USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.0079) USER MOD Single : A 15 GLN : amide:sc= -0.653 K(o=-0.65,f=-1.5) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0606 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 32 THR OG1 : rot 74:sc= 0.67 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0186 (180deg=-0.229) USER MOD Single : A 38 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.015) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 165:sc= -0.145 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0362 K(o=-0.036,f=-1.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 106:sc= 0.104 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0587) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.530 -0.091 -6.942 1.00 51.55 N ATOM 28 CA HIS A 14 1.370 -0.609 -8.016 1.00 74.34 C ATOM 29 C HIS A 14 0.545 -0.871 -9.273 1.00 35.32 C ATOM 30 O HIS A 14 -0.510 -1.503 -9.213 1.00 1.12 O ATOM 31 CB HIS A 14 2.066 -1.896 -7.572 1.00 13.12 C ATOM 32 CG HIS A 14 1.143 -2.884 -6.927 1.00 3.01 C ATOM 33 ND1 HIS A 14 1.083 -3.079 -5.563 1.00 45.21 N ATOM 34 CD2 HIS A 14 0.239 -3.734 -7.467 1.00 31.11 C ATOM 35 CE1 HIS A 14 0.184 -4.007 -5.292 1.00 74.22 C ATOM 36 NE2 HIS A 14 -0.344 -4.421 -6.430 1.00 42.13 N ATOM 0 HA HIS A 14 2.125 0.142 -8.248 1.00 74.34 H new ATOM 0 HB2 HIS A 14 2.537 -2.362 -8.438 1.00 13.12 H new ATOM 0 HB3 HIS A 14 2.863 -1.645 -6.872 1.00 13.12 H new ATOM 0 HD2 HIS A 14 0.017 -3.851 -8.518 1.00 31.11 H new ATOM 0 HE1 HIS A 14 -0.076 -4.367 -4.307 1.00 74.22 H new ATOM 0 HE2 HIS A 14 -1.067 -5.135 -6.523 1.00 42.13 H new ATOM 44 N GLN A 15 1.032 -0.381 -10.408 1.00 0.01 N ATOM 45 CA GLN A 15 0.338 -0.561 -11.678 1.00 22.44 C ATOM 46 C GLN A 15 1.294 -1.068 -12.753 1.00 51.50 C ATOM 47 O GLN A 15 2.399 -0.548 -12.911 1.00 63.25 O ATOM 48 CB GLN A 15 -0.301 0.754 -12.125 1.00 52.30 C ATOM 49 CG GLN A 15 0.636 1.947 -12.036 1.00 45.52 C ATOM 50 CD GLN A 15 0.662 2.568 -10.653 1.00 62.13 C ATOM 51 OE1 GLN A 15 1.615 2.384 -9.896 1.00 3.25 O ATOM 52 NE2 GLN A 15 -0.388 3.308 -10.316 1.00 44.05 N ATOM 0 H GLN A 15 1.904 0.144 -10.475 1.00 0.01 H new ATOM 0 HA GLN A 15 -0.445 -1.306 -11.534 1.00 22.44 H new ATOM 0 HB2 GLN A 15 -0.646 0.649 -13.154 1.00 52.30 H new ATOM 0 HB3 GLN A 15 -1.181 0.947 -11.512 1.00 52.30 H new ATOM 0 HG2 GLN A 15 1.644 1.633 -12.308 1.00 45.52 H new ATOM 0 HG3 GLN A 15 0.329 2.700 -12.762 1.00 45.52 H new ATOM 0 HE21 GLN A 15 -1.156 3.434 -10.975 1.00 44.05 H new ATOM 0 HE22 GLN A 15 -0.426 3.751 -9.398 1.00 44.05 H new ATOM 61 N THR A 16 0.861 -2.085 -13.491 1.00 23.41 N ATOM 62 CA THR A 16 1.679 -2.663 -14.550 1.00 54.03 C ATOM 63 C THR A 16 0.814 -3.158 -15.704 1.00 52.31 C ATOM 64 O THR A 16 -0.093 -3.968 -15.511 1.00 1.23 O ATOM 65 CB THR A 16 2.533 -3.832 -14.026 1.00 63.42 C ATOM 66 OG1 THR A 16 2.935 -3.579 -12.675 1.00 53.23 O ATOM 67 CG2 THR A 16 3.764 -4.036 -14.897 1.00 2.33 C ATOM 0 H THR A 16 -0.052 -2.526 -13.375 1.00 23.41 H new ATOM 0 HA THR A 16 2.339 -1.872 -14.907 1.00 54.03 H new ATOM 0 HB THR A 16 1.928 -4.738 -14.061 1.00 63.42 H new ATOM 0 HG1 THR A 16 3.476 -4.328 -12.349 1.00 53.23 H new ATOM 0 HG21 THR A 16 4.352 -4.867 -14.507 1.00 2.33 H new ATOM 0 HG22 THR A 16 3.454 -4.258 -15.918 1.00 2.33 H new ATOM 0 HG23 THR A 16 4.369 -3.129 -14.890 1.00 2.33 H new ATOM 75 N VAL A 17 1.100 -2.666 -16.905 1.00 40.04 N ATOM 76 CA VAL A 17 0.349 -3.060 -18.092 1.00 2.25 C ATOM 77 C VAL A 17 1.190 -3.945 -19.005 1.00 54.33 C ATOM 78 O VAL A 17 2.409 -3.796 -19.081 1.00 5.33 O ATOM 79 CB VAL A 17 -0.131 -1.831 -18.886 1.00 13.45 C ATOM 80 CG1 VAL A 17 -1.026 -2.256 -20.039 1.00 74.43 C ATOM 81 CG2 VAL A 17 -0.856 -0.855 -17.970 1.00 25.21 C ATOM 0 H VAL A 17 1.846 -1.994 -17.082 1.00 40.04 H new ATOM 0 HA VAL A 17 -0.519 -3.621 -17.746 1.00 2.25 H new ATOM 0 HB VAL A 17 0.741 -1.326 -19.301 1.00 13.45 H new ATOM 0 HG11 VAL A 17 -1.355 -1.374 -20.588 1.00 74.43 H new ATOM 0 HG12 VAL A 17 -0.470 -2.913 -20.708 1.00 74.43 H new ATOM 0 HG13 VAL A 17 -1.895 -2.786 -19.649 1.00 74.43 H new ATOM 0 HG21 VAL A 17 -1.188 0.008 -18.548 1.00 25.21 H new ATOM 0 HG22 VAL A 17 -1.720 -1.348 -17.524 1.00 25.21 H new ATOM 0 HG23 VAL A 17 -0.180 -0.525 -17.182 1.00 25.21 H new ATOM 91 N TYR A 18 0.529 -4.866 -19.698 1.00 43.44 N ATOM 92 CA TYR A 18 1.216 -5.777 -20.607 1.00 12.44 C ATOM 93 C TYR A 18 0.862 -5.468 -22.058 1.00 40.02 C ATOM 94 O TYR A 18 -0.312 -5.375 -22.417 1.00 61.33 O ATOM 95 CB TYR A 18 0.853 -7.226 -20.279 1.00 24.12 C ATOM 96 CG TYR A 18 0.950 -7.556 -18.806 1.00 63.35 C ATOM 97 CD1 TYR A 18 2.098 -8.134 -18.278 1.00 45.22 C ATOM 98 CD2 TYR A 18 -0.106 -7.292 -17.944 1.00 32.01 C ATOM 99 CE1 TYR A 18 2.191 -8.438 -16.934 1.00 4.02 C ATOM 100 CE2 TYR A 18 -0.022 -7.591 -16.598 1.00 24.40 C ATOM 101 CZ TYR A 18 1.129 -8.164 -16.098 1.00 21.52 C ATOM 102 OH TYR A 18 1.217 -8.466 -14.758 1.00 12.51 O ATOM 0 H TYR A 18 -0.481 -5.002 -19.648 1.00 43.44 H new ATOM 0 HA TYR A 18 2.289 -5.640 -20.477 1.00 12.44 H new ATOM 0 HB2 TYR A 18 -0.163 -7.424 -20.621 1.00 24.12 H new ATOM 0 HB3 TYR A 18 1.512 -7.892 -20.836 1.00 24.12 H new ATOM 0 HD1 TYR A 18 2.932 -8.349 -18.930 1.00 45.22 H new ATOM 0 HD2 TYR A 18 -1.009 -6.845 -18.333 1.00 32.01 H new ATOM 0 HE1 TYR A 18 3.090 -8.888 -16.540 1.00 4.02 H new ATOM 0 HE2 TYR A 18 -0.852 -7.378 -15.941 1.00 24.40 H new ATOM 0 HH TYR A 18 0.384 -8.209 -14.309 1.00 12.51 H new ATOM 112 N VAL A 19 1.887 -5.310 -22.890 1.00 22.34 N ATOM 113 CA VAL A 19 1.687 -5.014 -24.303 1.00 14.10 C ATOM 114 C VAL A 19 2.480 -5.973 -25.184 1.00 2.45 C ATOM 115 O VAL A 19 3.556 -6.435 -24.804 1.00 64.34 O ATOM 116 CB VAL A 19 2.098 -3.568 -24.637 1.00 51.40 C ATOM 117 CG1 VAL A 19 1.723 -3.223 -26.070 1.00 62.34 C ATOM 118 CG2 VAL A 19 1.457 -2.593 -23.661 1.00 11.12 C ATOM 0 H VAL A 19 2.865 -5.382 -22.609 1.00 22.34 H new ATOM 0 HA VAL A 19 0.623 -5.137 -24.504 1.00 14.10 H new ATOM 0 HB VAL A 19 3.181 -3.486 -24.540 1.00 51.40 H new ATOM 0 HG11 VAL A 19 2.021 -2.197 -26.287 1.00 62.34 H new ATOM 0 HG12 VAL A 19 2.233 -3.902 -26.753 1.00 62.34 H new ATOM 0 HG13 VAL A 19 0.645 -3.322 -26.198 1.00 62.34 H new ATOM 0 HG21 VAL A 19 1.758 -1.576 -23.912 1.00 11.12 H new ATOM 0 HG22 VAL A 19 0.372 -2.676 -23.724 1.00 11.12 H new ATOM 0 HG23 VAL A 19 1.781 -2.828 -22.647 1.00 11.12 H new ATOM 128 N LYS A 20 1.942 -6.267 -26.362 1.00 64.22 N ATOM 129 CA LYS A 20 2.600 -7.170 -27.300 1.00 10.23 C ATOM 130 C LYS A 20 4.046 -6.747 -27.538 1.00 61.32 C ATOM 131 O LYS A 20 4.420 -5.590 -27.347 1.00 15.21 O ATOM 132 CB LYS A 20 1.841 -7.200 -28.628 1.00 73.31 C ATOM 133 CG LYS A 20 1.425 -5.826 -29.123 1.00 4.40 C ATOM 134 CD LYS A 20 1.571 -5.709 -30.631 1.00 14.50 C ATOM 135 CE LYS A 20 2.777 -4.864 -31.011 1.00 11.42 C ATOM 136 NZ LYS A 20 3.246 -5.156 -32.394 1.00 33.23 N ATOM 0 H LYS A 20 1.052 -5.893 -26.691 1.00 64.22 H new ATOM 0 HA LYS A 20 2.599 -8.170 -26.865 1.00 10.23 H new ATOM 0 HB2 LYS A 20 2.467 -7.675 -29.384 1.00 73.31 H new ATOM 0 HB3 LYS A 20 0.952 -7.820 -28.515 1.00 73.31 H new ATOM 0 HG2 LYS A 20 0.390 -5.635 -28.841 1.00 4.40 H new ATOM 0 HG3 LYS A 20 2.034 -5.063 -28.637 1.00 4.40 H new ATOM 0 HD2 LYS A 20 1.671 -6.703 -31.066 1.00 14.50 H new ATOM 0 HD3 LYS A 20 0.668 -5.266 -31.052 1.00 14.50 H new ATOM 0 HE2 LYS A 20 2.520 -3.808 -30.930 1.00 11.42 H new ATOM 0 HE3 LYS A 20 3.587 -5.050 -30.306 1.00 11.42 H new ATOM 0 HZ1 LYS A 20 4.069 -4.560 -32.615 1.00 33.23 H new ATOM 0 HZ2 LYS A 20 3.515 -6.158 -32.465 1.00 33.23 