.910 -28.417 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.219 1.953 -29.837 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.178 0.063 -29.220 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.756 0.740 -27.660 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.992 0.136 -26.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.456 -0.498 -28.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.327 -2.013 -28.102 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.401 -1.586 -26.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.659 -3.489 -26.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.869 -2.306 -26.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.330 -3.132 -28.008 1.00 0.00 H new ATOM 808 N ASP A 49 -8.073 4.870 -28.608 1.00 0.00 N ATOM 809 CA ASP A 49 -8.593 6.069 -29.251 1.00 0.00 C ATOM 810 C ASP A 49 -8.063 7.338 -28.580 1.00 0.00 C ATOM 811 O ASP A 49 -8.368 8.448 -29.017 1.00 0.00 O ATOM 812 CB ASP A 49 -10.123 6.065 -29.217 1.00 0.00 C ATOM 813 CG ASP A 49 -10.721 5.050 -30.171 1.00 0.00 C ATOM 814 OD1 ASP A 49 -10.436 3.844 -30.011 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.477 5.461 -31.076 1.00 0.00 O ATOM 0 H ASP A 49 -8.687 4.473 -27.896 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.253 6.065 -30.287 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.460 5.849 -28.203 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.492 7.059 -29.471 1.00 0.00 H new ATOM 820 N SER A 50 -7.276 7.175 -27.517 1.00 0.00 N ATOM 821 CA SER A 50 -6.721 8.316 -26.800 1.00 0.00 C ATOM 822 C SER A 50 -5.778 9.118 -27.690 1.00 0.00 C ATOM 823 O SER A 50 -4.701 8.646 -28.057 1.00 0.00 O ATOM 824 CB SER A 50 -5.984 7.850 -25.543 1.00 0.00 C ATOM 825 OG SER A 50 -5.106 6.777 -25.833 1.00 0.00 O ATOM 0 H SER A 50 -7.011 6.267 -27.137 1.00 0.00 H new ATOM 0 HA SER A 50 -7.549 8.962 -26.508 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.420 8.681 -25.120 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.707 7.539 -24.789 1.00 0.00 H new ATOM 0 HG SER A 50 -4.630 6.961 -26.670 1.00 0.00 H new ATOM 831 N LYS A 51 -6.190 10.333 -28.034 1.00 0.00 N ATOM 832 CA LYS A 51 -5.384 11.205 -28.879 1.00 0.00 C ATOM 833 C LYS A 51 -4.152 11.704 -28.134 1.00 0.00 C ATOM 834 O LYS A 51 -4.260 12.482 -27.186 1.00 0.00 O ATOM 835 CB LYS A 51 -6.220 12.392 -29.356 1.00 0.00 C ATOM 836 CG LYS A 51 -6.307 12.504 -30.867 1.00 0.00 C ATOM 837 CD LYS A 51 -5.771 13.839 -31.356 1.00 0.00 C ATOM 838 CE LYS A 51 -5.335 13.764 -32.810 1.00 0.00 C ATOM 839 NZ LYS A 51 -3.964 13.199 -32.952 1.00 0.00 N ATOM 0 H LYS A 51 -7.079 10.737 -27.740 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.051 10.628 -29.742 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.227 12.304 -28.948 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.793 13.311 -28.956 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.742 11.693 -31.327 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.344 12.389 -31.183 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.539 14.604 -31.244 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.927 14.142 -30.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.040 13.149 -33.369 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.364 14.761 -33.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.705 13.165 -33.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.286 13.799 -32.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.942 12.237 -32.556 1.00 0.00 H new ATOM 853 N THR A 52 -2.982 11.255 -28.572 1.00 0.00 N ATOM 854 CA THR A 52 -1.728 11.660 -27.950 1.00 0.00 C ATOM 855 C THR A 52 -1.415 13.116 -28.266 1.00 0.00 C ATOM 856 O THR A 52 -1.015 13.448 -29.381 1.00 0.00 O ATOM 857 CB THR A 52 -0.578 10.771 -28.426 1.00 0.00 C ATOM 858 OG1 THR A 52 -0.790 9.426 -28.034 1.00 0.00 O ATOM 859 CG2 THR A 52 0.770 11.201 -27.887 1.00 0.00 C ATOM 0 H THR A 52 -2.876 10.610 -29.355 1.00 0.00 H new ATOM 0 HA THR A 52 -1.839 11.549 -26.871 1.00 0.00 H new ATOM 0 HB THR A 52 -0.565 10.868 -29.512 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.045 8.872 -28.349 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.543 10.530 -28.262 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.984 12.219 -28.213 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.755 11.164 -26.798 1.00 0.00 H new ATOM 867 N GLU A 53 -1.599 13.984 -27.278 1.00 0.00 N ATOM 868 CA GLU A 53 -1.332 15.404 -27.454 1.00 0.00 C ATOM 869 C GLU A 53 0.072 15.748 -26.981 1.00 0.00 C ATOM 870 O GLU A 53 0.506 15.312 -25.915 1.00 0.00 O ATOM 871 CB GLU A 53 -2.361 16.239 -26.693 1.00 0.00 C ATOM 872 CG GLU A 53 -3.232 17.101 -27.594 1.00 0.00 C ATOM 873 CD GLU A 53 -4.278 16.293 -28.338 1.00 0.00 C ATOM 874 OE1 GLU A 53 -4.070 15.075 -28.516 1.00 0.00 O ATOM 875 OE2 GLU A 53 -5.304 16.880 -28.741 1.00 0.00 O ATOM 0 H GLU A 53 -1.932 13.728 -26.348 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.408 15.636 -28.516 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.000 15.573 -26.113 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.841 16.881 -25.982 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.727 17.864 -26.993 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.601 17.622 -28.314 1.00 0.00 H new ATOM 882 N THR A 54 0.780 16.531 -27.784 1.00 0.00 N ATOM 883 CA THR A 54 2.137 16.932 -27.455 1.00 0.00 C ATOM 884 C THR A 54 2.151 18.319 -26.817 1.00 0.00 C ATOM 885 O THR A 54 2.206 19.333 -27.512 1.00 0.00 O ATOM 886 CB THR A 54 3.002 16.919 -28.714 1.00 0.00 C ATOM 887 OG1 THR A 54 2.211 17.139 -29.869 1.00 0.00 O ATOM 888 CG2 THR A 54 3.748 15.616 -28.910 1.00 0.00 C ATOM 0 H THR A 54 0.434 16.901 -28.669 1.00 0.00 H new ATOM 0 HA THR A 54 2.545 16.222 -26.735 1.00 0.00 H new ATOM 0 HB THR A 54 3.728 17.720 -28.576 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.783 17.129 -30.664 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.344 15.671 -29.821 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.404 15.441 -28.058 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.034 14.797 -28.993 1.00 0.00 H new ATOM 896 N LEU A 55 2.100 18.352 -25.489 1.00 0.00 N ATOM 897 CA LEU A 55 2.105 19.610 -24.751 1.00 0.00 C ATOM 898 C LEU A 55 3.521 20.163 -24.634 1.00 0.00 C ATOM 899 O LEU A 55 4.311 19.703 -23.810 1.00 0.00 O ATOM 900 CB LEU A 55 1.503 19.406 -23.355 1.00 0.00 C ATOM 901 CG LEU A 55 -0.013 19.632 -23.225 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.301 21.042 -22.734 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.739 19.361 -24.537 1.00 0.00 C ATOM 0 H LEU A 55 2.055 17.520 -24.901 1.00 0.00 H new ATOM 0 HA LEU A 55 1.498 20.331 -25.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.726 18.389 -23.032 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.009 20.079 -22.663 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.390 18.921 -22.490 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.378 21.184 -22.648 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.164 21.190 -21.759 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.105 21.764 -23.443 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.807 19.532 -24.404 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.358 20.030 -25.