USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 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 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 SER OG : rot -90:sc= -0.138 USER MOD Set 2.2: A 13 HIS : no HE2:sc= 0.176 K(o=0.039,f=-8.6!) USER MOD Single : A 1 MET CE :methyl -114:sc= -0.0256 (180deg=-0.12) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.085) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.685 K(o=-0.69,f=-5.5!) USER MOD Single : A 16 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 131:sc= 0.908! USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0419) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0.205 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot -177:sc= -1.15 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 76 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.39) USER MOD Single : A 82 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.165 9.184 -7.958 1.00 0.00 N ATOM 2 CA MET A 1 -9.822 9.575 -8.479 1.00 0.00 C ATOM 3 C MET A 1 -8.731 9.188 -7.476 1.00 0.00 C ATOM 4 O MET A 1 -7.748 9.885 -7.316 1.00 0.00 O ATOM 5 CB MET A 1 -9.885 11.094 -8.641 1.00 0.00 C ATOM 6 CG MET A 1 -9.445 11.477 -10.057 1.00 0.00 C ATOM 7 SD MET A 1 -10.832 12.233 -10.944 1.00 0.00 S ATOM 8 CE MET A 1 -11.636 10.697 -11.464 1.00 0.00 C ATOM 0 H1 MET A 1 -11.905 9.584 -8.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.246 8.147 -7.950 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.281 9.548 -6.991 1.00 0.00 H new ATOM 0 HA MET A 1 -9.583 9.075 -9.417 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.899 11.448 -8.456 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.240 11.576 -7.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.607 12.173 -10.012 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.097 10.593 -10.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.590 10.612 -12.550 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.125 9.847 -11.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.678 10.706 -11.145 1.00 0.00 H new ATOM 20 N VAL A 2 -8.893 8.084 -6.799 1.00 0.00 N ATOM 21 CA VAL A 2 -7.862 7.658 -5.809 1.00 0.00 C ATOM 22 C VAL A 2 -6.786 6.811 -6.497 1.00 0.00 C ATOM 23 O VAL A 2 -7.069 6.044 -7.395 1.00 0.00 O ATOM 24 CB VAL A 2 -8.621 6.823 -4.780 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.665 6.391 -3.667 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.755 7.657 -4.179 1.00 0.00 C ATOM 0 H VAL A 2 -9.694 7.459 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.355 8.507 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.037 5.941 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.207 5.795 -2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.857 5.796 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.249 7.274 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.296 7.060 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.339 8.540 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.438 7.966 -4.970 1.00 0.00 H new ATOM 36 N LYS A 3 -5.556 6.945 -6.082 1.00 0.00 N ATOM 37 CA LYS A 3 -4.467 6.143 -6.715 1.00 0.00 C ATOM 38 C LYS A 3 -3.475 5.657 -5.658 1.00 0.00 C ATOM 39 O LYS A 3 -2.998 6.420 -4.842 1.00 0.00 O ATOM 40 CB LYS A 3 -3.782 7.103 -7.688 1.00 0.00 C ATOM 41 CG LYS A 3 -4.197 6.758 -9.119 1.00 0.00 C ATOM 42 CD LYS A 3 -4.616 8.033 -9.853 1.00 0.00 C ATOM 43 CE LYS A 3 -6.071 7.906 -10.311 1.00 0.00 C ATOM 44 NZ LYS A 3 -6.336 9.149 -11.089 1.00 0.00 N ATOM 0 H LYS A 3 -5.257 7.572 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.852 5.255 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.058 8.132 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.699 7.032 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.370 6.280 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.022 6.045 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.505 8.896 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.967 8.200 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.216 7.017 -10.925 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.747 7.820 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.316 9.138 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.196 9.978 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.682 9.200 -11.896 1.00 0.00 H new ATOM 58 N ILE A 4 -3.149 4.392 -5.671 1.00 0.00 N ATOM 59 CA ILE A 4 -2.179 3.869 -4.676 1.00 0.00 C ATOM 60 C ILE A 4 -0.812 3.684 -5.334 1.00 0.00 C ATOM 61 O ILE A 4 -0.701 3.172 -6.427 1.00 0.00 O ATOM 62 CB ILE A 4 -2.748 2.538 -4.201 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.023 2.795 -3.404 1.00 0.00 C ATOM 64 CG2 ILE A 4 -1.728 1.824 -3.307 1.00 0.00 C ATOM 65 CD1 ILE A 4 -4.665 1.460 -3.037 1.00 0.00 C ATOM 0 H ILE A 4 -3.514 3.702 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.038 4.552 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.969 1.911 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.794 3.362 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.717 3.397 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.141 0.873 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.813 1.643 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.503 2.448 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.577 1.639 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.908 0.911 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.970 0.875 -2.435 1.00 0.00 H new ATOM 77 N ARG A 5 0.232 4.097 -4.678 1.00 0.00 N ATOM 78 CA ARG A 5 1.583 3.942 -5.267 1.00 0.00 C ATOM 79 C ARG A 5 2.622 3.810 -4.158 1.00 0.00 C ATOM 80 O ARG A 5 2.306 3.905 -2.989 1.00 0.00 O ATOM 81 CB ARG A 5 1.818 5.214 -6.088 1.00 0.00 C ATOM 82 CG ARG A 5 1.895 6.428 -5.156 1.00 0.00 C ATOM 83 CD ARG A 5 0.994 7.542 -5.692 1.00 0.00 C ATOM 84 NE ARG A 5 1.829 8.264 -6.695 1.00 0.00 N ATOM 85 CZ ARG A 5 2.778 9.089 -6.312 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.026 9.288 -5.041 1.00 0.00 N ATOM 87 NH2 ARG A 5 3.486 9.717 -7.212 1.00 0.00 N ATOM 0 H ARG A 5 0.206 4.536 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 5 1.664 3.049 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.742 5.123 -6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.010 5.347 -6.808 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.584 6.147 -4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.924 6.781 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.092 7.135 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.673 8.209 -4.892 1.00 0.00 H new ATOM 0 HE ARG A 5 1.662 8.116 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.479 8.799 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.766 9.932 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.301 9.566 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.224 10.359 -6.923 1.00 0.00 H new ATOM 101 N LEU A 6 3.863 3.623 -4.508 1.00 0.00 N ATOM 102 CA LEU A 6 4.906 3.520 -3.455 1.00 0.00 C ATOM 103 C LEU A 6 5.441 4.921 -3.143 1.00 0.00 C ATOM 104 O LEU A 6 5.775 5.683 -4.028 1.00 0.00 O ATOM 105 CB LEU A 6 6.003 2.608 -4.022 1.00 0.00 C ATOM 106 CG LEU A 6 6.672 3.261 -5.231 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.829 4.145 -4.762 1.00 0.00 C ATOM 108 CD2 LEU A 6 7.215 2.171 -6.158 1.00 0.00 C ATOM 0 H LEU A 6 4.197 3.538 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 6 4.521 3.105 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.748 2.404 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.573 1.649 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 6 5.942 3.870 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.305 4.610 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.448 4.920 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.559 3.536 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.693 2.633 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.945 1.566 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.395 1.537 -6.493 1.00 0.00 H new ATOM 120 N ALA A 7 5.500 5.270 -1.888 1.00 0.00 N ATOM 121 CA ALA A 7 5.985 6.620 -1.498 1.00 0.00 C ATOM 122 C ALA A 7 7.449 6.525 -1.078 1.00 0.00 C ATOM 123 O ALA A 7 7.954 5.450 -0.873 1.00 0.00 O ATOM 124 CB ALA A 7 5.105 6.993 -0.309 1.00 0.00 C ATOM 0 H ALA A 7 5.230 4.670 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 7 5.928 7.355 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.386 7.981 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.060 7.004 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.240 6.261 0.487 1.00 0.00 H new ATOM 130 N ARG A 8 8.143 7.625 -0.968 1.00 0.00 N ATOM 131 CA ARG A 8 9.577 7.547 -0.583 1.00 0.00 C ATOM 132 C ARG A 8 9.897 8.470 0.597 1.00 0.00 C ATOM 133 O ARG A 8 9.786 9.677 0.508 1.00 0.00 O ATOM 134 CB ARG A 8 10.339 7.983 -1.837 1.00 0.00 C ATOM 135 CG ARG A 8 11.835 8.074 -1.530 1.00 0.00 C ATOM 136 CD ARG A 8 12.271 9.541 -1.548 1.00 0.00 C ATOM 137 NE ARG A 8 13.566 9.567 -0.811 1.00 0.00 N ATOM 138 CZ ARG A 8 14.055 10.696 -0.351 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.417 11.827 -0.521 1.00 0.00 N ATOM 140 NH2 ARG A 8 15.195 10.689 0.285 1.00 0.00 N ATOM 0 H ARG A 8 7.781 8.565 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 8 9.852 6.545 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.167 7.271 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.970 8.949 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.045 7.633 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.403 7.505 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.390 9.905 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.530 10.179 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 8 14.079 8.698 -0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.526 11.840 -1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.811 12.695 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.698 9.812 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.583 11.561 0.646 1.00 0.00 H new ATOM 154 N PHE A 9 10.309 7.901 1.696 1.00 0.00 N ATOM 155 CA PHE A 9 10.661 8.731 2.894 1.00 0.00 C ATOM 156 C PHE A 9 12.056 8.344 3.391 1.00 0.00 C ATOM 157 O PHE A 9 12.875 7.842 2.647 1.00 0.00 O ATOM 158 CB PHE A 9 9.642 8.405 4.001 1.00 0.00 C ATOM 159 CG PHE A 9 8.369 7.826 3.449 1.00 0.00 C ATOM 160 CD1 PHE A 9 8.306 6.465 3.179 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.253 8.640 3.236 1.00 0.00 C ATOM 162 CE1 PHE A 9 7.136 5.911 2.696 1.00 0.00 C ATOM 163 CE2 PHE A 9 6.069 8.081 2.755 1.00 0.00 C ATOM 164 CZ PHE A 9 6.013 6.713 2.486 1.00 0.00 C ATOM 0 H PHE A 9 10.419 6.895 1.821 1.00 0.00 H new ATOM 0 HA PHE A 9 10.646 9.791 2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.085 7.700 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.414 9.312 4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.171 5.840 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.307 9.699 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.090 4.854 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.201 8.703 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.099 6.274 2.115 1.00 0.00 H new ATOM 174 N GLY A 10 12.318 8.551 4.654 1.00 0.00 N ATOM 175 CA GLY A 10 13.640 8.173 5.216 1.00 0.00 C ATOM 176 C GLY A 10 14.647 9.307 5.015 1.00 0.00 C ATOM 177 O GLY A 10 15.346 9.360 4.023 