H new ATOM 0 HZ3 LYS A 20 2.482 -4.954 -33.070 1.00 33.23 H new ATOM 150 N PRO A 21 4.880 -7.706 -27.967 1.00 45.24 N ATOM 151 CA PRO A 21 6.298 -7.456 -28.243 1.00 43.13 C ATOM 152 C PRO A 21 6.504 -6.587 -29.479 1.00 51.13 C ATOM 153 O PRO A 21 5.590 -6.408 -30.284 1.00 75.10 O ATOM 154 CB PRO A 21 6.867 -8.858 -28.475 1.00 2.03 C ATOM 155 CG PRO A 21 5.703 -9.669 -28.929 1.00 41.24 C ATOM 156 CD PRO A 21 4.504 -9.107 -28.217 1.00 32.41 C ATOM 0 HA PRO A 21 6.781 -6.914 -27.430 1.00 43.13 H new ATOM 0 HB2 PRO A 21 7.657 -8.845 -29.226 1.00 2.03 H new ATOM 0 HB3 PRO A 21 7.301 -9.265 -27.562 1.00 2.03 H new ATOM 0 HG2 PRO A 21 5.580 -9.605 -30.010 1.00 41.24 H new ATOM 0 HG3 PRO A 21 5.843 -10.722 -28.686 1.00 41.24 H new ATOM 0 HD2 PRO A 21 3.604 -9.178 -28.828 1.00 32.41 H new ATOM 0 HD3 PRO A 21 4.302 -9.640 -27.288 1.00 32.41 H new ATOM 164 N VAL A 22 7.711 -6.049 -29.625 1.00 13.32 N ATOM 165 CA VAL A 22 8.037 -5.199 -30.764 1.00 72.41 C ATOM 166 C VAL A 22 8.983 -5.909 -31.726 1.00 23.34 C ATOM 167 O VAL A 22 9.725 -6.817 -31.349 1.00 72.10 O ATOM 168 CB VAL A 22 8.680 -3.875 -30.311 1.00 65.52 C ATOM 169 CG1 VAL A 22 7.630 -2.942 -29.730 1.00 34.13 C ATOM 170 CG2 VAL A 22 9.788 -4.140 -29.302 1.00 52.32 C ATOM 0 H VAL A 22 8.479 -6.187 -28.968 1.00 13.32 H new ATOM 0 HA VAL A 22 7.099 -4.982 -31.276 1.00 72.41 H new ATOM 0 HB VAL A 22 9.121 -3.388 -31.181 1.00 65.52 H new ATOM 0 HG11 VAL A 22 8.104 -2.012 -29.416 1.00 34.13 H new ATOM 0 HG12 VAL A 22 6.875 -2.727 -30.487 1.00 34.13 H new ATOM 0 HG13 VAL A 22 7.157 -3.417 -28.870 1.00 34.13 H new ATOM 0 HG21 VAL A 22 10.232 -3.194 -28.992 1.00 52.32 H new ATOM 0 HG22 VAL A 22 9.373 -4.649 -28.432 1.00 52.32 H new ATOM 0 HG23 VAL A 22 10.553 -4.768 -29.759 1.00 52.32 H new ATOM 180 N PRO A 23 8.960 -5.487 -32.999 1.00 32.15 N ATOM 181 CA PRO A 23 9.811 -6.068 -34.041 1.00 71.20 C ATOM 182 C PRO A 23 11.283 -5.719 -33.849 1.00 52.34 C ATOM 183 O PRO A 23 11.641 -4.852 -33.052 1.00 1.12 O ATOM 184 CB PRO A 23 9.275 -5.438 -35.329 1.00 11.32 C ATOM 185 CG PRO A 23 8.654 -4.156 -34.893 1.00 1.51 C ATOM 186 CD PRO A 23 8.101 -4.410 -33.518 1.00 0.41 C ATOM 0 HA PRO A 23 9.775 -7.157 -34.036 1.00 71.20 H new ATOM 0 HB2 PRO A 23 10.076 -5.266 -36.048 1.00 11.32 H new ATOM 0 HB3 PRO A 23 8.545 -6.087 -35.813 1.00 11.32 H new ATOM 0 HG2 PRO A 23 9.390 -3.352 -34.875 1.00 1.51 H new ATOM 0 HG3 PRO A 23 7.865 -3.851 -35.581 1.00 1.51 H new ATOM 0 HD2 PRO A 23 8.153 -3.518 -32.893 1.00 0.41 H new ATOM 0 HD3 PRO A 23 7.055 -4.713 -33.555 1.00 0.41 H new ATOM 194 N PRO A 24 12.158 -6.407 -34.597 1.00 74.43 N ATOM 195 CA PRO A 24 13.605 -6.186 -34.528 1.00 0.11 C ATOM 196 C PRO A 24 14.014 -4.839 -35.114 1.00 62.24 C ATOM 197 O PRO A 24 15.111 -4.343 -34.854 1.00 20.55 O ATOM 198 CB PRO A 24 14.180 -7.331 -35.366 1.00 13.23 C ATOM 199 CG PRO A 24 13.087 -7.694 -36.311 1.00 31.11 C ATOM 200 CD PRO A 24 11.801 -7.455 -35.569 1.00 1.02 C ATOM 0 HA PRO A 24 13.966 -6.170 -33.500 1.00 0.11 H new ATOM 0 HB2 PRO A 24 15.078 -7.019 -35.900 1.00 13.23 H new ATOM 0 HB3 PRO A 24 14.460 -8.178 -34.740 1.00 13.23 H new ATOM 0 HG2 PRO A 24 13.135 -7.086 -37.215 1.00 31.11 H new ATOM 0 HG3 PRO A 24 13.170 -8.735 -36.622 1.00 31.11 H new ATOM 0 HD2 PRO A 24 11.005 -7.128 -36.239 1.00 1.02 H new ATOM 0 HD3 PRO A 24 11.449 -8.360 -35.073 1.00 1.02 H new ATOM 208 N THR A 25 13.125 -4.250 -35.908 1.00 45.14 N ATOM 209 CA THR A 25 13.394 -2.961 -36.532 1.00 45.45 C ATOM 210 C THR A 25 13.101 -1.813 -35.573 1.00 32.32 C ATOM 211 O THR A 25 13.833 -0.825 -35.529 1.00 71.13 O ATOM 212 CB THR A 25 12.559 -2.771 -37.813 1.00 11.15 C ATOM 213 OG1 THR A 25 12.838 -3.825 -38.741 1.00 4.23 O ATOM 214 CG2 THR A 25 12.857 -1.427 -38.459 1.00 42.41 C ATOM 0 H THR A 25 12.212 -4.646 -36.134 1.00 45.14 H new ATOM 0 HA THR A 25 14.452 -2.952 -36.792 1.00 45.45 H new ATOM 0 HB THR A 25 11.504 -2.799 -37.540 1.00 11.15 H new ATOM 0 HG1 THR A 25 12.302 -3.698 -39.551 1.00 4.23 H new ATOM 0 HG21 THR A 25 12.256 -1.316 -39.361 1.00 42.41 H new ATOM 0 HG22 THR A 25 12.615 -0.626 -37.761 1.00 42.41 H new ATOM 0 HG23 THR A 25 13.914 -1.375 -38.719 1.00 42.41 H new ATOM 222 N ALA A 26 12.025 -1.951 -34.804 1.00 63.33 N ATOM 223 CA ALA A 26 11.637 -0.927 -33.843 1.00 13.11 C ATOM 224 C ALA A 26 12.714 -0.733 -32.781 1.00 62.43 C ATOM 225 O ALA A 26 12.926 -1.599 -31.931 1.00 12.42 O ATOM 226 CB ALA A 26 10.311 -1.290 -33.192 1.00 34.35 C ATOM 0 H ALA A 26 11.407 -2.762 -34.829 1.00 63.33 H new ATOM 0 HA ALA A 26 11.520 0.014 -34.380 1.00 13.11 H new ATOM 0 HB1 ALA A 26 10.033 -0.516 -32.476 1.00 34.35 H new ATOM 0 HB2 ALA A 26 9.539 -1.370 -33.958 1.00 34.35 H new ATOM 0 HB3 ALA A 26 10.409 -2.244 -32.675 1.00 34.35 H new ATOM 232 N THR A 27 13.395 0.407 -32.836 1.00 53.53 N ATOM 233 CA THR A 27 14.452 0.714 -31.881 1.00 33.31 C ATOM 234 C THR A 27 13.886 1.370 -30.627 1.00 1.12 C ATOM 235 O THR A 27 12.704 1.712 -30.572 1.00 1.22 O ATOM 236 CB THR A 27 15.515 1.642 -32.498 1.00 13.43 C ATOM 237 OG1 THR A 27 14.880 2.673 -33.264 1.00 22.45 O ATOM 238 CG2 THR A 27 16.469 0.858 -33.386 1.00 12.02 C ATOM 0 H THR A 27 13.233 1.134 -33.533 1.00 53.53 H new ATOM 0 HA THR A 27 14.920 -0.233 -31.612 1.00 33.31 H new ATOM 0 HB THR A 27 16.087 2.092 -31.687 1.00 13.43 H new ATOM 0 HG1 THR A 27 15.562 3.260 -33.652 1.00 22.45 H new ATOM 0 HG21 THR A 27 17.210 1.535 -33.810 1.00 12.02 H new ATOM 0 HG22 THR A 27 16.972 0.094 -32.794 1.00 12.02 H new ATOM 0 HG23 THR A 27 15.909 0.383 -34.191 1.00 12.02 H new ATOM 246 N LEU A 28 14.736 1.544 -29.621 1.00 44.11 N ATOM 247 CA LEU A 28 14.321 2.161 -28.366 1.00 41.11 C ATOM 248 C LEU A 28 13.954 3.627 -28.575 1.00 62.12 C ATOM 249 O LEU A 28 12.922 4.092 -28.094 1.00 54.24 O ATOM 250 CB LEU A 28 15.436 2.046 -27.325 1.00 11.10 C ATOM 251 CG LEU A 28 14.984 1.899 -25.872 1.00 23.24 C ATOM 252 CD1 LEU A 28 16.080 1.257 -25.035 1.00 0.14 C ATOM 253 CD2 LEU A 28 14.593 3.252 -25.295 1.00 23.42 C ATOM 0 H LEU A 28 15.717 1.266 -29.650 1.00 44.11 H new ATOM 0 HA LEU A 28 13.439 1.633 -28.004 1.00 41.11 H new ATOM 0 HB2 LEU A 28 16.057 1.187 -27.580 1.00 11.10 H new ATOM 0 HB3 LEU A 28 16.069 2.930 -27.400 1.00 11.10 H new ATOM 0 HG LEU A 28 14.109 1.250 -25.848 1.00 23.24 H new ATOM 0 HD11 LEU A 28 15.741 1.160 -24.004 1.00 0.14 H new ATOM 0 HD12 LEU A 28 16.312 0.270 -25.435 1.00 0.14 H new ATOM 0 HD13 LEU A 28 16.974 1.880 -25.066 1.00 0.14 H new ATOM 0 HD21 LEU A 28 14.274 3.128 -24.260 1.00 23.42 H new ATOM 0 HD22 LEU A 28 15.450 3.925 -25.332 1.00 23.42 H new ATOM 0 HD23 LEU A 28 13.775 3.674 -25.879 1.00 23.42 H new ATOM 265 N GLU A 29 14.806 4.348 -29.297 1.00 64.22 N ATOM 266 CA GLU A 29 14.570 5.760 -29.571 1.00 1.42 C ATOM 267 C GLU A 29 13.282 5.953 -30.367 1.00 23.53 C ATOM 268 O GLU A 29 12.525 6.891 -30.123 1.00 14.05 O ATOM 269 CB GLU A 29 15.751 6.359 -30.338 1.00 71.43 C ATOM 270 CG GLU A 29 15.921 7.853 -30.125 1.00 4.35 C ATOM 271 CD GLU A 29 17.343 8.231 -29.756 1.00 12.44 C ATOM 272 OE1 GLU A 29 17.661 8.232 -28.548 1.00 2.31 O ATOM 273 OE2 GLU A 29 18.136 8.527 -30.673 1.00 61.45 O ATOM 0 H GLU A 29 15.665 3.977 -29.702 1.00 64.22 H new ATOM 0 HA GLU A 29 14.467 6.276 -28.616 1.00 1.42 H new ATOM 0 HB2 GLU A 29 16.666 5.851 -30.034 1.00 71.43 H new ATOM 0 HB3 GLU A 29 15.618 6.165 -31.402 1.00 71.43 H new ATOM 0 HG2 GLU A 29 15.633 8.381 -31.034 1.00 4.35 H new ATOM 0 HG3 GLU A 29 15.245 8.183 -29.336 1.00 4.35 H new ATOM 280 N GLN A 30 13.043 5.057 -31.319 1.00 62.02 N ATOM 281 CA GLN A 