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.572 18.327 -24.839 1.00 0.00 H new ATOM 915 N GLN A 56 3.835 21.152 -25.464 1.00 0.00 N ATOM 916 CA GLN A 56 5.157 21.767 -25.456 1.00 0.00 C ATOM 917 C GLN A 56 5.265 22.821 -24.359 1.00 0.00 C ATOM 918 O GLN A 56 4.689 23.903 -24.465 1.00 0.00 O ATOM 919 CB GLN A 56 5.457 22.400 -26.816 1.00 0.00 C ATOM 920 CG GLN A 56 6.516 21.656 -27.614 1.00 0.00 C ATOM 921 CD GLN A 56 7.924 22.075 -27.243 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.221 23.264 -27.127 1.00 0.00 O ATOM 923 NE2 GLN A 56 8.802 21.097 -27.055 1.00 0.00 N ATOM 0 H GLN A 56 3.192 21.545 -26.151 1.00 0.00 H new ATOM 0 HA GLN A 56 5.889 20.985 -25.255 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.537 22.441 -27.399 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.784 23.429 -26.664 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.404 20.584 -27.449 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.356 21.833 -28.678 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.513 20.125 -27.162 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.766 21.318 -26.804 1.00 0.00 H new ATOM 932 N ASN A 57 6.010 22.497 -23.303 1.00 0.00 N ATOM 933 CA ASN A 57 6.200 23.417 -22.179 1.00 0.00 C ATOM 934 C ASN A 57 4.877 24.059 -21.761 1.00 0.00 C ATOM 935 O ASN A 57 4.765 25.283 -21.682 1.00 0.00 O ATOM 936 CB ASN A 57 7.235 24.507 -22.516 1.00 0.00 C ATOM 937 CG ASN A 57 7.485 24.668 -24.005 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.776 25.405 -24.690 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.497 23.974 -24.512 1.00 0.00 N ATOM 0 H ASN A 57 6.493 21.604 -23.201 1.00 0.00 H new ATOM 0 HA ASN A 57 6.579 22.831 -21.342 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.894 25.459 -22.108 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.177 24.268 -22.022 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.713 24.040 -25.507 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.059 23.375 -23.907 1.00 0.00 H new ATOM 946 N ALA A 58 3.883 23.221 -21.488 1.00 0.00 N ATOM 947 CA ALA A 58 2.570 23.698 -21.068 1.00 0.00 C ATOM 948 C ALA A 58 2.153 23.039 -19.762 1.00 0.00 C ATOM 949 O ALA A 58 2.706 22.010 -19.372 1.00 0.00 O ATOM 950 CB ALA A 58 1.534 23.427 -22.150 1.00 0.00 C ATOM 0 H ALA A 58 3.962 22.206 -21.550 1.00 0.00 H new ATOM 0 HA ALA A 58 2.633 24.774 -20.907 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.560 23.789 -21.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.822 23.942 -23.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.477 22.355 -22.339 1.00 0.00 H new ATOM 956 N HIS A 59 1.179 23.632 -19.084 1.00 0.00 N ATOM 957 CA HIS A 59 0.704 23.089 -17.821 1.00 0.00 C ATOM 958 C HIS A 59 -0.789 22.792 -17.873 1.00 0.00 C ATOM 959 O HIS A 59 -1.470 22.797 -16.847 1.00 0.00 O ATOM 960 CB HIS A 59 1.013 24.051 -16.673 1.00 0.00 C ATOM 961 CG HIS A 59 2.254 23.691 -15.916 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.531 24.165 -14.651 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.296 22.895 -16.254 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.690 23.677 -14.244 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.174 22.903 -15.198 1.00 0.00 N ATOM 0 H HIS A 59 0.706 24.484 -19.386 1.00 0.00 H new ATOM 0 HA HIS A 59 1.229 22.150 -17.644 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.119 25.060 -17.072 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.168 24.068 -15.985 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.415 22.354 -17.181 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.161 23.877 -13.293 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.057 22.394 -15.157 1.00 0.00 H new ATOM 974 N SER A 60 -1.291 22.521 -19.072 1.00 0.00 N ATOM 975 CA SER A 60 -2.703 22.210 -19.254 1.00 0.00 C ATOM 976 C SER A 60 -3.055 22.094 -20.731 1.00 0.00 C ATOM 977 O SER A 60 -2.426 22.719 -21.585 1.00 0.00 O ATOM 978 CB SER A 60 -3.580 23.273 -18.594 1.00 0.00 C ATOM 979 OG SER A 60 -3.069 24.575 -18.821 1.00 0.00 O ATOM 0 H SER A 60 -0.742 22.510 -19.931 1.00 0.00 H new ATOM 0 HA SER A 60 -2.892 21.248 -18.777 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.595 23.205 -18.986 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.639 23.085 -17.522 1.00 0.00 H new ATOM 0 HG SER A 60 -3.651 25.235 -18.389 1.00 0.00 H new ATOM 985 N MET A 61 -4.069 21.288 -21.019 1.00 0.00 N ATOM 986 CA MET A 61 -4.520 21.077 -22.387 1.00 0.00 C ATOM 987 C MET A 61 -5.985 21.476 -22.529 1.00 0.00 C ATOM 988 O MET A 61 -6.711 21.572 -21.539 1.00 0.00 O ATOM 989 CB MET A 61 -4.326 19.610 -22.777 1.00 0.00 C ATOM 990 CG MET A 61 -4.702 19.293 -24.215 1.00 0.00 C ATOM 991 SD MET A 61 -4.644 17.525 -24.570 1.00 0.00 S ATOM 992 CE MET A 61 -6.090 17.340 -25.611 1.00 0.00 C ATOM 0 H MET A 61 -4.597 20.767 -20.318 1.00 0.00 H new ATOM 0 HA MET A 61 -3.927 21.701 -23.056 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.283 19.338 -22.618 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.923 18.987 -22.111 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.706 19.668 -24.416 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.025 19.818 -24.889 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.482 16.328 -25.512 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.853 18.056 -25.305 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.816 17.523 -26.650 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.416 21.700 -23.763 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.794 22.078 -24.033 1.00 0.00 C ATOM 1004 C ALA A 62 -8.532 20.923 -24.686 1.00 0.00 C ATOM 1005 O ALA A 62 -8.888 20.984 -25.863 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.842 23.316 -24.916 1.00 0.00 C ATOM 0 H ALA A 62 -5.829 21.626 -24.594 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.286 22.315 -23.090 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.880 23.586 -25.109 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.340 24.142 -24.412 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.340 23.109 -25.861 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.741 19.861 -23.907 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.420 18.654 -24.381 1.00 0.00 C ATOM 1014 C LEU A 63 -10.545 18.980 -25.366 1.00 0.00 C ATOM 1015 O LEU A 63 -11.674 19.259 -24.964 1.00 0.00 O ATOM 1016 CB LEU A 63 -9.980 17.868 -23.196 1.00 0.00 C ATOM 1017 CG LEU A 63 -8.955 17.460 -22.137 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.663 17.026 -20.864 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.060 16.346 -22.661 1.00 0.00 C ATOM 0 H LEU A 63 -8.445 19.813 -22.932 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.682 18.049 -24.