1.00 0.00 O ATOM 0 H GLY A 10 11.668 8.968 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.541 7.950 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.002 7.266 4.732 1.00 0.00 H new ATOM 181 N SER A 11 14.741 10.208 5.957 1.00 0.00 N ATOM 182 CA SER A 11 15.720 11.325 5.821 1.00 0.00 C ATOM 183 C SER A 11 17.118 10.742 5.605 1.00 0.00 C ATOM 184 O SER A 11 17.848 11.141 4.719 1.00 0.00 O ATOM 185 CB SER A 11 15.638 12.087 7.154 1.00 0.00 C ATOM 186 OG SER A 11 16.742 11.741 7.982 1.00 0.00 O ATOM 0 H SER A 11 14.184 10.219 6.812 1.00 0.00 H new ATOM 0 HA SER A 11 15.509 11.981 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.635 13.161 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.703 11.848 7.662 1.00 0.00 H new ATOM 0 HG SER A 11 16.505 10.969 8.537 1.00 0.00 H new ATOM 192 N LYS A 12 17.487 9.794 6.420 1.00 0.00 N ATOM 193 CA LYS A 12 18.826 9.159 6.294 1.00 0.00 C ATOM 194 C LYS A 12 18.945 8.028 7.316 1.00 0.00 C ATOM 195 O LYS A 12 19.993 7.790 7.881 1.00 0.00 O ATOM 196 CB LYS A 12 19.822 10.273 6.609 1.00 0.00 C ATOM 197 CG LYS A 12 19.592 10.781 8.034 1.00 0.00 C ATOM 198 CD LYS A 12 20.893 10.673 8.833 1.00 0.00 C ATOM 199 CE LYS A 12 21.635 12.011 8.786 1.00 0.00 C ATOM 200 NZ LYS A 12 22.964 11.737 9.399 1.00 0.00 N ATOM 0 H LYS A 12 16.910 9.428 7.177 1.00 0.00 H new ATOM 0 HA LYS A 12 19.001 8.730 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.842 9.903 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.705 11.091 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.252 11.816 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.807 10.198 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.676 10.402 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 12 21.520 9.883 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.739 12.369 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.096 12.781 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.531 12.609 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.834 11.405 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.457 11.006 8.847 1.00 0.00 H new ATOM 214 N HIS A 13 17.864 7.342 7.564 1.00 0.00 N ATOM 215 CA HIS A 13 17.890 6.234 8.565 1.00 0.00 C ATOM 216 C HIS A 13 17.723 4.893 7.849 1.00 0.00 C ATOM 217 O HIS A 13 18.422 3.937 8.121 1.00 0.00 O ATOM 218 CB HIS A 13 16.696 6.489 9.504 1.00 0.00 C ATOM 219 CG HIS A 13 16.531 7.968 9.744 1.00 0.00 C ATOM 220 ND1 HIS A 13 17.350 8.673 10.608 1.00 0.00 N ATOM 221 CD2 HIS A 13 15.668 8.889 9.208 1.00 0.00 C ATOM 222 CE1 HIS A 13 16.969 9.962 10.562 1.00 0.00 C ATOM 223 NE2 HIS A 13 15.945 10.147 9.727 1.00 0.00 N ATOM 0 H HIS A 13 16.961 7.500 7.117 1.00 0.00 H new ATOM 0 HA HIS A 13 18.830 6.202 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 13 15.785 6.080 9.066 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.853 5.974 10.452 1.00 0.00 H new ATOM 0 HD1 HIS A 13 18.104 8.286 11.176 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.891 8.669 8.491 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.436 10.752 11.132 1.00 0.00 H new ATOM 231 N ASN A 14 16.802 4.824 6.927 1.00 0.00 N ATOM 232 CA ASN A 14 16.579 3.555 6.178 1.00 0.00 C ATOM 233 C ASN A 14 15.719 3.830 4.936 1.00 0.00 C ATOM 234 O ASN A 14 14.707 4.496 5.028 1.00 0.00 O ATOM 235 CB ASN A 14 15.835 2.642 7.151 1.00 0.00 C ATOM 236 CG ASN A 14 16.615 1.339 7.324 1.00 0.00 C ATOM 237 OD1 ASN A 14 17.088 0.768 6.362 1.00 0.00 O ATOM 238 ND2 ASN A 14 16.774 0.842 8.520 1.00 0.00 N ATOM 0 H ASN A 14 16.191 5.596 6.659 1.00 0.00 H new ATOM 0 HA ASN A 14 17.511 3.105 5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.717 3.138 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.833 2.432 6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 14 17.295 -0.026 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.377 1.321 9.328 1.00 0.00 H new ATOM 245 N PRO A 15 16.146 3.316 3.808 1.00 0.00 N ATOM 246 CA PRO A 15 15.385 3.528 2.553 1.00 0.00 C ATOM 247 C PRO A 15 14.114 2.677 2.550 1.00 0.00 C ATOM 248 O PRO A 15 14.161 1.476 2.375 1.00 0.00 O ATOM 249 CB PRO A 15 16.349 3.063 1.465 1.00 0.00 C ATOM 250 CG PRO A 15 17.261 2.093 2.143 1.00 0.00 C ATOM 251 CD PRO A 15 17.350 2.501 3.591 1.00 0.00 C ATOM 0 HA PRO A 15 15.062 4.560 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.815 2.592 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.906 3.902 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.877 1.077 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.247 2.104 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.368 1.633 4.250 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.258 3.070 3.790 1.00 0.00 H new ATOM 259 N HIS A 16 12.975 3.288 2.740 1.00 0.00 N ATOM 260 CA HIS A 16 11.707 2.505 2.742 1.00 0.00 C ATOM 261 C HIS A 16 10.584 3.309 2.096 1.00 0.00 C ATOM 262 O HIS A 16 10.463 4.499 2.294 1.00 0.00 O ATOM 263 CB HIS A 16 11.387 2.240 4.215 1.00 0.00 C ATOM 264 CG HIS A 16 11.163 3.542 4.936 1.00 0.00 C ATOM 265 ND1 HIS A 16 10.014 4.312 4.765 1.00 0.00 N ATOM 266 CD2 HIS A 16 11.936 4.224 5.844 1.00 0.00 C ATOM 267 CE1 HIS A 16 10.139 5.396 5.555 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.290 5.390 6.232 1.00 0.00 N ATOM 0 H HIS A 16 12.869 4.291 2.893 1.00 0.00 H new ATOM 0 HA HIS A 16 11.807 1.579 2.176 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.499 1.613 4.296 1.00 0.00 H new ATOM 0 HB3 HIS A 16 12.207 1.693 4.681 1.00 0.00 H new ATOM 0 HD2 HIS A 16 12.902 3.901 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.397 6.177 5.632 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.623 6.092 6.893 1.00 0.00 H new ATOM 276 N TYR A 17 9.757 2.660 1.335 1.00 0.00 N ATOM 277 CA TYR A 17 8.628 3.361 0.684 1.00 0.00 C ATOM 278 C TYR A 17 7.321 2.823 1.254 1.00 0.00 C ATOM 279 O TYR A 17 7.309 1.802 1.906 1.00 0.00 O ATOM 280 CB TYR A 17 8.708 2.949 -0.782 1.00 0.00 C ATOM 281 CG TYR A 17 9.956 3.465 -1.469 1.00 0.00 C ATOM 282 CD1 TYR A 17 10.802 4.395 -0.850 1.00 0.00 C ATOM 283 CD2 TYR A 17 10.257 3.000 -2.756 1.00 0.00 C ATOM 284 CE1 TYR A 17 11.943 4.855 -1.515 1.00 0.00 C ATOM 285 CE2 TYR A 17 11.396 3.459 -3.420 1.00 0.00 C ATOM 286 CZ TYR A 17 12.242 4.387 -2.802 1.00 0.00 C ATOM 287 OH TYR A 17 13.366 4.843 -3.460 1.00 0.00 O ATOM 0 H TYR A 17 9.817 1.662 1.135 1.00 0.00 H new ATOM 0 HA TYR A 17 8.670 4.440 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.684 1.861 -0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.829 3.321 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 17 10.573 4.757 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 17 9.606 2.284 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.594 5.571 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.625 3.098 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 17 13.425 4.417 -4.341 1.00 0.00 H new ATOM 297 N ARG A 18 6.216 3.468 0.996 1.00 0.00 N ATOM 298 CA ARG A 18 4.931 2.928 1.506 1.00 0.00 C ATOM 299 C ARG A 18 3.949 2.826 0.348 1.00 0.00 C ATOM 300 O ARG A 18 3.972 3.627 -0.559 1.00 0.00 O ATOM 301 CB ARG A 18 4.431 3.924 2.555 1.00 0.00 C ATOM 302 CG ARG A 18 3.816 3.174 3.737 1.00 0.00 C ATOM 303 CD ARG A 18 2.340 3.550 3.872 1.00 0.00 C ATOM 304 NE ARG A 18 2.347 4.836 4.627 1.00 0.00 N ATOM 305 CZ ARG A 18 2.695 4.871 5.891 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.024 3.777 6.531 1.00 0.00 N ATOM 307 NH2 ARG A 18 2.710 6.014 6.521 1.00 0.00 N ATOM 0 H ARG A 18 6.150 4.334 0.461 1.00 0.00 H new ATOM 0 HA ARG A 18 5.042 1.936 1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.256 4.547 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.691 4.591 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.916 2.099 3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.350 3.421 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.870 3.666 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.782 2.780 4.405 1.00 0.00 H new ATOM 0 HE ARG A 18 2.078 5.699 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.012 2.880 6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.292 3.822 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.452 6.870 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.979 6.051 7.504 1.00 0.00 H new ATOM 321 N ILE A 19 3.059 1.882 0.386 1.00 0.00 N ATOM 322 CA ILE A 19 2.063 1.781 -0.703 1.00 0.00 C ATOM 323 C ILE A 19 0.858 2.494 -0.137 1.00 0.00 C ATOM 324 O ILE A 19 -0.023 1.922 0.472 1.00 0.00 O ATOM 325 CB ILE A 19 1.799 0.289 -0.964 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.957 -0.596 -0.488 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.664 0.060 -2.462 1.00 0.00 C ATOM 328 CD1 ILE A 19 4.252 -0.103 -1.130 1.00 0.00 C ATOM 0 H ILE A 19 2.979 1.179 1.121 1.00 0.00 H new ATOM 0 HA ILE A 19 2.363 2.216 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 19 0.893 0.027 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.037 -0.560 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.773 -1.636 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.477 -0.997 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.833 0.651 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.585 0.361 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.083 -0.726 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.165 -0.162 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.433 0.931 -0.836 1.00 0.00 H new ATOM 340 N VAL A 20 0.922 3.783 -0.241 1.00 0.00 N ATOM 341 CA VAL A 20 -0.085 4.666 0.374 1.00 0.00 C ATOM 342 C VAL A 20 -1.148 5.116 -0.644 1.00 0.00 C ATOM 343 O VAL A 20 -0.965 5.013 -1.841 1.00 0.00 O ATOM 344 CB VAL A 20 0.820 5.809 0.895 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.711 7.070 0.039 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.479 6.129 2.343 1.00 0.00 C ATOM 0 H VAL A 20 1.659 4.275 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.693 4.211 1.156 1.00 0.00 H new ATOM 0 HB VAL A 20 1.851 5.461 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.364 7.843 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.010 6.842 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.319 7.426 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.122 6.934 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.564 6.440 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.634 5.242 2.958 1.00 0.00 H new ATOM 356 N VAL A 21 -2.272 5.582 -0.161 1.00 0.00 N ATOM 357 CA VAL A 21 -3.375 6.002 -1.072 1.00 0.00 C ATOM 358 C VAL A 21 -3.513 7.524 -1.082 1.00 0.00 C ATOM 359 O VAL A 21 -3.997 8.118 -0.140 1.00 0.00 O ATOM 360 CB VAL A 21 -4.665 5.370 -0.505 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.505 4.824 -1.653 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.356 4.221 0.450 1.00 0.00 C ATOM 0 H VAL A 21 -2.472 5.689 0.833 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.179 5.681 -2.095 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.202 6.145 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.417 4.377 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.765 5.636 -2.332 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.935 4.068 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.288 3.802 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.799 3.448 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.760 