30 11.848 5.129 -32.152 1.00 23.42 C ATOM 282 C GLN A 30 10.593 4.864 -31.327 1.00 22.02 C ATOM 283 O GLN A 30 9.625 5.623 -31.389 1.00 2.24 O ATOM 284 CB GLN A 30 11.940 4.122 -33.300 1.00 30.01 C ATOM 285 CG GLN A 30 11.055 4.470 -34.486 1.00 62.21 C ATOM 286 CD GLN A 30 11.832 4.572 -35.784 1.00 5.44 C ATOM 287 OE1 GLN A 30 12.610 3.682 -36.127 1.00 22.41 O ATOM 288 NE2 GLN A 30 11.626 5.662 -36.513 1.00 52.52 N ATOM 0 H GLN A 30 13.660 4.273 -31.533 1.00 62.02 H new ATOM 0 HA GLN A 30 11.783 6.136 -32.565 1.00 23.42 H new ATOM 0 HB2 GLN A 30 12.975 4.060 -33.636 1.00 30.01 H new ATOM 0 HB3 GLN A 30 11.665 3.135 -32.929 1.00 30.01 H new ATOM 0 HG2 GLN A 30 10.279 3.712 -34.590 1.00 62.21 H new ATOM 0 HG3 GLN A 30 10.551 5.417 -34.293 1.00 62.21 H new ATOM 0 HE21 GLN A 30 10.972 6.375 -36.191 1.00 52.52 H new ATOM 0 HE22 GLN A 30 12.122 5.787 -37.396 1.00 52.52 H new ATOM 297 N LEU A 31 10.616 3.783 -30.555 1.00 73.11 N ATOM 298 CA LEU A 31 9.479 3.417 -29.717 1.00 50.31 C ATOM 299 C LEU A 31 9.100 4.563 -28.784 1.00 74.21 C ATOM 300 O LEU A 31 7.935 4.954 -28.705 1.00 14.32 O ATOM 301 CB LEU A 31 9.804 2.165 -28.900 1.00 40.53 C ATOM 302 CG LEU A 31 8.820 1.003 -29.034 1.00 22.32 C ATOM 303 CD1 LEU A 31 9.204 -0.132 -28.096 1.00 50.34 C ATOM 304 CD2 LEU A 31 7.400 1.471 -28.754 1.00 13.14 C ATOM 0 H LEU A 31 11.409 3.145 -30.492 1.00 73.11 H new ATOM 0 HA LEU A 31 8.631 3.207 -30.369 1.00 50.31 H new ATOM 0 HB2 LEU A 31 10.794 1.812 -29.191 1.00 40.53 H new ATOM 0 HB3 LEU A 31 9.862 2.446 -27.849 1.00 40.53 H new ATOM 0 HG LEU A 31 8.863 0.632 -30.058 1.00 22.32 H new ATOM 0 HD11 LEU A 31 8.493 -0.951 -28.205 1.00 50.34 H new ATOM 0 HD12 LEU A 31 10.205 -0.486 -28.344 1.00 50.34 H new ATOM 0 HD13 LEU A 31 9.190 0.226 -27.067 1.00 50.34 H new ATOM 0 HD21 LEU A 31 6.713 0.630 -28.854 1.00 13.14 H new ATOM 0 HD22 LEU A 31 7.341 1.869 -27.741 1.00 13.14 H new ATOM 0 HD23 LEU A 31 7.126 2.250 -29.466 1.00 13.14 H new ATOM 316 N THR A 32 10.091 5.099 -28.080 1.00 5.03 N ATOM 317 CA THR A 32 9.863 6.200 -27.153 1.00 54.41 C ATOM 318 C THR A 32 9.327 7.428 -27.880 1.00 55.21 C ATOM 319 O THR A 32 8.403 8.087 -27.405 1.00 14.41 O ATOM 320 CB THR A 32 11.154 6.583 -26.406 1.00 11.43 C ATOM 321 OG1 THR A 32 11.736 5.421 -25.806 1.00 30.31 O ATOM 322 CG2 THR A 32 10.870 7.625 -25.334 1.00 41.00 C ATOM 0 H THR A 32 11.061 4.788 -28.134 1.00 5.03 H new ATOM 0 HA THR A 32 9.123 5.856 -26.430 1.00 54.41 H new ATOM 0 HB THR A 32 11.852 7.007 -27.127 1.00 11.43 H new ATOM 0 HG1 THR A 32 12.146 4.865 -26.501 1.00 30.31 H new ATOM 0 HG21 THR A 32 11.797 7.880 -24.820 1.00 41.00 H new ATOM 0 HG22 THR A 32 10.454 8.520 -25.797 1.00 41.00 H new ATOM 0 HG23 THR A 32 10.155 7.223 -24.616 1.00 41.00 H new ATOM 330 N GLU A 33 9.912 7.729 -29.035 1.00 41.11 N ATOM 331 CA GLU A 33 9.492 8.879 -29.827 1.00 52.01 C ATOM 332 C GLU A 33 7.996 8.818 -30.124 1.00 62.20 C ATOM 333 O GLU A 33 7.254 9.754 -29.826 1.00 71.20 O ATOM 334 CB GLU A 33 10.281 8.940 -31.137 1.00 13.13 C ATOM 335 CG GLU A 33 10.009 10.192 -31.953 1.00 51.42 C ATOM 336 CD GLU A 33 11.030 11.285 -31.703 1.00 0.11 C ATOM 337 OE1 GLU A 33 11.470 11.921 -32.684 1.00 13.34 O ATOM 338 OE2 GLU A 33 11.390 11.504 -30.527 1.00 74.03 O ATOM 0 H GLU A 33 10.678 7.193 -29.443 1.00 41.11 H new ATOM 0 HA GLU A 33 9.694 9.780 -29.248 1.00 52.01 H new ATOM 0 HB2 GLU A 33 11.346 8.887 -30.913 1.00 13.13 H new ATOM 0 HB3 GLU A 33 10.038 8.064 -31.739 1.00 13.13 H new ATOM 0 HG2 GLU A 33 10.007 9.937 -33.013 1.00 51.42 H new ATOM 0 HG3 GLU A 33 9.014 10.568 -31.714 1.00 51.42 H new ATOM 345 N PHE A 34 7.561 7.709 -30.714 1.00 11.33 N ATOM 346 CA PHE A 34 6.155 7.525 -31.053 1.00 14.41 C ATOM 347 C PHE A 34 5.281 7.584 -29.803 1.00 4.21 C ATOM 348 O PHE A 34 4.203 8.178 -29.813 1.00 1.24 O ATOM 349 CB PHE A 34 5.951 6.188 -31.768 1.00 43.34 C ATOM 350 CG PHE A 34 6.198 6.257 -33.248 1.00 65.34 C ATOM 351 CD1 PHE A 34 7.363 6.820 -33.744 1.00 62.23 C ATOM 352 CD2 PHE A 34 5.266 5.758 -34.144 1.00 13.44 C ATOM 353 CE1 PHE A 34 7.594 6.884 -35.106 1.00 21.04 C ATOM 354 CE2 PHE A 34 5.491 5.819 -35.506 1.00 2.42 C ATOM 355 CZ PHE A 34 6.656 6.384 -35.987 1.00 62.05 C ATOM 0 H PHE A 34 8.162 6.925 -30.967 1.00 11.33 H new ATOM 0 HA PHE A 34 5.860 8.335 -31.720 1.00 14.41 H new ATOM 0 HB2 PHE A 34 6.618 5.445 -31.330 1.00 43.34 H new ATOM 0 HB3 PHE A 34 4.932 5.843 -31.593 1.00 43.34 H new ATOM 0 HD1 PHE A 34 8.099 7.213 -33.059 1.00 62.23 H new ATOM 0 HD2 PHE A 34 4.353 5.316 -33.773 1.00 13.44 H new ATOM 0 HE1 PHE A 34 8.507 7.324 -35.480 1.00 21.04 H new ATOM 0 HE2 PHE A 34 4.757 5.425 -36.193 1.00 2.42 H new ATOM 0 HZ PHE A 34 6.833 6.435 -37.051 1.00 62.05 H new ATOM 365 N PHE A 35 5.755 6.963 -28.728 1.00 21.11 N ATOM 366 CA PHE A 35 5.018 6.942 -27.470 1.00 11.41 C ATOM 367 C PHE A 35 4.668 8.358 -27.022 1.00 13.34 C ATOM 368 O PHE A 35 3.506 8.668 -26.758 1.00 30.14 O ATOM 369 CB PHE A 35 5.838 6.240 -26.385 1.00 55.04 C ATOM 370 CG PHE A 35 5.338 4.863 -26.054 1.00 13.03 C ATOM 371 CD1 PHE A 35 4.713 4.611 -24.843 1.00 10.31 C ATOM 372 CD2 PHE A 35 5.493 3.820 -26.953 1.00 1.13 C ATOM 373 CE1 PHE A 35 4.251 3.345 -24.535 1.00 5.43 C ATOM 374 CE2 PHE A 35 5.033 2.552 -26.650 1.00 43.42 C ATOM 375 CZ PHE A 35 4.413 2.314 -25.439 1.00 51.43 C ATOM 0 H PHE A 35 6.646 6.468 -28.703 1.00 21.11 H new ATOM 0 HA PHE A 35 4.092 6.390 -27.629 1.00 11.41 H new ATOM 0 HB2 PHE A 35 6.876 6.173 -26.711 1.00 55.04 H new ATOM 0 HB3 PHE A 35 5.827 6.849 -25.481 1.00 55.04 H new ATOM 0 HD1 PHE A 35 4.585 5.413 -24.131 1.00 10.31 H new ATOM 0 HD2 PHE A 35 5.979 4.000 -27.901 1.00 1.13 H new ATOM 0 HE1 PHE A 35 3.764 3.163 -23.588 1.00 5.43 H new ATOM 0 HE2 PHE A 35 5.158 1.748 -27.360 1.00 43.42 H new ATOM 0 HZ PHE A 35 4.056 1.323 -25.200 1.00 51.43 H new ATOM 385 N SER A 36 5.682 9.214 -26.938 1.00 34.25 N ATOM 386 CA SER A 36 5.483 10.596 -26.517 1.00 72.20 C ATOM 387 C SER A 36 4.487 11.304 -27.431 1.00 32.33 C ATOM 388 O SER A 36 3.678 12.114 -26.978 1.00 34.31 O ATOM 389 CB SER A 36 6.815 11.348 -26.516 1.00 62.34 C ATOM 390 OG SER A 36 6.661 12.658 -26.000 1.00 51.32 O ATOM 0 H SER A 36 6.649 8.975 -27.156 1.00 34.25 H new ATOM 0 HA SER A 36 5.078 10.587 -25.505 1.00 72.20 H new ATOM 0 HB2 SER A 36 7.544 10.802 -25.918 1.00 62.34 H new ATOM 0 HB3 SER A 36 7.209 11.398 -27.531 1.00 62.34 H new ATOM 0 HG SER A 36 7.527 13.117 -26.009 1.00 51.32 H new ATOM 396 N LYS A 37 4.552 10.992 -28.721 1.00 2.14 N ATOM 397 CA LYS A 37 3.657 11.596 -29.700 1.00 72.34 C ATOM 398 C LYS A 37 2.198 11.349 -29.329 1.00 61.32 C ATOM 399 O LYS A 37 1.341 12.209 -29.532 1.00 40.34 O ATOM 400 CB LYS A 37 3.941 11.035 -31.095 1.00 61.55 C ATOM 401 CG LYS A 37 3.654 12.018 -32.217 1.00 34.12 C ATOM 402 CD LYS A 37 3.058 11.322 -33.429 1.00 41.34 C ATOM 403 CE LYS A 37 4.138 10.890 -34.410 1.00 34.43 C ATOM 404 NZ LYS A 37 4.755 12.053 -35.105 1.00 15.23 N ATOM 0 H LYS A 37 5.216 10.324 -29.113 1.00 2.14 H new ATOM 0 HA LYS A 37 3.836 12.671 -29.704 1.00 72.34 H new ATOM 0 HB2 LYS A 37 4.986 10.730 -31.149 1.00 61.55 H new ATOM 0 HB3 LYS A 37 3.340 10.139 -31.246 1.00 61.55 H new ATOM 0 HG2 LYS A 37 2.966 12.786 -31.862 1.00 34.12 H new ATOM 0 HG3 LYS A 37 4.576 12.524 -32.504 1.00 34.12 H new ATOM 0 HD2 LYS A 37 2.488 10.451 -33.106 1.00 41.34 H new ATOM 0 HD3 LYS A 37 2.359 11.993 -33.928 1.00 41.34 H new ATOM 0 HE2 LYS A 37 4.910 10.334 -33.878 1.00 34.43 H new ATOM 0 HE3 LYS A 37 3.708 10.213 -35.148 1.00 34.43 H new ATOM 0 HZ1 LYS A 37 5.220 11.729 -35.977 1.00 15.23 H new ATOM 0 HZ2 LYS A 37 4.017 12.747 -35.343 1.00 15.23 H new ATOM 0 HZ3 LYS A 37 5.459 12.497 -34.481 1.00 15.23 H new ATOM 418 N HIS A 38 1.923 10.169 -28.783 1.00 32.44 N ATOM 419 CA HIS A 38 0.567 9.810 -28.381 1.00 23.31 C ATOM 420 C HIS A 38 0.585 8.923 -27.139 1.00 65.15 C ATOM 421 O HIS A 38 1.051 7.785 -27.184 1.00 4.21 O ATOM 422 CB HIS A 38 -0.153 9.093 -29.523 1.00 41.04 C ATOM 423 CG HIS A 38 -1.642 9.062 -29.367 1.00 31.14 C ATOM 424 ND1 HIS A 38 -2.513 9.158 -30.431 1.00 51.33 N ATOM 425 CD2 HIS A 38 -2.414 8.943 -28.261 1.00 24.51 C ATOM 426 CE1 HIS A 38 -3.756 9.101 -29.987 1.00 41.41 C ATOM 427 NE2 HIS A 38 -3.723 8.970 -28.673 1.00 72.02 N ATOM 0 H HIS A 38 2.620 9.445 -28.609 1.00 32.44 H new ATOM 0 HA HIS A 38 0.030 10.728 -28.143 1.00 23.31 H new ATOM 0 HB2 HIS A 38 0.095 9.585 -30.464 1.00 41.04 H new ATOM 0 HB3 HIS A 38 0.218 8.070 -29.590 1.00 41.04 H new ATOM 0 HD2 HIS A 38 -2.065 8.845 -27.244 1.00 24.51 H new ATOM 0 HE1 HIS A 38 -4.647 9.153 -30.595 1.00 41.41 H new ATOM 0 HE2 HIS A 38 -4.538 8.900 -28.064 1.00 72.02 H new ATOM 435 N GLY A 39 0.075 9.453 -26.032 1.00 24.12 N ATOM 436 CA GLY A 39 0.044 8.696 -24.794 1.00 13.22 C ATOM 437 C GLY A 39 1.186 9.057 -23.865 1.00 34.15 C ATOM 438 O GLY A 39 2.326 9.217 -24.302 1.00 32.25 O ATOM 0 H GLY A 39 -0.317 10.393 -25.970 1.00 24.12 H new ATOM 0 HA2 GLY A 39 -0.904 8.875 -24.286 1.00 13.22 H new ATOM 0 HA3 GLY A 39 0.088 7.631 -25.022 1.00 13.22 H new ATOM 442 N THR A 40 0.880 9.187 -22.577 1.00 43.51 N ATOM 443 CA THR A 40 1.889 9.535 -21.584 1.00 32.41 C ATOM 444 C THR A 40 2.182 8.356 -20.663 1.00 30.21 C ATOM 445 O THR A 40 1.320 7.924 -19.897 1.00 61.22 O ATOM 446 CB THR A 40 1.447 10.739 -20.732 1.00 50.50 C ATOM 447 OG1 THR A 40 0.640 11.625 -21.517 1.00 23.21 O ATOM 448 CG2 THR A 40 2.654 11.491 -20.190 1.00 73.23 C ATOM 0 H THR A 40 -0.058 9.057 -22.198 1.00 43.51 H new ATOM 0 HA THR A 40 2.794 9.800 -22.132 1.00 32.41 H new ATOM 0 HB THR A 40 0.863 10.366 -19.891 1.00 50.50 H new ATOM 0 HG1 THR A 40 0.362 12.387 -20.968 1.00 23.21 H new ATOM 0 HG21 THR A 40 2.317 12.337 -19.591 1.00 73.23 H new ATOM 0 HG22 THR A 40 3.251 10.822 -19.569 1.00 73.23 H new ATOM 0 HG23 THR A 40 3.260 11.853 -21.020 1.00 73.23 H new ATOM 456 N VAL A 41 3.404 7.839 -20.741 1.00 42.13 N ATOM 457 CA VAL A 41 3.812 6.711 -19.913 1.00 32.41 C ATOM 458 C VAL A 41 4.971 7.091 -18.998 1.00 74.31 C ATOM 459 O VAL A 41 5.800 7.930 -19.348 1.00 13.35 O ATOM 460 CB VAL A 41 4.227 5.503 -20.774 1.00 52.12 C ATOM 461 CG1 VAL A 41 3.046 4.996 -21.588 1.00 12.13 C ATOM 462 CG2 VAL A 41 5.391 5.871 -21.682 1.00 11.35 C ATOM 0 H VAL A 41 4.129 8.184 -21.370 1.00 42.13 H new ATOM 0 HA VAL A 41 2.949 6.436 -19.306 1.00 32.41 H new ATOM 0 HB VAL A 41 4.552 4.701 -20.111 1.00 52.12 H new ATOM 0 HG11 VAL A 41 3.358 4.143 -22.190 1.00 12.13 H new ATOM 0 HG12 VAL A 41 2.244 4.691 -20.915 1.00 12.13 H new ATOM 0 HG13 VAL A 41 2.688 5.790 -22.243 1.00 12.13 H new ATOM 0 HG21 VAL A 41 5.671 5.006 -22.283 1.00 11.35 H new ATOM 0 HG22 VAL A 41 5.095 6.689 -22.339 1.00 11.35 H new ATOM 0 HG23 VAL A 41 6.241 6.182 -21.075 1.00 11.35 H new ATOM 472 N GLN A 42 5.021 6.466 -17.826 1.00 2.42 N ATOM 473 CA GLN A 42 6.079 6.740 -16.860 1.00 61.13 C ATOM 474 C GLN A 42 7.389 6.085 -17.288 1.00 13.43 C ATOM 475 O GLN A 42 8.407 6.758 -17.444 1.00 65.44 O ATOM 476 CB GLN A 42 5.674 6.239 -15.473 1.00 1.32 C ATOM 477 CG GLN A 42 6.193 7.107 -14.338 1.00 25.45 C ATOM 478 CD GLN A 42 6.897 6.302 -13.263 1.00 64.50 C ATOM 479 OE1 GLN A 42 8.125 6.205 -13.247 1.00 51.41 O ATOM 480 NE2 GLN A 42 6.122 5.718 -12.357 1.00 31.40 N ATOM 0 H GLN A 42 4.342 5.768 -17.523 1.00 2.42 H new ATOM 0 HA GLN A 42 6.229 7.819 -16.819 1.00 61.13 H new ATOM 0 HB2 GLN A 42 4.587 6.192 -15.416 1.00 1.32 H new ATOM 0 HB3 GLN A 42 6.044 5.222 -15.341 1.00 1.32 H new ATOM 0 HG2 GLN A 42 6.882 7.850 -14.740 1.00 25.45 H new ATOM 0 HG3 GLN A 42 5.361 7.652 -13.892 1.00 25.45 H new ATOM 0 HE21 GLN A 42 5.109 5.824 -12.408 1.00 31.40 H new ATOM 0 HE22 GLN A 42 6.540 5.163 -11.610 1.00 31.40 H new ATOM 489 N ALA A 43 7.354 4.770 -17.474 1.00 52.03 N ATOM 490 CA ALA A 43 8.537 4.025 -17.885 1.00 44.11 C ATOM 491 C ALA A 43 8.153 2.719 -18.573 1.00 0.43 C ATOM 492 O ALA A 43 6.993 2.307 -18.541 1.00 5.13 O ATOM 493 CB ALA A 43 9.430 3.749 -16.684 1.00 62.25 C ATOM 0 H ALA A 43 6.519 4.198 -17.347 1.00 52.03 H new ATOM 0 HA ALA A 43 9.088 4.633 -18.602 1.00 44.11 H new ATOM 0 HB1 ALA A 43 10.310 3.192 -17.005 1.00 62.25 H new ATOM 0 HB2 ALA A 43 9.741 4.693 -16.238 1.00 62.25 H new ATOM 0 HB3 ALA A 43 8.879 3.164 -15.948 1.00 62.25 H new ATOM 499 N VAL A 44 9.134 2.073 -19.195 1.00 34.41 N ATOM 500 CA VAL A 44 8.898 0.813 -19.890 1.00 72.12 C ATOM 501 C VAL A 44 10.133 -0.079 -19.845 1.00 21.43 C ATOM 502 O VAL A 44 11.264 0.407 -19.877 1.00 34.55 O ATOM 503 CB VAL A 44 8.502 1.049 -21.360 1.00 21.40 C ATOM 504 CG1 VAL A 44 9.591 1.820 -22.089 1.00 44.13 C ATOM 505 CG2 VAL A 44 8.219 -0.275 -22.054 1.00 21.21 C ATOM 0 H VAL A 44 10.099 2.401 -19.232 1.00 34.41 H new ATOM 0 HA VAL A 44 8.076 0.316 -19.375 1.00 72.12 H new ATOM 0 HB VAL A 44 7.591 1.647 -21.381 1.00 21.40 H new ATOM 0 HG11 VAL A 44 9.294 1.977 -23.126 1.00 44.13 H new ATOM 0 HG12 VAL A 44 9.741 2.785 -21.604 1.00 44.13 H new ATOM 0 HG13 VAL A 44 10.521 1.252 -22.060 1.00 44.13 H new ATOM 0 HG21 VAL A 44 7.941 -0.090 -23.091 1.00 21.21 H new ATOM 0 HG22 VAL A 44 9.112 -0.900 -22.024 1.00 21.21 H new ATOM 0 HG23 VAL A 44 7.402 -0.785 -21.545 1.00 21.21 H new ATOM 515 N TRP A 45 9.909 -1.386 -19.771 1.00 22.34 N ATOM 516 CA TRP A 45 11.005 -2.348 -19.721 1.00 50.33 C ATOM 517 C TRP A 45 10.502 -3.761 -19.993 1.00 72.02 C ATOM 518 O TRP A 45 9.296 -4.008 -20.011 1.00 12.41 O ATOM 519 CB TRP A 45 11.698 -2.293 -18.359 1.00 13.03 C ATOM 520 CG TRP A 45 13.122 -2.757 -18.397 1.00 62.14 C ATOM 521 CD1 TRP A 45 13.630 -3.893 -17.834 1.00 12.10 C ATOM 522 CD2 TRP A 45 14.222 -2.096 -19.032 1.00 1.52 C ATOM 523 NE1 TRP A 45 14.979 -3.977 -18.080 1.00 21.22 N ATOM 524 CE2 TRP A 45 15.367 -2.887 -18.813 1.00 74.35 C ATOM 525 CE3 TRP A 45 14.351 -0.913 -19.765 1.00 3.23 C ATOM 526 CZ2 TRP A 45 16.621 -2.532 -19.301 1.00 43.21 C ATOM 527 CZ3 TRP A 45 15.597 -0.561 -20.248 1.00 24.24 C ATOM 528 CH2 TRP A 45 16.719 -1.369 -20.015 1.00 52.51 C ATOM 0 H TRP A 45 8.979 -1.804 -19.744 1.00 22.34 H new ATOM 0 HA TRP A 45 11.723 -2.083 -20.497 1.00 50.33 H new ATOM 0 HB2 TRP A 45 11.667 -1.270 -17.985 1.00 13.03 H new ATOM 0 HB3 TRP A 45 11.142 -2.908 -17.652 1.00 13.03 H new ATOM 0 HD1 TRP A 45 13.056 -4.619 -17.277 1.00 12.10 H new ATOM 0 HE1 TRP A 45 15.592 -4.730 -17.767 1.00 21.22 H new ATOM 0 HE3 TRP A 45 13.492 -0.285 -19.951 1.00 3.23 H new ATOM 0 HZ2 TRP A 45 17.487 -3.153 -19.122 1.00 43.21 H new ATOM 0 HZ3 TRP A 45 15.708 0.352 -20.814 1.00 24.24 H new ATOM 0 HH2 TRP A 45 17.679 -1.067 -20.407 1.00 52.51 H new ATOM 539 N ARG A 46 11.433 -4.686 -20.204 1.00 52.44 N ATOM 540 CA ARG A 46 11.082 -6.074 -20.476 1.00 65.44 C ATOM 541 C ARG A 46 12.245 -7.004 -20.141 1.00 62.13 C ATOM 542 O ARG A 46 13.409 -6.654 -20.338 1.00 21.24 O ATOM 543 CB ARG A 46 10.686 -6.245 -21.944 1.00 41.41 C ATOM 544 CG ARG A 46 11.774 -5.828 -22.921 1.00 14.01 C ATOM 545 CD ARG A 46 11.686 -4.347 -23.253 1.00 40.43 C ATOM 546 NE ARG A 46 11.483 -4.117 -24.681 1.00 70.23 N ATOM 547 CZ ARG A 46 12.439 -4.262 -25.592 1.00 72.42 C ATOM 548 NH1 ARG A 46 13.657 -4.635 -25.226 1.00 3.03 N ATOM 549 NH2 