USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -160:sc= -0.187 (180deg=-1.37) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.731 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.713 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.81! C(o=-3.8!,f=-5.8!) USER MOD Single : A 64 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-4.6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 28:sc= 1.13 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 151:sc= -0.0876 (180deg=-1.07) USER MOD Single : A 85 MET CE :methyl 173:sc= 0 (180deg=-0.0907) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.745 1.517 -0.103 1.00 61.13 N ATOM 2 CA HIS A 1 2.113 0.562 -1.007 1.00 41.21 C ATOM 3 C HIS A 1 2.954 -0.704 -1.134 1.00 62.34 C ATOM 4 O HIS A 1 4.144 -0.642 -1.442 1.00 22.13 O ATOM 5 CB HIS A 1 1.907 1.192 -2.385 1.00 33.00 C ATOM 6 CG HIS A 1 0.805 2.206 -2.421 1.00 45.40 C ATOM 7 ND1 HIS A 1 -0.531 1.868 -2.398 1.00 20.43 N ATOM 8 CD2 HIS A 1 0.848 3.558 -2.477 1.00 44.13 C ATOM 9 CE1 HIS A 1 -1.262 2.967 -2.440 1.00 34.11 C ATOM 10 NE2 HIS A 1 -0.449 4.007 -2.488 1.00 74.31 N ATOM 0 H1 HIS A 1 2.155 2.371 -0.032 1.00 61.13 H new ATOM 0 H2 HIS A 1 2.848 1.088 0.839 1.00 61.13 H new ATOM 0 H3 HIS A 1 3.683 1.774 -0.470 1.00 61.13 H new ATOM 0 HA HIS A 1 1.143 0.292 -0.590 1.00 41.21 H new ATOM 0 HB2 HIS A 1 2.836 1.666 -2.701 1.00 33.00 H new ATOM 0 HB3 HIS A 1 1.689 0.405 -3.107 1.00 33.00 H new ATOM 0 HD2 HIS A 1 1.738 4.170 -2.507 1.00 44.13 H new ATOM 0 HE1 HIS A 1 -2.341 3.008 -2.436 1.00 34.11 H new ATOM 0 HE2 HIS A 1 -0.738 4.984 -2.527 1.00 74.31 H new ATOM 18 N MET A 2 2.327 -1.852 -0.895 1.00 45.42 N ATOM 19 CA MET A 2 3.019 -3.133 -0.984 1.00 11.53 C ATOM 20 C MET A 2 2.086 -4.219 -1.509 1.00 52.22 C ATOM 21 O MET A 2 0.885 -4.203 -1.239 1.00 1.11 O ATOM 22 CB MET A 2 3.569 -3.535 0.386 1.00 31.10 C ATOM 23 CG MET A 2 2.577 -3.337 1.521 1.00 24.41 C ATOM 24 SD MET A 2 3.266 -3.776 3.129 1.00 52.31 S ATOM 25 CE MET A 2 3.644 -5.508 2.874 1.00 5.33 C ATOM 0 H MET A 2 1.342 -1.921 -0.639 1.00 45.42 H new ATOM 0 HA MET A 2 3.848 -3.023 -1.683 1.00 11.53 H new ATOM 0 HB2 MET A 2 3.869 -4.583 0.355 1.00 31.10 H new ATOM 0 HB3 MET A 2 4.467 -2.953 0.593 1.00 31.10 H new ATOM 0 HG2 MET A 2 2.255 -2.296 1.540 1.00 24.41 H new ATOM 0 HG3 MET A 2 1.690 -3.942 1.333 1.00 24.41 H new ATOM 0 HE1 MET A 2 3.736 -6.006 3.839 1.00 5.33 H new ATOM 0 HE2 MET A 2 2.843 -5.974 2.300 1.00 5.33 H new ATOM 0 HE3 MET A 2 4.583 -5.599 2.328 1.00 5.33 H new ATOM 35 N SER A 3 2.646 -5.161 -2.261 1.00 51.35 N ATOM 36 CA SER A 3 1.863 -6.252 -2.828 1.00 73.43 C ATOM 37 C SER A 3 2.536 -7.596 -2.567 1.00 71.45 C ATOM 38 O SER A 3 3.741 -7.663 -2.324 1.00 25.41 O ATOM 39 CB SER A 3 1.675 -6.046 -4.333 1.00 24.44 C ATOM 40 OG SER A 3 0.836 -4.935 -4.595 1.00 21.04 O ATOM 0 H SER A 3 3.639 -5.190 -2.492 1.00 51.35 H new ATOM 0 HA SER A 3 0.886 -6.254 -2.345 1.00 73.43 H new ATOM 0 HB2 SER A 3 2.645 -5.893 -4.806 1.00 24.44 H new ATOM 0 HB3 SER A 3 1.243 -6.944 -4.775 1.00 24.44 H new ATOM 0 HG SER A 3 0.733 -4.824 -5.563 1.00 21.04 H new ATOM 46 N LEU A 4 1.749 -8.665 -2.620 1.00 74.11 N ATOM 47 CA LEU A 4 2.267 -10.009 -2.390 1.00 31.22 C ATOM 48 C LEU A 4 1.682 -10.998 -3.394 1.00 4.42 C ATOM 49 O LEU A 4 0.479 -10.997 -3.654 1.00 73.11 O ATOM 50 CB LEU A 4 1.947 -10.463 -0.965 1.00 31.25 C ATOM 51 CG LEU A 4 2.222 -9.444 0.142 1.00 35.31 C ATOM 52 CD1 LEU A 4 1.465 -9.814 1.408 1.00 33.32 C ATOM 53 CD2 LEU A 4 3.715 -9.348 0.420 1.00 74.11 C ATOM 0 H LEU A 4 0.750 -8.627 -2.820 1.00 74.11 H new ATOM 0 HA LEU A 4 3.349 -9.982 -2.522 1.00 31.22 H new ATOM 0 HB2 LEU A 4 0.894 -10.741 -0.922 1.00 31.25 H new ATOM 0 HB3 LEU A 4 2.524 -11.363 -0.754 1.00 31.25 H new ATOM 0 HG LEU A 4 1.872 -8.468 -0.194 1.00 35.31 H new ATOM 0 HD11 LEU A 4 1.673 -9.078 2.185 1.00 33.32 H new ATOM 0 HD12 LEU A 4 0.395 -9.830 1.201 1.00 33.32 H new ATOM 0 HD13 LEU A 4 1.784 -10.799 1.748 1.00 33.32 H new ATOM 0 HD21 LEU A 4 3.892 -8.618 1.210 1.00 74.11 H new ATOM 0 HD22 LEU A 4 4.090 -10.322 0.735 1.00 74.11 H new ATOM 0 HD23 LEU A 4 4.234 -9.035 -0.486 1.00 74.11 H new ATOM 65 N THR A 5 2.542 -11.842 -3.954 1.00 65.44 N ATOM 66 CA THR A 5 2.112 -12.837 -4.929 1.00 10.02 C ATOM 67 C THR A 5 1.241 -13.905 -4.277 1.00 0.45 C ATOM 68 O THR A 5 1.573 -14.425 -3.212 1.00 32.54 O ATOM 69 CB THR A 5 3.316 -13.517 -5.607 1.00 3.00 C ATOM 70 OG1 THR A 5 4.492 -13.340 -4.809 1.00 42.33 O ATOM 71 CG2 THR A 5 3.549 -12.944 -6.997 1.00 20.21 C ATOM 0 H THR A 5 3.541 -11.857 -3.749 1.00 65.44 H new ATOM 0 HA THR A 5 1.530 -12.308 -5.684 1.00 10.02 H new ATOM 0 HB THR A 5 3.099 -14.581 -5.702 1.00 3.00 H new ATOM 0 HG1 THR A 5 5.253 -13.777 -5.246 1.00 42.33 H new ATOM 0 HG21 THR A 5 4.404 -13.440 -7.456 1.00 20.21 H new ATOM 0 HG22 THR A 5 2.663 -13.106 -7.611 1.00 20.21 H new ATOM 0 HG23 THR A 5 3.747 -11.875 -6.921 1.00 20.21 H new ATOM 79 N VAL A 6 0.125 -14.227 -4.922 1.00 71.15 N ATOM 80 CA VAL A 6 -0.793 -15.235 -4.406 1.00 15.22 C ATOM 81 C VAL A 6 -0.940 -16.397 -5.382 1.00 15.50 C ATOM 82 O VAL A 6 -1.333 -16.209 -6.534 1.00 13.34 O ATOM 83 CB VAL A 6 -2.184 -14.635 -4.125 1.00 32.40 C ATOM 84 CG1 VAL A 6 -2.738 -13.963 -5.372 1.00 4.41 C ATOM 85 CG2 VAL A 6 -3.136 -15.711 -3.623 1.00 2.35 C ATOM 0 H VAL A 6 -0.166 -13.804 -5.804 1.00 71.15 H new ATOM 0 HA VAL A 6 -0.368 -15.602 -3.472 1.00 15.22 H new ATOM 0 HB VAL A 6 -2.083 -13.878 -3.347 1.00 32.40 H new ATOM 0 HG11 VAL A 6 -3.721 -13.545 -5.154 1.00 4.41 H new ATOM 0 HG12 VAL A 6 -2.065 -13.164 -5.684 1.00 4.41 H new ATOM 0 HG13 VAL A 6 -2.825 -14.697 -6.173 1.00 4.41 H new ATOM 0 HG21 VAL A 6 -4.114 -15.270 -3.429 1.00 2.35 H new ATOM 0 HG22 VAL A 6 -3.233 -16.492 -4.377 1.00 2.35 H new ATOM 0 HG23 VAL A 6 -2.744 -16.143 -2.702 1.00 2.35 H new ATOM 95 N LYS A 7 -0.623 -17.599 -4.914 1.00 41.12 N ATOM 96 CA LYS A 7 -0.721 -18.794 -5.744 1.00 42.32 C ATOM 97 C LYS A 7 -2.018 -19.546 -5.464 1.00 41.12 C ATOM 98 O LYS A 7 -2.448 -19.655 -4.316 1.00 42.33 O ATOM 99 CB LYS A 7 0.478 -19.712 -5.495 1.00 73.24 C ATOM 100 CG LYS A 7 1.809 -19.094 -5.887 1.00 30.42 C ATOM 101 CD LYS A 7 2.777 -20.142 -6.412 1.00 11.44 C ATOM 102 CE LYS A 7 3.089 -21.191 -5.356 1.00 4.35 C ATOM 103 NZ LYS A 7 4.476 -21.718 -5.491 1.00 15.14 N ATOM 0 H LYS A 7 -0.296 -17.772 -3.964 1.00 41.12 H new ATOM 0 HA LYS A 7 -0.721 -18.482 -6.788 1.00 42.32 H new ATOM 0 HB2 LYS A 7 0.508 -19.978 -4.438 1.00 73.24 H new ATOM 0 HB3 LYS A 7 0.338 -20.638 -6.053 1.00 73.24 H new ATOM 0 HG2 LYS A 7 1.647 -18.332 -6.650 1.00 30.42 H new ATOM 0 HG3 LYS A 7 2.247 -18.593 -5.024 1.00 30.42 H new ATOM 0 HD2 LYS A 7 2.350 -20.625 -7.291 1.00 11.44 H new ATOM 0 HD3 LYS A 7 3.701 -19.659 -6.730 1.00 11.44 H new ATOM 0 HE2 LYS A 7 2.960 -20.758 -4.364 1.00 4.35 H new ATOM 0 HE3 LYS A 7 2.378 -22.013 -5.440 1.00 4.35 H new ATOM 0 HZ1 LYS A 7 4.650 -22.430 -4.753 1.00 15.14 H new ATOM 0 HZ2 LYS A 7 4.592 -22.154 -6.428 1.00 15.14 H new ATOM 0 HZ3 LYS A 7 5.156 -20.938 -5.386 1.00 15.14 H new ATOM 117 N ALA A 8 -2.636 -20.064 -6.520 1.00 62.44 N ATOM 118 CA ALA A 8 -3.882 -20.809 -6.387 1.00 65.41 C ATOM 119 C ALA A 8 -3.746 -22.213 -6.967 1.00 33.32 C ATOM 120 O ALA A 8 -2.981 -22.437 -7.905 1.00 23.02 O ATOM 121 CB ALA A 8 -5.019 -20.062 -7.068 1.00 63.41 C ATOM 0 H ALA A 8 -2.294 -19.981 -7.477 1.00 62.44 H new ATOM 0 HA ALA A 8 -4.109 -20.903 -5.325 1.00 65.41 H new ATOM 0 HB1 ALA A 8 -5.943 -20.630 -6.961 1.00 63.41 H new ATOM 0 HB2 ALA A 8 -5.139 -19.082 -6.605 1.00 63.41 H new ATOM 0 HB3 ALA A 8 -4.790 -19.938 -8.126 1.00 63.41 H new ATOM 127 N TYR A 9 -4.493 -23.156 -6.403 1.00 14.44 N ATOM 128 CA TYR A 9 -4.454 -24.539 -6.862 1.00 13.02 C ATOM 129 C TYR A 9 -5.858 -25.050 -7.171 1.00 30.31 C ATOM 130 O TYR A 9 -6.703 -25.158 -6.281 1.00 3.32 O ATOM 131 CB TYR A 9 -3.796 -25.430 -5.807 1.00 44.13 C ATOM 132 CG TYR A 9 -2.364 -25.051 -5.503 1.00 2.20 C ATOM 133 CD1 TYR A 9 -2.068 -24.085 -4.548 1.00 73.25 C ATOM 134 CD2 TYR A 9 -1.307 -25.657 -6.170 1.00 62.13 C ATOM 135 CE1 TYR A 9 -0.762 -23.735 -4.267 1.00 42.05 C ATOM 136 CE2 TYR A 9 0.003 -25.314 -5.895 1.00 33.32 C ATOM 137 CZ TYR A 9 0.270 -24.353 -4.943 1.00 1.31 C ATOM 138 OH TYR A 9 1.573 -24.007 -4.667 1.00 22.35 O ATOM 0 H TYR A 9 -5.133 -22.987 -5.627 1.00 14.44 H new ATOM 0 HA TYR A 9 -3.864 -24.575 -7.778 1.00 13.02 H new ATOM 0 HB2 TYR A 9 -4.379 -25.381 -4.887 1.00 44.13 H new ATOM 0 HB3 TYR A 9 -3.825 -26.465 -6.148 1.00 44.13 H new ATOM 0 HD1 TYR A 9 -2.873 -23.600 -4.017 1.00 73.25 H new ATOM 0 HD2 TYR A 9 -1.513 -26.410 -6.917 1.00 62.13 H new ATOM 0 HE1 TYR A 9 -0.550 -22.982 -3.523 1.00 42.05 H new ATOM 0 HE2 TYR A 9 0.813 -25.796 -6.423 1.00 33.32 H new ATOM 0 HH TYR A 9 2.178 -24.536 -5.229 1.00 22.35 H new ATOM 148 N LEU A 10 -6.100 -25.365 -8.439 1.00 21.14 N ATOM 149 CA LEU A 10 -7.401 -25.866 -8.868 1.00 21.54 C ATOM 150 C LEU A 10 -7.504 -27.372 -8.648 1.00 65.41 C ATOM 151 O LEU A 10 -6.559 -28.116 -8.917 1.00 3.32 O ATOM 152 CB LEU A 10 -7.635 -25.538 -10.343 1.00 50.50 C ATOM 153 CG LEU A 10 -9.073 -25.194 -10.734 1.00 43.12 C ATOM 154 CD1 LEU A 10 -9.989 -26.385 -10.500 1.00 1.24 C ATOM 155 CD2 LEU A 10 -9.562 -23.981 -9.956 1.00 62.00 C ATOM 0 H LEU A 10 -5.412 -25.282 -9.188 1.00 21.14 H new ATOM 0 HA LEU A 10 -8.167 -25.376 -8.267 1.00 21.54 H new ATOM 0 HB2 LEU A 10 -6.995 -24.698 -10.614 1.00 50.50 H new ATOM 0 HB3 LEU A 10 -7.311 -26.391 -10.940 1.00 50.50 H new ATOM 0 HG LEU A 10 -9.092 -24.951 -11.796 1.00 43.12 H new ATOM 0 HD11 LEU A 10 -11.008 -26.122 -10.784 1.00 1.24 H new ATOM 0 HD12 LEU A 10 -9.651 -27.228 -11.103 1.00 1.24 H new ATOM 0 HD13 LEU A 10 -9.966 -26.660 -9.446 1.00 1.24 H new ATOM 0 HD21 LEU A 10 -10.587 -23.751 -10.247 1.00 62.00 H new ATOM 0 HD22 LEU A 10 -9.528 -24.196 -8.888 1.00 62.00 H new ATOM 0 HD23 LEU A 10 -8.922 -23.126 -10.175 1.00 62.00 H new ATOM 167 N LEU A 11 -8.657 -27.817 -8.160 1.00 45.42 N ATOM 168 CA LEU A 11 -8.884 -29.235 -7.907 1.00 33.14 C ATOM 169 C LEU A 11 -10.116 -29.731 -8.657 1.00 33.44 C ATOM 170 O LEU A 11 -11.225 -29.242 -8.443 1.00 23.44 O ATOM 171 CB LEU A 11 -9.051 -29.485 -6.407 1.00 12.23 C ATOM 172 CG LEU A 11 -8.058 -28.767 -5.492 1.00 63.42 C ATOM 173 CD1 LEU A 11 -8.461 -28.929 -4.035 1.00 21.12 C ATOM 174 CD2 LEU A 11 -6.648 -29.294 -5.719 1.00 40.30 C ATOM 0 H LEU A 11 -9.449 -27.216 -7.932 1.00 45.42 H new ATOM 0 HA LEU A 11 -8.016 -29.787 -8.267 1.00 33.14 H new ATOM 0 HB2 LEU A 11 -10.060 -29.188 -6.120 1.00 12.23 H new ATOM 0 HB3 LEU A 11 -8.971 -30.557 -6.227 1.00 12.23 H new ATOM 0 HG LEU A 11 -8.072 -27.705 -5.735 1.00 63.42 H new ATOM 0 HD11 LEU A 11 -7.743 -28.412 -3.399 1.00 21.12 H new ATOM 0 HD12 LEU A 11 -9.453 -28.504 -3.882 1.00 21.12 H new ATOM 0 HD13 LEU A 11 -8.477 -29.988 -3.777 1.00 21.12 H new ATOM 0 HD21 LEU A 11 -5.954 -28.772 -5.060 1.00 40.30 H new ATOM 0 HD22 LEU A 11 -6.620 -30.362 -5.503 1.00 40.30 H new ATOM 0 HD23 LEU A 11 -6.359 -29.125 -6.756 1.00 40.30 H new ATOM 186 N GLY A 12 -9.914 -30.708 -9.536 1.00 31.21 N ATOM 187 CA GLY A 12 -11.018 -31.256 -10.303 1.00 23.14 C ATOM 188 C GLY A 12 -11.880 -32.199 -9.486 1.00 45.40 C ATOM 189 O GLY A 12 -12.404 -31.822 -8.438 1.00 10.22 O ATOM 0 H GLY A 12 -9.006 -31.130 -9.731 1.00 31.21 H new ATOM 0 HA2 GLY A 12 -11.634 -30.440 -10.680 1.00 23.14 H new ATOM 0 HA3 GLY A 12 -10.626 -31.787 -11.170 1.00 23.14 