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.753 18.468 -22.717 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.464 16.968 -23.575 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.327 18.321 -21.909 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.924 16.738 -20.117 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.263 17.852 -20.481 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.311 16.177 -21.080 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.337 16.069 -21.894 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.669 15.479 -22.915 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.532 16.691 -23.550 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.237 18.962 -26.674 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.196 19.268 -27.725 1.00 0.00 C ATOM 1033 C PRO A 64 -11.884 18.031 -28.307 1.00 0.00 C ATOM 1034 O PRO A 64 -13.112 17.960 -28.350 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.312 19.928 -28.780 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.956 19.307 -28.610 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.914 18.664 -27.238 1.00 0.00 C ATOM 0 HA PRO A 64 -12.020 19.881 -27.360 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.701 19.754 -29.783 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.270 21.008 -28.638 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.775 18.564 -29.387 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.175 20.062 -28.703 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.739 17.590 -27.304 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.114 19.080 -26.625 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.089 17.072 -28.776 1.00 0.00 N ATOM 1046 CA ALA A 65 -11.627 15.856 -29.380 1.00 0.00 C ATOM 1047 C ALA A 65 -12.145 14.871 -28.335 1.00 0.00 C ATOM 1048 O ALA A 65 -11.643 13.754 -28.219 1.00 0.00 O ATOM 1049 CB ALA A 65 -10.568 15.195 -30.252 1.00 0.00 C ATOM 0 H ALA A 65 -10.070 17.114 -28.749 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.478 16.146 -29.997 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.978 14.289 -30.698 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.265 15.883 -31.041 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.702 14.939 -29.642 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.167 15.277 -27.590 1.00 0.00 N ATOM 1056 CA LEU A 66 -13.755 14.409 -26.577 1.00 0.00 C ATOM 1057 C LEU A 66 -15.108 13.884 -27.048 1.00 0.00 C ATOM 1058 O LEU A 66 -15.446 13.991 -28.227 1.00 0.00 O ATOM 1059 CB LEU A 66 -13.909 15.148 -25.242 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.668 15.906 -24.748 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.756 16.134 -23.246 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.385 15.158 -25.091 1.00 0.00 C ATOM 0 H LEU A 66 -13.603 16.196 -27.667 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.083 13.565 -26.424 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.731 15.857 -25.334 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.196 14.424 -24.479 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.640 16.870 -25.257 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.871 16.672 -22.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.646 16.720 -23.019 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.814 15.173 -22.735 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.526 15.722 -24.727 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.400 14.175 -24.620 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.310 15.041 -26.172 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.876 13.309 -26.128 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.185 12.762 -26.468 1.00 0.00 C ATOM 1076 C GLU A 67 -18.152 12.870 -25.289 1.00 0.00 C ATOM 1077 O GLU A 67 -17.803 12.529 -24.160 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.049 11.297 -26.891 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.016 11.098 -28.398 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.245 9.655 -28.799 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -16.414 8.798 -28.431 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.257 9.381 -29.479 1.00 0.00 O ATOM 0 H GLU A 67 -15.617 13.210 -25.147 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.588 13.344 -27.297 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.137 10.886 -26.459 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.882 10.729 -26.476 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.778 11.725 -28.861 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.052 11.430 -28.784 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.388 13.341 -25.539 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.401 13.482 -24.494 1.00 0.00 C ATOM 1091 C PRO A 68 -21.073 12.155 -24.157 1.00 0.00 C ATOM 1092 O PRO A 68 -20.948 11.182 -24.900 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.406 14.446 -25.116 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.318 14.186 -26.579 1.00 0.00 C ATOM 1095 CD PRO A 68 -19.896 13.766 -26.857 1.00 0.00 C ATOM 0 HA PRO A 68 -19.976 13.831 -23.553 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.413 14.265 -24.741 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.160 15.482 -24.882 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.018 13.405 -26.877 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.576 15.079 -27.148 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.854 12.954 -27.582 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.309 14.589 -27.265 1.00 0.00 H new ATOM 1103 N SER A 69 -21.782 12.122 -23.035 1.00 0.00 N ATOM 1104 CA SER A 69 -22.469 10.910 -22.606 1.00 0.00 C ATOM 1105 C SER A 69 -21.489 9.747 -22.479 1.00 0.00 C ATOM 1106 O SER A 69 -21.857 8.588 -22.667 1.00 0.00 O ATOM 1107 CB SER A 69 -23.578 10.552 -23.599 1.00 0.00 C ATOM 1108 OG SER A 69 -23.062 9.821 -24.698 1.00 0.00 O ATOM 0 H SER A 69 -21.896 12.918 -22.407 1.00 0.00 H new ATOM 0 HA SER A 69 -22.912 11.097 -21.628 1.00 0.00 H new ATOM 0 HB2 SER A 69 -24.346 9.964 -23.095 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.058 11.463 -23.957 1.00 0.00 H new ATOM 0 HG SER A 69 -22.435 10.383 -25.199 1.00 0.00 H new ATOM 1114 N THR A 70 -20.240 10.067 -22.159 1.00 0.00 N ATOM 1115 CA THR A 70 -19.205 9.053 -22.007 1.00 0.00 C ATOM 1116 C THR A 70 -18.100 9.543 -21.078 1.00 0.00 C ATOM 1117 O THR A 70 -17.783 10.732 -21.051 1.00 0.00 O ATOM 1118 CB THR A 70 -18.615 8.691 -23.371 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.642 8.510 -24.328 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.781 7.429 -23.348 1.00 0.00 C ATOM 0 H THR A 70 -19.920 11.022 -22.000 1.00 0.00 H new ATOM 0 HA THR A 70 -19.660 8.165 -21.567 1.00 0.00 H new ATOM 0 HB THR A 70 -17.969 9.528 -23.637 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.961 9.384 -24.635 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.393 7.231 -24.347 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.949 7.555 -22.655 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.398 6.591 -23.025 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.512 8.623 -20.322 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.440 8.971 -19.401 1.00 0.00 C ATOM 1130 C ARG A 71 -15.119 9.110 -20.147 1.00 0.00 C ATOM 1131 O ARG A 71 -14.910 8.475 -21.181 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.312 7.916 -18.300 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.505 8.477 -16.899 1.00 0.00 C ATOM 1134 CD ARG A 71 -17.009 7.414 -15.935 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.317 7.472 -14.650 1.00 0.00 N ATOM 1136 CZ ARG A 71 -16.284 6.463 -13.787 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -16.907 5.327 -14.069 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -15.628 6.589 -12.641 1.00 0.00 N ATOM 0 H ARG A 71 -17.760 7.634 -20.329 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.685 9.928 -18.940 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -17.047 7.130 -18.473 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.328 7.452 -18.365 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.560 8.881 -16.535 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.214 9.304 -16.932 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -18.079 7.545 -15.777 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.871 6.428 -16.378 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.833 8.335 -14.402 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.412 5.227 -14.949 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.881 4.553 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.148 7.462 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.604 5.813 -11.979 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.235 9.949 -19.623 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.940 10.173 -20.250 1.00 0.00 C ATOM 1154 C TYR A 72 -11.801 9.990 -19.253 1.00 0.00 C ATOM 1155 O TYR A 72 -11.716 10.700 -18.251 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.881 11.569 -20.872 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.168 11.573 -22.357 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.419 11.213 -22.840 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.187 11.928 -23.274 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.685 11.208 -24.196 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.445 11.924 -24.633 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.694 11.563 -25.088 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.955 11.555 -26.439 1.00 0.00 O ATOM 0 H TYR A 72 -14.391 10.484 -18.768 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.819 9.430 -21.038 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.600 12.215 -20.368 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.893 11.995 -20.698 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.196 10.932 -22.145 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.207 12.212 -22.920 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.664 10.928 -24.556 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.671 12.202 -25.333 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.251 11.057 -26.905 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.925 9.035 -19.546 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.782 8.752 -18.688 1.00 0.00 C ATOM 1175 C TRP A 73 -8.495 9.196 -19.365 1.00 0.00 C ATOM 1176 O TRP A 73 -8.066 8.599 -20.352 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.712 7.258 -18.368 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.897 6.757 -17.604 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -12.187 6.693 -18.043 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.901 6.249 -16.265 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.994 6.176 -17.060 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -12.228 5.896 -15.958 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.912 6.058 -15.297 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.591 5.362 -14.725 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -10.273 5.529 -14.071 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.602 5.186 -13.795 1.00 0.00 C ATOM 0 H TRP A 73 -10.986 8.443 -20.374 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.904 9.306 -17.757 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.627 6.698 -19.299 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.808 7.059 -17.793 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.524 7.004 -19.021 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.000 6.025 -17.137 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.884 6.319 -15.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.615 5.096 -14.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.517 5.378 -13.314 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.852 4.774 -12.828 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.885 10.252 -18.845 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.657 10.765 -19.429 1.00 0.00 C ATOM 1199 C ALA A 74 -5.494 10.715 -18.446 1.00 0.00 C ATOM 1200 O ALA A 74 -5.688 10.645 -17.232 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.867 12.183 -19.935 1.00 0.00 C ATOM 0 H ALA A 74 -8.217 10.765 -18.028 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.398 10.121 -20.270 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.939 12.555 -20.370 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.650 12.187 -20.693 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.162 12.825 -19.105 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.284 10.757 -18.991 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.070 10.725 -18.188 1.00 0.00 C ATOM 1209 C ARG A 75 -2.030 11.668 -18.782 1.00 0.00 C ATOM 1210 O ARG A 75 -2.246 12.243 -19.849 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.510 9.302 -18.118 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.517 8.580 -19.456 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.952 7.173 -19.340 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.265 6.362 -20.513 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.825 5.120 -20.691 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.056 4.548 -19.775 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.155 4.448 -21.786 1.00 0.00 N ATOM 0 H ARG A 75 -4.118 10.814 -19.996 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.312 11.051 -17.177 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.488 9.341 -17.740 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.094 8.726 -17.400 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.537 8.532 -19.838 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.932 9.148 -20.179 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.871 7.225 -19.213 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.355 6.692 -18.448 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.855 6.772 -21.237 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.801 