ARG A 46 12.177 -4.035 -26.873 1.00 34.11 N ATOM 0 H ARG A 46 12.436 -4.499 -20.192 1.00 52.44 H new ATOM 0 HA ARG A 46 10.233 -6.338 -19.845 1.00 65.44 H new ATOM 0 HB2 ARG A 46 10.429 -7.289 -22.123 1.00 41.41 H new ATOM 0 HB3 ARG A 46 9.789 -5.658 -22.140 1.00 41.41 H new ATOM 0 HG2 ARG A 46 12.752 -6.049 -22.494 1.00 14.01 H new ATOM 0 HG3 ARG A 46 11.686 -6.413 -23.836 1.00 14.01 H new ATOM 0 HD2 ARG A 46 10.865 -3.898 -22.693 1.00 40.43 H new ATOM 0 HD3 ARG A 46 12.601 -3.849 -22.932 1.00 40.43 H new ATOM 0 HE ARG A 46 10.557 -3.829 -24.996 1.00 70.23 H new ATOM 0 HH11 ARG A 46 13.862 -4.812 -24.243 1.00 3.03 H new ATOM 0 HH12 ARG A 46 14.389 -4.746 -25.928 1.00 3.03 H new ATOM 0 HH21 ARG A 46 11.241 -3.749 -27.159 1.00 34.11 H new ATOM 0 HH22 ARG A 46 12.912 -4.147 -27.571 1.00 34.11 H new ATOM 563 N ARG A 47 11.921 -8.189 -19.635 1.00 23.25 N ATOM 564 CA ARG A 47 12.938 -9.168 -19.271 1.00 24.25 C ATOM 565 C ARG A 47 12.432 -10.589 -19.499 1.00 34.32 C ATOM 566 O ARG A 47 11.225 -10.826 -19.561 1.00 30.55 O ATOM 567 CB ARG A 47 13.348 -8.990 -17.807 1.00 74.22 C ATOM 568 CG ARG A 47 12.181 -9.065 -16.835 1.00 43.34 C ATOM 569 CD ARG A 47 11.812 -7.689 -16.302 1.00 73.43 C ATOM 570 NE ARG A 47 12.356 -7.455 -14.968 1.00 21.25 N ATOM 571 CZ ARG A 47 12.162 -6.335 -14.281 1.00 3.31 C ATOM 572 NH1 ARG A 47 11.441 -5.351 -14.801 1.00 33.34 N ATOM 573 NH2 ARG A 47 12.691 -6.196 -13.072 1.00 34.44 N ATOM 0 H ARG A 47 10.962 -8.494 -19.468 1.00 23.25 H new ATOM 0 HA ARG A 47 13.808 -9.004 -19.907 1.00 24.25 H new ATOM 0 HB2 ARG A 47 14.077 -9.757 -17.547 1.00 74.22 H new ATOM 0 HB3 ARG A 47 13.845 -8.027 -17.692 1.00 74.22 H new ATOM 0 HG2 ARG A 47 11.318 -9.507 -17.334 1.00 43.34 H new ATOM 0 HG3 ARG A 47 12.440 -9.721 -16.004 1.00 43.34 H new ATOM 0 HD2 ARG A 47 12.184 -6.924 -16.984 1.00 73.43 H new ATOM 0 HD3 ARG A 47 10.727 -7.590 -16.273 1.00 73.43 H new ATOM 0 HE ARG A 47 12.916 -8.192 -14.540 1.00 21.25 H new ATOM 0 HH11 ARG A 47 11.034 -5.453 -15.731 1.00 33.34 H new ATOM 0 HH12 ARG A 47 11.293 -4.492 -14.271 1.00 33.34 H new ATOM 0 HH21 ARG A 47 13.248 -6.950 -12.669 1.00 34.44 H new ATOM 0 HH22 ARG A 47 12.541 -5.335 -12.546 1.00 34.44 H new ATOM 587 N TYR A 48 13.361 -11.530 -19.624 1.00 31.10 N ATOM 588 CA TYR A 48 13.009 -12.927 -19.848 1.00 73.15 C ATOM 589 C TYR A 48 14.031 -13.857 -19.202 1.00 34.21 C ATOM 590 O TYR A 48 15.228 -13.768 -19.474 1.00 21.22 O ATOM 591 CB TYR A 48 12.916 -13.217 -21.348 1.00 14.25 C ATOM 592 CG TYR A 48 14.175 -12.874 -22.110 1.00 4.30 C ATOM 593 CD1 TYR A 48 15.099 -13.857 -22.442 1.00 61.14 C ATOM 594 CD2 TYR A 48 14.443 -11.566 -22.497 1.00 74.41 C ATOM 595 CE1 TYR A 48 16.252 -13.548 -23.138 1.00 71.33 C ATOM 596 CE2 TYR A 48 15.592 -11.249 -23.194 1.00 51.34 C ATOM 597 CZ TYR A 48 16.494 -12.243 -23.513 1.00 15.15 C ATOM 598 OH TYR A 48 17.640 -11.930 -24.206 1.00 23.31 O ATOM 0 H TYR A 48 14.364 -11.351 -19.574 1.00 31.10 H new ATOM 0 HA TYR A 48 12.038 -13.109 -19.388 1.00 73.15 H new ATOM 0 HB2 TYR A 48 12.691 -14.274 -21.492 1.00 14.25 H new ATOM 0 HB3 TYR A 48 12.083 -12.653 -21.767 1.00 14.25 H new ATOM 0 HD1 TYR A 48 14.913 -14.880 -22.151 1.00 61.14 H new ATOM 0 HD2 TYR A 48 13.740 -10.784 -22.248 1.00 74.41 H new ATOM 0 HE1 TYR A 48 16.960 -14.324 -23.387 1.00 71.33 H new ATOM 0 HE2 TYR A 48 15.784 -10.228 -23.488 1.00 51.34 H new ATOM 0 HH TYR A 48 17.656 -10.968 -24.394 1.00 23.31 H new ATOM 608 N PHE A 49 13.548 -14.751 -18.344 1.00 44.43 N ATOM 609 CA PHE A 49 14.418 -15.698 -17.657 1.00 64.25 C ATOM 610 C PHE A 49 14.753 -16.882 -18.560 1.00 42.02 C ATOM 611 O PHE A 49 13.861 -17.566 -19.061 1.00 23.45 O ATOM 612 CB PHE A 49 13.753 -16.195 -16.372 1.00 41.41 C ATOM 613 CG PHE A 49 14.083 -15.362 -15.166 1.00 52.03 C ATOM 614 CD1 PHE A 49 14.446 -15.962 -13.972 1.00 34.35 C ATOM 615 CD2 PHE A 49 14.029 -13.979 -15.228 1.00 2.34 C ATOM 616 CE1 PHE A 49 14.750 -15.199 -12.860 1.00 50.01 C ATOM 617 CE2 PHE A 49 14.333 -13.210 -14.120 1.00 32.33 C ATOM 618 CZ PHE A 49 14.692 -13.821 -12.934 1.00 64.12 C ATOM 0 H PHE A 49 12.559 -14.839 -18.109 1.00 44.43 H new ATOM 0 HA PHE A 49 15.345 -15.183 -17.403 1.00 64.25 H new ATOM 0 HB2 PHE A 49 12.672 -16.205 -16.512 1.00 41.41 H new ATOM 0 HB3 PHE A 49 14.060 -17.224 -16.188 1.00 41.41 H new ATOM 0 HD1 PHE A 49 14.492 -17.039 -13.909 1.00 34.35 H new ATOM 0 HD2 PHE A 49 13.746 -13.496 -16.152 1.00 2.34 H new ATOM 0 HE1 PHE A 49 15.032 -15.680 -11.935 1.00 50.01 H new ATOM 0 HE2 PHE A 49 14.290 -12.133 -14.182 1.00 32.33 H new ATOM 0 HZ PHE A 49 14.927 -13.222 -12.066 1.00 64.12 H new ATOM 628 N ALA A 50 16.046 -17.116 -18.764 1.00 35.01 N ATOM 629 CA ALA A 50 16.499 -18.217 -19.605 1.00 2.05 C ATOM 630 C ALA A 50 16.418 -19.546 -18.860 1.00 53.54 C ATOM 631 O ALA A 50 16.118 -20.582 -19.452 1.00 13.15 O ATOM 632 CB ALA A 50 17.921 -17.964 -20.083 1.00 62.32 C ATOM 0 H ALA A 50 16.797 -16.558 -18.358 1.00 35.01 H new ATOM 0 HA ALA A 50 15.840 -18.275 -20.472 1.00 2.05 H new ATOM 0 HB1 ALA A 50 18.247 -18.794 -20.710 1.00 62.32 H new ATOM 0 HB2 ALA A 50 17.952 -17.039 -20.660 1.00 62.32 H new ATOM 0 HB3 ALA A 50 18.584 -17.877 -19.222 1.00 62.32 H new ATOM 638 N GLY A 51 16.688 -19.507 -17.559 1.00 71.40 N ATOM 639 CA GLY A 51 16.640 -20.715 -16.756 1.00 24.21 C ATOM 640 C GLY A 51 17.944 -21.488 -16.793 1.00 50.11 C ATOM 641 O GLY A 51 18.331 -22.017 -17.835 1.00 24.40 O ATOM 0 H GLY A 51 16.939 -18.661 -17.047 1.00 71.40 H new ATOM 0 HA2 GLY A 51 16.406 -20.453 -15.724 1.00 24.21 H new ATOM 0 HA3 GLY A 51 15.832 -21.354 -17.114 1.00 24.21 H new ATOM 645 N LYS A 52 18.625 -21.552 -15.654 1.00 34.12 N ATOM 646 CA LYS A 52 19.893 -22.265 -15.559 1.00 10.02 C ATOM 647 C LYS A 52 19.969 -23.070 -14.266 1.00 31.43 C ATOM 648 O LYS A 52 20.930 -22.954 -13.505 1.00 12.32 O ATOM 649 CB LYS A 52 21.062 -21.280 -15.628 1.00 12.52 C ATOM 650 CG LYS A 52 22.329 -21.879 -16.214 1.00 13.44 C ATOM 651 CD LYS A 52 22.231 -22.023 -17.723 1.00 72.30 C ATOM 652 CE LYS A 52 23.605 -22.170 -18.359 1.00 74.31 C ATOM 653 NZ LYS A 52 23.932 -21.018 -19.244 1.00 23.30 N ATOM 0 H LYS A 52 18.319 -21.118 -14.783 1.00 34.12 H new ATOM 0 HA LYS A 52 19.957 -22.955 -16.400 1.00 10.02 H new ATOM 0 HB2 LYS A 52 20.766 -20.419 -16.228 1.00 12.52 H new ATOM 0 HB3 LYS A 52 21.275 -20.911 -14.625 1.00 12.52 H new ATOM 0 HG2 LYS A 52 23.181 -21.248 -15.962 1.00 13.44 H new ATOM 0 HG3 LYS A 52 22.512 -22.855 -15.765 1.00 13.44 H new ATOM 0 HD2 LYS A 52 21.621 -22.892 -17.968 1.00 72.30 H new ATOM 0 HD3 LYS A 52 21.727 -21.152 -18.141 1.00 72.30 H new ATOM 0 HE2 LYS A 52 24.360 -22.253 -17.577 1.00 74.31 H new ATOM 0 HE3 LYS A 52 23.641 -23.094 -18.937 1.00 74.31 H new ATOM 0 HZ1 LYS A 52 24.876 -21.156 -19.658 1.00 23.30 H new ATOM 0 HZ2 LYS A 52 23.226 -20.953 -20.005 1.00 23.30 H new ATOM 0 HZ3 LYS A 52 23.923 -20.139 -18.688 1.00 23.30 H new ATOM 667 N LYS A 53 18.951 -23.889 -14.023 1.00 52.03 N ATOM 668 CA LYS A 53 18.903 -24.717 -12.824 1.00 13.42 C ATOM 669 C LYS A 53 18.157 -26.020 -13.092 1.00 13.14 C ATOM 670 O LYS A 53 17.664 -26.249 -14.197 1.00 4.54 O ATOM 671 CB LYS A 53 18.227 -23.956 -11.681 1.00 2.52 C ATOM 672 CG LYS A 53 16.800 -23.536 -11.989 1.00 21.40 C ATOM 673 CD LYS A 53 16.656 -22.024 -12.011 1.00 14.11 C ATOM 674 CE LYS A 53 15.583 -21.581 -12.994 1.00 14.24 C ATOM 675 NZ LYS A 53 14.500 -20.809 -12.322 1.00 44.23 N ATOM 0 H LYS A 53 18.147 -23.997 -14.642 1.00 52.03 H new ATOM 0 HA LYS A 53 19.927 -24.957 -12.537 1.00 13.42 H new ATOM 0 HB2 LYS