H new ATOM 193 N LYS A 13 -12.028 -33.428 -9.967 1.00 75.10 N ATOM 194 CA LYS A 13 -12.833 -34.428 -9.276 1.00 31.43 C ATOM 195 C LYS A 13 -11.955 -35.340 -8.425 1.00 64.31 C ATOM 196 O LYS A 13 -12.358 -35.776 -7.347 1.00 41.33 O ATOM 197 CB LYS A 13 -13.625 -35.262 -10.285 1.00 72.42 C ATOM 198 CG LYS A 13 -14.810 -35.991 -9.676 1.00 32.14 C ATOM 199 CD LYS A 13 -14.478 -37.443 -9.377 1.00 30.51 C ATOM 200 CE LYS A 13 -15.194 -38.387 -10.331 1.00 54.32 C ATOM 201 NZ LYS A 13 -16.458 -38.913 -9.746 1.00 34.31 N ATOM 0 H LYS A 13 -11.601 -33.756 -10.833 1.00 75.10 H new ATOM 0 HA LYS A 13 -13.529 -33.906 -8.619 1.00 31.43 H new ATOM 0 HB2 LYS A 13 -13.981 -34.610 -11.082 1.00 72.42 H new ATOM 0 HB3 LYS A 13 -12.958 -35.991 -10.744 1.00 72.42 H new ATOM 0 HG2 LYS A 13 -15.114 -35.490 -8.757 1.00 32.14 H new ATOM 0 HG3 LYS A 13 -15.658 -35.944 -10.360 1.00 32.14 H new ATOM 0 HD2 LYS A 13 -13.401 -37.594 -9.454 1.00 30.51 H new ATOM 0 HD3 LYS A 13 -14.761 -37.678 -8.351 1.00 30.51 H new ATOM 0 HE2 LYS A 13 -15.415 -37.864 -11.262 1.00 54.32 H new ATOM 0 HE3 LYS A 13 -14.536 -39.219 -10.581 1.00 54.32 H new ATOM 0 HZ1 LYS A 13 -16.916 -39.552 -10.427 1.00 34.31 H new ATOM 0 HZ2 LYS A 13 -16.245 -39.434 -8.871 1.00 34.31 H new ATOM 0 HZ3 LYS A 13 -17.097 -38.121 -9.531 1.00 34.31 H new ATOM 215 N GLU A 14 -10.752 -35.623 -8.917 1.00 34.41 N ATOM 216 CA GLU A 14 -9.818 -36.483 -8.200 1.00 63.02 C ATOM 217 C GLU A 14 -8.836 -35.653 -7.377 1.00 75.14 C ATOM 218 O GLU A 14 -7.743 -36.112 -7.049 1.00 71.21 O ATOM 219 CB GLU A 14 -9.052 -37.372 -9.182 1.00 72.23 C ATOM 220 CG GLU A 14 -9.953 -38.221 -10.064 1.00 22.10 C ATOM 221 CD GLU A 14 -10.217 -39.594 -9.477 1.00 61.24 C ATOM 222 OE1 GLU A 14 -9.948 -39.786 -8.273 1.00 13.32 O ATOM 223 OE2 GLU A 14 -10.692 -40.477 -10.222 1.00 44.22 O ATOM 0 H GLU A 14 -10.402 -35.270 -9.808 1.00 34.41 H new ATOM 0 HA GLU A 14 -10.392 -37.114 -7.522 1.00 63.02 H new ATOM 0 HB2 GLU A 14 -8.425 -36.744 -9.815 1.00 72.23 H new ATOM 0 HB3 GLU A 14 -8.384 -38.027 -8.622 1.00 72.23 H new ATOM 0 HG2 GLU A 14 -10.901 -37.705 -10.212 1.00 22.10 H new ATOM 0 HG3 GLU A 14 -9.494 -38.332 -11.046 1.00 22.10 H new ATOM 230 N GLU A 15 -9.236 -34.429 -7.049 1.00 14.51 N ATOM 231 CA GLU A 15 -8.392 -33.534 -6.266 1.00 63.20 C ATOM 232 C GLU A 15 -7.001 -33.419 -6.884 1.00 73.12 C ATOM 233 O GLU A 15 -5.991 -33.585 -6.201 1.00 51.51 O ATOM 234 CB GLU A 15 -8.281 -34.034 -4.824 1.00 1.51 C ATOM 235 CG GLU A 15 -9.580 -33.931 -4.043 1.00 11.12 C ATOM 236 CD GLU A 15 -10.529 -35.077 -4.335 1.00 23.30 C ATOM 237 OE1 GLU A 15 -10.043 -36.195 -4.606 1.00 33.42 O ATOM 238 OE2 GLU A 15 -11.757 -34.856 -4.292 1.00 51.43 O ATOM 0 H GLU A 15 -10.139 -34.034 -7.313 1.00 14.51 H new ATOM 0 HA GLU A 15 -8.854 -32.547 -6.267 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -7.954 -35.074 -4.833 1.00 1.51 H new ATOM 0 HB3 GLU A 15 -7.510 -33.462 -4.308 1.00 1.51 H new ATOM 0 HG2 GLU A 15 -9.357 -33.911 -2.976 1.00 11.12 H new ATOM 0 HG3 GLU A 15 -10.070 -32.988 -4.284 1.00 11.12 H new ATOM 245 N ALA A 16 -6.959 -33.135 -8.182 1.00 22.02 N ATOM 246 CA ALA A 16 -5.694 -32.996 -8.892 1.00 63.44 C ATOM 247 C ALA A 16 -5.527 -31.585 -9.446 1.00 60.54 C ATOM 248 O ALA A 16 -6.498 -30.951 -9.858 1.00 31.33 O ATOM 249 CB ALA A 16 -5.604 -34.020 -10.014 1.00 64.14 C ATOM 0 H ALA A 16 -7.786 -32.997 -8.762 1.00 22.02 H new ATOM 0 HA ALA A 16 -4.886 -33.177 -8.183 1.00 63.44 H new ATOM 0 HB1 ALA A 16 -4.654 -33.905 -10.536 1.00 64.14 H new ATOM 0 HB2 ALA A 16 -5.669 -35.025 -9.596 1.00 64.14 H new ATOM 0 HB3 ALA A 16 -6.424 -33.865 -10.715 1.00 64.14 H new ATOM 255 N ALA A 17 -4.290 -31.100 -9.453 1.00 41.32 N ATOM 256 CA ALA A 17 -3.996 -29.764 -9.958 1.00 34.21 C ATOM 257 C ALA A 17 -4.504 -29.593 -11.386 1.00 23.13 C ATOM 258 O ALA A 17 -3.905 -30.104 -12.332 1.00 74.35 O ATOM 259 CB ALA A 17 -2.501 -29.491 -9.891 1.00 31.43 C ATOM 0 H ALA A 17 -3.475 -31.612 -9.115 1.00 41.32 H new ATOM 0 HA ALA A 17 -4.514 -29.042 -9.327 1.00 34.21 H new ATOM 0 HB1 ALA A 17 -2.297 -28.490 -10.271 1.00 31.43 H new ATOM 0 HB2 ALA A 17 -2.164 -29.562 -8.857 1.00 31.43 H new ATOM 0 HB3 ALA A 17 -1.970 -30.225 -10.497 1.00 31.43 H new ATOM 265 N ARG A 18 -5.610 -28.872 -11.533 1.00 52.12 N ATOM 266 CA ARG A 18 -6.199 -28.635 -12.846 1.00 23.50 C ATOM 267 C ARG A 18 -5.551 -27.431 -13.523 1.00 70.33 C ATOM 268 O ARG A 18 -5.452 -27.376 -14.749 1.00 2.15 O ATOM 269 CB ARG A 18 -7.707 -28.413 -12.720 1.00 0.13 C ATOM 270 CG ARG A 18 -8.498 -28.905 -13.921 1.00 21.24 C ATOM 271 CD ARG A 18 -9.858 -29.446 -13.508 1.00 52.42 C ATOM 272 NE ARG A 18 -10.531 -30.131 -14.608 1.00 71.41 N ATOM 273 CZ ARG A 18 -11.840 -30.353 -14.645 1.00 54.30 C ATOM 274 NH1 ARG A 18 -12.613 -29.944 -13.648 1.00 55.15 N ATOM 275 NH2 ARG A 18 -12.379 -30.984 -15.681 1.00 1.34 N ATOM 0 H ARG A 18 -6.117 -28.442 -10.759 1.00 52.12 H new ATOM 0 HA ARG A 18 -6.019 -29.516 -13.462 1.00 23.50 H new ATOM 0 HB2 ARG A 18 -8.067 -28.922 -11.826 1.00 0.13 H new ATOM 0 HB3 ARG A 18 -7.899 -27.349 -12.581 1.00 0.13 H new ATOM 0 HG2 ARG A 18 -8.630 -28.088 -14.631 1.00 21.24 H new ATOM 0 HG3 ARG A 18 -7.935 -29.685 -14.434 1.00 21.24 H new ATOM 0 HD2 ARG A 18 -9.736 -30.135 -12.672 1.00 52.42 H new ATOM 0 HD3 ARG A 18 -10.483 -28.625 -13.155 1.00 52.42 H new ATOM 0 HE ARG A 18 -9.965 -30.457 -15.391 1.00 71.41 H new ATOM 0 HH11 ARG A 18 -12.203 -29.458 -12.851 1.00 55.15 H new ATOM 0 HH12 ARG A 18 -13.618 -30.116 -13.678 1.00 55.15 H new ATOM 0 HH21 ARG A 18 -11.788 -31.299 -16.450 1.00 1.34 H new ATOM 0 HH22 ARG A 18 -13.384 -31.154 -15.708 1.00 1.34 H new ATOM 289 N GLU A 19 -5.113 -26.470 -12.717 1.00 2.24 N ATOM 290 CA GLU A 19 -4.476 -25.266 -13.239 1.00 73.41 C ATOM 291 C GLU A 19 -3.815 -24.470 -12.118 1.00 23.32 C ATOM 292 O GLU A 19 -4.217 -24.561 -10.957 1.00 41.35 O ATOM 293 CB GLU A 19 -5.503 -24.393 -13.963 1.00 0.44 C ATOM 294 CG GLU A 19 -4.901 -23.160 -14.616 1.00 3.13 C ATOM 295 CD GLU A 19 -3.769 -23.498 -15.567 1.00 0.33 C ATOM 296 OE1 GLU A 19 -4.051 -24.030 -16.660 1.00 70.52 O ATOM 297 OE2 GLU A 19 -2.601 -23.228 -15.217 1.00 24.42 O ATOM 0 H GLU A 19 -5.187 -26.501 -11.700 1.00 2.24 H new ATOM 0 HA GLU A 19 -3.705 -25.571 -13.947 1.00 73.41 H new ATOM 0 HB2 GLU A 19 -6.002 -24.991 -14.726 1.00 0.44 H new ATOM 0 HB3 GLU A 19 -6.268 -24.081 -13.252 1.00 0.44 H new ATOM 0 HG2 GLU A 19 -5.679 -22.624 -15.159 1.00 3.13 H new ATOM 0 HG3 GLU A 19 -4.532 -22.487 -13.842 1.00 3.13 H new ATOM 304 N ILE A 20 -2.798 -23.692 -12.473 1.00 52.11 N ATOM 305 CA ILE A 20 -2.081 -22.880 -11.498 1.00 12.12 C ATOM 306 C ILE A 20 -1.769 -21.496 -12.058 1.00 33.23 C ATOM 307 O ILE A 20 -1.183 -21.368 -13.132 1.00 64.14 O ATOM 308 CB ILE A 20 -0.767 -23.553 -11.062 1.00 65.41 C ATOM 309 CG1 ILE A 20 -1.045 -24.948 -10.498 1.00 31.02 C ATOM 310 CG2 ILE A 20 -0.047 -22.694 -10.034 1.00 3.04 C ATOM 311 CD1 ILE A 20 0.208 -25.721 -10.151 1.00 60.02 C ATOM 0 H ILE A 20 -2.452 -23.607 -13.429 1.00 52.11 H new ATOM 0 HA ILE A 20 -2.733 -22.780 -10.631 1.00 12.12 H new ATOM 0 HB ILE A 20 -0.123 -23.657 -11.935 1.00 65.41 H new ATOM 0 HG12 ILE A 20 -1.663 -24.853 -9.605 1.00 31.02 H new ATOM 0 HG13 ILE A 20 -1.623 -25.517 -11.226 1.00 31.02 H new ATOM 0 HG21 ILE A 20 0.880 -23.184 -9.736 1.00 3.04 H new ATOM 0 HG22 ILE A 20 0.180 -21.720 -10.468 1.00 3.04 H new ATOM 0 HG23 ILE A 20 -0.685 -22.561 -9.160 1.00 3.04 H new ATOM 0 HD11 ILE A 20 -0.066 -26.700 -9.757 1.00 60.02 H new ATOM 0 HD12 ILE A 20 0.817 -25.847 -11.046 1.00 60.02 H new ATOM 0 HD13 ILE A 20 0.777 -25.174 -9.399 1.00 60.02 H new ATOM 323 N ARG A 21 -2.164 -20.463 -11.321 1.00 11.01 N ATOM 324 CA ARG A 21 -1.926 -19.088 -11.743 1.00 71.14 C ATOM 325 C ARG A 21 -1.714 -18.178 -10.537 1.00 45.23 C ATOM 326 O ARG A 21 -2.381 -18.322 -9.513 1.00 22.21 O ATOM 327 CB ARG A 21 -3.101 -18.578 -12.580 1.00 33.34 C ATOM 328 CG ARG A 21 -2.934 -18.813 -14.072 1.00 1.00 C ATOM 329 CD ARG A 21 -2.120 -17.705 -14.722 1.00 73.03 C ATOM 330 NE ARG A 21 -0.684 -17.943 -14.611 1.00 22.21 N ATOM 331 CZ ARG A 21 -0.018 -18.795 -15.383 1.00 30.13 C ATOM 332 NH1 ARG A 21 -0.656 -19.486 -16.317 1.00 51.35 N ATOM 333 NH2 ARG A 21 1.289 -18.957 -15.221 1.00 30.05 N ATOM 0 H ARG A 21 -2.650 -20.552 -10.429 1.00 11.01 H new ATOM 0 HA ARG A 21 -1.022 -19.073 -12.351 1.00 71.14 H new ATOM 0 HB2 ARG A 21 -4.015 -19.068 -12.244 1.00 33.34 H new ATOM 0 HB3 ARG A 21 -3.227 -17.510 -12.401 1.00 33.34 H new ATOM 0 HG2 ARG A 21 -2.443 -19.772 -14.238 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -3.915 -18.871 -14.544 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -2.394 -17.624 -15.774 1.00 73.03 H new ATOM 0 HD3 ARG A 21 -2.367 -16.752 -14.254 1.00 73.03 H new ATOM 0 HE ARG A 21 -0.163 -17.427 -13.902 1.00 22.21 H new ATOM 0 HH11 ARG A 21 -1.661 -19.364 -16.444 1.00 51.35 H new ATOM 0 HH12 ARG A 21 -0.142 -20.139 -16.908 1.00 51.35 H new ATOM 0 HH21 ARG A 21 1.783 -18.427 -14.503 1.00 30.05 H new ATOM 0 HH22 ARG A 21 1.799 -19.611 -15.814 1.00 30.05 H new ATOM 347 N ARG A 22 -0.780 -17.241 -10.667 1.00 23.12 N ATOM 348 CA ARG A 22 -0.478 -16.309 -9.587 1.00 41.33 C ATOM 349 C ARG A 22 -0.558 -14.866 -10.077 1.00 42.20 C ATOM 350 O ARG A 22 -0.407 -14.594 -11.268 1.00 73.24 O ATOM 351 CB ARG A 22 0.914 -16.589 -9.017 1.00 13.30 C ATOM 352 CG ARG A 22 2.023 -16.517 -10.054 1.00 74.41 C ATOM 353 CD ARG A 22 3.199 -17.403 -9.674 1.00 12.03 C ATOM 354 NE ARG A 22 4.234 -16.661 -8.960 1.00 44.30 N ATOM 355 CZ ARG A 22 5.456 -17.133 -8.739 1.00 3.54 C ATOM 356 NH1 ARG A 22 5.794 -18.339 -9.173 1.00 53.35 N ATOM 357 NH2 ARG A 22 6.344 -16.397 -8.081 1.00 53.02 N ATOM 0 H ARG A 22 -0.220 -17.107 -11.509 1.00 23.12 H new ATOM 0 HA ARG A 22 -1.220 -16.450 -8.801 1.00 41.33 H new ATOM 0 HB2 ARG A 22 1.123 -15.872 -8.223 1.00 13.30 H new ATOM 0 HB3 ARG A 22 0.918 -17.579 -8.561 1.00 13.30 H new ATOM 0 HG2 ARG A 22 1.635 -16.823 -11.025 1.00 74.41 H new ATOM 0 HG3 ARG A 22 2.361 -15.486 -10.156 1.00 74.41 H new ATOM 0 HD2 ARG A 22 2.847 -18.225 -9.051 1.00 12.03 H new ATOM 0 HD3 ARG A 22 3.626 -17.845 -10.574 1.00 12.03 H new ATOM 0 HE ARG A 22 4.006 -15.730 -8.612 1.00 44.30 H new ATOM 0 HH11 ARG A 22 5.115 -18.908 -9.679 1.00 53.35 H new ATOM 0 HH12 ARG A 22 6.733 -18.698 -9.001 1.00 53.35 H new ATOM 0 HH21 ARG A 22 6.088 -15.469 -7.745 1.00 53.02 H new ATOM 0 HH22 ARG A 22 7.282 -16.760 -7.912 1.00 53.02 H new ATOM 371 N PHE A 23 -0.796 -13.944 -9.150 1.00 32.11 N ATOM 372 CA PHE A 23 -0.898 -12.529 -9.487 1.00 2.00 C ATOM 373 C PHE A 23 -0.531 -11.657 -8.290 1.00 0.03 C ATOM 374 O PHE A 23 -0.537 -12.117 -7.148 1.00 61.00 O ATOM 375 CB PHE A 23 -2.314 -12.196 -9.960 1.00 13.11 C ATOM 376 CG PHE A 23 -3.372 -12.486 -8.934 1.00 54.01 C ATOM 377 CD1 PHE A 23 -3.735 -11.526 -8.003 1.00 73.02 C ATOM 378 CD2 PHE A 23 -4.004 -13.719 -8.900 1.00 42.14 C ATOM 379 CE1 PHE A 23 -4.709 -11.790 -7.058 1.00 41.51 C ATOM 380 CE2 PHE A 23 -4.978 -13.988 -7.958 1.00 13.00 C ATOM 381 CZ PHE A 23 -5.330 -13.023 -7.035 1.00 14.41 C ATOM 0 H PHE A 23 -0.922 -14.152 -8.159 1.00 32.11 H new ATOM 0 HA PHE A 23 -0.195 -12.322 -10.294 1.00 2.00 H new ATOM 0 HB2 PHE A 23 -2.360 -11.141 -10.229 1.00 13.11 H new ATOM 0 HB3 PHE A 23 -2.530 -12.765 -10.864 1.00 13.11 H new ATOM 0 HD1 PHE A 23 -3.251 -10.560 -8.016 1.00 73.02 H new ATOM 0 HD2 PHE A 23 -3.732 -14.478 -9.618 1.00 42.14 H new