4.591 1.284 1.00 0.00 H new ATOM 372 N THR A 22 -3.107 8.159 -2.142 1.00 0.00 N ATOM 373 CA THR A 22 -3.231 9.643 -2.209 1.00 0.00 C ATOM 374 C THR A 22 -3.824 10.058 -3.556 1.00 0.00 C ATOM 375 O THR A 22 -4.294 9.237 -4.317 1.00 0.00 O ATOM 376 CB THR A 22 -1.805 10.187 -2.052 1.00 0.00 C ATOM 377 OG1 THR A 22 -1.796 11.577 -2.347 1.00 0.00 O ATOM 378 CG2 THR A 22 -0.856 9.460 -3.005 1.00 0.00 C ATOM 0 H THR A 22 -2.695 7.718 -2.965 1.00 0.00 H new ATOM 0 HA THR A 22 -3.891 10.033 -1.434 1.00 0.00 H new ATOM 0 HB THR A 22 -1.473 10.024 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.333 12.060 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.153 9.854 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.858 8.394 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.185 9.613 -4.033 1.00 0.00 H new ATOM 386 N ASP A 23 -3.811 11.328 -3.854 1.00 0.00 N ATOM 387 CA ASP A 23 -4.381 11.793 -5.151 1.00 0.00 C ATOM 388 C ASP A 23 -3.263 12.029 -6.170 1.00 0.00 C ATOM 389 O ASP A 23 -2.093 11.937 -5.857 1.00 0.00 O ATOM 390 CB ASP A 23 -5.093 13.104 -4.823 1.00 0.00 C ATOM 391 CG ASP A 23 -6.494 12.806 -4.288 1.00 0.00 C ATOM 392 OD1 ASP A 23 -6.624 12.638 -3.087 1.00 0.00 O ATOM 393 OD2 ASP A 23 -7.413 12.750 -5.089 1.00 0.00 O ATOM 0 H ASP A 23 -3.431 12.063 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.058 11.060 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.522 13.665 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.158 13.727 -5.715 1.00 0.00 H new ATOM 398 N ALA A 24 -3.619 12.333 -7.388 1.00 0.00 N ATOM 399 CA ALA A 24 -2.582 12.575 -8.431 1.00 0.00 C ATOM 400 C ALA A 24 -1.960 13.963 -8.249 1.00 0.00 C ATOM 401 O ALA A 24 -0.757 14.106 -8.153 1.00 0.00 O ATOM 402 CB ALA A 24 -3.334 12.496 -9.759 1.00 0.00 C ATOM 0 H ALA A 24 -4.584 12.424 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.767 11.853 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.639 12.664 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.787 11.510 -9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.113 13.258 -9.782 1.00 0.00 H new ATOM 408 N ARG A 25 -2.770 14.985 -8.203 1.00 0.00 N ATOM 409 CA ARG A 25 -2.227 16.359 -8.029 1.00 0.00 C ATOM 410 C ARG A 25 -3.365 17.364 -7.831 1.00 0.00 C ATOM 411 O ARG A 25 -4.208 17.538 -8.688 1.00 0.00 O ATOM 412 CB ARG A 25 -1.475 16.653 -9.325 1.00 0.00 C ATOM 413 CG ARG A 25 -0.086 17.197 -8.990 1.00 0.00 C ATOM 414 CD ARG A 25 0.272 18.320 -9.967 1.00 0.00 C ATOM 415 NE ARG A 25 0.411 19.541 -9.121 1.00 0.00 N ATOM 416 CZ ARG A 25 0.610 20.718 -9.667 1.00 0.00 C ATOM 417 NH1 ARG A 25 0.695 20.852 -10.969 1.00 0.00 N ATOM 418 NH2 ARG A 25 0.729 21.769 -8.904 1.00 0.00 N ATOM 0 H ARG A 25 -3.785 14.926 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.582 16.437 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.388 15.746 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.027 17.377 -9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.068 17.571 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.653 16.398 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.198 18.100 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.504 18.449 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 25 0.351 19.460 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.606 20.035 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.850 21.774 -11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.667 21.673 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.884 22.687 -9.321 1.00 0.00 H new ATOM 432 N ARG A 26 -3.391 18.029 -6.709 1.00 0.00 N ATOM 433 CA ARG A 26 -4.471 19.026 -6.457 1.00 0.00 C ATOM 434 C ARG A 26 -3.910 20.446 -6.574 1.00 0.00 C ATOM 435 O ARG A 26 -4.117 21.128 -7.559 1.00 0.00 O ATOM 436 CB ARG A 26 -4.938 18.745 -5.027 1.00 0.00 C ATOM 437 CG ARG A 26 -5.986 17.631 -5.042 1.00 0.00 C ATOM 438 CD ARG A 26 -6.682 17.567 -3.680 1.00 0.00 C ATOM 439 NE ARG A 26 -6.424 16.185 -3.177 1.00 0.00 N ATOM 440 CZ ARG A 26 -6.660 15.871 -1.924 1.00 0.00 C ATOM 441 NH1 ARG A 26 -7.125 16.761 -1.081 1.00 0.00 N ATOM 442 NH2 ARG A 26 -6.428 14.655 -1.511 1.00 0.00 N ATOM 0 H ARG A 26 -2.711 17.926 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.288 18.948 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.090 18.453 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.359 19.649 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.718 17.816 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.513 16.675 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.282 18.316 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.751 17.759 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.060 15.476 -3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.309 17.714 -1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.303 16.501 -0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.066 13.956 -2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.609 14.403 -0.539 1.00 0.00 H new ATOM 456 N LYS A 27 -3.196 20.895 -5.578 1.00 0.00 N ATOM 457 CA LYS A 27 -2.614 22.268 -5.629 1.00 0.00 C ATOM 458 C LYS A 27 -1.098 22.194 -5.430 1.00 0.00 C ATOM 459 O LYS A 27 -0.329 22.350 -6.359 1.00 0.00 O ATOM 460 CB LYS A 27 -3.269 23.021 -4.470 1.00 0.00 C ATOM 461 CG LYS A 27 -4.619 23.587 -4.921 1.00 0.00 C ATOM 462 CD LYS A 27 -5.599 22.437 -5.160 1.00 0.00 C ATOM 463 CE LYS A 27 -7.010 22.872 -4.755 1.00 0.00 C ATOM 464 NZ LYS A 27 -7.459 23.789 -5.841 1.00 0.00 N ATOM 0 H LYS A 27 -2.990 20.369 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.792 22.761 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.409 22.351 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.619 23.829 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.013 24.264 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.495 24.169 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.585 22.146 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.297 21.563 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.676 22.014 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.005 23.377 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.650 24.731 -5.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.714 23.863 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.326 23.414 -6.275 1.00 0.00 H new ATOM 478 N ARG A 28 -0.666 21.949 -4.225 1.00 0.00 N ATOM 479 CA ARG A 28 0.798 21.854 -3.954 1.00 0.00 C ATOM 480 C ARG A 28 1.030 21.184 -2.599 1.00 0.00 C ATOM 481 O ARG A 28 1.979 21.481 -1.902 1.00 0.00 O ATOM 482 CB ARG A 28 1.300 23.298 -3.933 1.00 0.00 C ATOM 483 CG ARG A 28 0.526 24.096 -2.884 1.00 0.00 C ATOM 484 CD ARG A 28 0.746 25.591 -3.118 1.00 0.00 C ATOM 485 NE ARG A 28 0.590 26.218 -1.773 1.00 0.00 N ATOM 486 CZ ARG A 28 1.486 26.025 -0.834 1.00 0.00 C ATOM 487 NH1 ARG A 28 2.542 25.279 -1.050 1.00 0.00 N ATOM 488 NH2 ARG A 28 1.323 26.583 0.334 1.00 0.00 N ATOM 0 H ARG A 28 -1.265 21.810 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 28 1.321 21.259 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.366 23.320 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.173 23.752 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.537 23.860 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.859 23.821 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.736 25.785 -3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.021 25.991 -3.827 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.223 26.804 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.677 24.838 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.228 25.140 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.504 27.164 0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.015 26.438 1.069 1.00 0.00 H new ATOM 502 N ASP A 29 0.165 20.284 -2.220 1.00 0.00 N ATOM 503 CA ASP A 29 0.332 19.596 -0.908 1.00 0.00 C ATOM 504 C ASP A 29 1.185 18.335 -1.076 1.00 0.00 C ATOM 505 O ASP A 29 1.952 18.211 -2.009 1.00 0.00 O ATOM 506 CB ASP A 29 -1.088 19.232 -0.467 1.00 0.00 C ATOM 507 CG ASP A 29 -1.699 18.240 -1.459 1.00 0.00 C ATOM 508 OD1 ASP A 29 -1.277 17.094 -1.457 1.00 0.00 O ATOM 509 OD2 ASP A 29 -2.579 18.641 -2.202 1.00 0.00 O ATOM 0 H ASP A 29 -0.650 19.995 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 29 0.837 20.223 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.068 18.796 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.703 20.130 -0.411 1.00 0.00 H new ATOM 514 N GLY A 30 1.054 17.402 -0.176 1.00 0.00 N ATOM 515 CA GLY A 30 1.851 16.148 -0.275 1.00 0.00 C ATOM 516 C GLY A 30 1.414 15.193 0.835 1.00 0.00 C ATOM 517 O GLY A 30 1.966 15.190 1.918 1.00 0.00 O ATOM 0 H GLY A 30 0.427 17.454 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.704 15.684 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.914 16.369 -0.184 1.00 0.00 H new ATOM 521 N LYS A 31 0.419 14.387 0.582 1.00 0.00 N ATOM 522 CA LYS A 31 -0.055 13.443 1.632 1.00 0.00 C ATOM 523 C LYS A 31 -1.027 12.421 1.038 1.00 0.00 C ATOM 524 O LYS A 31 -1.414 12.505 -0.110 1.00 0.00 O ATOM 525 CB LYS A 31 -0.773 14.324 2.654 1.00 0.00 C ATOM 526 CG LYS A 31 -1.894 15.101 1.958 1.00 0.00 C ATOM 527 CD LYS A 31 -3.214 14.868 2.698 1.00 0.00 C ATOM 528 CE LYS A 31 -4.381 15.339 1.827 1.00 0.00 C ATOM 529 NZ LYS A 31 -5.536 14.492 2.237 1.00 0.00 N ATOM 0 H LYS A 31 -0.085 14.342 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 31 0.765 12.878 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.184 13.710 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.067 15.016 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.657 16.165 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.985 14.778 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.328 13.810 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.212 15.408 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.591 16.397 1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.157 15.215 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.375 14.757 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.310 13.491 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.730 14.636 3.249 1.00 0.00 H new ATOM 543 N TYR A 32 -1.421 11.455 1.820 1.00 0.00 N ATOM 544 CA TYR A 32 -2.370 10.418 1.317 1.00 0.00 C ATOM 545 C TYR A 32 -3.585 10.317 2.240 1.00 0.00 C ATOM 546 O TYR A 32 -3.627 10.911 3.300 1.00 0.00 O ATOM 547 CB TYR A 32 -1.585 9.098 1.328 1.00 0.00 C ATOM 548 CG TYR A 32 -0.887 8.923 2.661 1.00 0.00 C ATOM 549 CD1 TYR A 32 0.398 9.444 2.852 1.00 0.00 C ATOM 550 CD2 TYR A 32 -1.528 8.245 3.703 1.00 0.00 C ATOM 551 CE1 TYR A 32 1.042 9.285 4.085 1.00 0.00 C ATOM 552 CE2 TYR A 32 -0.886 8.088 4.937 1.00 0.00 C ATOM 553 CZ TYR A 32 0.400 8.608 5.128 1.00 0.00 C ATOM 554 OH TYR A 32 1.034 8.452 6.344 1.00 0.00 O ATOM 0 H TYR A 32 -1.127 11.337 2.789 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.740 10.661 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.261 8.262 1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.852 9.094 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.893 9.969 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.519 7.842 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.035 9.685 4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.382 7.566 5.742 1.00 0.00 H new ATOM 0 HH TYR A 32 0.449 