A 53 18.228 -24.582 -10.789 1.00 2.52 H new ATOM 0 HB3 LYS A 53 18.816 -23.069 -11.448 1.00 2.52 H new ATOM 0 HG2 LYS A 53 16.500 -23.945 -12.954 1.00 21.40 H new ATOM 0 HG3 LYS A 53 16.127 -23.956 -11.241 1.00 21.40 H new ATOM 0 HD2 LYS A 53 16.406 -21.667 -11.012 1.00 14.11 H new ATOM 0 HD3 LYS A 53 17.609 -21.570 -12.282 1.00 14.11 H new ATOM 0 HE2 LYS A 53 16.035 -20.969 -13.774 1.00 14.24 H new ATOM 0 HE3 LYS A 53 15.155 -22.456 -13.484 1.00 14.24 H new ATOM 0 HZ1 LYS A 53 13.788 -20.525 -13.025 1.00 44.23 H new ATOM 0 HZ2 LYS A 53 14.051 -21.402 -11.595 1.00 44.23 H new ATOM 0 HZ3 LYS A 53 14.904 -19.961 -11.876 1.00 44.23 H new ATOM 689 N ASP A 54 18.076 -26.870 -12.074 1.00 0.21 N ATOM 690 CA ASP A 54 17.388 -28.149 -12.199 1.00 35.21 C ATOM 691 C ASP A 54 16.002 -28.085 -11.563 1.00 62.23 C ATOM 692 O ASP A 54 15.465 -29.099 -11.120 1.00 35.51 O ATOM 693 CB ASP A 54 18.211 -29.261 -11.547 1.00 35.41 C ATOM 694 CG ASP A 54 19.668 -29.222 -11.962 1.00 2.03 C ATOM 695 OD1 ASP A 54 19.946 -29.379 -13.169 1.00 43.13 O ATOM 696 OD2 ASP A 54 20.531 -29.033 -11.079 1.00 31.50 O ATOM 0 H ASP A 54 18.478 -26.696 -11.153 1.00 0.21 H new ATOM 0 HA ASP A 54 17.271 -28.369 -13.260 1.00 35.21 H new ATOM 0 HB2 ASP A 54 18.143 -29.172 -10.463 1.00 35.41 H new ATOM 0 HB3 ASP A 54 17.786 -30.228 -11.815 1.00 35.41 H new ATOM 701 N ALA A 55 15.431 -26.886 -11.522 1.00 34.12 N ATOM 702 CA ALA A 55 14.108 -26.690 -10.941 1.00 60.14 C ATOM 703 C ALA A 55 13.091 -26.304 -12.010 1.00 42.02 C ATOM 704 O ALA A 55 13.442 -25.848 -13.099 1.00 13.43 O ATOM 705 CB ALA A 55 14.161 -25.628 -9.853 1.00 24.31 C ATOM 0 H ALA A 55 15.863 -26.036 -11.884 1.00 34.12 H new ATOM 0 HA ALA A 55 13.790 -27.633 -10.497 1.00 60.14 H new ATOM 0 HB1 ALA A 55 13.166 -25.492 -9.428 1.00 24.31 H new ATOM 0 HB2 ALA A 55 14.850 -25.944 -9.070 1.00 24.31 H new ATOM 0 HB3 ALA A 55 14.505 -24.686 -10.280 1.00 24.31 H new ATOM 711 N PRO A 56 11.801 -26.491 -11.696 1.00 12.14 N ATOM 712 CA PRO A 56 10.707 -26.169 -12.616 1.00 52.55 C ATOM 713 C PRO A 56 10.542 -24.666 -12.817 1.00 54.00 C ATOM 714 O PRO A 56 11.111 -23.852 -12.090 1.00 12.05 O ATOM 715 CB PRO A 56 9.475 -26.754 -11.922 1.00 54.01 C ATOM 716 CG PRO A 56 9.830 -26.776 -10.475 1.00 73.05 C ATOM 717 CD PRO A 56 11.310 -27.031 -10.416 1.00 45.14 C ATOM 0 HA PRO A 56 10.882 -26.572 -13.614 1.00 52.55 H new ATOM 0 HB2 PRO A 56 8.591 -26.143 -12.103 1.00 54.01 H new ATOM 0 HB3 PRO A 56 9.251 -27.755 -12.290 1.00 54.01 H new ATOM 0 HG2 PRO A 56 9.578 -25.830 -9.997 1.00 73.05 H new ATOM 0 HG3 PRO A 56 9.278 -27.556 -9.950 1.00 73.05 H new ATOM 0 HD2 PRO A 56 11.771 -26.529 -9.565 1.00 45.14 H new ATOM 0 HD3 PRO A 56 11.531 -28.094 -10.317 1.00 45.14 H new ATOM 725 N PRO A 57 9.744 -24.287 -13.827 1.00 30.14 N ATOM 726 CA PRO A 57 9.485 -22.880 -14.145 1.00 53.14 C ATOM 727 C PRO A 57 8.632 -22.193 -13.084 1.00 42.32 C ATOM 728 O PRO A 57 7.428 -22.430 -12.994 1.00 2.12 O ATOM 729 CB PRO A 57 8.729 -22.951 -15.475 1.00 3.32 C ATOM 730 CG PRO A 57 8.091 -24.297 -15.476 1.00 54.54 C ATOM 731 CD PRO A 57 9.033 -25.203 -14.734 1.00 62.24 C ATOM 0 HA PRO A 57 10.405 -22.297 -14.192 1.00 53.14 H new ATOM 0 HB2 PRO A 57 7.983 -22.159 -15.549 1.00 3.32 H new ATOM 0 HB3 PRO A 57 9.405 -22.833 -16.322 1.00 3.32 H new ATOM 0 HG2 PRO A 57 7.116 -24.267 -14.991 1.00 54.54 H new ATOM 0 HG3 PRO A 57 7.930 -24.651 -16.494 1.00 54.54 H new ATOM 0 HD2 PRO A 57 8.497 -25.977 -14.184 1.00 62.24 H new ATOM 0 HD3 PRO A 57 9.719 -25.711 -15.412 1.00 62.24 H new ATOM 739 N GLU A 58 9.265 -21.340 -12.284 1.00 31.31 N ATOM 740 CA GLU A 58 8.563 -20.619 -11.229 1.00 33.43 C ATOM 741 C GLU A 58 8.186 -19.214 -11.688 1.00 54.11 C ATOM 742 O GLU A 58 7.073 -18.747 -11.444 1.00 21.01 O ATOM 743 CB GLU A 58 9.429 -20.541 -9.970 1.00 62.11 C ATOM 744 CG GLU A 58 8.627 -20.440 -8.684 1.00 33.32 C ATOM 745 CD GLU A 58 7.810 -21.687 -8.407 1.00 34.33 C ATOM 746 OE1 GLU A 58 6.652 -21.550 -7.959 1.00 53.24 O ATOM 747 OE2 GLU A 58 8.328 -22.800 -8.637 1.00 14.14 O ATOM 0 H GLU A 58 10.262 -21.132 -12.347 1.00 31.31 H new ATOM 0 HA GLU A 58 7.648 -21.165 -10.998 1.00 33.43 H new ATOM 0 HB2 GLU A 58 10.066 -21.424 -9.922 1.00 62.11 H new ATOM 0 HB3 GLU A 58 10.088 -19.676 -10.046 1.00 62.11 H new ATOM 0 HG2 GLU A 58 9.306 -20.262 -7.850 1.00 33.32 H new ATOM 0 HG3 GLU A 58 7.961 -19.579 -8.742 1.00 33.32 H new ATOM 754 N SER A 59 9.121 -18.545 -12.354 1.00 40.43 N ATOM 755 CA SER A 59 8.890 -17.191 -12.844 1.00 55.24 C ATOM 756 C SER A 59 8.245 -17.216 -14.227 1.00 21.40 C ATOM 757 O SER A 59 8.184 -18.261 -14.876 1.00 43.43 O ATOM 758 CB SER A 59 10.206 -16.413 -12.897 1.00 52.20 C ATOM 759 OG SER A 59 11.026 -16.723 -11.784 1.00 44.11 O ATOM 0 H SER A 59 10.046 -18.918 -12.567 1.00 40.43 H new ATOM 0 HA SER A 59 8.209 -16.693 -12.153 1.00 55.24 H new ATOM 0 HB2 SER A 59 10.735 -16.650 -13.820 1.00 52.20 H new ATOM 0 HB3 SER A 59 9.999 -15.343 -12.914 1.00 52.20 H new ATOM 0 HG SER A 59 11.862 -16.215 -11.842 1.00 44.11 H new ATOM 765 N ARG A 60 7.765 -16.059 -14.671 1.00 22.23 N ATOM 766 CA ARG A 60 7.124 -15.948 -15.975 1.00 51.12 C ATOM 767 C ARG A 60 8.050 -15.270 -16.980 1.00 65.14 C ATOM 768 O ARG A 60 8.391 -14.096 -16.834 1.00 51.44 O ATOM 769 CB ARG A 60 5.817 -15.161 -15.859 1.00 71.43 C ATOM 770 CG ARG A 60 4.859 -15.721 -14.820 1.00 64.10 C ATOM 771 CD ARG A 60 4.185 -16.993 -15.311 1.00 43.31 C ATOM 772 NE ARG A 60 3.420 -17.650 -14.255 1.00 5.23 N ATOM 773 CZ ARG A 60 2.472 -18.551 -14.486 1.00 0.33 C ATOM 774 NH1 ARG A 60 2.174 -18.900 -15.729 1.00 52.05 N ATOM 775 NH2 ARG A 60 1.820 -19.105 -13.471 1.00 41.44 N ATOM 0 H ARG A 60 7.808 -15.185 -14.146 1.00 22.23 H new ATOM 0 HA ARG A 60 6.904 -16.955 -16.331 1.00 51.12 H new ATOM 0 HB2 ARG A 60 6.047 -14.126 -15.608 1.00 71.43 H new ATOM 0 HB3 ARG A 60 5.321 -15.151 -16.830 1.00 71.43 H new ATOM 0 HG2 ARG A 60 5.402 -15.928 -13.898 1.00 64.10 H new ATOM 0 HG3 ARG A 60 4.101 -14.975 -14.583 1.00 64.10 H new ATOM 0 HD2 ARG A 60 3.523 -16.754 -16.143 1.00 43.31 H new ATOM 0 HD3 ARG A 60 4.941 -17.680 -15.692 1.00 43.31 H new ATOM 0 HE ARG A 60 3.625 -17.403 -13.287 1.00 5.23 H new ATOM 0 HH11 ARG A 60 2.673 -18.476 -16.511 1.00 52.05 H new ATOM 0 HH12 ARG A 60 1.446 -19.592 -15.904 1.00 52.05 H new ATOM 0 HH21 ARG A 60 2.047 -18.839 -12.513 1.00 41.44 H new ATOM 0 HH22 ARG A 60 1.092 -19.797 -13.649 1.00 41.44 H new ATOM 789 N THR A 61 8.456 -16.018 -18.002 1.00 23.43 N ATOM 790 CA THR A 61 9.344 -15.491 -19.030 1.00 24.30 C ATOM 791 C THR A 61 8.644 -15.429 -20.382 1.00 71.55 C ATOM 792 O THR A 61 8.440 -16.453 -21.035 1.00 60.24 O ATOM 793 CB THR A 61 10.619 -16.346 -19.163 1.00 40.14 C ATOM 794 OG1 THR A 61 11.354 -15.952 -20.328 1.00 15.44 O ATOM 795 CG2 THR A 61 10.272 -17.824 -19.253 1.00 24.42 C ATOM 0 H THR A 61 8.183 -16.991 -18.139 1.00 23.43 H new ATOM 0 HA THR A 61 9.622 -14.483 -18.722 1.00 24.30 H new ATOM 0 HB THR A 61 11.232 -16.186 -18.276 1.00 40.14 H new ATOM 0 HG1 THR A 61 12.261 -16.320 -20.283 1.00 15.44 H new ATOM 0 HG21 THR A 61 11.188 -18.408 -19.346 1.00 24.42 H new ATOM 0 HG22 THR A 61 9.738 -18.128 -18.353 1.00 24.42 H new ATOM 0 HG23 THR A 61 9.641 -17.997 -20.125 1.00 24.42 H new ATOM 803 N LYS A 62 8.278 -14.222 -20.799 1.00 74.11 N ATOM 804 CA LYS A 62 7.601 -14.025 -22.076 1.00 22.33 C ATOM 805 C LYS A 62 8.172 -12.819 -22.814 1.00 3.23 C ATOM 806 O LYS A 62 8.765 -11.919 -22.217 1.00 74.22 O ATOM 807 CB LYS A 62 6.098 -13.838 -21.856 1.00 43.14 C ATOM 808 CG LYS A 62 