ATOM 0 HE1 PHE A 23 -4.984 -11.033 -6.339 1.00 41.51 H new ATOM 0 HE2 PHE A 23 -5.464 -14.952 -7.943 1.00 13.00 H new ATOM 0 HZ PHE A 23 -6.090 -13.232 -6.296 1.00 14.41 H new ATOM 391 N SER A 24 -0.211 -10.395 -8.560 1.00 34.31 N ATOM 392 CA SER A 24 0.163 -9.459 -7.506 1.00 74.14 C ATOM 393 C SER A 24 -1.074 -8.923 -6.792 1.00 31.24 C ATOM 394 O SER A 24 -1.937 -8.295 -7.406 1.00 20.33 O ATOM 395 CB SER A 24 0.971 -8.299 -8.090 1.00 4.24 C ATOM 396 OG SER A 24 2.361 -8.577 -8.053 1.00 54.54 O ATOM 0 H SER A 24 -0.203 -9.998 -9.499 1.00 34.31 H new ATOM 0 HA SER A 24 0.777 -9.992 -6.781 1.00 74.14 H new ATOM 0 HB2 SER A 24 0.660 -8.117 -9.119 1.00 4.24 H new ATOM 0 HB3 SER A 24 0.764 -7.388 -7.528 1.00 4.24 H new ATOM 0 HG SER A 24 2.856 -7.821 -8.433 1.00 54.54 H new ATOM 402 N PHE A 25 -1.153 -9.176 -5.489 1.00 51.14 N ATOM 403 CA PHE A 25 -2.284 -8.720 -4.689 1.00 72.55 C ATOM 404 C PHE A 25 -1.855 -7.629 -3.713 1.00 54.13 C ATOM 405 O PHE A 25 -0.730 -7.636 -3.213 1.00 11.04 O ATOM 406 CB PHE A 25 -2.899 -9.893 -3.923 1.00 20.22 C ATOM 407 CG PHE A 25 -4.088 -9.507 -3.090 1.00 23.53 C ATOM 408 CD1 PHE A 25 -5.274 -9.118 -3.690 1.00 51.32 C ATOM 409 CD2 PHE A 25 -4.019 -9.535 -1.706 1.00 71.11 C ATOM 410 CE1 PHE A 25 -6.369 -8.762 -2.926 1.00 10.51 C ATOM 411 CE2 PHE A 25 -5.111 -9.180 -0.936 1.00 71.45 C ATOM 412 CZ PHE A 25 -6.288 -8.794 -1.547 1.00 61.14 C ATOM 0 H PHE A 25 -0.447 -9.694 -4.965 1.00 51.14 H new ATOM 0 HA PHE A 25 -3.031 -8.304 -5.365 1.00 72.55 H new ATOM 0 HB2 PHE A 25 -3.198 -10.664 -4.633 1.00 20.22 H new ATOM 0 HB3 PHE A 25 -2.140 -10.333 -3.276 1.00 20.22 H new ATOM 0 HD1 PHE A 25 -5.344 -9.093 -4.767 1.00 51.32 H new ATOM 0 HD2 PHE A 25 -3.101 -9.838 -1.223 1.00 71.11 H new ATOM 0 HE1 PHE A 25 -7.288 -8.459 -3.406 1.00 10.51 H new ATOM 0 HE2 PHE A 25 -5.044 -9.204 0.142 1.00 71.45 H new ATOM 0 HZ PHE A 25 -7.143 -8.518 -0.948 1.00 61.14 H new ATOM 422 N CYS A 26 -2.759 -6.692 -3.448 1.00 74.53 N ATOM 423 CA CYS A 26 -2.475 -5.593 -2.533 1.00 54.42 C ATOM 424 C CYS A 26 -2.594 -6.048 -1.082 1.00 60.04 C ATOM 425 O CYS A 26 -3.531 -6.759 -0.718 1.00 52.43 O ATOM 426 CB CYS A 26 -3.429 -4.426 -2.794 1.00 11.23 C ATOM 427 SG CYS A 26 -2.771 -3.171 -3.918 1.00 31.44 S ATOM 0 H CYS A 26 -3.695 -6.672 -3.854 1.00 74.53 H new ATOM 0 HA CYS A 26 -1.451 -5.263 -2.708 1.00 54.42 H new ATOM 0 HB2 CYS A 26 -4.359 -4.817 -3.207 1.00 11.23 H new ATOM 0 HB3 CYS A 26 -3.676 -3.953 -1.843 1.00 11.23 H new ATOM 0 HG CYS A 26 -3.651 -2.227 -4.078 1.00 31.44 H new ATOM 433 N PHE A 27 -1.637 -5.635 -0.258 1.00 63.51 N ATOM 434 CA PHE A 27 -1.632 -6.003 1.153 1.00 31.20 C ATOM 435 C PHE A 27 -2.591 -5.122 1.948 1.00 74.02 C ATOM 436 O PHE A 27 -2.772 -5.311 3.151 1.00 53.43 O ATOM 437 CB PHE A 27 -0.219 -5.886 1.728 1.00 41.22 C ATOM 438 CG PHE A 27 -0.041 -6.607 3.033 1.00 62.50 C ATOM 439 CD1 PHE A 27 -0.436 -7.929 3.169 1.00 43.43 C ATOM 440 CD2 PHE A 27 0.522 -5.965 4.124 1.00 40.11 C ATOM 441 CE1 PHE A 27 -0.274 -8.595 4.369 1.00 44.41 C ATOM 442 CE2 PHE A 27 0.687 -6.626 5.327 1.00 40.05 C ATOM 443 CZ PHE A 27 0.290 -7.943 5.449 1.00 55.03 C ATOM 0 H PHE A 27 -0.855 -5.045 -0.543 1.00 63.51 H new ATOM 0 HA PHE A 27 -1.965 -7.038 1.234 1.00 31.20 H new ATOM 0 HB2 PHE A 27 0.493 -6.281 1.004 1.00 41.22 H new ATOM 0 HB3 PHE A 27 0.021 -4.832 1.869 1.00 41.22 H new ATOM 0 HD1 PHE A 27 -0.875 -8.444 2.328 1.00 43.43 H new ATOM 0 HD2 PHE A 27 0.836 -4.936 4.034 1.00 40.11 H new ATOM 0 HE1 PHE A 27 -0.588 -9.624 4.463 1.00 44.41 H new ATOM 0 HE2 PHE A 27 1.126 -6.113 6.170 1.00 40.05 H new ATOM 0 HZ PHE A 27 0.420 -8.463 6.387 1.00 55.03 H new ATOM 453 N SER A 28 -3.203 -4.159 1.266 1.00 11.32 N ATOM 454 CA SER A 28 -4.141 -3.245 1.908 1.00 4.14 C ATOM 455 C SER A 28 -5.315 -4.008 2.513 1.00 20.15 C ATOM 456 O SER A 28 -5.598 -5.151 2.153 1.00 4.10 O ATOM 457 CB SER A 28 -4.653 -2.214 0.900 1.00 24.33 C ATOM 458 OG SER A 28 -3.850 -1.047 0.912 1.00 4.32 O ATOM 0 H SER A 28 -3.066 -3.991 0.269 1.00 11.32 H new ATOM 0 HA SER A 28 -3.614 -2.728 2.710 1.00 4.14 H new ATOM 0 HB2 SER A 28 -4.654 -2.648 -0.100 1.00 24.33 H new ATOM 0 HB3 SER A 28 -5.685 -1.952 1.135 1.00 24.33 H new ATOM 0 HG SER A 28 -4.197 -0.405 0.258 1.00 4.32 H new ATOM 464 N PRO A 29 -6.016 -3.362 3.457 1.00 55.04 N ATOM 465 CA PRO A 29 -7.172 -3.960 4.132 1.00 10.52 C ATOM 466 C PRO A 29 -8.372 -4.110 3.204 1.00 73.31 C ATOM 467 O PRO A 29 -9.006 -5.164 3.160 1.00 24.44 O ATOM 468 CB PRO A 29 -7.483 -2.962 5.251 1.00 33.52 C ATOM 469 CG PRO A 29 -6.948 -1.662 4.759 1.00 31.05 C ATOM 470 CD PRO A 29 -5.736 -1.998 3.936 1.00 60.15 C ATOM 0 HA PRO A 29 -6.960 -4.969 4.487 1.00 10.52 H new ATOM 0 HB2 PRO A 29 -8.555 -2.902 5.442 1.00 33.52 H new ATOM 0 HB3 PRO A 29 -7.009 -3.256 6.187 1.00 33.52 H new ATOM 0 HG2 PRO A 29 -7.692 -1.135 4.161 1.00 31.05 H new ATOM 0 HG3 PRO A 29 -6.686 -1.008 5.591 1.00 31.05 H new ATOM 0 HD2 PRO A 29 -5.606 -1.300 3.109 1.00 60.15 H new ATOM 0 HD3 PRO A 29 -4.823 -1.960 4.531 1.00 60.15 H new ATOM 478 N GLU A 30 -8.679 -3.050 2.463 1.00 4.21 N ATOM 479 CA GLU A 30 -9.804 -3.066 1.536 1.00 41.12 C ATOM 480 C GLU A 30 -9.538 -2.153 0.342 1.00 33.11 C ATOM 481 O GLU A 30 -8.777 -1.189 0.423 1.00 14.42 O ATOM 482 CB GLU A 30 -11.087 -2.632 2.248 1.00 23.02 C ATOM 483 CG GLU A 30 -11.444 -3.502 3.442 1.00 40.41 C ATOM 484 CD GLU A 30 -12.678 -3.010 4.173 1.00 31.11 C ATOM 485 OE1 GLU A 30 -13.799 -3.307 3.709 1.00 12.23 O ATOM 486 OE2 GLU A 30 -12.523 -2.329 5.208 1.00 33.11 O ATOM 0 H GLU A 30 -8.164 -2.170 2.487 1.00 4.21 H new ATOM 0 HA GLU A 30 -9.927 -4.086 1.172 1.00 41.12 H new ATOM 0 HB2 GLU A 30 -10.977 -1.600 2.581 1.00 23.02 H new ATOM 0 HB3 GLU A 30 -11.912 -2.651 1.536 1.00 23.02 H new ATOM 0 HG2 GLU A 30 -11.610 -4.525 3.105 1.00 40.41 H new ATOM 0 HG3 GLU A 30 -10.602 -3.527 4.134 1.00 40.41 H new ATOM 493 N PRO A 31 -10.180 -2.464 -0.794 1.00 41.11 N ATOM 494 CA PRO A 31 -10.029 -1.685 -2.027 1.00 14.23 C ATOM 495 C PRO A 31 -10.675 -0.307 -1.924 1.00 23.10 C ATOM 496 O PRO A 31 -10.067 0.701 -2.282 1.00 64.22 O ATOM 497 CB PRO A 31 -10.750 -2.536 -3.075 1.00 34.23 C ATOM 498 CG PRO A 31 -11.740 -3.335 -2.298 1.00 41.25 C ATOM 499 CD PRO A 31 -11.102 -3.600 -0.963 1.00 1.42 C ATOM 0 HA PRO A 31 -8.982 -1.492 -2.262 1.00 14.23 H new ATOM 0 HB2 PRO A 31 -11.243 -1.912 -3.821 1.00 34.23 H new ATOM 0 HB3 PRO A 31 -10.053 -3.181 -3.609 1.00 34.23 H new ATOM 0 HG2 PRO A 31 -12.676 -2.789 -2.182 1.00 41.25 H new ATOM 0 HG3 PRO A 31 -11.976 -4.268 -2.810 1.00 41.25 H new ATOM 0 HD2 PRO A 31 -11.843 -3.639 -0.164 1.00 1.42 H new ATOM 0 HD3 PRO A 31 -10.572 -4.553 -0.953 1.00 1.42 H new ATOM 507 N GLU A 32 -11.909 -0.272 -1.432 1.00 53.02 N ATOM 508 CA GLU A 32 -12.636 0.983 -1.283 1.00 51.43 C ATOM 509 C GLU A 32 -13.304 1.066 0.086 1.00 11.23 C ATOM 510 O GLU A 32 -13.435 0.063 0.786 1.00 21.34 O ATOM 511 CB GLU A 32 -13.688 1.123 -2.385 1.00 54.04 C ATOM 512 CG GLU A 32 -14.146 2.554 -2.613 1.00 4.15 C ATOM 513 CD GLU A 32 -12.989 3.505 -2.850 1.00 42.41 C ATOM 514 OE1 GLU A 32 -11.961 3.063 -3.404 1.00 4.44 O ATOM 515 OE2 GLU A 32 -13.113 4.692 -2.482 1.00 43.53 O ATOM 0 H GLU A 32 -12.426 -1.098 -1.130 1.00 53.02 H new ATOM 0 HA GLU A 32 -11.920 1.800 -1.369 1.00 51.43 H new ATOM 0 HB2 GLU A 32 -13.281 0.728 -3.316 1.00 54.04 H new ATOM 0 HB3 GLU A 32 -14.553 0.510 -2.130 1.00 54.04 H new ATOM 0 HG2 GLU A 32 -14.818 2.584 -3.471 1.00 4.15 H new ATOM 0 HG3 GLU A 32 -14.717 2.891 -1.748 1.00 4.15 H new ATOM 522 N ALA A 33 -13.724 2.270 0.461 1.00 32.13 N ATOM 523 CA ALA A 33 -14.380 2.484 1.745 1.00 3.54 C ATOM 524 C ALA A 33 -15.859 2.806 1.560 1.00 44.51 C ATOM 525 O ALA A 33 -16.703 2.349 2.329 1.00 74.14 O ATOM 526 CB ALA A 33 -13.686 3.601 2.512 1.00 54.22 C ATOM 0 H ALA A 33 -13.622 3.112 -0.106 1.00 32.13 H new ATOM 0 HA ALA A 33 -14.306 1.562 2.321 1.00 3.54 H new ATOM 0 HB1 ALA A 33 -14.186 3.750 3.469 1.00 54.22 H new ATOM 0 HB2 ALA A 33 -12.644 3.331 2.685 1.00 54.22 H new ATOM 0 HB3 ALA A 33 -13.730 4.523 1.932 1.00 54.22 H new ATOM 532 N GLU A 34 -16.164 3.597 0.536 1.00 45.15 N ATOM 533 CA GLU A 34 -17.541 3.981 0.251 1.00 33.13 C ATOM 534 C GLU A 34 -18.238 2.920 -0.597 1.00 4.43 C ATOM 535 O GLU A 34 -19.229 2.326 -0.175 1.00 52.11 O ATOM 536 CB GLU A 34 -17.580 5.331 -0.468 1.00 30.03 C ATOM 537 CG GLU A 34 -17.803 6.511 0.464 1.00 64.51 C ATOM 538 CD GLU A 34 -19.051 6.358 1.310 1.00 34.25 C ATOM 539 OE1 GLU A 34 -20.130 6.797 0.860 1.00 51.31 O ATOM 540 OE2 GLU A 34 -18.950 5.800 2.423 1.00 73.53 O ATOM 0 H GLU A 34 -15.476 3.984 -0.110 1.00 45.15 H new ATOM 0 HA GLU A 34 -18.070 4.068 1.200 1.00 33.13 H new ATOM 0 HB2 GLU A 34 -16.642 5.475 -1.004 1.00 30.03 H new ATOM 0 HB3 GLU A 34 -18.374 5.313 -1.214 1.00 30.03 H new ATOM 0 HG2 GLU A 34 -16.937 6.622 1.117 1.00 64.51 H new ATOM 0 HG3 GLU A 34 -17.878 7.425 -0.125 1.00 64.51 H new ATOM 547 N ALA A 35 -17.711 2.690 -1.795 1.00 23.42 N ATOM 548 CA ALA A 35 -18.280 1.701 -2.702 1.00 23.30 C ATOM 549 C ALA A 35 -18.452 0.354 -2.008 1.00 23.21 C ATOM 550 O ALA A 35 -19.516 -0.260 -2.079 1.00 21.04 O ATOM 551 CB ALA A 35 -17.404 1.552 -3.937 1.00 50.13 C ATOM 0 H ALA A 35 -16.891 3.175 -2.160 1.00 23.42 H new ATOM 0 HA ALA A 35 -19.266 2.051 -3.009 1.00 23.30 H new ATOM 0 HB1 ALA A 35 -17.841 0.810 -4.606 1.00 50.13 H new ATOM 0 HB2 ALA A 35 -17.336 2.510 -4.453 1.00 50.13 H new ATOM 0 HB3 ALA A 35 -16.407 1.229 -3.639 1.00 50.13 H new ATOM 557 N ALA A 36 -17.397 -0.100 -1.338 1.00 74.42 N ATOM 558 CA ALA A 36 -17.433 -1.374 -0.630 1.00 62.14 C ATOM 559 C ALA A 36 -18.640 -1.453 0.298 1.00 72.03 C ATOM 560 O ALA A 36 -18.814 -0.611 1.178 1.00 31.23 O ATOM 561 CB ALA A 36 -16.146 -1.577 0.156 1.00 51.11 C ATOM 0 H ALA A 36 -16.508 0.395 -1.271 1.00 74.42 H new ATOM 0 HA ALA A 36 -17.524 -2.170 -1.369 1.00 62.14 H new ATOM 0 HB1 ALA A 36 -16.186 -2.532 0.680 1.00 51.11 H new ATOM 0 HB2 ALA A 36 -15.297 -1.574 -0.528 1.00 51.11 H new ATOM 0 HB3 ALA A 36 -16.031 -0.771 0.880 1.00 51.11 H new ATOM 567 N ALA A 37 -19.472 -2.469 0.094 1.00 60.32 N ATOM 568 CA ALA A 37 -20.662 -2.658 0.913 1.00 34.44 C ATOM 569 C ALA A 37 -20.455 -3.772 1.935 1.00 44.53 C ATOM 570 O ALA A 37 -21.314 -4.634 2.111 1.00 12.45 O ATOM 571 CB ALA A 37 -21.866 -2.964 0.034 1.00 64.42 C ATOM 0 H ALA A 37 -19.343 -3.174 -0.632 1.00 60.32 H new ATOM 0 HA ALA A 37 -20.848 -1.732 1.456 1.00 34.44 H new ATOM 0 HB1 ALA A 37 -22.748 -3.103 0.660 1.00 64.42 H new ATOM 0 HB2 ALA A 37 -22.035 -2.135 -0.653 1.00 64.42 H new ATOM 0 HB3 ALA A 37 -21.679 -3.874 -0.536 1.00 64.42 H new ATOM 577 N GLY A 38 -19.306 -3.747 2.605 1.00 54.10 N ATOM 578 CA GLY A 38 -19.006 -4.760 3.600 1.00 53.02 C ATOM 579 C GLY A 38 -17.652 -5.404 3.381 1.00 5.34 C ATOM 580 O GLY A 38 -16.684 -5.120 4.089 1.00 75.42 O ATOM 0 H GLY A 38 -18.579 -3.044 2.476 1.00 54.10 H new ATOM 0 HA2 GLY A 38 -19.035 -4.310 4.592 1.00 53.02 H new ATOM 0 HA3 GLY A 38 -19.779 -5.528 3.576 1.00 53.02 H new ATOM 584 N PRO A 39 -17.569 -6.294 2.382 1.00 73.14 N ATOM 585 CA PRO A 39 -16.328 -6.999 2.050 1.00 62.33 C ATOM 586 C PRO A 39 -15.280 -6.073 1.442 1.00 23.22 C ATOM 587 O PRO A 39 -15.448 -4.855 1.427 1.00 50.31 O ATOM 588 CB PRO A 39 -16.776 -8.044 1.025 1.00 35.21 C ATOM 589 CG PRO A 39 -18.006 -7.469 0.411 1.00 44.24 C ATOM 590 CD PRO A 39 -18.682 -6.680 1.498 1.00 60.42 C ATOM 0 HA PRO A 39 -15.853 -7.425 2.934 1.00 