5.061 -18.931 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.720 3.595 -19.914 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.747 4.884 -22.493 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.817 3.495 -21.921 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.908 11.830 -18.094 1.00 0.00 N ATOM 1232 CA VAL A 76 0.143 12.715 -18.577 1.00 0.00 C ATOM 1233 C VAL A 76 1.503 12.353 -17.988 1.00 0.00 C ATOM 1234 O VAL A 76 1.633 12.136 -16.785 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.180 14.193 -18.257 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.050 14.508 -16.781 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.642 15.116 -19.144 1.00 0.00 C ATOM 0 H VAL A 76 -0.703 11.366 -17.209 1.00 0.00 H new ATOM 0 HA VAL A 76 0.189 12.585 -19.658 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.237 14.361 -18.465 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.187 15.555 -16.591 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.592 13.874 -16.169 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.093 14.320 -16.527 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.405 16.153 -18.908 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.703 14.938 -18.970 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.408 14.919 -20.190 1.00 0.00 H new ATOM 1247 N ARG A 77 2.518 12.313 -18.843 1.00 0.00 N ATOM 1248 CA ARG A 77 3.869 12.004 -18.398 1.00 0.00 C ATOM 1249 C ARG A 77 4.774 13.210 -18.614 1.00 0.00 C ATOM 1250 O ARG A 77 4.669 13.902 -19.625 1.00 0.00 O ATOM 1251 CB ARG A 77 4.421 10.784 -19.134 1.00 0.00 C ATOM 1252 CG ARG A 77 3.990 10.697 -20.586 1.00 0.00 C ATOM 1253 CD ARG A 77 5.036 9.986 -21.427 1.00 0.00 C ATOM 1254 NE ARG A 77 4.646 8.618 -21.745 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.458 7.737 -22.322 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.698 8.083 -22.642 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.032 6.508 -22.580 1.00 0.00 N ATOM 0 H ARG A 77 2.431 12.490 -19.844 1.00 0.00 H new ATOM 0 HA ARG A 77 3.838 11.769 -17.334 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.510 10.806 -19.089 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.099 9.882 -18.615 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.041 10.165 -20.655 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.823 11.700 -20.979 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.196 10.541 -22.351 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.986 9.977 -20.892 1.00 0.00 H new ATOM 0 HE ARG A 77 3.699 8.320 -21.512 1.00 0.00 H new ATOM 0 HH11 ARG A 77 7.031 9.027 -22.446 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.319 7.405 -23.084 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.080 6.237 -22.336 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.657 5.834 -23.023 1.00 0.00 H new ATOM 1271 N VAL A 78 5.652 13.467 -17.654 1.00 0.00 N ATOM 1272 CA VAL A 78 6.561 14.604 -17.743 1.00 0.00 C ATOM 1273 C VAL A 78 7.915 14.192 -18.300 1.00 0.00 C ATOM 1274 O VAL A 78 8.390 13.083 -18.062 1.00 0.00 O ATOM 1275 CB VAL A 78 6.769 15.275 -16.372 1.00 0.00 C ATOM 1276 CG1 VAL A 78 7.481 14.329 -15.417 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.545 16.575 -16.526 1.00 0.00 C ATOM 0 H VAL A 78 5.755 12.907 -16.808 1.00 0.00 H new ATOM 0 HA VAL A 78 6.094 15.318 -18.422 1.00 0.00 H new ATOM 0 HB VAL A 78 5.792 15.511 -15.951 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.619 14.820 -14.454 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.882 13.429 -15.282 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.453 14.059 -15.829 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.682 17.035 -15.547 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.519 16.367 -16.969 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.990 17.256 -17.172 1.00 0.00 H new ATOM 1287 N ARG A 79 8.532 15.104 -19.039 1.00 0.00 N ATOM 1288 CA ARG A 79 9.838 14.856 -19.631 1.00 0.00 C ATOM 1289 C ARG A 79 10.780 16.011 -19.324 1.00 0.00 C ATOM 1290 O ARG A 79 10.367 17.168 -19.312 1.00 0.00 O ATOM 1291 CB ARG A 79 9.711 14.679 -21.144 1.00 0.00 C ATOM 1292 CG ARG A 79 11.045 14.506 -21.854 1.00 0.00 C ATOM 1293 CD ARG A 79 10.979 15.007 -23.288 1.00 0.00 C ATOM 1294 NE ARG A 79 12.275 14.933 -23.957 1.00 0.00 N ATOM 1295 CZ ARG A 79 12.426 14.992 -25.275 1.00 0.00 C ATOM 1296 NH1 ARG A 79 11.365 15.117 -26.062 1.00 0.00 N ATOM 1297 NH2 ARG A 79 13.638 14.925 -25.811 1.00 0.00 N ATOM 0 H ARG A 79 8.146 16.026 -19.243 1.00 0.00 H new ATOM 0 HA ARG A 79 10.245 13.940 -19.202 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.086 13.810 -21.348 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.198 15.546 -21.560 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.820 15.049 -21.313 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.329 13.454 -21.847 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.250 14.417 -23.844 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.626 16.038 -23.295 1.00 0.00 H new ATOM 0 HE ARG A 79 13.110 14.830 -23.380 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.431 15.168 -25.655 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.483 15.162 -27.074 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.457 14.828 -25.210 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.751 14.971 -26.824 1.00 0.00 H new ATOM 1311 N THR A 80 12.045 15.698 -19.085 1.00 0.00 N ATOM 1312 CA THR A 80 13.033 16.723 -18.793 1.00 0.00 C ATOM 1313 C THR A 80 14.149 16.663 -19.812 1.00 0.00 C ATOM 1314 O THR A 80 15.250 16.192 -19.535 1.00 0.00 O ATOM 1315 CB THR A 80 13.586 16.573 -17.377 1.00 0.00 C ATOM 1316 OG1 THR A 80 14.919 17.047 -17.297 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.572 15.149 -16.862 1.00 0.00 C ATOM 0 H THR A 80 12.410 14.745 -19.088 1.00 0.00 H new ATOM 0 HA THR A 80 12.548 17.697 -18.853 1.00 0.00 H new ATOM 0 HB THR A 80 12.918 17.169 -16.755 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.499 16.488 -17.855 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.980 15.124 -15.851 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.548 14.777 -16.850 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.179 14.520 -17.514 1.00 0.00 H new ATOM 1325 N SER A 81 13.835 17.141 -21.000 1.00 0.00 N ATOM 1326 CA SER A 81 14.785 17.146 -22.097 1.00 0.00 C ATOM 1327 C SER A 81 16.116 17.759 -21.670 1.00 0.00 C ATOM 1328 O SER A 81 17.165 17.443 -22.233 1.00 0.00 O ATOM 1329 CB SER A 81 14.202 17.887 -23.297 1.00 0.00 C ATOM 1330 OG SER A 81 15.202 18.595 -24.011 1.00 0.00 O ATOM 0 H SER A 81 12.923 17.534 -21.232 1.00 0.00 H new ATOM 0 HA SER A 81 14.977 16.113 -22.388 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.714 17.175 -23.963 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.435 18.583 -22.958 1.00 0.00 H new ATOM 0 HG SER A 81 14.795 19.057 -24.774 1.00 0.00 H new ATOM 1336 N ARG A 82 16.058 18.636 -20.665 1.00 0.00 N ATOM 1337 CA ARG A 82 17.241 