7.960 6.957 1.00 0.00 H new ATOM 564 N ILE A 33 -4.573 9.565 1.843 1.00 0.00 N ATOM 565 CA ILE A 33 -5.787 9.415 2.692 1.00 0.00 C ATOM 566 C ILE A 33 -5.509 8.430 3.830 1.00 0.00 C ATOM 567 O ILE A 33 -5.966 8.604 4.943 1.00 0.00 O ATOM 568 CB ILE A 33 -6.852 8.863 1.746 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.125 9.885 0.639 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.142 8.599 2.523 1.00 0.00 C ATOM 571 CD1 ILE A 33 -6.904 9.236 -0.729 1.00 0.00 C ATOM 0 H ILE A 33 -4.592 9.047 0.965 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.098 10.352 3.154 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.498 7.931 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.148 10.254 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.466 10.745 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.900 8.205 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.949 7.873 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.498 9.530 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.099 9.966 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.874 8.889 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.581 8.390 -0.844 1.00 0.00 H new ATOM 583 N GLU A 34 -4.756 7.398 3.560 1.00 0.00 N ATOM 584 CA GLU A 34 -4.441 6.402 4.624 1.00 0.00 C ATOM 585 C GLU A 34 -3.279 5.509 4.180 1.00 0.00 C ATOM 586 O GLU A 34 -2.884 5.513 3.032 1.00 0.00 O ATOM 587 CB GLU A 34 -5.720 5.581 4.790 1.00 0.00 C ATOM 588 CG GLU A 34 -6.306 5.830 6.181 1.00 0.00 C ATOM 589 CD GLU A 34 -7.782 5.430 6.194 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.516 5.921 5.352 1.00 0.00 O ATOM 591 OE2 GLU A 34 -8.154 4.640 7.046 1.00 0.00 O ATOM 0 H GLU A 34 -4.345 7.202 2.647 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.139 6.874 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.444 5.856 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.504 4.521 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.756 5.255 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.201 6.882 6.448 1.00 0.00 H new ATOM 598 N LYS A 35 -2.727 4.748 5.084 1.00 0.00 N ATOM 599 CA LYS A 35 -1.587 3.858 4.712 1.00 0.00 C ATOM 600 C LYS A 35 -2.059 2.404 4.588 1.00 0.00 C ATOM 601 O LYS A 35 -2.448 1.780 5.556 1.00 0.00 O ATOM 602 CB LYS A 35 -0.569 4.011 5.849 1.00 0.00 C ATOM 603 CG LYS A 35 -1.142 3.444 7.154 1.00 0.00 C ATOM 604 CD LYS A 35 -0.703 4.319 8.331 1.00 0.00 C ATOM 605 CE LYS A 35 -1.593 5.562 8.407 1.00 0.00 C ATOM 606 NZ LYS A 35 -1.862 5.753 9.859 1.00 0.00 N ATOM 0 H LYS A 35 -3.014 4.702 6.062 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.155 4.125 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.354 3.491 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.316 5.063 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.230 3.409 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.797 2.420 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.769 3.755 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.340 4.613 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.094 6.432 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.519 5.420 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.467 6.588 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.344 4.912 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.963 5.893 10.363 1.00 0.00 H new ATOM 620 N ILE A 36 -2.029 1.859 3.403 1.00 0.00 N ATOM 621 CA ILE A 36 -2.478 0.442 3.228 1.00 0.00 C ATOM 622 C ILE A 36 -1.291 -0.479 3.044 1.00 0.00 C ATOM 623 O ILE A 36 -1.317 -1.625 3.448 1.00 0.00 O ATOM 624 CB ILE A 36 -3.332 0.434 1.965 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.491 0.896 0.764 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.515 1.372 2.154 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.327 0.832 -0.509 1.00 0.00 C ATOM 0 H ILE A 36 -1.716 2.326 2.552 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.028 0.093 4.102 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.693 -0.577 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.137 1.914 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.608 0.264 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.129 1.370 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.113 1.037 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.152 2.382 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.725 1.161 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.659 -0.193 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.196 1.482 -0.407 1.00 0.00 H new ATOM 639 N GLY A 37 -0.267 -0.010 2.404 1.00 0.00 N ATOM 640 CA GLY A 37 0.889 -0.892 2.167 1.00 0.00 C ATOM 641 C GLY A 37 2.171 -0.310 2.735 1.00 0.00 C ATOM 642 O GLY A 37 2.263 0.854 3.061 1.00 0.00 O ATOM 0 H GLY A 37 -0.183 0.938 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.701 -1.866 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.008 -1.055 1.096 1.00 0.00 H new ATOM 646 N TYR A 38 3.174 -1.137 2.803 1.00 0.00 N ATOM 647 CA TYR A 38 4.511 -0.696 3.289 1.00 0.00 C ATOM 648 C TYR A 38 5.583 -1.369 2.431 1.00 0.00 C ATOM 649 O TYR A 38 5.640 -2.581 2.348 1.00 0.00 O ATOM 650 CB TYR A 38 4.600 -1.172 4.737 1.00 0.00 C ATOM 651 CG TYR A 38 5.810 -0.550 5.395 1.00 0.00 C ATOM 652 CD1 TYR A 38 7.095 -1.006 5.073 1.00 0.00 C ATOM 653 CD2 TYR A 38 5.647 0.481 6.327 1.00 0.00 C ATOM 654 CE1 TYR A 38 8.216 -0.429 5.684 1.00 0.00 C ATOM 655 CE2 TYR A 38 6.767 1.058 6.938 1.00 0.00 C ATOM 656 CZ TYR A 38 8.051 0.603 6.616 1.00 0.00 C ATOM 657 OH TYR A 38 9.156 1.171 7.218 1.00 0.00 O ATOM 0 H TYR A 38 3.123 -2.120 2.537 1.00 0.00 H new ATOM 0 HA TYR A 38 4.653 0.383 3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.695 -0.896 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.672 -2.259 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.221 -1.802 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.656 0.832 6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.207 -0.780 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.640 1.854 7.657 1.00 0.00 H new ATOM 0 HH TYR A 38 8.866 1.873 7.837 1.00 0.00 H new ATOM 667 N TYR A 39 6.436 -0.615 1.790 1.00 0.00 N ATOM 668 CA TYR A 39 7.485 -1.263 0.950 1.00 0.00 C ATOM 669 C TYR A 39 8.869 -0.983 1.546 1.00 0.00 C ATOM 670 O TYR A 39 9.139 0.104 2.016 1.00 0.00 O ATOM 671 CB TYR A 39 7.374 -0.637 -0.444 1.00 0.00 C ATOM 672 CG TYR A 39 8.500 -1.132 -1.333 1.00 0.00 C ATOM 673 CD1 TYR A 39 8.975 -2.447 -1.210 1.00 0.00 C ATOM 674 CD2 TYR A 39 9.067 -0.275 -2.285 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.013 -2.899 -2.034 1.00 0.00 C ATOM 676 CE2 TYR A 39 10.105 -0.730 -3.108 1.00 0.00 C ATOM 677 CZ TYR A 39 10.577 -2.041 -2.982 1.00 0.00 C ATOM 678 OH TYR A 39 11.598 -2.489 -3.795 1.00 0.00 O ATOM 0 H TYR A 39 6.453 0.405 1.810 1.00 0.00 H new ATOM 0 HA TYR A 39 7.351 -2.344 0.906 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.412 -0.891 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.413 0.450 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.539 -3.111 -0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.704 0.737 -2.384 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.378 -3.911 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.542 -0.068 -3.841 1.00 0.00 H new ATOM 0 HH TYR A 39 11.908 -1.755 -4.365 1.00 0.00 H new ATOM 688 N ASP A 40 9.748 -1.942 1.525 1.00 0.00 N ATOM 689 CA ASP A 40 11.111 -1.711 2.083 1.00 0.00 C ATOM 690 C ASP A 40 12.160 -2.364 1.178 1.00 0.00 C ATOM 691 O ASP A 40 12.541 -3.496 1.390 1.00 0.00 O ATOM 692 CB ASP A 40 11.097 -2.370 3.463 1.00 0.00 C ATOM 693 CG ASP A 40 12.068 -1.636 4.388 1.00 0.00 C ATOM 694 OD1 ASP A 40 11.641 -0.695 5.037 1.00 0.00 O ATOM 695 OD2 ASP A 40 13.224 -2.026 4.432 1.00 0.00 O ATOM 0 H ASP A 40 9.585 -2.875 1.147 1.00 0.00 H new ATOM 0 HA ASP A 40 11.361 -0.652 2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.090 -2.344 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.380 -3.419 3.380 1.00 0.00 H new ATOM 700 N PRO A 41 12.594 -1.631 0.187 1.00 0.00 N ATOM 701 CA PRO A 41 13.602 -2.168 -0.759 1.00 0.00 C ATOM 702 C PRO A 41 14.946 -2.373 -0.055 1.00 0.00 C ATOM 703 O PRO A 41 15.852 -1.573 -0.176 1.00 0.00 O ATOM 704 CB PRO A 41 13.696 -1.088 -1.836 1.00 0.00 C ATOM 705 CG PRO A 41 13.240 0.163 -1.159 1.00 0.00 C ATOM 706 CD PRO A 41 12.211 -0.252 -0.143 1.00 0.00 C ATOM 0 HA PRO A 41 13.332 -3.141 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.716 -0.988 -2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.066 -1.327 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.076 0.671 -0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.814 0.861 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.232 0.392 0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.201 -0.202 -0.551 1.00 0.00 H new ATOM 714 N ARG A 42 15.076 -3.443 0.681 1.00 0.00 N ATOM 715 CA ARG A 42 16.349 -3.711 1.396 1.00 0.00 C ATOM 716 C ARG A 42 17.202 -4.708 0.607 1.00 0.00 C ATOM 717 O ARG A 42 16.800 -5.199 -0.429 1.00 0.00 O ATOM 718 CB ARG A 42 15.928 -4.311 2.737 1.00 0.00 C ATOM 719 CG ARG A 42 15.929 -3.220 3.809 1.00 0.00 C ATOM 720 CD ARG A 42 17.292 -3.186 4.505 1.00 0.00 C ATOM 721 NE ARG A 42 17.008 -2.707 5.889 1.00 0.00 N ATOM 722 CZ ARG A 42 16.499 -3.515 6.791 1.00 0.00 C ATOM 723 NH1 ARG A 42 16.215 -4.759 6.496 1.00 0.00 N ATOM 724 NH2 ARG A 42 16.272 -3.071 7.996 1.00 0.00 N ATOM 0 H ARG A 42 14.349 -4.145 0.816 1.00 0.00 H new ATOM 0 HA ARG A 42 16.950 -2.810 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.935 -4.752 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.611 -5.113 3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.716 -2.251 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.142 -3.412 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.754 -4.173 4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.982 -2.517 3.990 1.00 0.00 H new ATOM 0 HE ARG A 42 17.212 -1.739 6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 42 16.389 -5.112 5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 42 15.820 -5.374 7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.489 -2.103 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.877 -3.692 8.702 1.00 0.00 H new ATOM 738 N LYS A 43 18.373 -5.013 1.092 1.00 0.00 N ATOM 739 CA LYS A 43 19.249 -5.983 0.372 1.00 0.00 C ATOM 740 C LYS A 43 19.719 -7.080 1.331 1.00 0.00 C ATOM 741 O LYS A 43 20.696 -7.759 1.080 1.00 0.00 O ATOM 742 CB LYS A 43 20.436 -5.154 -0.117 1.00 0.00 C ATOM 743 CG LYS A 43 20.483 -5.180 -1.646 1.00 0.00 C ATOM 744 CD LYS A 43 21.919 -4.943 -2.117 1.00 0.00 C ATOM 745 CE LYS A 43 21.974 -5.014 -3.645 1.00 0.00 C ATOM 746 NZ LYS A 43 22.336 -6.427 -3.951 1.00 0.00 N ATOM 0 H LYS A 43 18.763 -4.634 1.955 1.00 0.00 H new ATOM 0 HA LYS A 43 18.732 -6.479 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.346 -4.127 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 43 21.364 -5.552 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.122 -6.140 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 43 19.824 -4.413 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.269 -3.969 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.583 -5.691 -1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.014 -4.747 