62.33 H new ATOM 0 HB2 PRO A 39 -16.004 -8.220 0.276 1.00 35.21 H new ATOM 0 HB3 PRO A 39 -16.982 -9.003 1.501 1.00 35.21 H new ATOM 0 HG2 PRO A 39 -17.757 -6.831 -0.437 1.00 44.24 H new ATOM 0 HG3 PRO A 39 -18.660 -8.257 0.036 1.00 44.24 H new ATOM 0 HD2 PRO A 39 -19.199 -5.808 1.099 1.00 60.42 H new ATOM 0 HD3 PRO A 39 -19.425 -7.278 2.025 1.00 60.42 H new ATOM 598 N GLY A 40 -14.197 -6.660 0.941 1.00 22.22 N ATOM 599 CA GLY A 40 -13.137 -5.872 0.339 1.00 75.21 C ATOM 600 C GLY A 40 -12.057 -6.733 -0.285 1.00 32.43 C ATOM 601 O GLY A 40 -11.975 -6.877 -1.505 1.00 30.03 O ATOM 0 H GLY A 40 -14.035 -7.667 0.941 1.00 22.22 H new ATOM 0 HA2 GLY A 40 -13.562 -5.219 -0.423 1.00 75.21 H new ATOM 0 HA3 GLY A 40 -12.691 -5.229 1.098 1.00 75.21 H new ATOM 605 N PRO A 41 -11.202 -7.323 0.564 1.00 71.53 N ATOM 606 CA PRO A 41 -10.105 -8.184 0.111 1.00 72.10 C ATOM 607 C PRO A 41 -10.604 -9.507 -0.460 1.00 52.14 C ATOM 608 O PRO A 41 -10.191 -9.921 -1.544 1.00 41.13 O ATOM 609 CB PRO A 41 -9.294 -8.425 1.386 1.00 3.24 C ATOM 610 CG PRO A 41 -10.271 -8.247 2.497 1.00 51.15 C ATOM 611 CD PRO A 41 -11.241 -7.196 2.030 1.00 23.42 C ATOM 0 HA PRO A 41 -9.533 -7.724 -0.695 1.00 72.10 H new ATOM 0 HB2 PRO A 41 -8.861 -9.425 1.396 1.00 3.24 H new ATOM 0 HB3 PRO A 41 -8.468 -7.719 1.469 1.00 3.24 H new ATOM 0 HG2 PRO A 41 -10.785 -9.182 2.718 1.00 51.15 H new ATOM 0 HG3 PRO A 41 -9.768 -7.935 3.413 1.00 51.15 H new ATOM 0 HD2 PRO A 41 -12.243 -7.371 2.422 1.00 23.42 H new ATOM 0 HD3 PRO A 41 -10.941 -6.200 2.355 1.00 23.42 H new ATOM 619 N CYS A 42 -11.494 -10.165 0.274 1.00 50.00 N ATOM 620 CA CYS A 42 -12.049 -11.442 -0.160 1.00 73.02 C ATOM 621 C CYS A 42 -12.716 -11.309 -1.526 1.00 0.14 C ATOM 622 O CYS A 42 -12.368 -12.019 -2.468 1.00 70.12 O ATOM 623 CB CYS A 42 -13.059 -11.958 0.866 1.00 53.12 C ATOM 624 SG CYS A 42 -13.952 -13.440 0.342 1.00 74.13 S ATOM 0 H CYS A 42 -11.847 -9.835 1.172 1.00 50.00 H new ATOM 0 HA CYS A 42 -11.230 -12.156 -0.244 1.00 73.02 H new ATOM 0 HB2 CYS A 42 -12.536 -12.172 1.798 1.00 53.12 H new ATOM 0 HB3 CYS A 42 -13.780 -11.169 1.079 1.00 53.12 H new ATOM 0 HG CYS A 42 -15.197 -13.348 0.706 1.00 74.13 H new ATOM 630 N GLU A 43 -13.677 -10.395 -1.623 1.00 22.33 N ATOM 631 CA GLU A 43 -14.394 -10.172 -2.873 1.00 3.44 C ATOM 632 C GLU A 43 -13.429 -9.796 -3.993 1.00 41.45 C ATOM 633 O GLU A 43 -13.707 -10.027 -5.170 1.00 72.22 O ATOM 634 CB GLU A 43 -15.441 -9.070 -2.696 1.00 32.44 C ATOM 635 CG GLU A 43 -16.081 -8.624 -3.999 1.00 74.03 C ATOM 636 CD GLU A 43 -17.261 -7.696 -3.782 1.00 61.03 C ATOM 637 OE1 GLU A 43 -18.342 -8.189 -3.397 1.00 65.15 O ATOM 638 OE2 GLU A 43 -17.102 -6.476 -3.997 1.00 54.04 O ATOM 0 H GLU A 43 -13.976 -9.798 -0.852 1.00 22.33 H new ATOM 0 HA GLU A 43 -14.896 -11.100 -3.145 1.00 3.44 H new ATOM 0 HB2 GLU A 43 -16.220 -9.425 -2.021 1.00 32.44 H new ATOM 0 HB3 GLU A 43 -14.973 -8.210 -2.218 1.00 32.44 H new ATOM 0 HG2 GLU A 43 -15.334 -8.119 -4.612 1.00 74.03 H new ATOM 0 HG3 GLU A 43 -16.411 -9.501 -4.556 1.00 74.03 H new ATOM 645 N ARG A 44 -12.294 -9.214 -3.619 1.00 52.31 N ATOM 646 CA ARG A 44 -11.289 -8.804 -4.592 1.00 3.41 C ATOM 647 C ARG A 44 -10.464 -10.000 -5.058 1.00 4.51 C ATOM 648 O ARG A 44 -9.990 -10.036 -6.194 1.00 43.43 O ATOM 649 CB ARG A 44 -10.369 -7.740 -3.989 1.00 53.22 C ATOM 650 CG ARG A 44 -10.830 -6.316 -4.254 1.00 43.34 C ATOM 651 CD ARG A 44 -10.179 -5.744 -5.504 1.00 53.42 C ATOM 652 NE ARG A 44 -10.922 -6.087 -6.714 1.00 21.21 N ATOM 653 CZ ARG A 44 -12.070 -5.515 -7.059 1.00 43.52 C ATOM 654 NH1 ARG A 44 -12.603 -4.575 -6.291 1.00 32.13 N ATOM 655 NH2 ARG A 44 -12.686 -5.881 -8.176 1.00 21.13 N ATOM 0 H ARG A 44 -12.048 -9.016 -2.649 1.00 52.31 H new ATOM 0 HA ARG A 44 -11.805 -8.382 -5.454 1.00 3.41 H new ATOM 0 HB2 ARG A 44 -10.302 -7.897 -2.912 1.00 53.22 H new ATOM 0 HB3 ARG A 44 -9.365 -7.869 -4.393 1.00 53.22 H new ATOM 0 HG2 ARG A 44 -11.914 -6.298 -4.366 1.00 43.34 H new ATOM 0 HG3 ARG A 44 -10.588 -5.688 -3.396 1.00 43.34 H new ATOM 0 HD2 ARG A 44 -10.113 -4.660 -5.414 1.00 53.42 H new ATOM 0 HD3 ARG A 44 -9.159 -6.120 -5.586 1.00 53.42 H new ATOM 0 HE ARG A 44 -10.538 -6.805 -7.328 1.00 21.21 H new ATOM 0 HH11 ARG A 44 -12.131 -4.289 -5.433 1.00 32.13 H new ATOM 0 HH12 ARG A 44 -13.485 -4.137 -6.558 1.00 32.13 H new ATOM 0 HH21 ARG A 44 -12.278 -6.602 -8.771 1.00 21.13 H new ATOM 0 HH22 ARG A 44 -13.568 -5.441 -8.440 1.00 21.13 H new ATOM 669 N LEU A 45 -10.295 -10.976 -4.173 1.00 71.13 N ATOM 670 CA LEU A 45 -9.527 -12.174 -4.493 1.00 64.13 C ATOM 671 C LEU A 45 -10.372 -13.169 -5.282 1.00 50.34 C ATOM 672 O LEU A 45 -9.963 -13.643 -6.343 1.00 73.02 O ATOM 673 CB LEU A 45 -9.010 -12.830 -3.211 1.00 75.35 C ATOM 674 CG LEU A 45 -8.531 -14.276 -3.344 1.00 31.23 C ATOM 675 CD1 LEU A 45 -7.459 -14.387 -4.416 1.00 62.15 C ATOM 676 CD2 LEU A 45 -8.008 -14.789 -2.010 1.00 14.13 C ATOM 0 H LEU A 45 -10.679 -10.961 -3.228 1.00 71.13 H new ATOM 0 HA LEU A 45 -8.679 -11.877 -5.110 1.00 64.13 H new ATOM 0 HB2 LEU A 45 -8.186 -12.229 -2.826 1.00 75.35 H new ATOM 0 HB3 LEU A 45 -9.804 -12.798 -2.465 1.00 75.35 H new ATOM 0 HG LEU A 45 -9.379 -14.893 -3.642 1.00 31.23 H new ATOM 0 HD11 LEU A 45 -7.130 -15.423 -4.496 1.00 62.15 H new ATOM 0 HD12 LEU A 45 -7.866 -14.060 -5.373 1.00 62.15 H new ATOM 0 HD13 LEU A 45 -6.611 -13.757 -4.149 1.00 62.15 H new ATOM 0 HD21 LEU A 45 -7.671 -15.820 -2.123 1.00 14.13 H new ATOM 0 HD22 LEU A 45 -7.174 -14.168 -1.683 1.00 14.13 H new ATOM 0 HD23 LEU A 45 -8.804 -14.747 -1.267 1.00 14.13 H new ATOM 688 N LEU A 46 -11.553 -13.479 -4.759 1.00 51.04 N ATOM 689 CA LEU A 46 -12.458 -14.416 -5.416 1.00 13.20 C ATOM 690 C LEU A 46 -12.783 -13.956 -6.834 1.00 20.33 C ATOM 691 O LEU A 46 -13.166 -14.759 -7.685 1.00 24.01 O ATOM 692 CB LEU A 46 -13.748 -14.561 -4.607 1.00 32.22 C ATOM 693 CG LEU A 46 -13.704 -15.557 -3.447 1.00 14.31 C ATOM 694 CD1 LEU A 46 -13.544 -16.976 -3.968 1.00 31.52 C ATOM 695 CD2 LEU A 46 -12.576 -15.208 -2.487 1.00 61.14 C ATOM 0 H LEU A 46 -11.906 -13.096 -3.882 1.00 51.04 H new ATOM 0 HA LEU A 46 -11.961 -15.384 -5.473 1.00 13.20 H new ATOM 0 HB2 LEU A 46 -14.016 -13.582 -4.209 1.00 32.22 H new ATOM 0 HB3 LEU A 46 -14.547 -14.859 -5.286 1.00 32.22 H new ATOM 0 HG LEU A 46 -14.647 -15.496 -2.904 1.00 14.31 H new ATOM 0 HD11 LEU A 46 -13.515 -17.671 -3.129 1.00 31.52 H new ATOM 0 HD12 LEU A 46 -14.386 -17.223 -4.614 1.00 31.52 H new ATOM 0 HD13 LEU A 46 -12.616 -17.053 -4.535 1.00 31.52 H new ATOM 0 HD21 LEU A 46 -12.560 -15.927 -1.668 1.00 61.14 H new ATOM 0 HD22 LEU A 46 -11.624 -15.240 -3.017 1.00 61.14 H new ATOM 0 HD23 LEU A 46 -12.735 -14.206 -2.087 1.00 61.14 H new ATOM 707 N SER A 47 -12.626 -12.660 -7.081 1.00 3.33 N ATOM 708 CA SER A 47 -12.904 -12.093 -8.395 1.00 44.31 C ATOM 709 C SER A 47 -11.862 -12.546 -9.414 1.00 32.24 C ATOM 710 O SER A 47 -12.199 -12.930 -10.534 1.00 14.51 O ATOM 711 CB SER A 47 -12.928 -10.565 -8.320 1.00 14.10 C ATOM 712 OG SER A 47 -14.241 -10.066 -8.511 1.00 60.12 O ATOM 0 H SER A 47 -12.308 -11.982 -6.388 1.00 3.33 H new ATOM 0 HA SER A 47 -13.882 -12.450 -8.717 1.00 44.31 H new ATOM 0 HB2 SER A 47 -12.549 -10.239 -7.351 1.00 14.10 H new ATOM 0 HB3 SER A 47 -12.264 -10.150 -9.078 1.00 14.10 H new ATOM 0 HG SER A 47 -14.230 -9.088 -8.457 1.00 60.12 H new ATOM 718 N ARG A 48 -10.595 -12.499 -9.016 1.00 20.43 N ATOM 719 CA ARG A 48 -9.503 -12.904 -9.893 1.00 52.21 C ATOM 720 C ARG A 48 -9.547 -14.406 -10.159 1.00 11.22 C ATOM 721 O ARG A 48 -9.505 -14.845 -11.308 1.00 24.20 O ATOM 722 CB ARG A 48 -8.156 -12.524 -9.275 1.00 54.52 C ATOM 723 CG ARG A 48 -8.138 -11.132 -8.665 1.00 4.41 C ATOM 724 CD ARG A 48 -8.593 -10.079 -9.664 1.00 23.22 C ATOM 725 NE ARG A 48 -7.703 -10.000 -10.819 1.00 5.32 N ATOM 726 CZ ARG A 48 -6.514 -9.407 -10.791 1.00 51.13 C ATOM 727 NH1 ARG A 48 -6.076 -8.845 -9.673 1.00 65.23 N ATOM 728 NH2 ARG A 48 -5.761 -9.376 -11.884 1.00 15.43 N ATOM 0 H ARG A 48 -10.299 -12.184 -8.092 1.00 20.43 H new ATOM 0 HA ARG A 48 -9.620 -12.381 -10.842 1.00 52.21 H new ATOM 0 HB2 ARG A 48 -7.900 -13.252 -8.505 1.00 54.52 H new ATOM 0 HB3 ARG A 48 -7.384 -12.586 -10.042 1.00 54.52 H new ATOM 0 HG2 ARG A 48 -8.787 -11.109 -7.790 1.00 4.41 H new ATOM 0 HG3 ARG A 48 -7.131 -10.897 -8.321 1.00 4.41 H new ATOM 0 HD2 ARG A 48 -9.604 -10.311 -10.000 1.00 23.22 H new ATOM 0 HD3 ARG A 48 -8.636 -9.107 -9.172 1.00 23.22 H new ATOM 0 HE ARG A 48 -8.011 -10.423 -11.695 1.00 5.32 H new ATOM 0 HH11 ARG A 48 -6.652 -8.867 -8.831 1.00 65.23 H new ATOM 0 HH12 ARG A 48 -5.163 -8.391 -9.654 1.00 65.23 H new ATOM 0 HH21 ARG A 48 -6.095 -9.807 -12.746 1.00 15.43 H new ATOM 0 HH22 ARG A 48 -4.849 -8.921 -11.862 1.00 15.43 H new ATOM 742 N VAL A 49 -9.632 -15.189 -9.088 1.00 1.31 N ATOM 743 CA VAL A 49 -9.682 -16.641 -9.205 1.00 31.22 C ATOM 744 C VAL A 49 -10.725 -17.074 -10.229 1.00 63.33 C ATOM 745 O VAL A 49 -10.561 -18.089 -10.906 1.00 22.23 O ATOM 746 CB VAL A 49 -10.003 -17.303 -7.851 1.00 42.53 C ATOM 747 CG1 VAL A 49 -9.996 -18.818 -7.982 1.00 53.13 C ATOM 748 CG2 VAL A 49 -9.014 -16.847 -6.789 1.00 12.24 C ATOM 0 H VAL A 49 -9.668 -14.842 -8.130 1.00 1.31 H new ATOM 0 HA VAL A 49 -8.695 -16.966 -9.535 1.00 31.22 H new ATOM 0 HB VAL A 49 -11.002 -16.994 -7.542 1.00 42.53 H new ATOM 0 HG11 VAL A 49 -10.225 -19.268 -7.016 1.00 53.13 H new ATOM 0 HG12 VAL A 49 -10.746 -19.124 -8.711 1.00 53.13 H new ATOM 0 HG13 VAL A 49 -9.012 -19.150 -8.313 1.00 53.13 H new ATOM 0 HG21 VAL A 49 -9.255 -17.324 -5.839 1.00 12.24 H new ATOM 0 HG22 VAL A 49 -8.004 -17.126 -7.089 1.00 12.24 H new ATOM 0 HG23 VAL A 49 -9.074 -15.764 -6.677 1.00 12.24 H new ATOM 758 N ALA A 50 -11.797 -16.297 -10.339 1.00 33.34 N ATOM 759 CA ALA A 50 -12.866 -16.599 -11.283 1.00 12.13 C ATOM 760 C ALA A 50 -12.401 -16.399 -12.721 1.00 62.30 C ATOM 761 O ALA A 50 -12.546 -17.288 -13.560 1.00 71.13 O ATOM 762 CB ALA A 50 -14.084 -15.734 -10.995 1.00 52.40 C ATOM 0 H ALA A 50 -11.948 -15.453 -9.786 1.00 33.34 H new ATOM 0 HA ALA A 50 -13.141 -17.647 -11.160 1.00 12.13 H new ATOM 0 HB1 ALA A 50 -14.875 -15.970 -11.707 1.00 52.40 H new ATOM 0 HB2 ALA A 50 -14.438 -15.929 -9.983 1.00 52.40 H new ATOM 0 HB3 ALA A 50 -13.814 -14.682 -11.088 1.00 52.40 H new ATOM 768 N VAL A 51 -11.841 -15.226 -13.000 1.00 30.24 N ATOM 769 CA VAL A 51 -11.354 -14.910 -14.337 1.00 2.00 C ATOM 770 C VAL A 51 -10.091 -15.700 -14.663 1.00 11.42 C ATOM 771 O VAL A 51 -9.748 -15.889 -15.831 1.00 32.54 O ATOM 772 CB VAL A 51 -11.058 -13.406 -14.485 1.00 51.34 C ATOM 773 CG1 VAL A 51 -10.107 -12.938 -13.394 1.00 14.00 C ATOM 774 CG2 VAL A 51 -10.488 -13.109 -15.864 1.00 5.10 C ATOM 0 H VAL A 51 -11.714 -14.479 -12.317 1.00 30.24 H new ATOM 0 HA VAL A 51 -12.143 -15.188 -15.035 1.00 2.00 H new ATOM 0 HB VAL A 51 -11.994 -12.857 -14.377 1.00 51.34 H new ATOM 0 HG11 VAL A 51 -9.910 -11.873 -13.515 1.00 14.00 H new ATOM 0 HG12 VAL A 51 -10.558 -13.115 -12.418 1.00 14.00 H new ATOM 0 HG13 VAL A 51 -9.170 -13.491 -13.466 1.00 14.00 H new ATOM 0 HG21 VAL A 51 -10.285 -12.042 -15.951 1.00 5.10 H new ATOM 0 HG22 VAL A 51 -9.562 -13.667 -16.003 1.00 5.10 H new ATOM 0 HG23 VAL A 51 -11.208 -13.405 -16.627 1.00 5.10 H new ATOM 784 N LEU A 52 -9.402 -16.158 -13.624 1.00 34.54 N ATOM 785 CA LEU A 52 -8.176 -16.929 -13.798 1.00 73.35 C ATOM 786 C LEU A 52 -8.487 -18.410 -13.992 1.00 61.03 C ATOM 787 O LEU A 52 -7.789 -19.111 -14.726 1.00 54.52 O ATOM 788 CB LEU