19.315 -20.130 1.00 0.00 C ATOM 1338 C ARG A 82 18.270 19.629 -21.217 1.00 0.00 C ATOM 1339 O ARG A 82 19.471 19.642 -20.957 1.00 0.00 O ATOM 1340 CB ARG A 82 17.884 18.471 -19.029 1.00 0.00 C ATOM 1341 CG ARG A 82 17.918 19.163 -17.674 1.00 0.00 C ATOM 1342 CD ARG A 82 19.263 18.981 -16.991 1.00 0.00 C ATOM 1343 NE ARG A 82 19.556 17.575 -16.725 1.00 0.00 N ATOM 1344 CZ ARG A 82 20.783 17.101 -16.533 1.00 0.00 C ATOM 1345 NH1 ARG A 82 21.826 17.918 -16.572 1.00 0.00 N ATOM 1346 NH2 ARG A 82 20.967 15.809 -16.301 1.00 0.00 N ATOM 0 H ARG A 82 15.189 18.896 -20.199 1.00 0.00 H new ATOM 0 HA ARG A 82 16.906 20.265 -19.713 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.337 17.533 -18.935 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.902 18.218 -19.324 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.714 20.226 -17.802 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.129 18.761 -17.039 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.048 19.402 -17.619 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.272 19.537 -16.053 1.00 0.00 H new ATOM 0 HE ARG A 82 18.775 16.920 -16.684 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.688 18.913 -16.750 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.766 17.552 -16.424 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.167 15.177 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 82 21.909 15.446 -16.154 1.00 0.00 H new ATOM 1360 N THR A 83 17.782 19.892 -22.428 1.00 0.00 N ATOM 1361 CA THR A 83 18.643 20.219 -23.562 1.00 0.00 C ATOM 1362 C THR A 83 19.568 19.060 -23.936 1.00 0.00 C ATOM 1363 O THR A 83 19.447 18.489 -25.020 1.00 0.00 O ATOM 1364 CB THR A 83 19.463 21.477 -23.265 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.580 21.175 -22.447 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.662 22.557 -22.571 1.00 0.00 C ATOM 0 H THR A 83 16.786 19.885 -22.649 1.00 0.00 H new ATOM 0 HA THR A 83 17.994 20.407 -24.417 1.00 0.00 H new ATOM 0 HB THR A 83 19.783 21.848 -24.239 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.270 20.873 -21.568 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.299 23.422 -22.388 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.824 22.851 -23.203 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.285 22.177 -21.621 1.00 0.00 H new ATOM 1374 N GLY A 84 20.499 18.724 -23.047 1.00 0.00 N ATOM 1375 CA GLY A 84 21.432 17.645 -23.328 1.00 0.00 C ATOM 1376 C GLY A 84 21.189 16.400 -22.494 1.00 0.00 C ATOM 1377 O GLY A 84 22.123 15.647 -22.216 1.00 0.00 O ATOM 0 H GLY A 84 20.624 19.177 -22.142 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.365 17.384 -24.384 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.448 17.999 -23.151 1.00 0.00 H new ATOM 1381 N TYR A 85 19.942 16.172 -22.100 1.00 0.00 N ATOM 1382 CA TYR A 85 19.602 14.997 -21.303 1.00 0.00 C ATOM 1383 C TYR A 85 19.111 13.865 -22.211 1.00 0.00 C ATOM 1384 O TYR A 85 18.601 14.111 -23.306 1.00 0.00 O ATOM 1385 CB TYR A 85 18.556 15.376 -20.227 1.00 0.00 C ATOM 1386 CG TYR A 85 17.258 14.589 -20.262 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.431 14.654 -21.367 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.863 13.798 -19.190 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.239 13.957 -21.416 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.673 13.093 -19.228 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.862 13.178 -20.342 1.00 0.00 C ATOM 1392 OH TYR A 85 13.678 12.481 -20.384 1.00 0.00 O ATOM 0 H TYR A 85 19.153 16.781 -22.317 1.00 0.00 H new ATOM 0 HA TYR A 85 20.491 14.635 -20.787 1.00 0.00 H new ATOM 0 HB2 TYR A 85 19.010 15.248 -19.245 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.320 16.435 -20.334 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.723 15.263 -22.210 1.00 0.00 H new ATOM 0 HD2 TYR A 85 17.493 13.733 -18.315 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.607 14.022 -22.289 1.00 0.00 H new ATOM 0 HE2 TYR A 85 15.380 12.479 -18.390 1.00 0.00 H new ATOM 0 HH TYR A 85 13.349 12.450 -21.307 1.00 0.00 H new ATOM 1402 N ASN A 86 19.269 12.629 -21.751 1.00 0.00 N ATOM 1403 CA ASN A 86 18.843 11.466 -22.523 1.00 0.00 C ATOM 1404 C ASN A 86 17.327 11.269 -22.437 1.00 0.00 C ATOM 1405 O ASN A 86 16.703 11.606 -21.433 1.00 0.00 O ATOM 1406 CB ASN A 86 19.597 10.211 -22.057 1.00 0.00 C ATOM 1407 CG ASN A 86 18.959 9.543 -20.858 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.031 8.324 -20.700 1.00 0.00 O ATOM 1409 ND2 ASN A 86 18.332 10.339 -20.008 1.00 0.00 N ATOM 0 H ASN A 86 19.688 12.406 -20.848 1.00 0.00 H new ATOM 0 HA ASN A 86 19.088 11.641 -23.571 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.645 9.497 -22.880 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.623 10.482 -21.810 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.882 9.948 -19.180 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.298 11.344 -20.180 1.00 0.00 H new ATOM 1416 N GLY A 87 16.742 10.726 -23.501 1.00 0.00 N ATOM 1417 CA GLY A 87 15.307 10.499 -23.528 1.00 0.00 C ATOM 1418 C GLY A 87 14.885 9.308 -22.689 1.00 0.00 C ATOM 1419 O GLY A 87 14.999 8.162 -23.126 1.00 0.00 O ATOM 0 H GLY A 87 17.236 10.439 -24.346 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.796 11.391 -23.167 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.988 10.343 -24.558 1.00 0.00 H new ATOM 1423 N ILE A 88 14.401 9.579 -21.481 1.00 0.00 N ATOM 1424 CA ILE A 88 13.966 8.525 -20.577 1.00 0.00 C ATOM 1425 C ILE A 88 12.514 8.736 -20.152 1.00 0.00 C ATOM 1426 O ILE A 88 11.704 7.812 -20.202 1.00 0.00 O ATOM 1427 CB ILE A 88 14.893 8.456 -19.333 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.216 7.739 -18.162 1.00 0.00 C ATOM 1429 CG2 ILE A 88 15.328 9.852 -18.909 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.015 6.258 -18.394 1.00 0.00 C ATOM 0 H ILE A 88 14.301 10.523 -21.107 1.00 0.00 H new ATOM 0 HA ILE A 88 14.029 7.576 -21.109 1.00 0.00 H new ATOM 0 HB ILE A 88 15.774 7.880 -19.616 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.818 7.879 -17.264 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.248 8.203 -17.973 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.977 9.781 -18.036 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.870 10.328 -19.726 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.449 10.447 -18.661 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.530 5.816 -17.523 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.388 6.109 -19.273 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.982 5.780 -18.553 1.00 0.00 H new ATOM 1442 N TRP A 89 12.224 9.954 -19.717 1.00 0.00 N ATOM 1443 CA TRP A 89 10.889 10.346 -19.250 1.00 0.00 C ATOM 1444 C TRP A 89 10.594 9.827 -17.849 1.00 0.00 C ATOM 1445 O TRP A 89 11.402 9.122 -17.245 1.00 0.00 O ATOM 1446 CB TRP A 89 9.793 9.868 -20.202 1.00 0.00 C ATOM 1447 CG TRP A 89 9.770 10.618 -21.485 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.731 10.617 -22.447 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.737 11.490 -21.939 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.354 11.434 -23.488 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.128 11.983 -23.196 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.513 11.898 -21.401 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.336 12.867 -23.926 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.729 12.774 -22.122 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.142 13.252 -23.374 1.00 0.00 C ATOM 0 H TRP A 89 12.909 10.708 -19.675 1.00 0.00 H new ATOM 0 HA TRP A 89 10.890 11.436 -19.225 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.937 8.808 -20.410 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.825 9.968 -19.712 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.654 10.058 -22.401 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.895 11.604 -24.336 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.187 11.534 -20.