5.763 -12.949 -20.672 1.00 13.24 C ATOM 809 CD LYS A 62 5.336 -13.766 -19.464 1.00 71.41 C ATOM 810 CE LYS A 62 3.821 -13.818 -19.333 1.00 64.31 C ATOM 811 NZ LYS A 62 3.207 -14.718 -20.348 1.00 64.34 N ATOM 0 H LYS A 62 8.439 -13.364 -20.271 1.00 74.11 H new ATOM 0 HA LYS A 62 7.765 -14.913 -22.687 1.00 22.33 H new ATOM 0 HB2 LYS A 62 5.658 -13.410 -22.757 1.00 43.14 H new ATOM 0 HB3 LYS A 62 5.637 -14.814 -21.709 1.00 43.14 H new ATOM 0 HG2 LYS A 62 6.631 -12.343 -20.414 1.00 13.24 H new ATOM 0 HG3 LYS A 62 4.964 -12.260 -20.947 1.00 13.24 H new ATOM 0 HD2 LYS A 62 5.730 -14.779 -19.551 1.00 71.41 H new ATOM 0 HD3 LYS A 62 5.766 -13.333 -18.561 1.00 71.41 H new ATOM 0 HE2 LYS A 62 3.555 -14.162 -18.334 1.00 64.31 H new ATOM 0 HE3 LYS A 62 3.412 -12.814 -19.444 1.00 64.31 H new ATOM 0 HZ1 LYS A 62 2.174 -14.726 -20.225 1.00 64.34 H new ATOM 0 HZ2 LYS A 62 3.440 -14.375 -21.302 1.00 64.34 H new ATOM 0 HZ3 LYS A 62 3.578 -15.682 -20.227 1.00 64.34 H new ATOM 825 N PRO A 63 7.991 -12.796 -24.142 1.00 75.25 N ATOM 826 CA PRO A 63 8.479 -11.704 -24.990 1.00 32.22 C ATOM 827 C PRO A 63 7.710 -10.407 -24.764 1.00 73.01 C ATOM 828 O PRO A 63 8.179 -9.326 -25.119 1.00 64.02 O ATOM 829 CB PRO A 63 8.244 -12.225 -26.410 1.00 13.01 C ATOM 830 CG PRO A 63 7.129 -13.204 -26.275 1.00 11.12 C ATOM 831 CD PRO A 63 7.294 -13.835 -24.920 1.00 12.21 C ATOM 0 HA PRO A 63 9.520 -11.458 -24.779 1.00 32.22 H new ATOM 0 HB2 PRO A 63 7.980 -11.415 -27.090 1.00 13.01 H new ATOM 0 HB3 PRO A 63 9.140 -12.698 -26.811 1.00 13.01 H new ATOM 0 HG2 PRO A 63 6.162 -12.708 -26.359 1.00 11.12 H new ATOM 0 HG3 PRO A 63 7.172 -13.956 -27.063 1.00 11.12 H new ATOM 0 HD2 PRO A 63 6.332 -14.092 -24.476 1.00 12.21 H new ATOM 0 HD3 PRO A 63 7.876 -14.755 -24.973 1.00 12.21 H new ATOM 839 N SER A 64 6.526 -10.522 -24.171 1.00 13.10 N ATOM 840 CA SER A 64 5.690 -9.358 -23.901 1.00 0.22 C ATOM 841 C SER A 64 6.468 -8.298 -23.126 1.00 61.52 C ATOM 842 O SER A 64 7.378 -8.616 -22.360 1.00 61.13 O ATOM 843 CB SER A 64 4.445 -9.770 -23.114 1.00 15.55 C ATOM 844 OG SER A 64 3.654 -10.685 -23.852 1.00 22.33 O ATOM 0 H SER A 64 6.124 -11.409 -23.868 1.00 13.10 H new ATOM 0 HA SER A 64 5.383 -8.932 -24.856 1.00 0.22 H new ATOM 0 HB2 SER A 64 4.742 -10.222 -22.168 1.00 15.55 H new ATOM 0 HB3 SER A 64 3.854 -8.886 -22.873 1.00 15.55 H new ATOM 0 HG SER A 64 2.865 -10.934 -23.326 1.00 22.33 H new ATOM 850 N VAL A 65 6.103 -7.037 -23.332 1.00 11.14 N ATOM 851 CA VAL A 65 6.765 -5.929 -22.653 1.00 32.33 C ATOM 852 C VAL A 65 5.875 -5.341 -21.564 1.00 35.54 C ATOM 853 O VAL A 65 4.648 -5.375 -21.664 1.00 51.01 O ATOM 854 CB VAL A 65 7.150 -4.814 -23.643 1.00 24.14 C ATOM 855 CG1 VAL A 65 8.258 -5.285 -24.573 1.00 21.03 C ATOM 856 CG2 VAL A 65 5.933 -4.362 -24.436 1.00 5.15 C ATOM 0 H VAL A 65 5.353 -6.757 -23.964 1.00 11.14 H new ATOM 0 HA VAL A 65 7.671 -6.332 -22.200 1.00 32.33 H new ATOM 0 HB VAL A 65 7.523 -3.961 -23.076 1.00 24.14 H new ATOM 0 HG11 VAL A 65 8.517 -4.484 -25.265 1.00 21.03 H new ATOM 0 HG12 VAL A 65 9.136 -5.555 -23.986 1.00 21.03 H new ATOM 0 HG13 VAL A 65 7.916 -6.154 -25.135 1.00 21.03 H new ATOM 0 HG21 VAL A 65 6.224 -3.574 -25.131 1.00 5.15 H new ATOM 0 HG22 VAL A 65 5.528 -5.206 -24.994 1.00 5.15 H new ATOM 0 HG23 VAL A 65 5.174 -3.982 -23.752 1.00 5.15 H new ATOM 866 N PHE A 66 6.500 -4.802 -20.522 1.00 62.55 N ATOM 867 CA PHE A 66 5.765 -4.207 -19.413 1.00 12.10 C ATOM 868 C PHE A 66 5.912 -2.688 -19.416 1.00 22.12 C ATOM 869 O PHE A 66 7.019 -2.161 -19.524 1.00 2.40 O ATOM 870 CB PHE A 66 6.259 -4.776 -18.082 1.00 23.04 C ATOM 871 CG PHE A 66 6.395 -6.272 -18.083 1.00 3.14 C ATOM 872 CD1 PHE A 66 7.644 -6.867 -18.154 1.00 64.13 C ATOM 873 CD2 PHE A 66 5.274 -7.083 -18.012 1.00 51.35 C ATOM 874 CE1 PHE A 66 7.773 -8.243 -18.155 1.00 61.42 C ATOM 875 CE2 PHE A 66 5.396 -8.459 -18.012 1.00 65.35 C ATOM 876 CZ PHE A 66 6.647 -9.040 -18.085 1.00 64.42 C ATOM 0 H PHE A 66 7.515 -4.765 -20.423 1.00 62.55 H new ATOM 0 HA PHE A 66 4.710 -4.453 -19.536 1.00 12.10 H new ATOM 0 HB2 PHE A 66 7.225 -4.332 -17.842 1.00 23.04 H new ATOM 0 HB3 PHE A 66 5.568 -4.483 -17.292 1.00 23.04 H new ATOM 0 HD1 PHE A 66 8.527 -6.248 -18.209 1.00 64.13 H new ATOM 0 HD2 PHE A 66 4.293 -6.634 -17.956 1.00 51.35 H new ATOM 0 HE1 PHE A 66 8.753 -8.694 -18.210 1.00 61.42 H new ATOM 0 HE2 PHE A 66 4.514 -9.080 -17.955 1.00 65.35 H new ATOM 0 HZ PHE A 66 6.745 -10.116 -18.087 1.00 64.42 H new ATOM 886 N VAL A 67 4.787 -1.990 -19.297 1.00 21.13 N ATOM 887 CA VAL A 67 4.790 -0.532 -19.285 1.00 34.22 C ATOM 888 C VAL A 67 4.012 0.009 -18.091 1.00 32.05 C ATOM 889 O VAL A 67 2.957 -0.516 -17.733 1.00 23.10 O ATOM 890 CB VAL A 67 4.184 0.041 -20.580 1.00 60.41 C ATOM 891 CG1 VAL A 67 5.012 -0.376 -21.786 1.00 52.24 C ATOM 892 CG2 VAL A 67 2.738 -0.407 -20.735 1.00 43.31 C ATOM 0 H VAL A 67 3.862 -2.411 -19.208 1.00 21.13 H new ATOM 0 HA VAL A 67 5.831 -0.218 -19.210 1.00 34.22 H new ATOM 0 HB VAL A 67 4.198 1.129 -20.518 1.00 60.41 H new ATOM 0 HG11 VAL A 67 4.569 0.038 -22.692 1.00 52.24 H new ATOM 0 HG12 VAL A 67 6.030 -0.001 -21.676 1.00 52.24 H new ATOM 0 HG13 VAL A 67 5.031 -1.464 -21.856 1.00 52.24 H new ATOM 0 HG21 VAL A 67 2.325 0.007 -21.655 1.00 43.31 H new ATOM 0 HG22 VAL A 67 2.697 -1.495 -20.776 1.00 43.31 H new ATOM 0 HG23 VAL A 67 2.155 -0.054 -19.885 1.00 43.31 H new ATOM 902 N VAL A 68 4.539 1.063 -17.476 1.00 41.44 N ATOM 903 CA VAL A 68 3.894 1.678 -16.322 1.00 72.15 C ATOM 904 C VAL A 68 3.551 3.138 -16.597 1.00 62.11 C ATOM 905 O VAL A 68 4.436 3.959 -16.841 1.00 75.03 O ATOM 906 CB VAL A 68 4.788 1.599 -15.071 1.00 20.51 C ATOM 907 CG1 VAL A 68 4.069 2.179 -13.863 1.00 34.43 C ATOM 908 CG2 VAL A 68 5.212 0.161 -14.810 1.00 1.11 C ATOM 0 H VAL A 68 5.412 1.509 -17.758 1.00 41.44 H new ATOM 0 HA VAL A 68 2.975 1.120 -16.139 1.00 72.15 H new ATOM 0 HB VAL A 68 5.685 2.192 -15.249 1.00 20.51 H new ATOM 0 HG11 VAL A 68 4.716 2.114 -12.989 1.00 34.43 H new ATOM 0 HG12 VAL A 68 3.820 3.223 -14.054 1.00 34.43 H new ATOM 0 HG13 VAL A 68 3.154 1.616 -13.679 1.00 34.43 H new ATOM 0 HG21 VAL A 68 5.843 0.123 -13.922 1.00 1.11 H new ATOM 0 HG22 VAL A 68 4.328 -0.456 -14.653 1.00 1.11 H new ATOM 0 HG23 VAL A 68 5.769 -0.215 -15.668 1.00 1.11 H new ATOM 918 N PHE A 69 2.261 3.455 -16.555 1.00 44.31 N ATOM 919 CA PHE A 69 1.801 4.817 -16.800 1.00 11.01 C ATOM 920 C PHE A 69 1.889 5.658 -15.530 1.00 21.34 C ATOM 921 O PHE A 69 1.726 5.147 -14.422 1.00 40.13 O ATOM 922 CB PHE A 69 0.361 4.806 -17.319 1.00 24.34 C ATOM 923 CG PHE A 69 0.196 4.060 -18.612 1.00 20.12 C ATOM 924 CD1 PHE A 69 0.143 4.740 -19.817 1.00 51.44 C ATOM 925 CD2 PHE A 69 0.093 2.678 -18.622 1.00 1.15 C ATOM 926 CE1 PHE A 69 -0.009 4.057 -21.009 1.00 42.14 C ATOM 927 CE2 PHE A 69 -0.058 1.989 -19.810 1.00 54.52 C ATOM 928 CZ PHE A 69 -0.111 2.680 -21.005 1.00 64.24 C ATOM 0 H PHE A 69 1.516 2.788 -16.354 1.00 44.31 H new ATOM 0 HA PHE A 69 2.449 5.262 -17.555 1.00 11.01 H new ATOM 0 HB2 PHE A 69 -0.285 4.357 -16.565 1.00 24.34 H new ATOM 0 HB3 PHE A 69 0.025 5.834 -17.456 1.00 24.34 H new ATOM 0 HD1 PHE A 69 0.221 5.817 -19.826 1.00 51.44 H new ATOM 0 HD2 PHE A 69 0.131 2.133 -17.690 1.00 1.15 H new ATOM 0 HE1 PHE A 69 -0.048 4.600 -21.942 1.00 42.14 H new ATOM 0 HE2 PHE A 69 -0.134 0.912 -19.804 1.00 54.52 H new ATOM 0 HZ PHE A 69 -0.232 2.144 -21.935 1.00 64.24 H new ATOM 938 N ASN A 70 2.149 6.950 -15.699 1.00 40.02 N ATOM 939 CA ASN A 70 2.260 7.862 -14.567 1.00 4.32 C ATOM 940 C ASN A 70 0.896 8.431 -14.190 1.00 52.34 C ATOM 