A 52 -7.257 -16.743 -12.590 1.00 61.32 C ATOM 789 CG LEU A 52 -6.714 -15.331 -12.371 1.00 43.22 C ATOM 790 CD1 LEU A 52 -6.058 -15.217 -11.004 1.00 23.21 C ATOM 791 CD2 LEU A 52 -5.728 -14.962 -13.470 1.00 62.21 C ATOM 0 H LEU A 52 -9.671 -16.009 -12.652 1.00 34.54 H new ATOM 0 HA LEU A 52 -7.670 -16.563 -14.691 1.00 73.35 H new ATOM 0 HB2 LEU A 52 -7.801 -17.044 -11.695 1.00 61.32 H new ATOM 0 HB3 LEU A 52 -6.412 -17.424 -12.693 1.00 61.32 H new ATOM 0 HG LEU A 52 -7.549 -14.632 -12.410 1.00 43.22 H new ATOM 0 HD11 LEU A 52 -5.677 -14.205 -10.866 1.00 23.21 H new ATOM 0 HD12 LEU A 52 -6.792 -15.437 -10.229 1.00 23.21 H new ATOM 0 HD13 LEU A 52 -5.234 -15.927 -10.936 1.00 23.21 H new ATOM 0 HD21 LEU A 52 -5.352 -13.954 -13.298 1.00 62.21 H new ATOM 0 HD22 LEU A 52 -4.896 -15.666 -13.463 1.00 62.21 H new ATOM 0 HD23 LEU A 52 -6.229 -15.002 -14.437 1.00 62.21 H new ATOM 803 N PHE A 53 -9.539 -18.880 -13.331 1.00 55.00 N ATOM 804 CA PHE A 53 -9.944 -20.277 -13.431 1.00 62.54 C ATOM 805 C PHE A 53 -11.326 -20.400 -14.067 1.00 2.55 C ATOM 806 O PHE A 53 -12.310 -20.744 -13.412 1.00 24.45 O ATOM 807 CB PHE A 53 -9.947 -20.930 -12.048 1.00 24.24 C ATOM 808 CG PHE A 53 -8.577 -21.068 -11.447 1.00 1.32 C ATOM 809 CD1 PHE A 53 -7.743 -22.109 -11.821 1.00 72.21 C ATOM 810 CD2 PHE A 53 -8.123 -20.155 -10.508 1.00 63.23 C ATOM 811 CE1 PHE A 53 -6.483 -22.238 -11.269 1.00 63.32 C ATOM 812 CE2 PHE A 53 -6.863 -20.279 -9.953 1.00 41.02 C ATOM 813 CZ PHE A 53 -6.042 -21.321 -10.335 1.00 65.51 C ATOM 0 H PHE A 53 -10.127 -18.313 -12.720 1.00 55.00 H new ATOM 0 HA PHE A 53 -9.224 -20.792 -14.067 1.00 62.54 H new ATOM 0 HB2 PHE A 53 -10.571 -20.339 -11.378 1.00 24.24 H new ATOM 0 HB3 PHE A 53 -10.404 -21.917 -12.122 1.00 24.24 H new ATOM 0 HD1 PHE A 53 -8.082 -22.828 -12.552 1.00 72.21 H new ATOM 0 HD2 PHE A 53 -8.761 -19.337 -10.207 1.00 63.23 H new ATOM 0 HE1 PHE A 53 -5.843 -23.055 -11.568 1.00 63.32 H new ATOM 0 HE2 PHE A 53 -6.521 -19.562 -9.222 1.00 41.02 H new ATOM 0 HZ PHE A 53 -5.056 -21.419 -9.904 1.00 65.51 H new ATOM 823 N PRO A 54 -11.403 -20.109 -15.374 1.00 33.42 N ATOM 824 CA PRO A 54 -12.659 -20.179 -16.127 1.00 70.10 C ATOM 825 C PRO A 54 -13.143 -21.613 -16.316 1.00 44.24 C ATOM 826 O PRO A 54 -14.251 -21.845 -16.797 1.00 35.44 O ATOM 827 CB PRO A 54 -12.298 -19.554 -17.477 1.00 11.22 C ATOM 828 CG PRO A 54 -10.830 -19.765 -17.612 1.00 4.04 C ATOM 829 CD PRO A 54 -10.271 -19.692 -16.217 1.00 50.44 C ATOM 0 HA PRO A 54 -13.473 -19.671 -15.610 1.00 70.10 H new ATOM 0 HB2 PRO A 54 -12.843 -20.030 -18.292 1.00 11.22 H new ATOM 0 HB3 PRO A 54 -12.549 -18.494 -17.502 1.00 11.22 H new ATOM 0 HG2 PRO A 54 -10.615 -20.731 -18.069 1.00 4.04 H new ATOM 0 HG3 PRO A 54 -10.383 -19.004 -18.252 1.00 4.04 H new ATOM 0 HD2 PRO A 54 -9.413 -20.352 -16.093 1.00 50.44 H new ATOM 0 HD3 PRO A 54 -9.936 -18.684 -15.970 1.00 50.44 H new ATOM 837 N ALA A 55 -12.304 -22.571 -15.935 1.00 43.44 N ATOM 838 CA ALA A 55 -12.647 -23.981 -16.061 1.00 73.51 C ATOM 839 C ALA A 55 -13.954 -24.295 -15.341 1.00 12.45 C ATOM 840 O ALA A 55 -14.650 -25.252 -15.683 1.00 10.33 O ATOM 841 CB ALA A 55 -11.522 -24.849 -15.518 1.00 23.22 C ATOM 0 H ALA A 55 -11.382 -22.395 -15.536 1.00 43.44 H new ATOM 0 HA ALA A 55 -12.783 -24.202 -17.120 1.00 73.51 H new ATOM 0 HB1 ALA A 55 -11.792 -25.900 -15.619 1.00 23.22 H new ATOM 0 HB2 ALA A 55 -10.608 -24.654 -16.080 1.00 23.22 H new ATOM 0 HB3 ALA A 55 -11.358 -24.616 -14.466 1.00 23.22 H new ATOM 847 N LEU A 56 -14.282 -23.483 -14.341 1.00 72.21 N ATOM 848 CA LEU A 56 -15.506 -23.674 -13.571 1.00 34.10 C ATOM 849 C LEU A 56 -16.376 -22.422 -13.611 1.00 41.51 C ATOM 850 O LEU A 56 -16.052 -21.451 -14.295 1.00 41.33 O ATOM 851 CB LEU A 56 -15.170 -24.029 -12.122 1.00 33.34 C ATOM 852 CG LEU A 56 -14.189 -23.096 -11.412 1.00 64.01 C ATOM 853 CD1 LEU A 56 -14.870 -22.387 -10.252 1.00 41.42 C ATOM 854 CD2 LEU A 56 -12.973 -23.871 -10.926 1.00 3.03 C ATOM 0 H LEU A 56 -13.717 -22.687 -14.045 1.00 72.21 H new ATOM 0 HA LEU A 56 -16.064 -24.496 -14.020 1.00 34.10 H new ATOM 0 HB2 LEU A 56 -16.098 -24.051 -11.550 1.00 33.34 H new ATOM 0 HB3 LEU A 56 -14.759 -25.038 -12.102 1.00 33.34 H new ATOM 0 HG LEU A 56 -13.854 -22.342 -12.125 1.00 64.01 H new ATOM 0 HD11 LEU A 56 -14.156 -21.727 -9.759 1.00 41.42 H new ATOM 0 HD12 LEU A 56 -15.708 -21.799 -10.626 1.00 41.42 H new ATOM 0 HD13 LEU A 56 -15.235 -23.125 -9.538 1.00 41.42 H new ATOM 0 HD21 LEU A 56 -12.285 -23.191 -10.423 1.00 3.03 H new ATOM 0 HD22 LEU A 56 -13.291 -24.647 -10.229 1.00 3.03 H new ATOM 0 HD23 LEU A 56 -12.471 -24.331 -11.777 1.00 3.03 H new ATOM 866 N ARG A 57 -17.480 -22.450 -12.872 1.00 1.12 N ATOM 867 CA ARG A 57 -18.396 -21.316 -12.822 1.00 65.51 C ATOM 868 C ARG A 57 -17.695 -20.075 -12.279 1.00 5.22 C ATOM 869 O ARG A 57 -16.712 -20.159 -11.542 1.00 65.03 O ATOM 870 CB ARG A 57 -19.609 -21.651 -11.953 1.00 30.50 C ATOM 871 CG ARG A 57 -20.537 -22.683 -12.574 1.00 2.01 C ATOM 872 CD ARG A 57 -21.135 -23.601 -11.519 1.00 43.13 C ATOM 873 NE ARG A 57 -21.555 -24.881 -12.082 1.00 65.35 N ATOM 874 CZ ARG A 57 -22.073 -25.868 -11.359 1.00 42.34 C ATOM 875 NH1 ARG A 57 -22.235 -25.721 -10.052 1.00 24.24 N ATOM 876 NH2 ARG A 57 -22.431 -27.004 -11.944 1.00 41.45 N ATOM 0 H ARG A 57 -17.762 -23.246 -12.299 1.00 1.12 H new ATOM 0 HA ARG A 57 -18.732 -21.107 -13.838 1.00 65.51 H new ATOM 0 HB2 ARG A 57 -19.263 -22.020 -10.988 1.00 30.50 H new ATOM 0 HB3 ARG A 57 -20.172 -20.737 -11.762 1.00 30.50 H new ATOM 0 HG2 ARG A 57 -21.338 -22.176 -13.113 1.00 2.01 H new ATOM 0 HG3 ARG A 57 -19.987 -23.276 -13.304 1.00 2.01 H new ATOM 0 HD2 ARG A 57 -20.401 -23.775 -10.732 1.00 43.13 H new ATOM 0 HD3 ARG A 57 -21.991 -23.111 -11.055 1.00 43.13 H new ATOM 0 HE ARG A 57 -21.445 -25.025 -13.086 1.00 65.35 H new ATOM 0 HH11 ARG A 57 -21.962 -24.849 -9.599 1.00 24.24 H new ATOM 0 HH12 ARG A 57 -22.633 -26.480 -9.499 1.00 24.24 H new ATOM 0 HH21 ARG A 57 -22.309 -27.120 -12.950 1.00 41.45 H new ATOM 0 HH22 ARG A 57 -22.829 -27.761 -11.388 1.00 41.45 H new ATOM 890 N PRO A 58 -18.210 -18.894 -12.650 1.00 53.42 N ATOM 891 CA PRO A 58 -17.650 -17.612 -12.212 1.00 23.02 C ATOM 892 C PRO A 58 -17.880 -17.356 -10.726 1.00 70.42 C ATOM 893 O PRO A 58 -16.954 -17.005 -9.996 1.00 73.20 O ATOM 894 CB PRO A 58 -18.410 -16.585 -13.055 1.00 63.32 C ATOM 895 CG PRO A 58 -19.697 -17.254 -13.397 1.00 4.32 C ATOM 896 CD PRO A 58 -19.381 -18.718 -13.526 1.00 61.22 C ATOM 0 HA PRO A 58 -16.569 -17.574 -12.343 1.00 23.02 H new ATOM 0 HB2 PRO A 58 -18.579 -15.663 -12.499 1.00 63.32 H new ATOM 0 HB3 PRO A 58 -17.852 -16.318 -13.952 1.00 63.32 H new ATOM 0 HG2 PRO A 58 -20.444 -17.083 -12.622 1.00 4.32 H new ATOM 0 HG3 PRO A 58 -20.107 -16.860 -14.327 1.00 4.32 H new ATOM 0 HD2 PRO A 58 -20.218 -19.339 -13.207 1.00 61.22 H new ATOM 0 HD3 PRO A 58 -19.156 -18.991 -14.557 1.00 61.22 H new ATOM 904 N GLY A 59 -19.121 -17.536 -10.285 1.00 15.51 N ATOM 905 CA GLY A 59 -19.450 -17.320 -8.888 1.00 15.00 C ATOM 906 C GLY A 59 -20.040 -18.554 -8.234 1.00 40.11 C ATOM 907 O GLY A 59 -21.185 -18.540 -7.785 1.00 73.13 O ATOM 0 H GLY A 59 -19.904 -17.827 -10.870 1.00 15.51 H new ATOM 0 HA2 GLY A 59 -18.551 -17.021 -8.348 1.00 15.00 H new ATOM 0 HA3 GLY A 59 -20.159 -16.496 -8.808 1.00 15.00 H new ATOM 911 N GLY A 60 -19.255 -19.626 -8.181 1.00 73.13 N ATOM 912 CA GLY A 60 -19.724 -20.860 -7.578 1.00 14.45 C ATOM 913 C GLY A 60 -18.587 -21.752 -7.123 1.00 65.25 C ATOM 914 O GLY A 60 -18.550 -22.939 -7.450 1.00 52.33 O ATOM 0 H GLY A 60 -18.303 -19.662 -8.545 1.00 73.13 H new ATOM 0 HA2 GLY A 60 -20.361 -20.625 -6.725 1.00 14.45 H new ATOM 0 HA3 GLY A 60 -20.340 -21.400 -8.296 1.00 14.45 H new ATOM 918 N PHE A 61 -17.653 -21.181 -6.369 1.00 74.21 N ATOM 919 CA PHE A 61 -16.507 -21.933 -5.872 1.00 0.44 C ATOM 920 C PHE A 61 -16.053 -21.398 -4.517 1.00 22.05 C ATOM 921 O PHE A 61 -16.320 -20.247 -4.171 1.00 65.33 O ATOM 922 CB PHE A 61 -15.352 -21.864 -6.873 1.00 1.12 C ATOM 923 CG PHE A 61 -14.667 -20.527 -6.907 1.00 73.54 C ATOM 924 CD1 PHE A 61 -15.239 -19.459 -7.579 1.00 44.22 C ATOM 925 CD2 PHE A 61 -13.452 -20.340 -6.268 1.00 72.15 C ATOM 926 CE1 PHE A 61 -14.611 -18.227 -7.613 1.00 34.53 C ATOM 927 CE2 PHE A 61 -12.821 -19.111 -6.298 1.00 64.12 C ATOM 928 CZ PHE A 61 -13.400 -18.054 -6.972 1.00 53.11 C ATOM 0 H PHE A 61 -17.668 -20.200 -6.089 1.00 74.21 H new ATOM 0 HA PHE A 61 -16.811 -22.973 -5.750 1.00 0.44 H new ATOM 0 HB2 PHE A 61 -14.620 -22.632 -6.624 1.00 1.12 H new ATOM 0 HB3 PHE A 61 -15.730 -22.095 -7.869 1.00 1.12 H new ATOM 0 HD1 PHE A 61 -16.186 -19.590 -8.082 1.00 44.22 H new ATOM 0 HD2 PHE A 61 -12.993 -21.163 -5.741 1.00 72.15 H new ATOM 0 HE1 PHE A 61 -15.067 -17.402 -8.140 1.00 34.53 H new ATOM 0 HE2 PHE A 61 -11.875 -18.977 -5.794 1.00 64.12 H new ATOM 0 HZ PHE A 61 -12.907 -17.094 -6.998 1.00 53.11 H new ATOM 938 N GLN A 62 -15.366 -22.243 -3.754 1.00 11.41 N ATOM 939 CA GLN A 62 -14.876 -21.856 -2.436 1.00 51.22 C ATOM 940 C GLN A 62 -13.365 -22.043 -2.341 1.00 15.23 C ATOM 941 O GLN A 62 -12.835 -23.090 -2.711 1.00 14.04 O ATOM 942 CB GLN A 62 -15.573 -22.675 -1.349 1.00 31.23 C ATOM 943 CG GLN A 62 -16.646 -21.902 -0.598 1.00 65.30 C ATOM 944 CD GLN A 62 -16.134 -20.592 -0.034 1.00 45.53 C ATOM 945 OE1 GLN A 62 -16.792 -19.557 -0.142 1.00 51.30 O ATOM 946 NE2 GLN A 62 -14.953 -20.628 0.572 1.00 64.43 N ATOM 0 H GLN A 62 -15.136 -23.199 -4.026 1.00 11.41 H new ATOM 0 HA GLN A 62 -15.103 -20.800 -2.287 1.00 51.22 H new ATOM 0 HB2 GLN A 62 -16.024 -23.557 -1.803 1.00 31.23 H new ATOM 0 HB3 GLN A 62 -14.827 -23.029 -0.638 1.00 31.23 H new ATOM 0 HG2 GLN A 62 -17.482 -21.702 -1.269 1.00 65.30 H new ATOM 0 HG3 GLN A 62 -17.030 -22.518 0.215 1.00 65.30 H new ATOM 0 HE21 GLN A 62 -14.441 -21.508 0.639 1.00 64.43 H new ATOM 0 HE22 GLN A 62 -14.558 -19.776 0.970 1.00 64.43 H new ATOM 955 N ALA A 63 -12.678 -21.020 -1.843 1.00 21.45 N ATOM 956 CA ALA A 63 -11.229 -21.073 -1.697 1.00 4.00 C ATOM 957 C ALA A 63 -10.833 -21.430 -0.268 1.00 61.02 C ATOM 958 O ALA A 63 -11.335 -20.843 0.691 1.00 41.01 O ATOM 959 CB ALA A 63 -10.609 -19.744 -2.102 1.00 1.42 C ATOM 0 H ALA A 63 -13.102 -20.145 -1.534 1.00 21.45 H new ATOM 0 HA ALA A 63 -10.851 -21.854 -2.356 1.00 4.00 H new ATOM 0 HB1 ALA A 63 -9.526 -19.798 -1.988 1.00 1.42 H new ATOM 0 HB2 ALA A 63 -10.854 -19.530 -3.142 1.00 1.42 H new ATOM 0 HB3 ALA A 63 -11.002 -18.951 -1.466 1.00 1.42 H new ATOM 965 N HIS A 64 -9.930 -22.397 -0.133 1.00 14.40 N ATOM 966 CA HIS A 64 -9.467 -22.832 1.180 1.00 54.01 C ATOM 967 C HIS A 64 -8.025 -22.396 1.419 1.00 21.52 C ATOM 968 O HIS A 64 -7.289 -22.108 0.476 1.00 44.33 O ATOM 969 CB HIS A 64 -9.581 -24.351 1.306 1.00 33.51 C ATOM 970 CG HIS A 64 -10.967 -24.870 1.071 1.00 44.15 C ATOM 971 ND1 HIS A 64 -11.573 -24.862 -0.168 1.00 3.30 N ATOM 972 CD2 HIS A 64 -11.864 -25.416 1.924 1.00 55.04 C ATOM 973 CE1 HIS A 64 -12.784 -25.379 -0.066 1.00 51.33 C ATOM 974 NE2 HIS A 64 -12.986 -25.724 1.193 1.00 44.52 N ATOM 0 H HIS A 64 -9.505 -22.893 -0.916 1.00 14.40 H new ATOM 0 HA HIS A 64 -10.099 -22.364 1.935 1.00 54.01 H new ATOM 0 HB2 HIS A 64 -8.901 -24.818 0.593 1.00 33.51 H new ATOM 0 HB3 HIS A 64 -9.254 -24.650 2.302 1.00 33.51 H new ATOM 0 HD2 HIS A 64 -11.724 -25.579 2.982 1.00 55.04 H new ATOM 0 HE1 HIS A 64 -13.490 -25.499 -0.875 1.00 51.33 H new ATOM 0 HE2 HIS A 64 -13.836 -26.150 1.562 1.00 44.52 H new ATOM 982 