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.651 13.235 -24.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.782 13.097 -21.716 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.506 13.938 -23.914 1.00 0.00 H new ATOM 1466 N SER A 90 9.415 10.189 -17.347 1.00 0.00 N ATOM 1467 CA SER A 90 8.976 9.775 -16.020 1.00 0.00 C ATOM 1468 C SER A 90 8.331 8.393 -16.070 1.00 0.00 C ATOM 1469 O SER A 90 8.945 7.397 -15.691 1.00 0.00 O ATOM 1470 CB SER A 90 7.988 10.795 -15.449 1.00 0.00 C ATOM 1471 OG SER A 90 6.960 11.094 -16.381 1.00 0.00 O ATOM 0 H SER A 90 8.743 10.773 -17.845 1.00 0.00 H new ATOM 0 HA SER A 90 9.850 9.724 -15.371 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.548 10.404 -14.532 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.519 11.709 -15.184 1.00 0.00 H new ATOM 0 HG SER A 90 7.295 11.735 -17.043 1.00 0.00 H new ATOM 1477 N GLU A 91 7.089 8.340 -16.546 1.00 0.00 N ATOM 1478 CA GLU A 91 6.366 7.078 -16.650 1.00 0.00 C ATOM 1479 C GLU A 91 4.933 7.301 -17.130 1.00 0.00 C ATOM 1480 O GLU A 91 4.628 7.099 -18.305 1.00 0.00 O ATOM 1481 CB GLU A 91 6.358 6.346 -15.303 1.00 0.00 C ATOM 1482 CG GLU A 91 6.385 7.272 -14.096 1.00 0.00 C ATOM 1483 CD GLU A 91 5.333 6.915 -13.064 1.00 0.00 C ATOM 1484 OE1 GLU A 91 4.183 6.637 -13.462 1.00 0.00 O ATOM 1485 OE2 GLU A 91 5.660 6.915 -11.859 1.00 0.00 O ATOM 0 H GLU A 91 6.565 9.155 -16.865 1.00 0.00 H new ATOM 0 HA GLU A 91 6.883 6.461 -17.385 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.468 5.719 -15.247 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.220 5.681 -15.257 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.371 7.231 -13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.230 8.299 -14.427 1.00 0.00 H new ATOM 1492 N TRP A 92 4.061 7.718 -16.217 1.00 0.00 N ATOM 1493 CA TRP A 92 2.660 7.966 -16.548 1.00 0.00 C ATOM 1494 C TRP A 92 1.884 8.410 -15.309 1.00 0.00 C ATOM 1495 O TRP A 92 1.881 7.716 -14.292 1.00 0.00 O ATOM 1496 CB TRP A 92 2.021 6.699 -17.124 1.00 0.00 C ATOM 1497 CG TRP A 92 2.018 6.647 -18.621 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.496 5.636 -19.403 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.514 7.645 -19.517 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.318 5.942 -20.730 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.718 7.170 -20.827 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.908 8.891 -19.340 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.338 7.897 -21.951 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.532 9.614 -20.457 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.747 9.114 -21.749 1.00 0.00 C ATOM 0 H TRP A 92 4.299 7.892 -15.241 1.00 0.00 H new ATOM 0 HA TRP A 92 2.622 8.761 -17.292 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.554 5.829 -16.741 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.994 6.627 -16.766 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.948 4.728 -19.033 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.589 5.351 -21.516 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.736 9.283 -18.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.504 7.514 -22.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.065 10.580 -20.332 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.440 9.701 -22.602 1.00 0.00 H new ATOM 1516 N SER A 93 1.226 9.562 -15.395 1.00 0.00 N ATOM 1517 CA SER A 93 0.450 10.078 -14.271 1.00 0.00 C ATOM 1518 C SER A 93 -0.820 9.259 -14.071 1.00 0.00 C ATOM 1519 O SER A 93 -1.321 8.636 -15.007 1.00 0.00 O ATOM 1520 CB SER A 93 0.086 11.547 -14.494 1.00 0.00 C ATOM 1521 OG SER A 93 -0.819 11.691 -15.574 1.00 0.00 O ATOM 0 H SER A 93 1.214 10.153 -16.226 1.00 0.00 H new ATOM 0 HA SER A 93 1.066 9.999 -13.375 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.358 11.956 -13.587 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.990 12.122 -14.694 1.00 0.00 H new ATOM 0 HG SER A 93 -1.601 12.204 -15.280 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.339 9.266 -12.846 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.556 8.523 -12.530 1.00 0.00 C ATOM 1529 C GLU A 94 -3.660 8.842 -13.533 1.00 0.00 C ATOM 1530 O GLU A 94 -3.900 10.003 -13.862 1.00 0.00 O ATOM 1531 CB GLU A 94 -3.029 8.850 -11.112 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.968 7.806 -10.533 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.234 6.718 -9.773 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.121 6.345 -10.198 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -3.774 6.240 -8.753 1.00 0.00 O ATOM 0 H GLU A 94 -0.938 9.776 -12.059 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.328 7.459 -12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.160 8.948 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.532 9.817 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.680 8.293 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.545 7.354 -11.340 1.00 0.00 H new ATOM 1542 N ALA A 95 -4.326 7.801 -14.020 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.400 7.967 -14.991 1.00 0.00 C ATOM 1544 C ALA A 95 -6.636 8.596 -14.354 1.00 0.00 C ATOM 1545 O ALA A 95 -7.384 7.932 -13.637 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.752 6.627 -15.619 1.00 0.00 C ATOM 0 H ALA A 95 -4.141 6.833 -13.758 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.047 8.643 -15.770 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.556 6.764 -16.343 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.875 6.220 -16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.078 5.935 -14.842 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.840 9.881 -14.622 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.981 10.607 -14.080 1.00 0.00 C ATOM 1554 C ARG A 96 -9.205 10.451 -14.978 1.00 0.00 C ATOM 1555 O ARG A 96 -9.113 10.596 -16.197 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.628 12.088 -13.926 1.00 0.00 C ATOM 1557 CG ARG A 96 -7.395 12.533 -12.489 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.670 11.476 -11.667 