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.714 -4.321 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 22.393 -6.555 -4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 23.257 -6.650 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 21.611 -7.063 -3.563 1.00 0.00 H new ATOM 760 N THR A 44 19.035 -7.259 2.429 1.00 0.00 N ATOM 761 CA THR A 44 19.449 -8.310 3.402 1.00 0.00 C ATOM 762 C THR A 44 18.318 -9.320 3.624 1.00 0.00 C ATOM 763 O THR A 44 18.531 -10.394 4.148 1.00 0.00 O ATOM 764 CB THR A 44 19.750 -7.552 4.695 1.00 0.00 C ATOM 765 OG1 THR A 44 18.565 -6.916 5.156 1.00 0.00 O ATOM 766 CG2 THR A 44 20.829 -6.501 4.432 1.00 0.00 C ATOM 0 H THR A 44 18.208 -6.723 2.694 1.00 0.00 H new ATOM 0 HA THR A 44 20.309 -8.879 3.047 1.00 0.00 H new ATOM 0 HB THR A 44 20.105 -8.250 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.756 -6.431 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 44 21.043 -5.961 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 44 21.736 -6.991 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 44 20.478 -5.800 3.674 1.00 0.00 H new ATOM 774 N THR A 45 17.117 -8.988 3.231 1.00 0.00 N ATOM 775 CA THR A 45 15.985 -9.938 3.427 1.00 0.00 C ATOM 776 C THR A 45 15.136 -10.026 2.152 1.00 0.00 C ATOM 777 O THR A 45 14.891 -9.027 1.507 1.00 0.00 O ATOM 778 CB THR A 45 15.164 -9.344 4.573 1.00 0.00 C ATOM 779 OG1 THR A 45 15.065 -7.937 4.400 1.00 0.00 O ATOM 780 CG2 THR A 45 15.848 -9.651 5.906 1.00 0.00 C ATOM 0 H THR A 45 16.872 -8.104 2.785 1.00 0.00 H new ATOM 0 HA THR A 45 16.330 -10.948 3.649 1.00 0.00 H new ATOM 0 HB THR A 45 14.166 -9.782 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.538 -7.554 5.132 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.262 -9.227 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.923 -10.731 6.036 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.847 -9.214 5.912 1.00 0.00 H new ATOM 788 N PRO A 46 14.711 -11.223 1.825 1.00 0.00 N ATOM 789 CA PRO A 46 13.882 -11.422 0.613 1.00 0.00 C ATOM 790 C PRO A 46 12.450 -10.946 0.871 1.00 0.00 C ATOM 791 O PRO A 46 11.791 -10.420 -0.004 1.00 0.00 O ATOM 792 CB PRO A 46 13.920 -12.931 0.394 1.00 0.00 C ATOM 793 CG PRO A 46 14.198 -13.518 1.742 1.00 0.00 C ATOM 794 CD PRO A 46 14.956 -12.485 2.538 1.00 0.00 C ATOM 0 HA PRO A 46 14.242 -10.864 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.973 -13.295 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.695 -13.205 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 46 13.268 -13.782 2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.781 -14.434 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.600 -12.436 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.020 -12.718 2.580 1.00 0.00 H new ATOM 802 N ASP A 47 11.964 -11.126 2.070 1.00 0.00 N ATOM 803 CA ASP A 47 10.577 -10.684 2.392 1.00 0.00 C ATOM 804 C ASP A 47 10.596 -9.268 2.974 1.00 0.00 C ATOM 805 O ASP A 47 10.881 -9.069 4.137 1.00 0.00 O ATOM 806 CB ASP A 47 10.075 -11.684 3.434 1.00 0.00 C ATOM 807 CG ASP A 47 9.394 -12.859 2.728 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.828 -13.203 1.641 1.00 0.00 O ATOM 809 OD2 ASP A 47 8.451 -13.395 3.287 1.00 0.00 O ATOM 0 H ASP A 47 12.469 -11.561 2.842 1.00 0.00 H new ATOM 0 HA ASP A 47 9.937 -10.657 1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.907 -12.043 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.374 -11.198 4.112 1.00 0.00 H new ATOM 814 N TRP A 48 10.299 -8.282 2.171 1.00 0.00 N ATOM 815 CA TRP A 48 10.304 -6.875 2.679 1.00 0.00 C ATOM 816 C TRP A 48 8.952 -6.197 2.432 1.00 0.00 C ATOM 817 O TRP A 48 8.727 -5.079 2.853 1.00 0.00 O ATOM 818 CB TRP A 48 11.407 -6.141 1.899 1.00 0.00 C ATOM 819 CG TRP A 48 11.391 -6.530 0.447 1.00 0.00 C ATOM 820 CD1 TRP A 48 12.348 -7.264 -0.165 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.399 -6.221 -0.578 1.00 0.00 C ATOM 822 NE1 TRP A 48 12.004 -7.436 -1.492 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.814 -6.812 -1.796 1.00 0.00 C ATOM 824 CE3 TRP A 48 9.195 -5.499 -0.570 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.057 -6.692 -2.963 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.434 -5.373 -1.743 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.863 -5.970 -2.936 1.00 0.00 C ATOM 0 H TRP A 48 10.053 -8.387 1.187 1.00 0.00 H new ATOM 0 HA TRP A 48 10.483 -6.853 3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.268 -5.064 1.992 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.380 -6.375 2.331 1.00 0.00 H new ATOM 0 HD1 TRP A 48 13.238 -7.653 0.308 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.563 -7.961 -2.165 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.852 -5.038 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.393 -7.154 -3.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.511 -4.812 -1.726 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.270 -5.871 -3.833 1.00 0.00 H new ATOM 838 N LEU A 49 8.056 -6.850 1.745 1.00 0.00 N ATOM 839 CA LEU A 49 6.732 -6.224 1.467 1.00 0.00 C ATOM 840 C LEU A 49 5.754 -6.485 2.614 1.00 0.00 C ATOM 841 O LEU A 49 5.531 -7.611 3.013 1.00 0.00 O ATOM 842 CB LEU A 49 6.236 -6.910 0.197 1.00 0.00 C ATOM 843 CG LEU A 49 5.020 -6.160 -0.345 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.157 -5.981 -1.856 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.753 -6.959 -0.038 1.00 0.00 C ATOM 0 H LEU A 49 8.182 -7.788 1.365 1.00 0.00 H new ATOM 0 HA LEU A 49 6.811 -5.142 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.028 -6.930 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.973 -7.946 0.410 1.00 0.00 H new ATOM 0 HG LEU A 49 4.958 -5.180 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.288 -5.446 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.060 -5.411 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.221 -6.959 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.884 -6.426 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.817 -7.939 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.653 -7.083 1.040 1.00 0.00 H new ATOM 857 N LYS A 50 5.152 -5.451 3.130 1.00 0.00 N ATOM 858 CA LYS A 50 4.165 -5.629 4.232 1.00 0.00 C ATOM 859 C LYS A 50 2.914 -4.810 3.915 1.00 0.00 C ATOM 860 O LYS A 50 2.801 -3.661 4.295 1.00 0.00 O ATOM 861 CB LYS A 50 4.850 -5.093 5.490 1.00 0.00 C ATOM 862 CG LYS A 50 3.901 -5.241 6.682 1.00 0.00 C ATOM 863 CD LYS A 50 4.631 -4.867 7.974 1.00 0.00 C ATOM 864 CE LYS A 50 3.895 -5.479 9.169 1.00 0.00 C ATOM 865 NZ LYS A 50 3.997 -4.458 10.249 1.00 0.00 N ATOM 0 H LYS A 50 5.301 -4.486 2.835 1.00 0.00 H new ATOM 0 HA LYS A 50 3.863 -6.669 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.775 -5.640 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.121 -4.046 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.030 -4.600 6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.536 -6.266 6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.659 -5.229 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.678 -3.783 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.854 -5.692 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.351 -6.421 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.515 -4.806 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.999 -4.280 10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.549 -3.574 9.934 1.00 0.00 H new ATOM 879 N VAL A 51 1.980 -5.380 3.203 1.00 0.00 N ATOM 880 CA VAL A 51 0.756 -4.610 2.855 1.00 0.00 C ATOM 881 C VAL A 51 -0.479 -5.207 3.528 1.00 0.00 C ATOM 882 O VAL A 51 -0.678 -6.405 3.549 1.00 0.00 O ATOM 883 CB VAL A 51 0.651 -4.695 1.307 1.00 0.00 C ATOM 884 CG1 VAL A 51 -0.796 -4.950 0.841 1.00 0.00 C ATOM 885 CG2 VAL A 51 1.105 -3.378 0.692 1.00 0.00 C ATOM 0 H VAL A 51 2.012 -6.337 2.851 1.00 0.00 H new ATOM 0 HA VAL A 51 0.813 -3.578 3.200 1.00 0.00 H new ATOM 0 HB VAL A 51 1.282 -5.525 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.824 -5.002 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.152 -5.892 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.437 -4.137 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.031 -3.439 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.470 -2.569 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.139 -3.182 0.975 1.00 0.00 H new ATOM 895 N ASP A 52 -1.341 -4.363 4.009 1.00 0.00 N ATOM 896 CA ASP A 52 -2.601 -4.859 4.601 1.00 0.00 C ATOM 897 C ASP A 52 -3.573 -5.047 3.442 1.00 0.00 C ATOM 898 O ASP A 52 -4.497 -4.276 3.274 1.00 0.00 O ATOM 899 CB ASP A 52 -3.073 -3.746 5.536 1.00 0.00 C ATOM 900 CG ASP A 52 -3.765 -4.359 6.755 1.00 0.00 C ATOM 901 OD1 ASP A 52 -3.522 -5.524 7.025 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.527 -3.655 7.396 1.00 0.00 O ATOM 0 H ASP A 52 -1.225 -3.350 4.016 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.507 -5.797 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.225 -3.140 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.760 -3.083 5.011 1.00 0.00 H new ATOM 907 N VAL A 53 -3.322 -6.038 2.608 1.00 0.00 N ATOM 908 CA VAL A 53 -4.181 -6.284 1.396 1.00 0.00 C ATOM 909 C VAL A 53 -5.653 -5.947 1.673 1.00 0.00 C ATOM 910 O VAL A 53 -6.351 -5.481 0.799 1.00 0.00 O ATOM 911 CB VAL A 53 -3.970 -7.773 0.992 1.00 0.00 C ATOM 912 CG1 VAL A 53 -3.723 -8.660 2.215 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.191 -8.309 0.230 1.00 0.00 C ATOM 0 H VAL A 53 -2.549 -6.694 2.718 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.894 -5.632 0.571 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.090 -7.805 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.580 -9.692 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.831 -8.317 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.581 -8.604 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.021 -9.351 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.075 -8.239 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.344 -7.718 -0.673 1.00 0.00 H new ATOM 923 N GLU A 54 -6.123 -6.139 2.872 1.00 0.00 N ATOM 924 CA GLU A 54 -7.537 -5.780 3.157 1.00 0.00 C ATOM 925 C GLU A 54 -7.718 -4.278 2.929 1.00 0.00 C ATOM 926 O GLU A 54 -8.556 -3.852 2.160 1.00 0.00 O ATOM 927 CB GLU A 54 -7.769 -6.152 4.621 1.00 0.00 C ATOM 928 CG GLU A 54 -9.104 -6.887 4.751 1.00 0.00 C ATOM 929 CD GLU A 54 -10.228 -5.870 4.963 1.00 0.00 C ATOM 930 OE1 GLU A 54 -9.963 -4.843 5.566 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.333 -6.136 4.519 1.00 0.00 O ATOM 0 H GLU A 54 -5.598 -6.524 3.657 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.248 -6.298 2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.957 -6.784 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.773 -5.255 5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.296 -7.476 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.067 -7.584 5.588 1.00 0.00 H new ATOM 938 N ARG A 55 -6.917 -3.478 3.575 1.00 0.00 N ATOM 939 CA ARG A 55 -7.011 -2.005 3.384 1.00 0.00 C ATOM 940 C ARG A 55 -6.532 -1.652 1.973 1.00 0.00 C ATOM 941 O ARG A 55 -7.108 -0.827 1.290 1.00 0.00 O ATOM 942 CB ARG A 55 -6.069 -1.411 4.435 1.00 0.00 C ATOM 943 CG ARG A 55 -6.883 -0.708 5.523 1.00 0.00 C ATOM 944 CD ARG A 55 -7.287 0.683 5.034 1.00 0.00 C ATOM 945 NE ARG A 55 -8.651 0.499 4.464 1.00 0.00 N ATOM 946 CZ ARG A 55 -9.702 0.413 5.247 