N TYR A 65 -7.628 -22.351 2.686 1.00 14.02 N ATOM 983 CA TYR A 65 -6.275 -21.948 3.049 1.00 12.45 C ATOM 984 C TYR A 65 -5.691 -22.885 4.102 1.00 72.11 C ATOM 985 O TYR A 65 -6.368 -23.259 5.060 1.00 22.20 O ATOM 986 CB TYR A 65 -6.272 -20.510 3.573 1.00 71.32 C ATOM 987 CG TYR A 65 -6.796 -20.379 4.985 1.00 54.10 C ATOM 988 CD1 TYR A 65 -5.947 -20.506 6.077 1.00 64.51 C ATOM 989 CD2 TYR A 65 -8.141 -20.128 5.227 1.00 32.44 C ATOM 990 CE1 TYR A 65 -6.421 -20.388 7.369 1.00 50.00 C ATOM 991 CE2 TYR A 65 -8.624 -20.007 6.516 1.00 52.11 C ATOM 992 CZ TYR A 65 -7.760 -20.138 7.583 1.00 14.33 C ATOM 993 OH TYR A 65 -8.238 -20.019 8.868 1.00 1.24 O ATOM 0 H TYR A 65 -8.224 -22.589 3.479 1.00 14.02 H new ATOM 0 HA TYR A 65 -5.655 -22.004 2.155 1.00 12.45 H new ATOM 0 HB2 TYR A 65 -5.255 -20.120 3.534 1.00 71.32 H new ATOM 0 HB3 TYR A 65 -6.876 -19.890 2.911 1.00 71.32 H new ATOM 0 HD1 TYR A 65 -4.897 -20.701 5.913 1.00 64.51 H new ATOM 0 HD2 TYR A 65 -8.820 -20.026 4.394 1.00 32.44 H new ATOM 0 HE1 TYR A 65 -5.747 -20.491 8.207 1.00 50.00 H new ATOM 0 HE2 TYR A 65 -9.672 -19.811 6.687 1.00 52.11 H new ATOM 0 HH TYR A 65 -9.202 -19.842 8.844 1.00 1.24 H new ATOM 1003 N ARG A 66 -4.430 -23.260 3.916 1.00 21.30 N ATOM 1004 CA ARG A 66 -3.754 -24.154 4.848 1.00 25.40 C ATOM 1005 C ARG A 66 -3.429 -23.434 6.154 1.00 63.45 C ATOM 1006 O ARG A 66 -2.601 -22.525 6.183 1.00 44.43 O ATOM 1007 CB ARG A 66 -2.470 -24.702 4.222 1.00 45.20 C ATOM 1008 CG ARG A 66 -2.654 -26.040 3.526 1.00 61.41 C ATOM 1009 CD ARG A 66 -1.490 -26.979 3.806 1.00 55.21 C ATOM 1010 NE ARG A 66 -1.573 -28.204 3.016 1.00 74.22 N ATOM 1011 CZ ARG A 66 -0.592 -29.096 2.937 1.00 44.52 C ATOM 1012 NH1 ARG A 66 0.541 -28.899 3.597 1.00 44.13 N ATOM 1013 NH2 ARG A 66 -0.742 -30.187 2.197 1.00 53.41 N ATOM 0 H ARG A 66 -3.856 -22.959 3.129 1.00 21.30 H new ATOM 0 HA ARG A 66 -4.426 -24.984 5.068 1.00 25.40 H new ATOM 0 HB2 ARG A 66 -2.089 -23.977 3.503 1.00 45.20 H new ATOM 0 HB3 ARG A 66 -1.713 -24.808 4.999 1.00 45.20 H new ATOM 0 HG2 ARG A 66 -3.583 -26.501 3.861 1.00 61.41 H new ATOM 0 HG3 ARG A 66 -2.746 -25.883 2.451 1.00 61.41 H new ATOM 0 HD2 ARG A 66 -0.552 -26.469 3.587 1.00 55.21 H new ATOM 0 HD3 ARG A 66 -1.475 -27.232 4.866 1.00 55.21 H new ATOM 0 HE ARG A 66 -2.432 -28.385 2.496 1.00 74.22 H new ATOM 0 HH11 ARG A 66 0.660 -28.061 4.167 1.00 44.13 H new ATOM 0 HH12 ARG A 66 1.293 -29.585 3.535 1.00 44.13 H new ATOM 0 HH21 ARG A 66 -1.612 -30.342 1.687 1.00 53.41 H new ATOM 0 HH22 ARG A 66 0.013 -30.871 2.138 1.00 53.41 H new ATOM 1027 N ALA A 67 -4.087 -23.848 7.231 1.00 34.11 N ATOM 1028 CA ALA A 67 -3.868 -23.244 8.539 1.00 22.04 C ATOM 1029 C ALA A 67 -2.647 -23.848 9.225 1.00 30.11 C ATOM 1030 O ALA A 67 -1.923 -24.647 8.632 1.00 40.43 O ATOM 1031 CB ALA A 67 -5.103 -23.412 9.412 1.00 2.12 C ATOM 0 H ALA A 67 -4.777 -24.600 7.224 1.00 34.11 H new ATOM 0 HA ALA A 67 -3.682 -22.180 8.394 1.00 22.04 H new ATOM 0 HB1 ALA A 67 -4.925 -22.956 10.386 1.00 2.12 H new ATOM 0 HB2 ALA A 67 -5.955 -22.927 8.935 1.00 2.12 H new ATOM 0 HB3 ALA A 67 -5.315 -24.473 9.542 1.00 2.12 H new ATOM 1037 N GLU A 68 -2.425 -23.461 10.477 1.00 10.42 N ATOM 1038 CA GLU A 68 -1.290 -23.964 11.242 1.00 11.10 C ATOM 1039 C GLU A 68 -1.348 -25.484 11.365 1.00 42.21 C ATOM 1040 O GLU A 68 -0.316 -26.149 11.458 1.00 33.21 O ATOM 1041 CB GLU A 68 -1.263 -23.329 12.634 1.00 31.31 C ATOM 1042 CG GLU A 68 -2.550 -23.527 13.418 1.00 4.21 C ATOM 1043 CD GLU A 68 -2.541 -22.796 14.747 1.00 60.51 C ATOM 1044 OE1 GLU A 68 -2.641 -21.552 14.740 1.00 43.55 O ATOM 1045 OE2 GLU A 68 -2.434 -23.469 15.794 1.00 73.05 O ATOM 0 H GLU A 68 -3.016 -22.801 10.983 1.00 10.42 H new ATOM 0 HA GLU A 68 -0.378 -23.694 10.710 1.00 11.10 H new ATOM 0 HB2 GLU A 68 -0.433 -23.751 13.201 1.00 31.31 H new ATOM 0 HB3 GLU A 68 -1.069 -22.261 12.533 1.00 31.31 H new ATOM 0 HG2 GLU A 68 -3.392 -23.178 12.821 1.00 4.21 H new ATOM 0 HG3 GLU A 68 -2.704 -24.592 13.594 1.00 4.21 H new ATOM 1052 N ARG A 69 -2.561 -26.026 11.365 1.00 53.22 N ATOM 1053 CA ARG A 69 -2.755 -27.466 11.478 1.00 24.41 C ATOM 1054 C ARG A 69 -2.513 -28.154 10.138 1.00 74.44 C ATOM 1055 O ARG A 69 -2.150 -29.329 10.087 1.00 10.44 O ATOM 1056 CB ARG A 69 -4.168 -27.775 11.975 1.00 70.30 C ATOM 1057 CG ARG A 69 -4.579 -26.957 13.188 1.00 34.53 C ATOM 1058 CD ARG A 69 -5.418 -25.753 12.790 1.00 42.01 C ATOM 1059 NE ARG A 69 -6.347 -25.359 13.846 1.00 62.42 N ATOM 1060 CZ ARG A 69 -7.437 -26.050 14.160 1.00 55.50 C ATOM 1061 NH1 ARG A 69 -7.734 -27.162 13.503 1.00 60.30 N ATOM 1062 NH2 ARG A 69 -8.234 -25.627 15.134 1.00 61.14 N ATOM 0 H ARG A 69 -3.425 -25.489 11.288 1.00 53.22 H new ATOM 0 HA ARG A 69 -2.033 -27.849 12.199 1.00 24.41 H new ATOM 0 HB2 ARG A 69 -4.876 -27.592 11.167 1.00 70.30 H new ATOM 0 HB3 ARG A 69 -4.233 -28.834 12.223 1.00 70.30 H new ATOM 0 HG2 ARG A 69 -5.145 -27.585 13.877 1.00 34.53 H new ATOM 0 HG3 ARG A 69 -3.689 -26.622 13.721 1.00 34.53 H new ATOM 0 HD2 ARG A 69 -4.761 -24.916 12.554 1.00 42.01 H new ATOM 0 HD3 ARG A 69 -5.977 -25.985 11.883 1.00 42.01 H new ATOM 0 HE ARG A 69 -6.148 -24.507 14.371 1.00 62.42 H new ATOM 0 HH11 ARG A 69 -7.125 -27.490 12.754 1.00 60.30 H new ATOM 0 HH12 ARG A 69 -8.572 -27.690 13.747 1.00 60.30 H new ATOM 0 HH21 ARG A 69 -8.009 -24.771 15.641 1.00 61.14 H new ATOM 0 HH22 ARG A 69 -9.071 -26.158 15.375 1.00 61.14 H new ATOM 1076 N GLY A 70 -2.719 -27.414 9.053 1.00 50.25 N ATOM 1077 CA GLY A 70 -2.520 -27.969 7.727 1.00 61.33 C ATOM 1078 C GLY A 70 -3.808 -28.479 7.112 1.00 33.22 C ATOM 1079 O GLY A 70 -3.784 -29.281 6.178 1.00 2.11 O ATOM 0 H GLY A 70 -3.020 -26.440 9.069 1.00 50.25 H new ATOM 0 HA2 GLY A 70 -2.089 -27.207 7.079 1.00 61.33 H new ATOM 0 HA3 GLY A 70 -1.800 -28.785 7.783 1.00 61.33 H new ATOM 1083 N ASP A 71 -4.937 -28.015 7.638 1.00 64.32 N ATOM 1084 CA ASP A 71 -6.241 -28.430 7.135 1.00 14.14 C ATOM 1085 C ASP A 71 -6.767 -27.437 6.103 1.00 64.31 C ATOM 1086 O ASP A 71 -6.155 -26.396 5.860 1.00 52.10 O ATOM 1087 CB ASP A 71 -7.238 -28.561 8.288 1.00 4.45 C ATOM 1088 CG ASP A 71 -7.046 -29.841 9.077 1.00 62.20 C ATOM 1089 OD1 ASP A 71 -6.035 -30.536 8.843 1.00 51.22 O ATOM 1090 OD2 ASP A 71 -7.907 -30.149 9.928 1.00 60.13 O ATOM 0 H ASP A 71 -4.975 -27.352 8.412 1.00 64.32 H new ATOM 0 HA ASP A 71 -6.124 -29.401 6.653 1.00 14.14 H new ATOM 0 HB2 ASP A 71 -7.131 -27.706 8.956 1.00 4.45 H new ATOM 0 HB3 ASP A 71 -8.253 -28.531 7.892 1.00 4.45 H new ATOM 1095 N LEU A 72 -7.902 -27.767 5.497 1.00 12.24 N ATOM 1096 CA LEU A 72 -8.510 -26.905 4.490 1.00 40.34 C ATOM 1097 C LEU A 72 -9.692 -26.136 5.072 1.00 72.54 C ATOM 1098 O LEU A 72 -10.694 -26.729 5.474 1.00 43.22 O ATOM 1099 CB LEU A 72 -8.968 -27.735 3.289 1.00 4.20 C ATOM 1100 CG LEU A 72 -7.858 -28.305 2.405 1.00 21.11 C ATOM 1101 CD1 LEU A 72 -8.450 -29.080 1.239 1.00 70.45 C ATOM 1102 CD2 LEU A 72 -6.951 -27.191 1.902 1.00 31.23 C ATOM 0 H LEU A 72 -8.420 -28.625 5.685 1.00 12.24 H new ATOM 0 HA LEU A 72 -7.759 -26.186 4.162 1.00 40.34 H new ATOM 0 HB2 LEU A 72 -9.575 -28.563 3.655 1.00 4.20 H new ATOM 0 HB3 LEU A 72 -9.616 -27.115 2.670 1.00 4.20 H new ATOM 0 HG LEU A 72 -7.259 -28.991 3.004 1.00 21.11 H new ATOM 0 HD11 LEU A 72 -7.645 -29.478 0.621 1.00 70.45 H new ATOM 0 HD12 LEU A 72 -9.057 -29.902 1.619 1.00 70.45 H new ATOM 0 HD13 LEU A 72 -9.073 -28.416 0.640 1.00 70.45 H new ATOM 0 HD21 LEU A 72 -6.167 -27.615 1.275 1.00 31.23 H new ATOM 0 HD22 LEU A 72 -7.537 -26.480 1.319 1.00 31.23 H new ATOM 0 HD23 LEU A 72 -6.499 -26.679 2.751 1.00 31.23 H new ATOM 1114 N VAL A 73 -9.570 -24.813 5.111 1.00 21.43 N ATOM 1115 CA VAL A 73 -10.630 -23.963 5.641 1.00 65.23 C ATOM 1116 C VAL A 73 -11.162 -23.018 4.570 1.00 52.03 C ATOM 1117 O VAL A 73 -10.502 -22.048 4.199 1.00 24.21 O ATOM 1118 CB VAL A 73 -10.137 -23.135 6.842 1.00 1.21 C ATOM 1119 CG1 VAL A 73 -11.246 -22.230 7.358 1.00 62.32 C ATOM 1120 CG2 VAL A 73 -9.627 -24.049 7.946 1.00 62.02 C ATOM 0 H VAL A 73 -8.748 -24.307 4.782 1.00 21.43 H new ATOM 0 HA VAL A 73 -11.432 -24.624 5.970 1.00 65.23 H new ATOM 0 HB VAL A 73 -9.311 -22.505 6.512 1.00 1.21 H new ATOM 0 HG11 VAL A 73 -10.879 -21.653 8.207 1.00 62.32 H new ATOM 0 HG12 VAL A 73 -11.560 -21.551 6.565 1.00 62.32 H new ATOM 0 HG13 VAL A 73 -12.095 -22.837 7.672 1.00 62.32 H new ATOM 0 HG21 VAL A 73 -9.283 -23.447 8.787 1.00 62.02 H new ATOM 0 HG22 VAL A 73 -10.432 -24.706 8.276 1.00 62.02 H new ATOM 0 HG23 VAL A 73 -8.800 -24.650 7.568 1.00 62.02 H new ATOM 1130 N ALA A 74 -12.362 -23.307 4.076 1.00 22.44 N ATOM 1131 CA ALA A 74 -12.985 -22.482 3.050 1.00 51.24 C ATOM 1132 C ALA A 74 -13.237 -21.067 3.561 1.00 74.43 C ATOM 1133 O ALA A 74 -14.157 -20.835 4.345 1.00 12.13 O ATOM 1134 CB ALA A 74 -14.286 -23.116 2.581 1.00 54.44 C ATOM 0 H ALA A 74 -12.922 -24.107 4.371 1.00 22.44 H new ATOM 0 HA ALA A 74 -12.300 -22.418 2.205 1.00 51.24 H new ATOM 0 HB1 ALA A 74 -14.741 -22.489 1.814 1.00 54.44 H new ATOM 0 HB2 ALA A 74 -14.081 -24.103 2.167 1.00 54.44 H new ATOM 0 HB3 ALA A 74 -14.970 -23.211 3.425 1.00 54.44 H new ATOM 1140 N PHE A 75 -12.415 -20.125 3.112 1.00 65.43 N ATOM 1141 CA PHE A 75 -12.548 -18.733 3.525 1.00 23.42 C ATOM 1142 C PHE A 75 -13.422 -17.956 2.545 1.00 25.12 C ATOM 1143 O PHE A 75 -13.373 -18.186 1.337 1.00 50.52 O ATOM 1144 CB PHE A 75 -11.170 -18.076 3.630 1.00 61.24 C ATOM 1145 CG PHE A 75 -10.477 -17.922 2.306 1.00 73.43 C ATOM 1146 CD1 PHE A 75 -10.735 -16.827 1.497 1.00 4.14 C ATOM 1147 CD2 PHE A 75 -9.569 -18.874 1.869 1.00 12.34 C ATOM 1148 CE1 PHE A 75 -10.099 -16.682 0.279 1.00 63.13 C ATOM 1149 CE2 PHE A 75 -8.930 -18.734 0.652 1.00 30.00 C ATOM 1150 CZ PHE A 75 -9.196 -17.638 -0.145 1.00 0.41 C ATOM 0 H PHE A 75 -11.649 -20.300 2.462 1.00 65.43 H new ATOM 0 HA PHE A 75 -13.027 -18.715 4.504 1.00 23.42 H new ATOM 0 HB2 PHE A 75 -11.279 -17.094 4.091 1.00 61.24 H new ATOM 0 HB3 PHE A 75 -10.542 -18.671 4.293 1.00 61.24 H new ATOM 0 HD1 PHE A 75 -11.442 -16.078 1.822 1.00 4.14 H new ATOM 0 HD2 PHE A 75 -9.359 -19.735 2.487 1.00 12.34 H new ATOM 0 HE1 PHE A 75 -10.307 -15.823 -0.341 1.00 63.13 H new ATOM 0 HE2 PHE A 75 -8.223 -19.481 0.324 1.00 30.00 H new ATOM 0 HZ PHE A 75 -8.699 -17.528 -1.098 1.00 0.41 H new ATOM 1160 N SER A 76 -14.221 -17.036 3.076 1.00 44.35 N ATOM 1161 CA SER A 76 -15.109 -16.227 2.249 1.00 10.11 C ATOM 1162 C SER A 76 -15.499 -14.940 2.970 1.00 73.03 C ATOM 1163 O SER A 76 -16.668 -14.554 2.985 1.00 50.13 O ATOM 1164 CB SER A 76 -16.365 -17.021 1.884 1.00 25.43 C ATOM 1165 OG SER A 76 -17.054 -17.448 3.047 1.00 65.44 O ATOM 0 H SER A 76 -14.272 -16.832 4.074 1.00 44.35 H new ATOM 0 HA SER A 76 -14.576 -15.964 1.335 1.00 10.11 H new ATOM 0 HB2 SER A 76 -17.024 -16.404 1.273 1.00 25.43 H new ATOM 0 HB3 SER A 76 -16.090 -17.887 1.282 1.00 25.43 H new ATOM 0 HG SER A 76 -17.854 -17.952 2.787 1.00 65.44 H new ATOM 1171 N SER A 77 -14.512 -14.280 3.566 1.00 25.44 N ATOM 1172 CA SER A 77 -14.751 -13.039 4.293 1.00 43.24 C ATOM 1173 C SER A 77 -13.436 -12.328 4.602 1.00 74.35 C ATOM 1174 O SER A 77 -12.406 -12.969 4.810 1.00 42.35 O ATOM 1175 CB SER A 77 -15.509 -13.321 5.591 1.00 3.33 C ATOM 1176 OG SER A 77 -16.899 -13.452 5.352 1.00 13.31 O ATOM 0 H SER A 77 -13.538 -14.584 3.560 1.00 25.44 H new ATOM 0 HA SER A 77 -15.356 -12.388 3.662 1.00 43.24 H new ATOM 0 HB2 SER A 77 -15.128 -14.235 6.047 1.00 3.33 H new ATOM 0 HB3 SER A 77 -15.334 -12.513 6.301 1.00 