1.00 0.00 C ATOM 1559 NE ARG A 96 -5.917 12.066 -10.564 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.573 11.402 -9.465 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -5.911 10.128 -9.321 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -4.891 12.013 -8.507 1.00 0.00 N ATOM 0 H ARG A 96 -6.227 10.442 -15.214 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.222 10.189 -13.102 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.731 12.298 -14.508 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.432 12.687 -14.353 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.813 13.455 -12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.353 12.760 -12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.394 10.763 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.992 10.917 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.639 13.044 -10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.437 9.654 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.645 9.622 -8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.630 12.993 -8.613 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.627 11.503 -7.664 1.00 0.00 H new ATOM 1576 N SER A 97 -10.348 10.156 -14.366 1.00 0.00 N ATOM 1577 CA SER A 97 -11.591 9.982 -15.109 1.00 0.00 C ATOM 1578 C SER A 97 -12.583 11.092 -14.779 1.00 0.00 C ATOM 1579 O SER A 97 -12.776 11.439 -13.613 1.00 0.00 O ATOM 1580 CB SER A 97 -12.213 8.618 -14.795 1.00 0.00 C ATOM 1581 OG SER A 97 -13.097 8.702 -13.690 1.00 0.00 O ATOM 0 H SER A 97 -10.439 10.033 -13.358 1.00 0.00 H new ATOM 0 HA SER A 97 -11.357 10.031 -16.173 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.752 8.251 -15.669 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.425 7.896 -14.580 1.00 0.00 H new ATOM 0 HG SER A 97 -13.528 7.833 -13.549 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.211 11.643 -15.812 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.185 12.713 -15.631 1.00 0.00 C ATOM 1589 C TRP A 98 -15.355 12.552 -16.597 1.00 0.00 C ATOM 1590 O TRP A 98 -15.219 11.944 -17.659 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.518 14.078 -15.815 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.208 14.414 -17.241 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -13.966 15.174 -18.080 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.059 14.006 -17.992 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.360 15.264 -19.310 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.187 14.554 -19.278 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.935 13.232 -17.705 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.232 14.351 -20.266 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.989 13.032 -18.689 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.145 13.592 -19.958 1.00 0.00 C ATOM 0 H TRP A 98 -13.063 11.367 -16.783 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.575 12.652 -14.615 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.170 14.849 -15.404 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.594 14.101 -15.237 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.905 15.638 -17.817 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.723 15.775 -20.115 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.807 12.795 -16.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.349 14.783 -21.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.116 12.434 -18.475 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.389 13.420 -20.710 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.506 13.095 -16.214 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.707 13.008 -17.039 1.00 0.00 C ATOM 1613 C ASP A 99 -17.708 14.085 -18.117 1.00 0.00 C ATOM 1614 O ASP A 99 -17.012 15.093 -18.003 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.961 13.141 -16.171 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.821 12.441 -14.833 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -17.968 11.535 -14.723 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.564 12.799 -13.896 1.00 0.00 O ATOM 0 H ASP A 99 -16.633 13.600 -15.337 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.710 12.032 -17.525 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.172 14.197 -16.004 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.815 12.726 -16.707 1.00 0.00 H new ATOM 1623 N THR A 100 -18.495 13.865 -19.164 1.00 0.00 N ATOM 1624 CA THR A 100 -18.589 14.817 -20.265 1.00 0.00 C ATOM 1625 C THR A 100 -20.008 15.375 -20.406 1.00 0.00 C ATOM 1626 O THR A 100 -20.289 16.136 -21.331 1.00 0.00 O ATOM 1627 CB THR A 100 -18.162 14.154 -21.573 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.743 12.868 -21.698 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.662 13.994 -21.699 1.00 0.00 C ATOM 0 H THR A 100 -19.078 13.035 -19.274 1.00 0.00 H new ATOM 0 HA THR A 100 -17.919 15.648 -20.042 1.00 0.00 H new ATOM 0 HB THR A 100 -18.509 14.821 -22.362 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.198 12.214 -21.213 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.426 13.517 -22.650 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.187 14.974 -21.657 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.292 13.376 -20.881 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.897 14.995 -19.488 1.00 0.00 N ATOM 1638 CA GLU A 101 -22.279 15.464 -19.519 1.00 0.00 C ATOM 1639 C GLU A 101 -23.010 14.947 -20.755 1.00 0.00 C ATOM 1640 O GLU A 101 -22.391 14.411 -21.675 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.322 16.994 -19.488 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.747 17.593 -18.214 1.00 0.00 C ATOM 1643 CD GLU A 101 -22.535 17.205 -16.979 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.753 16.955 -17.107 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -21.936 17.150 -15.885 1.00 0.00 O ATOM 0 H GLU A 101 -20.683 14.364 -18.715 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.785 15.074 -18.636 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.770 17.382 -20.344 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -23.355 17.323 -19.600 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.713 17.267 -18.098 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.730 18.679 -18.303 1.00 0.00 H new ATOM 1652 N SER A 102 -24.329 15.112 -20.769 1.00 0.00 N ATOM 1653 CA SER A 102 -25.145 14.664 -21.893 1.00 0.00 C ATOM 1654 C SER A 102 -25.570 15.844 -22.759 1.00 0.00 C ATOM 1655 O SER A 102 -24.859 16.871 -22.748 1.00 0.00 O ATOM 1656 CB SER A 102 -26.382 13.916 -21.388 1.00 0.00 C ATOM 1657 OG SER A 102 -26.066 13.094 -20.278 1.00 0.00 O ATOM 1658 OXT SER A 102 -26.610 15.732 -23.441 1.00 0.00 O ATOM 0 H SER A 102 -24.856 15.553 -20.015 1.00 0.00 H new ATOM 0 HA SER A 102 -24.543 13.988 -22.500 1.00 0.00 H new ATOM 0 HB2 SER A 102 -27.153 14.632 -21.105 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.794 13.305 -22.191 1.00 0.00 H new ATOM 0 HG SER A 102 -26.874 12.629 -19.975 1.00 0.00 H new