1.00 0.00 C ATOM 947 NH1 ARG A 55 -9.580 0.483 6.550 1.00 0.00 N ATOM 948 NH2 ARG A 55 -10.886 0.248 4.724 1.00 0.00 N ATOM 0 H ARG A 55 -6.198 -3.783 4.230 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.027 -1.625 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.459 -2.199 4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.385 -0.704 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.771 -1.293 5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.296 -0.628 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.293 1.404 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.591 1.057 4.283 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.770 0.439 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.659 0.606 6.970 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.406 0.414 7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.992 0.186 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.705 0.181 5.328 1.00 0.00 H new ATOM 962 N ALA A 56 -5.496 -2.296 1.515 1.00 0.00 N ATOM 963 CA ALA A 56 -5.006 -2.024 0.146 1.00 0.00 C ATOM 964 C ALA A 56 -6.087 -2.478 -0.841 1.00 0.00 C ATOM 965 O ALA A 56 -6.150 -2.023 -1.970 1.00 0.00 O ATOM 966 CB ALA A 56 -3.708 -2.836 0.021 1.00 0.00 C ATOM 0 H ALA A 56 -4.970 -2.999 2.034 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.806 -0.973 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.280 -2.688 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.996 -2.503 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.925 -3.894 0.168 1.00 0.00 H new ATOM 972 N ARG A 57 -6.966 -3.356 -0.410 1.00 0.00 N ATOM 973 CA ARG A 57 -8.055 -3.813 -1.306 1.00 0.00 C ATOM 974 C ARG A 57 -9.254 -2.861 -1.203 1.00 0.00 C ATOM 975 O ARG A 57 -10.076 -2.790 -2.094 1.00 0.00 O ATOM 976 CB ARG A 57 -8.431 -5.215 -0.822 1.00 0.00 C ATOM 977 CG ARG A 57 -9.608 -5.741 -1.646 1.00 0.00 C ATOM 978 CD ARG A 57 -9.214 -7.062 -2.314 1.00 0.00 C ATOM 979 NE ARG A 57 -9.617 -6.908 -3.742 1.00 0.00 N ATOM 980 CZ ARG A 57 -9.501 -7.908 -4.584 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.040 -9.070 -4.191 1.00 0.00 N ATOM 982 NH2 ARG A 57 -9.852 -7.745 -5.831 1.00 0.00 N ATOM 0 H ARG A 57 -6.968 -3.769 0.523 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.746 -3.826 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.577 -5.886 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.697 -5.187 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.477 -5.890 -1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.892 -5.009 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.143 -7.246 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.723 -7.906 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.987 -6.015 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.765 -9.207 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.956 -9.837 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.214 -6.845 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.764 -8.518 -6.491 1.00 0.00 H new ATOM 996 N TYR A 58 -9.342 -2.107 -0.135 1.00 0.00 N ATOM 997 CA TYR A 58 -10.459 -1.134 0.015 1.00 0.00 C ATOM 998 C TYR A 58 -10.347 -0.148 -1.125 1.00 0.00 C ATOM 999 O TYR A 58 -11.288 0.175 -1.825 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.170 -0.421 1.345 1.00 0.00 C ATOM 1001 CG TYR A 58 -10.896 0.915 1.425 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.185 1.037 0.901 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.277 2.026 2.024 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.863 2.258 0.973 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.956 3.248 2.095 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.249 3.364 1.572 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.917 4.569 1.645 1.00 0.00 O ATOM 0 H TYR A 58 -8.682 -2.127 0.642 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.450 -1.587 0.005 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.479 -1.056 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.097 -0.261 1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.660 0.185 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.280 1.937 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.860 2.347 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.481 4.103 2.554 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.349 5.231 2.092 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.165 0.330 -1.271 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.859 1.325 -2.315 1.00 0.00 C ATOM 1019 C TRP A 59 -9.086 0.720 -3.679 1.00 0.00 C ATOM 1020 O TRP A 59 -9.854 1.221 -4.474 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.406 1.666 -2.052 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.394 2.317 -0.721 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -6.801 1.854 0.398 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.087 3.518 -0.356 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.070 2.737 1.435 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -7.864 3.787 1.008 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.871 4.397 -1.098 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.413 4.912 1.624 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.431 5.527 -0.491 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.202 5.786 0.867 1.00 0.00 C ATOM 0 H TRP A 59 -8.368 0.066 -0.692 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.488 2.215 -2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.784 0.771 -2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.013 2.332 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.216 0.949 0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.727 2.626 2.389 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -9.048 4.206 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.232 5.106 2.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.042 6.202 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.635 6.661 1.330 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.471 -0.388 -3.942 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.711 -1.057 -5.246 1.00 0.00 C ATOM 1043 C LEU A 60 -10.225 -1.254 -5.415 1.00 0.00 C ATOM 1044 O LEU A 60 -10.729 -1.391 -6.513 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.992 -2.404 -5.149 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.578 -2.269 -5.711 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.797 -3.559 -5.450 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.653 -2.014 -7.217 1.00 0.00 C ATOM 0 H LEU A 60 -7.816 -0.860 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.348 -0.484 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.952 -2.733 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.544 -3.163 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.072 -1.435 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.788 -3.461 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.744 -3.742 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.301 -4.394 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.645 -1.917 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.160 -2.848 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.208 -1.095 -7.403 1.00 0.00 H new ATOM 1060 N SER A 61 -10.954 -1.253 -4.320 1.00 0.00 N ATOM 1061 CA SER A 61 -12.427 -1.422 -4.401 1.00 0.00 C ATOM 1062 C SER A 61 -13.107 -0.091 -4.754 1.00 0.00 C ATOM 1063 O SER A 61 -14.211 -0.072 -5.261 1.00 0.00 O ATOM 1064 CB SER A 61 -12.853 -1.885 -3.008 1.00 0.00 C ATOM 1065 OG SER A 61 -13.311 -3.228 -3.080 1.00 0.00 O ATOM 0 H SER A 61 -10.583 -1.142 -3.376 1.00 0.00 H new ATOM 0 HA SER A 61 -12.712 -2.135 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.015 -1.811 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.642 -1.239 -2.623 1.00 0.00 H new ATOM 0 HG SER A 61 -13.583 -3.529 -2.188 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.468 1.024 -4.493 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.103 2.325 -4.822 1.00 0.00 C ATOM 1073 C VAL A 62 -12.549 2.855 -6.145 1.00 0.00 C ATOM 1074 O VAL A 62 -12.444 4.047 -6.361 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.766 3.279 -3.660 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -13.074 2.622 -2.309 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.285 3.672 -3.697 1.00 0.00 C ATOM 0 H VAL A 62 -11.542 1.083 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.182 2.229 -4.940 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.382 4.171 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.828 3.314 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -14.133 2.370 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.480 1.715 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.067 4.346 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.669 2.777 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.065 4.173 -4.640 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.200 1.969 -7.028 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.654 2.396 -8.347 1.00 0.00 C ATOM 1089 C GLY A 63 -10.232 2.935 -8.175 1.00 0.00 C ATOM 1090 O GLY A 63 -9.769 3.744 -8.955 1.00 0.00 O ATOM 0 H GLY A 63 -12.269 0.960 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.651 1.554 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.293 3.164 -8.783 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.528 2.500 -7.163 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.142 2.999 -6.958 1.00 0.00 C ATOM 1096 C ALA A 64 -7.225 2.497 -8.077 1.00 0.00 C ATOM 1097 O ALA A 64 -7.352 1.383 -8.545 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.707 2.424 -5.610 1.00 0.00 C ATOM 0 H ALA A 64 -9.854 1.823 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.091 4.088 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.691 2.748 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.380 2.778 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.739 1.335 -5.651 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.302 3.310 -8.510 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.376 2.881 -9.597 1.00 0.00 C ATOM 1106 C GLN A 65 -3.954 2.706 -9.045 1.00 0.00 C ATOM 1107 O GLN A 65 -3.278 3.677 -8.768 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.414 4.017 -10.619 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.468 3.430 -12.032 1.00 0.00 C ATOM 1110 CD GLN A 65 -4.907 4.446 -13.030 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -5.651 5.183 -13.647 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -3.618 4.520 -13.212 1.00 0.00 N ATOM 0 H GLN A 65 -6.148 4.255 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.668 1.926 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.284 4.650 -10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.533 4.649 -10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.892 2.506 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.496 3.177 -12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.994 3.902 -12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.234 5.196 -13.872 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.542 1.468 -8.897 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.189 1.181 -8.374 1.00 0.00 C ATOM 1123 C PRO A 66 -1.147 1.255 -9.494 1.00 0.00 C ATOM 1124 O PRO A 66 -1.258 0.580 -10.498 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.305 -0.247 -7.854 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.421 -0.871 -8.637 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.287 0.237 -9.189 1.00 0.00 C ATOM 0 HA PRO A 66 -1.871 1.892 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.373 -0.793 -7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.521 -0.259 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.022 -1.481 -9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.009 -1.532 -8.000 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.450 0.117 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.269 0.246 -8.716 1.00 0.00 H new ATOM 1135 N THR A 67 -0.128 2.055 -9.329 1.00 0.00 N ATOM 1136 CA THR A 67 0.916 2.141 -10.390 1.00 0.00 C ATOM 1137 C THR A 67 1.519 0.753 -10.611 1.00 0.00 C ATOM 1138 O THR A 67 1.465 -0.092 -9.748 1.00 0.00 O ATOM 1139 CB THR A 67 1.968 3.112 -9.850 1.00 0.00 C ATOM 1140 OG1 THR A 67 3.036 3.215 -10.783 1.00 0.00 O ATOM 1141 CG2 THR A 67 2.505 2.600 -8.513 1.00 0.00 C ATOM 0 H THR A 67 0.026 2.648 -8.513 1.00 0.00 H new ATOM 0 HA THR A 67 0.520 2.484 -11.346 1.00 0.00 H new ATOM 0 HB THR A 67 1.515 4.092 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.711 3.838 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.254 3.294 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.686 2.521 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.958 1.619 -8.655 1.00 0.00 H new ATOM 1149 N ASP A 68 2.077 0.504 -11.761 1.00 0.00 N ATOM 1150 CA ASP A 68 2.661 -0.845 -12.031 1.00 0.00 C ATOM 1151 C ASP A 68 3.586 -1.297 -10.893 1.00 0.00 C ATOM 1152 O ASP A 68 3.497 -2.410 -10.415 1.00 0.00 O ATOM 1153 CB ASP A 68 3.455 -0.677 -13.328 1.00 0.00 C ATOM 1154 CG ASP A 68 2.796 -1.494 -14.441 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.860 -0.992 -15.042 1.00 0.00 O ATOM 1156 OD2 ASP A 68 3.238 -2.607 -14.674 1.00 0.00 O ATOM 0 H ASP A 68 2.156 1.173 -12.527 1.00 0.00 H new ATOM 0 HA ASP A 68 1.885 -1.607 -12.110 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.493 0.375 -13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.484 -1.006 -13.182 1.00 0.00 H new ATOM 1161 N THR A 69 4.485 -0.454 -10.472 1.00 0.00 N ATOM 1162 CA THR A 69 5.432 -0.845 -9.381 1.00 0.00 C ATOM 1163 C THR A 69 4.698 -1.156 -8.075 1.00 0.00 C ATOM 1164 O THR A 69 4.836 -2.226 -7.513 1.00 0.00 O ATOM 1165 CB THR A 69 6.315 0.373 -9.186 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.537 1.010 -10.436 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.653 -0.043 -8.571 1.00 0.00 C ATOM 0 H THR A 69 4.609 0.492 -10.834 1.00 0.00 H new ATOM 0 HA THR A 69 5.987 -1.745 -9.646 1.00 0.00 H new ATOM 0 HB THR A 69 5.816 1.069 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.106 1.797 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.280 0.838 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.478 -0.517 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.155 -0.747 -9.235 1.00 0.00 H new ATOM 1175 N ALA A 70 3.928 -0.230 -7.579 1.00 0.00 N ATOM 1176 CA ALA A 70 3.204 -0.474 -6.308 1.00 0.00 C ATOM 1177 C ALA A 70 2.140 -1.530 -6.538 1.00 0.00 C ATOM 1178 O ALA A 70 1.755 -2.248 -5.638 1.00 0.00 O ATOM 1179 CB ALA A 70 2.571 0.865 -5.938 1.00 0.00 C ATOM 0 H ALA A 70 3.770 0.685 -8.001 1.00 0.00 H new ATOM 0 HA ALA A 70 3.856 -0.833 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.017 0.760 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.352 1.615 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.891 1.177 -6.730 1.00 0.00 H new ATOM 1185 N ARG A 71 1.683 -1.650 -7.750 1.00 0.00 N ATOM 1186 CA ARG A 71 0.675 -2.678 -8.043 1.00 0.00 C ATOM 1187 C ARG A 71 1.362 -4.024 -7.939 1.00 0.00 C ATOM 1188 O ARG A 71 0.816 -4.980 -7.427 1.00 0.00 O ATOM 1189 CB ARG A 71 0.203 -2.408 -9.472 1.00 0.00 C ATOM 1190 CG ARG A 71 -0.806 -3.477 -9.890 1.00 0.00 C ATOM 1191 CD ARG A 71 -1.319 -3.171 -11.300 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.544 -4.506 -11.928 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.898 -4.605 -13.188 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -2.057 -3.536 -13.930 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.091 -5.786 -13.711 1.00 0.00 N ATOM 0 H ARG A 71 1.969 -1.077 -8.544 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.175 -2.665 -7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.252 -1.420 -9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.054 -2.411 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.339 -4.462 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.638 -3.502 -9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.241 -2.590 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.594 -2.586 -11.866 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.421 -5.352 -11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.905 -2.610 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.332 -3.630 -14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.967 -6.623 -13.141 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.366 -5.872 -14.689 1.00 0.00 H new ATOM 1209 N ARG A 72 2.586 -4.091 -8.393 1.00 0.00 N ATOM 1210 CA ARG A 72 3.324 -5.365 -8.294 1.00 0.00 C ATOM 1211 C ARG A 72 3.460 -5.729 -6.822 1.00 0.00 C ATOM 1212 O ARG A 72 3.493 -6.884 -6.449 1.00 0.00 O ATOM 1213 CB ARG A 72 4.688 -5.097 -8.921 1.00 0.00 C ATOM 1214 CG ARG A 72 4.839 -5.968 -10.165 1.00 0.00 C ATOM 1215 CD ARG A 72 5.836 -5.321 -11.127 1.00 0.00 C ATOM 1216 NE ARG A 72 7.171 -5.813 -10.679 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.264 -5.458 -11.310 1.00 0.00 C ATOM 1218 NH1 ARG A 72 8.214 -4.663 -12.350 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.418 -5.904 -10.895 1.00 0.00 N ATOM 0 H ARG A 72 3.096 -3.320 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 72 2.824 -6.192 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.781 -4.044 -9.185 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.481 -5.318 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.183 -6.964 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.873 -6.091 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.634 -5.609 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.780 -4.233 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 72 7.234 -6.433 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.315 -4.311 -12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.074 -4.396 -12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.464 -6.523 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.274 -5.633 -11.380 1.00 0.00 H new ATOM 1233 N LEU A 73 3.521 -4.735 -5.981 1.00 0.00 N ATOM 1234 CA LEU A 73 3.630 -4.990 -4.534 1.00 0.00 C ATOM 1235 C LEU A 73 2.257 -5.365 -3.998 1.00 0.00 C ATOM 1236 O LEU A 73 2.121 -6.241 -3.167 1.00 0.00 O ATOM 1237 CB LEU A 73 4.129 -3.683 -3.925 1.00 0.00 C ATOM 1238 CG LEU A 73 5.433 -3.270 -4.612 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.725 -1.800 -4.308 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.583 -4.134 -4.093 1.00 0.00 C ATOM 0 H LEU A 73 3.499 -3.750 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 73 4.309 -5.808 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.378 -2.902 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.292 -3.806 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 73 5.334 -3.408 -5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.653 -1.505 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.907 -1.182 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.823 -1.664 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.510 -3.838 -4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.683 -3.998 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.377 -5.182 -4.309 1.00 0.00 H new ATOM 1252 N LEU A 74 1.226 -4.738 -4.501 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.135 -5.103 -4.047 1.00 0.00 C ATOM 1254 C LEU A 74 -0.369 -6.557 -4.433 1.00 0.00 C ATOM 1255 O LEU A 74 -1.067 -7.294 -3.766 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.087 -4.183 -4.811 1.00 0.00 C ATOM 1257 CG LEU A 74 -0.983 -2.766 -4.258 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -1.866 -1.829 -5.082 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.447 -2.752 -2.799 1.00 0.00 C ATOM 0 H LEU A 74 1.273 -3.997 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.280 -4.995 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.840 -4.189 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.111 -4.546 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 74 0.053 -2.431 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.791 -0.816 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.536 -1.838 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.902 -2.164 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.373 -1.739 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.482 -3.088 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.817 -3.419 -2.210 1.00 0.00 H new ATOM 1271 N ARG A 75 0.244 -6.972 -5.511 1.00 0.00 N ATOM 1272 CA ARG A 75 0.102 -8.373 -5.964 1.00 0.00 C ATOM 1273 C ARG A 75 1.005 -9.253 -5.119 1.00 0.00 C ATOM 1274 O ARG A 75 0.737 -10.417 -4.899 1.00 0.00 O ATOM 1275 CB ARG A 75 0.561 -8.369 -7.420 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.548 -8.939 -8.302 1.00 0.00 C ATOM 1277 CD ARG A 75 0.072 -9.668 -9.497 1.00 0.00 C ATOM 1278 NE ARG A 75 0.109 -11.106 -9.095 1.00 0.00 N ATOM 1279 CZ ARG A 75 -0.972 -11.848 -9.145 1.00 0.00 C ATOM 1280 NH1 ARG A 75 -2.117 -11.349 -9.540 1.00 0.00 N ATOM 1281 NH2 ARG A 75 -0.906 -13.104 -8.794 1.00 0.00 N ATOM 0 H ARG A 75 0.841 -6.389 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.916 -8.753 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.805 -7.354 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.469 -8.963 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.168 -9.626 -7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.199 -8.137 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.524 -9.525 -10.399 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.072 -9.293 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 75 0.987 -11.517 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.178 -10.369 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.947 -11.941 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.019 -13.501 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.741 -13.688 -8.830 1.00 0.00 H new ATOM 1295 N GLN A 76 2.074 -8.693 -4.634 1.00 0.00 N ATOM 1296 CA GLN A 76 2.997 -9.473 -3.795 1.00 0.00 C ATOM 1297 C GLN A 76 2.388 -9.647 -2.422 1.00 0.00 C ATOM 1298 O GLN A 76 2.510 -10.676 -1.788 1.00 0.00 O ATOM 1299 CB GLN A 76 4.258 -8.627 -3.752 1.00 0.00 C ATOM 1300 CG GLN A 76 5.437 -9.475 -3.283 1.00 0.00 C ATOM 1301 CD GLN A 76 5.694 -10.591 -4.296 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.920 -11.726 -3.924 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.672 -10.315 -5.572 1.00 0.00 N ATOM 0 H GLN A 76 2.343 -7.721 -4.788 1.00 0.00 H new ATOM 0 HA GLN A 76 3.203 -10.475 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.465 -8.216 -4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.116 -7.782 