3.33 H new ATOM 0 HG SER A 77 -17.045 -13.773 4.437 1.00 13.31 H new ATOM 1182 N ASP A 78 -13.481 -11.001 4.629 1.00 13.15 N ATOM 1183 CA ASP A 78 -12.295 -10.202 4.914 1.00 52.42 C ATOM 1184 C ASP A 78 -11.624 -10.665 6.203 1.00 41.11 C ATOM 1185 O ASP A 78 -10.410 -10.863 6.245 1.00 72.03 O ATOM 1186 CB ASP A 78 -12.665 -8.721 5.020 1.00 31.33 C ATOM 1187 CG ASP A 78 -13.737 -8.466 6.062 1.00 42.23 C ATOM 1188 OD1 ASP A 78 -14.866 -8.971 5.888 1.00 1.01 O ATOM 1189 OD2 ASP A 78 -13.446 -7.762 7.051 1.00 52.51 O ATOM 0 H ASP A 78 -14.326 -10.456 4.457 1.00 13.15 H new ATOM 0 HA ASP A 78 -11.592 -10.335 4.092 1.00 52.42 H new ATOM 0 HB2 ASP A 78 -11.775 -8.144 5.270 1.00 31.33 H new ATOM 0 HB3 ASP A 78 -13.013 -8.366 4.050 1.00 31.33 H new ATOM 1194 N GLU A 79 -12.422 -10.834 7.252 1.00 33.33 N ATOM 1195 CA GLU A 79 -11.904 -11.272 8.543 1.00 61.31 C ATOM 1196 C GLU A 79 -11.167 -12.602 8.410 1.00 4.33 C ATOM 1197 O GLU A 79 -10.304 -12.928 9.225 1.00 62.04 O ATOM 1198 CB GLU A 79 -13.043 -11.407 9.556 1.00 62.02 C ATOM 1199 CG GLU A 79 -14.004 -12.542 9.244 1.00 41.33 C ATOM 1200 CD GLU A 79 -15.129 -12.648 10.255 1.00 62.21 C ATOM 1201 OE1 GLU A 79 -14.831 -12.792 11.459 1.00 33.33 O ATOM 1202 OE2 GLU A 79 -16.306 -12.588 9.842 1.00 2.15 O ATOM 0 H GLU A 79 -13.429 -10.674 7.234 1.00 33.33 H new ATOM 0 HA GLU A 79 -11.200 -10.519 8.897 1.00 61.31 H new ATOM 0 HB2 GLU A 79 -12.619 -11.563 10.548 1.00 62.02 H new ATOM 0 HB3 GLU A 79 -13.599 -10.470 9.591 1.00 62.02 H new ATOM 0 HG2 GLU A 79 -14.426 -12.393 8.250 1.00 41.33 H new ATOM 0 HG3 GLU A 79 -13.454 -13.482 9.218 1.00 41.33 H new ATOM 1209 N GLU A 80 -11.514 -13.364 7.378 1.00 33.22 N ATOM 1210 CA GLU A 80 -10.887 -14.659 7.140 1.00 45.41 C ATOM 1211 C GLU A 80 -9.530 -14.489 6.461 1.00 12.24 C ATOM 1212 O GLU A 80 -8.612 -15.281 6.676 1.00 31.44 O ATOM 1213 CB GLU A 80 -11.794 -15.539 6.278 1.00 24.30 C ATOM 1214 CG GLU A 80 -11.713 -17.017 6.623 1.00 53.12 C ATOM 1215 CD GLU A 80 -12.012 -17.292 8.084 1.00 73.13 C ATOM 1216 OE1 GLU A 80 -12.708 -16.468 8.713 1.00 74.31 O ATOM 1217 OE2 GLU A 80 -11.550 -18.332 8.598 1.00 62.35 O ATOM 0 H GLU A 80 -12.225 -13.107 6.694 1.00 33.22 H new ATOM 0 HA GLU A 80 -10.734 -15.143 8.105 1.00 45.41 H new ATOM 0 HB2 GLU A 80 -12.825 -15.204 6.391 1.00 24.30 H new ATOM 0 HB3 GLU A 80 -11.528 -15.404 5.230 1.00 24.30 H new ATOM 0 HG2 GLU A 80 -12.417 -17.570 6.001 1.00 53.12 H new ATOM 0 HG3 GLU A 80 -10.716 -17.388 6.384 1.00 53.12 H new ATOM 1224 N LEU A 81 -9.412 -13.451 5.641 1.00 3.31 N ATOM 1225 CA LEU A 81 -8.168 -13.176 4.930 1.00 51.23 C ATOM 1226 C LEU A 81 -7.094 -12.667 5.886 1.00 35.14 C ATOM 1227 O LEU A 81 -5.986 -13.201 5.934 1.00 44.12 O ATOM 1228 CB LEU A 81 -8.408 -12.149 3.821 1.00 22.05 C ATOM 1229 CG LEU A 81 -8.955 -12.699 2.504 1.00 70.02 C ATOM 1230 CD1 LEU A 81 -8.016 -13.750 1.933 1.00 21.32 C ATOM 1231 CD2 LEU A 81 -10.348 -13.278 2.705 1.00 22.21 C ATOM 0 H LEU A 81 -10.162 -12.786 5.452 1.00 3.31 H new ATOM 0 HA LEU A 81 -7.819 -14.108 4.485 1.00 51.23 H new ATOM 0 HB2 LEU A 81 -9.103 -11.397 4.194 1.00 22.05 H new ATOM 0 HB3 LEU A 81 -7.467 -11.639 3.616 1.00 22.05 H new ATOM 0 HG LEU A 81 -9.024 -11.878 1.791 1.00 70.02 H new ATOM 0 HD11 LEU A 81 -8.422 -14.130 0.996 1.00 21.32 H new ATOM 0 HD12 LEU A 81 -7.038 -13.304 1.751 1.00 21.32 H new ATOM 0 HD13 LEU A 81 -7.914 -14.571 2.643 1.00 21.32 H new ATOM 0 HD21 LEU A 81 -10.722 -13.665 1.757 1.00 22.21 H new ATOM 0 HD22 LEU A 81 -10.304 -14.086 3.435 1.00 22.21 H new ATOM 0 HD23 LEU A 81 -11.017 -12.498 3.068 1.00 22.21 H new ATOM 1243 N THR A 82 -7.432 -11.632 6.650 1.00 65.30 N ATOM 1244 CA THR A 82 -6.498 -11.052 7.606 1.00 5.04 C ATOM 1245 C THR A 82 -5.902 -12.123 8.512 1.00 23.44 C ATOM 1246 O THR A 82 -4.769 -11.997 8.977 1.00 71.02 O ATOM 1247 CB THR A 82 -7.179 -9.980 8.478 1.00 71.03 C ATOM 1248 OG1 THR A 82 -6.190 -9.204 9.163 1.00 21.44 O ATOM 1249 CG2 THR A 82 -8.118 -10.621 9.488 1.00 15.01 C ATOM 0 H THR A 82 -8.346 -11.179 6.625 1.00 65.30 H new ATOM 0 HA THR A 82 -5.702 -10.586 7.026 1.00 5.04 H new ATOM 0 HB THR A 82 -7.762 -9.329 7.826 1.00 71.03 H new ATOM 0 HG1 THR A 82 -6.631 -8.524 9.714 1.00 21.44 H new ATOM 0 HG21 THR A 82 -8.587 -9.845 10.092 1.00 15.01 H new ATOM 0 HG22 THR A 82 -8.887 -11.186 8.962 1.00 15.01 H new ATOM 0 HG23 THR A 82 -7.553 -11.292 10.135 1.00 15.01 H new ATOM 1257 N MET A 83 -6.672 -13.178 8.759 1.00 24.13 N ATOM 1258 CA MET A 83 -6.218 -14.273 9.609 1.00 63.00 C ATOM 1259 C MET A 83 -5.363 -15.258 8.817 1.00 53.41 C ATOM 1260 O MET A 83 -4.329 -15.722 9.296 1.00 14.13 O ATOM 1261 CB MET A 83 -7.415 -14.999 10.225 1.00 72.44 C ATOM 1262 CG MET A 83 -7.140 -15.558 11.611 1.00 1.23 C ATOM 1263 SD MET A 83 -8.544 -15.370 12.727 1.00 2.11 S ATOM 1264 CE MET A 83 -9.889 -15.902 11.671 1.00 31.42 C ATOM 0 H MET A 83 -7.613 -13.298 8.383 1.00 24.13 H new ATOM 0 HA MET A 83 -5.608 -13.851 10.408 1.00 63.00 H new ATOM 0 HB2 MET A 83 -8.258 -14.310 10.281 1.00 72.44 H new ATOM 0 HB3 MET A 83 -7.713 -15.814 9.566 1.00 72.44 H new ATOM 0 HG2 MET A 83 -6.885 -16.615 11.528 1.00 1.23 H new ATOM 0 HG3 MET A 83 -6.273 -15.053 12.036 1.00 1.23 H new ATOM 0 HE1 MET A 83 -10.683 -16.332 12.282 1.00 31.42 H new ATOM 0 HE2 MET A 83 -10.279 -15.047 11.119 1.00 31.42 H new ATOM 0 HE3 MET A 83 -9.525 -16.652 10.968 1.00 31.42 H new ATOM 1274 N ALA A 84 -5.803 -15.572 7.603 1.00 44.24 N ATOM 1275 CA ALA A 84 -5.077 -16.500 6.744 1.00 1.31 C ATOM 1276 C ALA A 84 -3.650 -16.021 6.500 1.00 1.53 C ATOM 1277 O ALA A 84 -2.700 -16.796 6.599 1.00 64.13 O ATOM 1278 CB ALA A 84 -5.809 -16.678 5.422 1.00 21.32 C ATOM 0 H ALA A 84 -6.658 -15.198 7.192 1.00 44.24 H new ATOM 0 HA ALA A 84 -5.027 -17.463 7.252 1.00 1.31 H new ATOM 0 HB1 ALA A 84 -5.256 -17.373 4.791 1.00 21.32 H new ATOM 0 HB2 ALA A 84 -6.807 -17.073 5.609 1.00 21.32 H new ATOM 0 HB3 ALA A 84 -5.889 -15.715 4.918 1.00 21.32 H new ATOM 1284 N MET A 85 -3.508 -14.738 6.181 1.00 24.33 N ATOM 1285 CA MET A 85 -2.196 -14.156 5.924 1.00 65.32 C ATOM 1286 C MET A 85 -1.300 -14.270 7.153 1.00 3.12 C ATOM 1287 O MET A 85 -0.074 -14.241 7.044 1.00 1.45 O ATOM 1288 CB MET A 85 -2.336 -12.689 5.515 1.00 51.22 C ATOM 1289 CG MET A 85 -3.197 -12.482 4.279 1.00 20.21 C ATOM 1290 SD MET A 85 -2.836 -10.931 3.433 1.00 74.42 S ATOM 1291 CE MET A 85 -1.957 -11.529 1.991 1.00 1.14 C ATOM 0 H MET A 85 -4.285 -14.083 6.094 1.00 24.33 H new ATOM 0 HA MET A 85 -1.734 -14.711 5.107 1.00 65.32 H new ATOM 0 HB2 MET A 85 -2.766 -12.128 6.345 1.00 51.22 H new ATOM 0 HB3 MET A 85 -1.344 -12.276 5.330 1.00 51.22 H new ATOM 0 HG2 MET A 85 -3.042 -13.312 3.590 1.00 20.21 H new ATOM 0 HG3 MET A 85 -4.248 -12.499 4.566 1.00 20.21 H new ATOM 0 HE1 MET A 85 -1.775 -10.701 1.306 1.00 1.14 H new ATOM 0 HE2 MET A 85 -1.005 -11.961 2.299 1.00 1.14 H new ATOM 0 HE3 MET A 85 -2.556 -12.289 1.489 1.00 1.14 H new ATOM 1301 N SER A 86 -1.920 -14.399 8.322 1.00 63.42 N ATOM 1302 CA SER A 86 -1.178 -14.513 9.572 1.00 20.22 C ATOM 1303 C SER A 86 -0.390 -15.819 9.619 1.00 2.33 C ATOM 1304 O SER A 86 0.612 -15.927 10.326 1.00 5.43 O ATOM 1305 CB SER A 86 -2.133 -14.437 10.765 1.00 60.40 C ATOM 1306 OG SER A 86 -1.461 -13.987 11.928 1.00 11.05 O ATOM 0 H SER A 86 -2.934 -14.427 8.429 1.00 63.42 H new ATOM 0 HA SER A 86 -0.474 -13.682 9.625 1.00 20.22 H new ATOM 0 HB2 SER A 86 -2.957 -13.762 10.533 1.00 60.40 H new ATOM 0 HB3 SER A 86 -2.568 -15.419 10.950 1.00 60.40 H new ATOM 0 HG SER A 86 -2.093 -13.946 12.676 1.00 11.05 H new ATOM 1312 N TYR A 87 -0.850 -16.808 8.862 1.00 53.22 N ATOM 1313 CA TYR A 87 -0.191 -18.108 8.818 1.00 11.40 C ATOM 1314 C TYR A 87 0.906 -18.126 7.758 1.00 23.53 C ATOM 1315 O TYR A 87 1.771 -19.002 7.759 1.00 65.30 O ATOM 1316 CB TYR A 87 -1.211 -19.211 8.532 1.00 51.14 C ATOM 1317 CG TYR A 87 -2.300 -19.315 9.575 1.00 10.45 C ATOM 1318 CD1 TYR A 87 -3.427 -18.504 9.516 1.00 44.23 C ATOM 1319 CD2 TYR A 87 -2.203 -20.224 10.621 1.00 25.52 C ATOM 1320 CE1 TYR A 87 -4.423 -18.595 10.468 1.00 54.32 C ATOM 1321 CE2 TYR A 87 -3.195 -20.323 11.577 1.00 72.41 C ATOM 1322 CZ TYR A 87 -4.303 -19.506 11.496 1.00 33.01 C ATOM 1323 OH TYR A 87 -5.295 -19.601 12.446 1.00 42.33 O ATOM 0 H TYR A 87 -1.677 -16.735 8.270 1.00 53.22 H new ATOM 0 HA TYR A 87 0.266 -18.289 9.791 1.00 11.40 H new ATOM 0 HB2 TYR A 87 -1.668 -19.028 7.559 1.00 51.14 H new ATOM 0 HB3 TYR A 87 -0.691 -20.167 8.466 1.00 51.14 H new ATOM 0 HD1 TYR A 87 -3.526 -17.790 8.712 1.00 44.23 H new ATOM 0 HD2 TYR A 87 -1.336 -20.865 10.688 1.00 25.52 H new ATOM 0 HE1 TYR A 87 -5.292 -17.956 10.408 1.00 54.32 H new ATOM 0 HE2 TYR A 87 -3.103 -21.036 12.383 1.00 72.41 H new ATOM 0 HH TYR A 87 -5.057 -20.291 13.100 1.00 42.33 H new ATOM 1333 N VAL A 88 0.864 -17.152 6.855 1.00 61.43 N ATOM 1334 CA VAL A 88 1.855 -17.054 5.789 1.00 33.45 C ATOM 1335 C VAL A 88 3.040 -16.196 6.218 1.00 33.32 C ATOM 1336 O VAL A 88 2.982 -14.968 6.165 1.00 5.43 O ATOM 1337 CB VAL A 88 1.243 -16.461 4.507 1.00 53.23 C ATOM 1338 CG1 VAL A 88 2.264 -16.458 3.380 1.00 41.55 C ATOM 1339 CG2 VAL A 88 -0.004 -17.234 4.105 1.00 54.31 C ATOM 0 H VAL A 88 0.155 -16.419 6.840 1.00 61.43 H new ATOM 0 HA VAL A 88 2.200 -18.067 5.583 1.00 33.45 H new ATOM 0 HB VAL A 88 0.954 -15.429 4.707 1.00 53.23 H new ATOM 0 HG11 VAL A 88 1.813 -16.035 2.482 1.00 41.55 H new ATOM 0 HG12 VAL A 88 3.125 -15.857 3.671 1.00 41.55 H new ATOM 0 HG13 VAL A 88 2.586 -17.480 3.178 1.00 41.55 H new ATOM 0 HG21 VAL A 88 -0.423 -16.801 3.197 1.00 54.31 H new ATOM 0 HG22 VAL A 88 0.257 -18.277 3.923 1.00 54.31 H new ATOM 0 HG23 VAL A 88 -0.740 -17.179 4.907 1.00 54.31 H new ATOM 1349 N LYS A 89 4.115 -16.852 6.643 1.00 14.31 N ATOM 1350 CA LYS A 89 5.316 -16.150 7.080 1.00 31.30 C ATOM 1351 C LYS A 89 6.080 -15.585 5.887 1.00 22.21 C ATOM 1352 O LYS A 89 6.849 -14.634 6.025 1.00 42.31 O ATOM 1353 CB LYS A 89 6.220 -17.093 7.878 1.00 14.33 C ATOM 1354 CG LYS A 89 5.819 -17.229 9.337 1.00 20.00 C ATOM 1355 CD LYS A 89 6.309 -16.051 10.162 1.00 14.12 C ATOM 1356 CE LYS A 89 7.818 -16.090 10.349 1.00 53.34 C ATOM 1357 NZ LYS A 89 8.242 -15.382 11.588 1.00 11.40 N ATOM 0 H LYS A 89 4.179 -17.869 6.694 1.00 14.31 H new ATOM 0 HA LYS A 89 5.011 -15.321 7.719 1.00 31.30 H new ATOM 0 HB2 LYS A 89 6.205 -18.078 7.412 1.00 14.33 H new ATOM 0 HB3 LYS A 89 7.247 -16.731 7.824 1.00 14.33 H new ATOM 0 HG2 LYS A 89 4.734 -17.301 9.412 1.00 20.00 H new ATOM 0 HG3 LYS A 89 6.228 -18.154 9.743 1.00 20.00 H new ATOM 0 HD2 LYS A 89 6.026 -15.119 9.672 1.00 14.12 H new ATOM 0 HD3 LYS A 89 5.820 -16.060 11.136 1.00 14.12 H new ATOM 0 HE2 LYS A 89 8.152 -17.127 10.391 1.00 53.34 H new ATOM 0 HE3 LYS A 89 8.303 -15.634 9.486 1.00 53.34 H new ATOM 0 HZ1 LYS A 89 9.277 -15.431 11.679 1.00 11.40 H new ATOM 0 HZ2 LYS A 89 7.946 -14.386 11.538 1.00 11.40 H new ATOM 0 HZ3 LYS A 89 7.800 -15.833 12.414 1.00 11.40 H new ATOM 1371 N ASP A 90 5.863 -16.176 4.717 1.00 14.13 N ATOM 1372 CA ASP A 90 6.529 -15.729 3.500 1.00 61.45 C ATOM 1373 C ASP A 90 5.699 -14.669 2.783 1.00 10.33 C ATOM 1374 O ASP A 90 4.723 -14.156 3.331 1.00 51.20 O ATOM 1375 CB ASP A 90 6.780 -16.915 2.566 1.00 1.31 C ATOM 1376 CG ASP A 90 7.453 -18.075 3.272 1.00 22.20 C ATOM 1377 OD1 ASP A 90 8.152 -17.832 4.278 1.00 70.50 O ATOM 1378 OD2 ASP A 90 7.282 -19.226 2.818 1.00 21.21 O ATOM 0 H ASP A 90 5.231 -16.966 4.586 1.00 14.13 H new ATOM 0 HA ASP A 90 7.485 -15.287 