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.326 -8.854 -3.176 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.226 -9.901 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.482 -9.363 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.844 -11.052 -6.256 1.00 0.00 H new ATOM 1312 N ALA A 77 1.705 -8.648 -1.981 1.00 0.00 N ATOM 1313 CA ALA A 77 1.039 -8.728 -0.662 1.00 0.00 C ATOM 1314 C ALA A 77 -0.140 -9.710 -0.726 1.00 0.00 C ATOM 1315 O ALA A 77 -0.742 -10.035 0.278 1.00 0.00 O ATOM 1316 CB ALA A 77 0.539 -7.315 -0.386 1.00 0.00 C ATOM 0 H ALA A 77 1.575 -7.768 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 77 1.710 -9.083 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.031 -7.291 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.384 -6.627 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.157 -7.016 -1.170 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.478 -10.181 -1.901 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.619 -11.133 -2.028 1.00 0.00 C ATOM 1324 C GLY A 78 -2.931 -10.350 -2.104 1.00 0.00 C ATOM 1325 O GLY A 78 -3.852 -10.591 -1.351 1.00 0.00 O ATOM 0 H GLY A 78 -0.011 -9.946 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.497 -11.746 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.637 -11.812 -1.175 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.022 -9.407 -3.006 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.270 -8.607 -3.120 1.00 0.00 C ATOM 1331 C VAL A 79 -5.040 -8.948 -4.402 1.00 0.00 C ATOM 1332 O VAL A 79 -6.123 -8.447 -4.633 1.00 0.00 O ATOM 1333 CB VAL A 79 -3.813 -7.157 -3.157 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.034 -6.239 -3.238 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.017 -6.835 -1.891 1.00 0.00 C ATOM 0 H VAL A 79 -2.285 -9.159 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.946 -8.812 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.180 -7.001 -4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.707 -5.200 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.599 -6.465 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.667 -6.398 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.691 -5.795 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.647 -6.993 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.145 -7.487 -1.834 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.495 -9.786 -5.244 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.207 -10.132 -6.508 1.00 0.00 C ATOM 1347 C PHE A 80 -5.648 -11.597 -6.478 1.00 0.00 C ATOM 1348 O PHE A 80 -5.571 -12.300 -7.466 1.00 0.00 O ATOM 1349 CB PHE A 80 -4.181 -9.902 -7.622 1.00 0.00 C ATOM 1350 CG PHE A 80 -3.811 -8.435 -7.687 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.092 -7.846 -6.641 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.182 -7.665 -8.797 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.748 -6.494 -6.702 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.834 -6.309 -8.857 1.00 0.00 C ATOM 1355 CZ PHE A 80 -3.116 -5.725 -7.806 1.00 0.00 C ATOM 0 H PHE A 80 -3.593 -10.243 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.104 -9.531 -6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.290 -10.503 -7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.591 -10.225 -8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.803 -8.438 -5.785 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -4.736 -8.117 -9.607 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.195 -6.042 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.119 -5.715 -9.713 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.847 -4.680 -7.850 1.00 0.00 H new ATOM 1365 N ARG A 81 -6.109 -12.063 -5.350 1.00 0.00 N ATOM 1366 CA ARG A 81 -6.553 -13.482 -5.257 1.00 0.00 C ATOM 1367 C ARG A 81 -7.621 -13.774 -6.315 1.00 0.00 C ATOM 1368 O ARG A 81 -8.206 -12.875 -6.886 1.00 0.00 O ATOM 1369 CB ARG A 81 -7.136 -13.622 -3.851 1.00 0.00 C ATOM 1370 CG ARG A 81 -6.002 -13.861 -2.851 1.00 0.00 C ATOM 1371 CD ARG A 81 -6.587 -14.289 -1.505 1.00 0.00 C ATOM 1372 NE ARG A 81 -6.060 -15.665 -1.275 1.00 0.00 N ATOM 1373 CZ ARG A 81 -6.538 -16.417 -0.313 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -7.489 -15.978 0.475 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -6.057 -17.616 -0.135 1.00 0.00 N ATOM 0 H ARG A 81 -6.197 -11.523 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.737 -14.183 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.688 -12.721 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.844 -14.450 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.328 -14.631 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.412 -12.952 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.281 -13.611 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.677 -14.283 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.318 -16.026 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.867 -15.040 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.851 -16.575 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.314 -17.963 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.424 -18.207 0.611 1.00 0.00 H new ATOM 1389 N GLN A 82 -7.880 -15.026 -6.579 1.00 0.00 N ATOM 1390 CA GLN A 82 -8.910 -15.377 -7.597 1.00 0.00 C ATOM 1391 C GLN A 82 -9.713 -16.594 -7.133 1.00 0.00 C ATOM 1392 O GLN A 82 -9.195 -17.479 -6.482 1.00 0.00 O ATOM 1393 CB GLN A 82 -8.119 -15.702 -8.867 1.00 0.00 C ATOM 1394 CG GLN A 82 -7.148 -16.854 -8.593 1.00 0.00 C ATOM 1395 CD GLN A 82 -5.774 -16.527 -9.186 1.00 0.00 C ATOM 1396 OE1 GLN A 82 -5.575 -15.466 -9.744 1.00 0.00 O ATOM 1397 NE2 GLN A 82 -4.810 -17.401 -9.087 1.00 0.00 N ATOM 0 H GLN A 82 -7.422 -15.821 -6.133 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.624 -14.570 -7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.802 -15.973 -9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.569 -14.822 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.061 -17.020 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.532 -17.777 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.976 -18.292 -8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.891 -17.193 -9.478 1.00 0.00 H new ATOM 1406 N GLU A 83 -10.977 -16.644 -7.458 1.00 0.00 N ATOM 1407 CA GLU A 83 -11.814 -17.803 -7.027 1.00 0.00 C ATOM 1408 C GLU A 83 -11.133 -19.124 -7.402 1.00 0.00 C ATOM 1409 O GLU A 83 -10.399 -19.204 -8.367 1.00 0.00 O ATOM 1410 CB GLU A 83 -13.135 -17.643 -7.784 1.00 0.00 C ATOM 1411 CG GLU A 83 -12.890 -17.779 -9.290 1.00 0.00 C ATOM 1412 CD GLU A 83 -14.025 -17.101 -10.064 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -14.850 -16.458 -9.433 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -14.051 -17.237 -11.276 1.00 0.00 O ATOM 0 H GLU A 83 -11.466 -15.934 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.963 -17.823 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.848 -18.398 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.575 -16.670 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.935 -17.325 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.829 -18.832 -9.564 1.00 0.00 H new ATOM 1421 N ALA A 84 -11.370 -20.159 -6.644 1.00 0.00 N ATOM 1422 CA ALA A 84 -10.736 -21.471 -6.954 1.00 0.00 C ATOM 1423 C ALA A 84 -11.678 -22.616 -6.572 1.00 0.00 C ATOM 1424 O ALA A 84 -12.213 -23.302 -7.420 1.00 0.00 O ATOM 1425 CB ALA A 84 -9.468 -21.509 -6.099 1.00 0.00 C ATOM 0 H ALA A 84 -11.975 -20.153 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.515 -21.584 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -8.942 -22.448 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.821 -20.675 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.737 -21.431 -5.046 1.00 0.00 H new ATOM 1431 N ARG A 85 -11.885 -22.825 -5.300 1.00 0.00 N ATOM 1432 CA ARG A 85 -12.794 -23.924 -4.863 1.00 0.00 C ATOM 1433 C ARG A 85 -14.243 -23.590 -5.224 1.00 0.00 C ATOM 1434 O ARG A 85 -15.059 -24.466 -5.438 1.00 0.00 O ATOM 1435 CB ARG A 85 -12.626 -23.996 -3.344 1.00 0.00 C ATOM 1436 CG ARG A 85 -11.393 -24.834 -3.002 1.00 0.00 C ATOM 1437 CD ARG A 85 -11.751 -26.321 -3.062 1.00 0.00 C ATOM 1438 NE ARG A 85 -11.887 -26.742 -1.637 1.00 0.00 N ATOM 1439 CZ ARG A 85 -12.372 -27.921 -1.326 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -12.743 -28.764 -2.258 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -12.486 -28.260 -0.071 1.00 0.00 N ATOM 0 H ARG A 85 -11.465 -22.283 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.556 -24.871 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.521 -22.992 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.514 -24.436 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.586 -24.615 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -11.030 -24.577 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.678 -26.482 -3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.976 -26.894 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.599 -26.105 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.657 -28.507 -3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -13.118 -29.677 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.199 -27.610 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.862 -29.175 0.178 1.00 0.00 H new ATOM 1455 N GLU A 86 -14.571 -22.329 -5.291 1.00 0.00 N ATOM 1456 CA GLU A 86 -15.968 -21.936 -5.633 1.00 0.00 C ATOM 1457 C GLU A 86 -16.376 -22.531 -6.983 1.00 0.00 C ATOM 1458 O GLU A 86 -15.564 -22.692 -7.874 1.00 0.00 O ATOM 1459 CB GLU A 86 -15.944 -20.409 -5.705 1.00 0.00 C ATOM 1460 CG GLU A 86 -16.556 -19.828 -4.428 1.00 0.00 C ATOM 1461 CD GLU A 86 -16.865 -18.344 -4.637 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -17.197 -17.979 -5.752 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -16.766 -17.598 -3.677 1.00 0.00 O ATOM 0 H GLU A 86 -13.931 -21.552 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.688 -22.299 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.920 -20.056 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.502 -20.067 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.468 -20.367 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.867 -19.952 -3.593 1.00 0.00 H new ATOM 1470 N GLY A 87 -17.629 -22.859 -7.142 1.00 0.00 N ATOM 1471 CA GLY A 87 -18.090 -23.442 -8.433 1.00 0.00 C ATOM 1472 C GLY A 87 -18.232 -22.332 -9.476 1.00 0.00 C ATOM 1473 O GLY A 87 -18.019 -22.543 -10.653 1.00 0.00 O ATOM 0 H GLY A 87 -18.354 -22.748 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.379 -24.192 -8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -19.045 -23.949 -8.294 1.00 0.00 H new ATOM 1477 N ALA A 88 -18.589 -21.151 -9.053 1.00 0.00 N ATOM 1478 CA ALA A 88 -18.743 -20.029 -10.024 1.00 0.00 C ATOM 1479 C ALA A 88 -17.368 -19.542 -10.490 1.00 0.00 C ATOM 1480 O ALA A 88 -16.937 -19.971 -11.549 1.00 0.00 O ATOM 1481 CB ALA A 88 -19.468 -18.929 -9.249 1.00 0.00 C ATOM 1482 OXT ALA A 88 -16.770 -18.751 -9.781 1.00 0.00 O ATOM 0 H ALA A 88 -18.781 -20.914 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.294 -20.327 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.619 -18.066 -9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.434 -19.300 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.868 -18.635 -8.388 1.00 0.00 H new TER 1488 ALA A 88