3.780 1.00 61.45 H new ATOM 0 HB2 ASP A 90 5.832 -17.250 2.146 1.00 1.31 H new ATOM 0 HB3 ASP A 90 7.402 -16.591 1.731 1.00 1.31 H new ATOM 1383 N ASP A 91 6.094 -14.344 1.557 1.00 31.22 N ATOM 1384 CA ASP A 91 5.387 -13.344 0.766 1.00 75.45 C ATOM 1385 C ASP A 91 4.444 -14.009 -0.233 1.00 65.33 C ATOM 1386 O ASP A 91 3.759 -13.332 -1.000 1.00 31.20 O ATOM 1387 CB ASP A 91 6.383 -12.449 0.028 1.00 52.14 C ATOM 1388 CG ASP A 91 7.457 -13.245 -0.688 1.00 53.51 C ATOM 1389 OD1 ASP A 91 7.116 -13.982 -1.636 1.00 55.32 O ATOM 1390 OD2 ASP A 91 8.638 -13.131 -0.299 1.00 43.44 O ATOM 0 H ASP A 91 6.900 -14.759 1.089 1.00 31.22 H new ATOM 0 HA ASP A 91 4.795 -12.731 1.445 1.00 75.45 H new ATOM 0 HB2 ASP A 91 5.848 -11.834 -0.695 1.00 52.14 H new ATOM 0 HB3 ASP A 91 6.852 -11.769 0.739 1.00 52.14 H new ATOM 1395 N ILE A 92 4.417 -15.338 -0.219 1.00 41.41 N ATOM 1396 CA ILE A 92 3.559 -16.093 -1.124 1.00 24.25 C ATOM 1397 C ILE A 92 2.329 -16.627 -0.397 1.00 42.32 C ATOM 1398 O ILE A 92 2.444 -17.316 0.617 1.00 52.33 O ATOM 1399 CB ILE A 92 4.316 -17.273 -1.763 1.00 12.42 C ATOM 1400 CG1 ILE A 92 5.547 -16.768 -2.518 1.00 3.13 C ATOM 1401 CG2 ILE A 92 3.397 -18.048 -2.695 1.00 42.03 C ATOM 1402 CD1 ILE A 92 6.356 -17.872 -3.162 1.00 31.23 C ATOM 0 H ILE A 92 4.979 -15.913 0.408 1.00 41.41 H new ATOM 0 HA ILE A 92 3.245 -15.405 -1.909 1.00 24.25 H new ATOM 0 HB ILE A 92 4.649 -17.944 -0.971 1.00 12.42 H new ATOM 0 HG12 ILE A 92 5.228 -16.066 -3.288 1.00 3.13 H new ATOM 0 HG13 ILE A 92 6.185 -16.216 -1.828 1.00 3.13 H new ATOM 0 HG21 ILE A 92 3.946 -18.879 -3.139 1.00 42.03 H new ATOM 0 HG22 ILE A 92 2.548 -18.434 -2.131 1.00 42.03 H new ATOM 0 HG23 ILE A 92 3.038 -17.387 -3.484 1.00 42.03 H new ATOM 0 HD11 ILE A 92 7.213 -17.441 -3.679 1.00 31.23 H new ATOM 0 HD12 ILE A 92 6.705 -18.562 -2.394 1.00 31.23 H new ATOM 0 HD13 ILE A 92 5.733 -18.410 -3.877 1.00 31.23 H new ATOM 1414 N PHE A 93 1.152 -16.305 -0.924 1.00 2.03 N ATOM 1415 CA PHE A 93 -0.100 -16.752 -0.326 1.00 75.52 C ATOM 1416 C PHE A 93 -0.695 -17.915 -1.116 1.00 1.01 C ATOM 1417 O PHE A 93 -1.189 -17.735 -2.229 1.00 43.11 O ATOM 1418 CB PHE A 93 -1.102 -15.597 -0.265 1.00 72.52 C ATOM 1419 CG PHE A 93 -2.416 -15.975 0.358 1.00 64.42 C ATOM 1420 CD1 PHE A 93 -2.455 -16.703 1.536 1.00 24.03 C ATOM 1421 CD2 PHE A 93 -3.611 -15.603 -0.235 1.00 73.54 C ATOM 1422 CE1 PHE A 93 -3.662 -17.052 2.112 1.00 24.24 C ATOM 1423 CE2 PHE A 93 -4.821 -15.949 0.336 1.00 31.33 C ATOM 1424 CZ PHE A 93 -4.846 -16.676 1.511 1.00 53.41 C ATOM 0 H PHE A 93 1.040 -15.737 -1.763 1.00 2.03 H new ATOM 0 HA PHE A 93 0.112 -17.094 0.687 1.00 75.52 H new ATOM 0 HB2 PHE A 93 -0.663 -14.776 0.302 1.00 72.52 H new ATOM 0 HB3 PHE A 93 -1.281 -15.228 -1.275 1.00 72.52 H new ATOM 0 HD1 PHE A 93 -1.531 -17.001 2.010 1.00 24.03 H new ATOM 0 HD2 PHE A 93 -3.597 -15.036 -1.154 1.00 73.54 H new ATOM 0 HE1 PHE A 93 -3.678 -17.618 3.031 1.00 24.24 H new ATOM 0 HE2 PHE A 93 -5.746 -15.652 -0.135 1.00 31.33 H new ATOM 0 HZ PHE A 93 -5.790 -16.949 1.958 1.00 53.41 H new ATOM 1434 N ARG A 94 -0.643 -19.107 -0.531 1.00 62.44 N ATOM 1435 CA ARG A 94 -1.174 -20.300 -1.180 1.00 61.11 C ATOM 1436 C ARG A 94 -2.636 -20.520 -0.801 1.00 44.11 C ATOM 1437 O ARG A 94 -3.029 -20.302 0.345 1.00 11.02 O ATOM 1438 CB ARG A 94 -0.346 -21.528 -0.795 1.00 50.52 C ATOM 1439 CG ARG A 94 -0.373 -21.838 0.692 1.00 20.34 C ATOM 1440 CD ARG A 94 0.900 -22.540 1.138 1.00 63.20 C ATOM 1441 NE ARG A 94 0.842 -22.941 2.541 1.00 32.50 N ATOM 1442 CZ ARG A 94 1.848 -23.527 3.181 1.00 42.24 C ATOM 1443 NH1 ARG A 94 2.985 -23.777 2.546 1.00 21.31 N ATOM 1444 NH2 ARG A 94 1.719 -23.862 4.458 1.00 73.32 N ATOM 0 H ARG A 94 -0.239 -19.273 0.391 1.00 62.44 H new ATOM 0 HA ARG A 94 -1.114 -20.153 -2.258 1.00 61.11 H new ATOM 0 HB2 ARG A 94 -0.717 -22.393 -1.345 1.00 50.52 H new ATOM 0 HB3 ARG A 94 0.687 -21.372 -1.106 1.00 50.52 H new ATOM 0 HG2 ARG A 94 -0.496 -20.913 1.255 1.00 20.34 H new ATOM 0 HG3 ARG A 94 -1.235 -22.466 0.918 1.00 20.34 H new ATOM 0 HD2 ARG A 94 1.065 -23.420 0.516 1.00 63.20 H new ATOM 0 HD3 ARG A 94 1.752 -21.877 0.986 1.00 63.20 H new ATOM 0 HE ARG A 94 -0.019 -22.761 3.058 1.00 32.50 H new ATOM 0 HH11 ARG A 94 3.088 -23.519 1.565 1.00 21.31 H new ATOM 0 HH12 ARG A 94 3.756 -24.227 3.039 1.00 21.31 H new ATOM 0 HH21 ARG A 94 0.846 -23.670 4.950 1.00 73.32 H new ATOM 0 HH22 ARG A 94 2.492 -24.312 4.948 1.00 73.32 H new ATOM 1458 N ILE A 95 -3.434 -20.952 -1.771 1.00 54.10 N ATOM 1459 CA ILE A 95 -4.852 -21.201 -1.539 1.00 25.44 C ATOM 1460 C ILE A 95 -5.364 -22.331 -2.426 1.00 25.25 C ATOM 1461 O ILE A 95 -4.915 -22.496 -3.560 1.00 42.43 O ATOM 1462 CB ILE A 95 -5.695 -19.939 -1.796 1.00 51.14 C ATOM 1463 CG1 ILE A 95 -5.314 -19.309 -3.138 1.00 25.24 C ATOM 1464 CG2 ILE A 95 -5.512 -18.939 -0.664 1.00 62.14 C ATOM 1465 CD1 ILE A 95 -6.162 -18.112 -3.506 1.00 64.01 C ATOM 0 H ILE A 95 -3.124 -21.137 -2.725 1.00 54.10 H new ATOM 0 HA ILE A 95 -4.955 -21.489 -0.493 1.00 25.44 H new ATOM 0 HB ILE A 95 -6.746 -20.224 -1.835 1.00 51.14 H new ATOM 0 HG12 ILE A 95 -4.268 -19.006 -3.104 1.00 25.24 H new ATOM 0 HG13 ILE A 95 -5.403 -20.061 -3.922 1.00 25.24 H new ATOM 0 HG21 ILE A 95 -6.115 -18.052 -0.861 1.00 62.14 H new ATOM 0 HG22 ILE A 95 -5.828 -19.391 0.276 1.00 62.14 H new ATOM 0 HG23 ILE A 95 -4.462 -18.656 -0.595 1.00 62.14 H new ATOM 0 HD11 ILE A 95 -5.836 -17.717 -4.468 1.00 64.01 H new ATOM 0 HD12 ILE A 95 -7.207 -18.413 -3.573 1.00 64.01 H new ATOM 0 HD13 ILE A 95 -6.055 -17.342 -2.742 1.00 64.01 H new ATOM 1477 N TYR A 96 -6.306 -23.106 -1.901 1.00 75.15 N ATOM 1478 CA TYR A 96 -6.880 -24.221 -2.645 1.00 60.43 C ATOM 1479 C TYR A 96 -8.242 -23.848 -3.223 1.00 64.02 C ATOM 1480 O TYR A 96 -9.208 -23.649 -2.486 1.00 23.30 O ATOM 1481 CB TYR A 96 -7.016 -25.448 -1.742 1.00 21.12 C ATOM 1482 CG TYR A 96 -5.693 -26.088 -1.386 1.00 41.12 C ATOM 1483 CD1 TYR A 96 -4.750 -25.404 -0.628 1.00 61.34 C ATOM 1484 CD2 TYR A 96 -5.385 -27.375 -1.809 1.00 33.24 C ATOM 1485 CE1 TYR A 96 -3.539 -25.984 -0.302 1.00 34.34 C ATOM 1486 CE2 TYR A 96 -4.178 -27.964 -1.485 1.00 51.33 C ATOM 1487 CZ TYR A 96 -3.258 -27.264 -0.732 1.00 34.31 C ATOM 1488 OH TYR A 96 -2.054 -27.847 -0.409 1.00 11.51 O ATOM 0 H TYR A 96 -6.688 -22.983 -0.963 1.00 75.15 H new ATOM 0 HA TYR A 96 -6.208 -24.457 -3.470 1.00 60.43 H new ATOM 0 HB2 TYR A 96 -7.528 -25.158 -0.825 1.00 21.12 H new ATOM 0 HB3 TYR A 96 -7.645 -26.186 -2.239 1.00 21.12 H new ATOM 0 HD1 TYR A 96 -4.967 -24.402 -0.288 1.00 61.34 H new ATOM 0 HD2 TYR A 96 -6.102 -27.925 -2.401 1.00 33.24 H new ATOM 0 HE1 TYR A 96 -2.816 -25.438 0.286 1.00 34.34 H new ATOM 0 HE2 TYR A 96 -3.956 -28.967 -1.819 1.00 51.33 H new ATOM 0 HH TYR A 96 -2.016 -28.750 -0.788 1.00 11.51 H new ATOM 1498 N ILE A 97 -8.310 -23.755 -4.547 1.00 21.41 N ATOM 1499 CA ILE A 97 -9.553 -23.408 -5.225 1.00 4.12 C ATOM 1500 C ILE A 97 -10.371 -24.654 -5.546 1.00 22.14 C ATOM 1501 O ILE A 97 -9.858 -25.617 -6.117 1.00 35.03 O ATOM 1502 CB ILE A 97 -9.285 -22.633 -6.529 1.00 20.51 C ATOM 1503 CG1 ILE A 97 -8.279 -21.507 -6.282 1.00 31.33 C ATOM 1504 CG2 ILE A 97 -10.585 -22.076 -7.090 1.00 63.43 C ATOM 1505 CD1 ILE A 97 -8.705 -20.545 -5.195 1.00 42.32 C ATOM 0 H ILE A 97 -7.519 -23.915 -5.171 1.00 21.41 H new ATOM 0 HA ILE A 97 -10.118 -22.772 -4.543 1.00 4.12 H new ATOM 0 HB ILE A 97 -8.860 -23.319 -7.261 1.00 20.51 H new ATOM 0 HG12 ILE A 97 -7.317 -21.943 -6.014 1.00 31.33 H new ATOM 0 HG13 ILE A 97 -8.131 -20.953 -7.209 1.00 31.33 H new ATOM 0 HG21 ILE A 97 -10.380 -21.531 -8.011 1.00 63.43 H new ATOM 0 HG22 ILE A 97 -11.272 -22.896 -7.299 1.00 63.43 H new ATOM 0 HG23 ILE A 97 -11.036 -21.401 -6.362 1.00 63.43 H new ATOM 0 HD11 ILE A 97 -7.945 -19.773 -5.074 1.00 42.32 H new ATOM 0 HD12 ILE A 97 -9.652 -20.081 -5.470 1.00 42.32 H new ATOM 0 HD13 ILE A 97 -8.825 -21.086 -4.257 1.00 42.32 H new ATOM 1517 N LYS A 98 -11.647 -24.629 -5.176 1.00 2.31 N ATOM 1518 CA LYS A 98 -12.539 -25.754 -5.426 1.00 60.43 C ATOM 1519 C LYS A 98 -13.912 -25.270 -5.882 1.00 2.24 C ATOM 1520 O LYS A 98 -14.534 -24.435 -5.225 1.00 61.43 O ATOM 1521 CB LYS A 98 -12.681 -26.610 -4.165 1.00 43.32 C ATOM 1522 CG LYS A 98 -11.760 -27.818 -4.143 1.00 54.21 C ATOM 1523 CD LYS A 98 -12.273 -28.892 -3.198 1.00 42.13 C ATOM 1524 CE LYS A 98 -11.831 -30.279 -3.639 1.00 50.01 C ATOM 1525 NZ LYS A 98 -12.808 -31.327 -3.233 1.00 25.31 N ATOM 0 H LYS A 98 -12.087 -23.840 -4.701 1.00 2.31 H new ATOM 0 HA LYS A 98 -12.104 -26.359 -6.221 1.00 60.43 H new ATOM 0 HB2 LYS A 98 -12.476 -25.991 -3.291 1.00 43.32 H new ATOM 0 HB3 LYS A 98 -13.713 -26.949 -4.081 1.00 43.32 H new ATOM 0 HG2 LYS A 98 -11.672 -28.229 -5.149 1.00 54.21 H new ATOM 0 HG3 LYS A 98 -10.761 -27.509 -3.837 1.00 54.21 H new ATOM 0 HD2 LYS A 98 -11.908 -28.696 -2.190 1.00 42.13 H new ATOM 0 HD3 LYS A 98 -13.361 -28.852 -3.156 1.00 42.13 H new ATOM 0 HE2 LYS A 98 -11.711 -30.295 -4.722 1.00 50.01 H new ATOM 0 HE3 LYS A 98 -10.856 -30.504 -3.207 1.00 50.01 H new ATOM 0 HZ1 LYS A 98 -12.471 -32.258 -3.552 1.00 25.31 H new ATOM 0 HZ2 LYS A 98 -12.904 -31.329 -2.197 1.00 25.31 H new ATOM 0 HZ3 LYS A 98 -13.732 -31.127 -3.666 1.00 25.31 H new ATOM 1539 N GLU A 99 -14.378 -25.800 -7.008 1.00 41.22 N ATOM 1540 CA GLU A 99 -15.678 -25.421 -7.549 1.00 43.44 C ATOM 1541 C GLU A 99 -16.804 -26.151 -6.823 1.00 64.11 C ATOM 1542 O GLU A 99 -16.752 -27.367 -6.637 1.00 20.10 O ATOM 1543 CB GLU A 99 -15.740 -25.726 -9.047 1.00 50.14 C ATOM 1544 CG GLU A 99 -15.355 -27.154 -9.394 1.00 63.21 C ATOM 1545 CD GLU A 99 -16.490 -27.924 -10.042 1.00 5.23 C ATOM 1546 OE1 GLU A 99 -17.610 -27.907 -9.490 1.00 44.41 O ATOM 1547 OE2 GLU A 99 -16.257 -28.543 -11.101 1.00 22.21 O ATOM 0 H GLU A 99 -13.875 -26.493 -7.563 1.00 41.22 H new ATOM 0 HA GLU A 99 -15.807 -24.349 -7.398 1.00 43.44 H new ATOM 0 HB2 GLU A 99 -16.751 -25.534 -9.407 1.00 50.14 H new ATOM 0 HB3 GLU A 99 -15.077 -25.041 -9.576 1.00 50.14 H new ATOM 0 HG2 GLU A 99 -14.498 -27.142 -10.068 1.00 63.21 H new ATOM 0 HG3 GLU A 99 -15.041 -27.672 -8.488 1.00 63.21 H new ATOM 1554 N LYS A 100 -17.821 -25.400 -6.414 1.00 24.30 N ATOM 1555 CA LYS A 100 -18.961 -25.974 -5.709 1.00 5.15 C ATOM 1556 C LYS A 100 -19.695 -26.980 -6.589 1.00 10.12 C ATOM 1557 O LYS A 100 -20.322 -27.915 -6.090 1.00 13.53 O ATOM 1558 CB LYS A 100 -19.922 -24.868 -5.267 1.00 74.34 C ATOM 1559 CG LYS A 100 -19.387 -24.014 -4.132 1.00 1.43 C ATOM 1560 CD LYS A 100 -20.502 -23.260 -3.427 1.00 54.12 C ATOM 1561 CE LYS A 100 -20.873 -21.987 -4.173 1.00 71.44 C ATOM 1562 NZ LYS A 100 -21.369 -20.928 -3.251 1.00 61.24 N ATOM 0 H LYS A 100 -17.879 -24.392 -6.559 1.00 24.30 H new ATOM 0 HA LYS A 100 -18.587 -26.495 -4.828 1.00 5.15 H new ATOM 0 HB2 LYS A 100 -20.141 -24.227 -6.121 1.00 74.34 H new ATOM 0 HB3 LYS A 100 -20.864 -25.320 -4.957 1.00 74.34 H new ATOM 0 HG2 LYS A 100 -18.864 -24.647 -3.415 1.00 1.43 H new ATOM 0 HG3 LYS A 100 -18.657 -23.305 -4.522 1.00 1.43 H new ATOM 0 HD2 LYS A 100 -21.379 -23.902 -3.342 1.00 54.12 H new ATOM 0 HD3 LYS A 100 -20.189 -23.011 -2.413 1.00 54.12 H new ATOM 0 HE2 LYS A 100 -20.003 -21.618 -4.716 1.00 71.44 H new ATOM 0 HE3 LYS A 100 -21.640 -22.211 -4.915 1.00 71.44 H new ATOM 0 HZ1 LYS A 100 -21.611 -20.077 -3.798 1.00 61.24 H new ATOM 0 HZ2 LYS A 100 -22.214 -21.271 -2.751 1.00 61.24 H new ATOM 0 HZ3 LYS A 100 -20.628 -20.696 -2.559 1.00 61.24 H new TER 1576 LYS A 100