941 O ASN A 70 0.545 8.502 -13.013 1.00 12.23 O ATOM 942 CB ASN A 70 3.227 9.002 -14.896 1.00 62.52 C ATOM 943 CG ASN A 70 3.589 9.824 -13.675 1.00 25.24 C ATOM 944 OD1 ASN A 70 3.338 9.415 -12.541 1.00 1.33 O ATOM 945 ND2 ASN A 70 4.183 10.990 -13.901 1.00 62.22 N ATOM 0 H ASN A 70 2.287 7.389 -16.609 1.00 40.02 H new ATOM 0 HA ASN A 70 2.647 7.300 -13.717 1.00 4.32 H new ATOM 0 HB2 ASN A 70 4.135 8.589 -15.335 1.00 62.52 H new ATOM 0 HB3 ASN A 70 2.777 9.651 -15.647 1.00 62.52 H new ATOM 0 HD21 ASN A 70 4.450 11.586 -13.118 1.00 62.22 H new ATOM 0 HD22 ASN A 70 4.372 11.289 -14.858 1.00 62.22 H new ATOM 952 N SER A 71 0.130 8.835 -15.199 1.00 63.12 N ATOM 953 CA SER A 71 -1.195 9.401 -14.975 1.00 22.35 C ATOM 954 C SER A 71 -2.214 8.301 -14.693 1.00 13.12 C ATOM 955 O SER A 71 -2.311 7.324 -15.435 1.00 25.33 O ATOM 956 CB SER A 71 -1.635 10.221 -16.189 1.00 21.04 C ATOM 957 OG SER A 71 -0.693 11.238 -16.486 1.00 35.43 O ATOM 0 H SER A 71 0.405 8.781 -16.180 1.00 63.12 H new ATOM 0 HA SER A 71 -1.142 10.055 -14.105 1.00 22.35 H new ATOM 0 HB2 SER A 71 -1.751 9.565 -17.052 1.00 21.04 H new ATOM 0 HB3 SER A 71 -2.610 10.669 -15.995 1.00 21.04 H new ATOM 0 HG SER A 71 -0.996 11.747 -17.267 1.00 35.43 H new ATOM 963 N SER A 72 -2.974 8.469 -13.615 1.00 24.03 N ATOM 964 CA SER A 72 -3.984 7.490 -13.231 1.00 62.23 C ATOM 965 C SER A 72 -5.033 7.334 -14.328 1.00 14.44 C ATOM 966 O SER A 72 -5.334 6.222 -14.760 1.00 13.34 O ATOM 967 CB SER A 72 -4.656 7.905 -11.921 1.00 42.32 C ATOM 968 OG SER A 72 -3.773 8.666 -11.114 1.00 74.32 O ATOM 0 H SER A 72 -2.909 9.274 -12.992 1.00 24.03 H new ATOM 0 HA SER A 72 -3.488 6.530 -13.087 1.00 62.23 H new ATOM 0 HB2 SER A 72 -5.551 8.489 -12.137 1.00 42.32 H new ATOM 0 HB3 SER A 72 -4.978 7.017 -11.376 1.00 42.32 H new ATOM 0 HG SER A 72 -4.226 8.921 -10.283 1.00 74.32 H new ATOM 974 N GLU A 73 -5.587 8.459 -14.772 1.00 64.51 N ATOM 975 CA GLU A 73 -6.603 8.447 -15.817 1.00 54.43 C ATOM 976 C GLU A 73 -6.094 7.730 -17.064 1.00 72.40 C ATOM 977 O GLU A 73 -6.684 6.746 -17.510 1.00 52.45 O ATOM 978 CB GLU A 73 -7.018 9.877 -16.172 1.00 4.00 C ATOM 979 CG GLU A 73 -8.511 10.040 -16.398 1.00 73.50 C ATOM 980 CD GLU A 73 -8.916 11.486 -16.607 1.00 63.11 C ATOM 981 OE1 GLU A 73 -8.043 12.297 -16.980 1.00 5.53 O ATOM 982 OE2 GLU A 73 -10.104 11.806 -16.398 1.00 53.51 O ATOM 0 H GLU A 73 -5.349 9.388 -14.424 1.00 64.51 H new ATOM 0 HA GLU A 73 -7.471 7.907 -15.438 1.00 54.43 H new ATOM 0 HB2 GLU A 73 -6.705 10.546 -15.371 1.00 4.00 H new ATOM 0 HB3 GLU A 73 -6.487 10.187 -17.072 1.00 4.00 H new ATOM 0 HG2 GLU A 73 -8.809 9.454 -17.268 1.00 73.50 H new ATOM 0 HG3 GLU A 73 -9.050 9.636 -15.541 1.00 73.50 H new ATOM 989 N GLU A 74 -4.995 8.230 -17.620 1.00 74.35 N ATOM 990 CA GLU A 74 -4.408 7.637 -18.816 1.00 41.13 C ATOM 991 C GLU A 74 -4.065 6.169 -18.583 1.00 63.43 C ATOM 992 O GLU A 74 -4.209 5.337 -19.479 1.00 21.01 O ATOM 993 CB GLU A 74 -3.151 8.407 -19.229 1.00 73.51 C ATOM 994 CG GLU A 74 -2.560 7.942 -20.549 1.00 45.13 C ATOM 995 CD GLU A 74 -2.838 8.907 -21.685 1.00 51.31 C ATOM 996 OE1 GLU A 74 -1.956 9.738 -21.987 1.00 25.11 O ATOM 997 OE2 GLU A 74 -3.938 8.833 -22.272 1.00 22.52 O ATOM 0 H GLU A 74 -4.494 9.043 -17.262 1.00 74.35 H new ATOM 0 HA GLU A 74 -5.143 7.697 -19.619 1.00 41.13 H new ATOM 0 HB2 GLU A 74 -3.392 9.468 -19.302 1.00 73.51 H new ATOM 0 HB3 GLU A 74 -2.399 8.304 -18.447 1.00 73.51 H new ATOM 0 HG2 GLU A 74 -1.483 7.819 -20.437 1.00 45.13 H new ATOM 0 HG3 GLU A 74 -2.968 6.963 -20.801 1.00 45.13 H new ATOM 1004 N ALA A 75 -3.609 5.858 -17.374 1.00 14.00 N ATOM 1005 CA ALA A 75 -3.247 4.491 -17.022 1.00 61.20 C ATOM 1006 C ALA A 75 -4.429 3.545 -17.206 1.00 63.24 C ATOM 1007 O ALA A 75 -4.311 2.512 -17.864 1.00 70.25 O ATOM 1008 CB ALA A 75 -2.740 4.432 -15.589 1.00 25.41 C ATOM 0 H ALA A 75 -3.482 6.535 -16.622 1.00 14.00 H new ATOM 0 HA ALA A 75 -2.450 4.169 -17.692 1.00 61.20 H new ATOM 0 HB1 ALA A 75 -2.473 3.405 -15.339 1.00 25.41 H new ATOM 0 HB2 ALA A 75 -1.862 5.070 -15.487 1.00 25.41 H new ATOM 0 HB3 ALA A 75 -3.521 4.779 -14.912 1.00 25.41 H new ATOM 1014 N GLU A 76 -5.566 3.905 -16.620 1.00 72.02 N ATOM 1015 CA GLU A 76 -6.769 3.086 -16.720 1.00 24.05 C ATOM 1016 C GLU A 76 -7.259 3.012 -18.163 1.00 11.44 C ATOM 1017 O GLU A 76 -7.704 1.962 -18.625 1.00 43.45 O ATOM 1018 CB GLU A 76 -7.872 3.650 -15.822 1.00 53.13 C ATOM 1019 CG GLU A 76 -7.536 3.603 -14.341 1.00 73.52 C ATOM 1020 CD GLU A 76 -7.707 2.217 -13.748 1.00 42.35 C ATOM 1021 OE1 GLU A 76 -8.838 1.690 -13.789 1.00 55.44 O ATOM 1022 OE2 GLU A 76 -6.710 1.660 -13.244 1.00 3.42 O ATOM 0 H GLU A 76 -5.680 4.757 -16.071 1.00 72.02 H new ATOM 0 HA GLU A 76 -6.520 2.078 -16.388 1.00 24.05 H new ATOM 0 HB2 GLU A 76 -8.069 4.683 -16.108 1.00 53.13 H new ATOM 0 HB3 GLU A 76 -8.791 3.090 -15.995 1.00 53.13 H new ATOM 0 HG2 GLU A 76 -6.507 3.932 -14.195 1.00 73.52 H new ATOM 0 HG3 GLU A 76 -8.175 4.305 -13.805 1.00 73.52 H new ATOM 1029 N ALA A 77 -7.175 4.136 -18.868 1.00 31.31 N ATOM 1030 CA ALA A 77 -7.609 4.199 -20.258 1.00 44.11 C ATOM 1031 C ALA A 77 -6.887 3.157 -21.106 1.00 42.42 C ATOM 1032 O ALA A 77 -7.519 2.371 -21.812 1.00 24.44 O ATOM 1033 CB ALA A 77 -7.376 5.594 -20.820 1.00 61.44 C ATOM 0 H ALA A 77 -6.811 5.014 -18.499 1.00 31.31 H new ATOM 0 HA ALA A 77 -8.676 3.979 -20.291 1.00 44.11 H new ATOM 0 HB1 ALA A 77 -7.704 5.627 -21.859 1.00 61.44 H new ATOM 0 HB2 ALA A 77 -7.942 6.320 -20.237 1.00 61.44 H new ATOM 0 HB3 ALA A 77 -6.314 5.835 -20.767 1.00 61.44 H new ATOM 1039 N PHE A 78 -5.560 3.158 -21.034 1.00 1.25 N ATOM 1040 CA PHE A 78 -4.752 2.214 -21.796 1.00 61.13 C ATOM 1041 C PHE A 78 -4.979 0.786 -21.308 1.00 64.05 C ATOM 1042 O PHE A 78 -5.017 -0.153 -22.103 1.00 52.11 O ATOM 1043 CB PHE A 78 -3.269 2.573 -21.686 1.00 2.35 C ATOM 1044 CG PHE A 78 -2.810 3.553 -22.728 1.00 21.24 C ATOM 1045 CD1 PHE A 78 -1.959 3.154 -23.746 1.00 32.42 C ATOM 1046 CD2 PHE A 78 -3.229 4.873 -22.689 1.00 22.04 C ATOM 1047 CE1 PHE A 78 -1.535 4.052 -24.707 1.00 13.45 C ATOM 1048 CE2 PHE A 78 -2.809 5.776 -23.647 1.00 4.03 C ATOM 1049 CZ PHE A 78 -1.960 5.366 -24.656 1.00 62.42 C ATOM 0 H PHE A 78 -5.021 3.803 -20.455 1.00 1.25 H new ATOM 0 HA PHE A 78 -5.056 2.275 -22.841 1.00 61.13 H new ATOM 0 HB2 PHE A 78 -3.077 2.990 -20.697 1.00 2.35 H new ATOM 0 HB3 PHE A 78 -2.676 1.662 -21.769 1.00 2.35 H new ATOM 0 HD1 PHE A 78 -1.623 2.129 -23.789 1.00 32.42 H new ATOM 0 HD2 PHE A 78 -3.891 5.200 -21.901 1.00 22.04 H new ATOM 0 HE1 PHE A 78 -0.873 3.728 -25.496 1.00 13.45 H new ATOM 0 HE2 PHE A 78 -3.145 6.802 -23.607 1.00 4.03 H new ATOM 0 HZ PHE A 78 -1.629 6.071 -25.404 1.00 62.42 H new ATOM 1059 N GLN A 79 -5.127 0.632 -19.997 1.00 32.23 N ATOM 1060 CA GLN A 79 -5.349 -0.681 -19.403 1.00 23.33 C ATOM 1061 C GLN A 79 -6.574 -1.354 -20.011 1.00 75.42 C ATOM 1062 O GLN A 79 -6.522 -2.517 -20.414 1.00 14.24 O ATOM 1063 CB GLN A 79 -5.520 -0.557 -17.888 1.00 1.32 C ATOM 1064 CG GLN A 79 -4.432 -1.260 -17.093 1.00 2.14 C ATOM 1065 CD GLN A 79 -4.253 -0.676 -15.705 1.00 43.33 C ATOM 1066 OE1 GLN A 79 -3.142 -0.324 -15.306 1.00 13.21 O ATOM 1067 NE2 GLN A 79 -5.348 -0.569 -14.962 1.00 3.13 N ATOM 0 H GLN A 79 -5.097 1.399 -19.326 1.00 32.23 H new ATOM 0 HA GLN A 79 -4.476 -1.299 -19.614 1.00 23.33 H new ATOM 0 HB2 GLN A 79 -5.531 0.499 -17.617 1.00 1.32 H new ATOM 0 HB3 GLN A 79 -6.489 -0.969 -17.605 1.00 1.32 H new ATOM 0 HG2 GLN A 79 -4.676 -2.319 -17.009 1.00 2.14 H new ATOM 0 HG3 GLN A 79 -3.489 -1.192 -17.636 1.00 2.14 H new ATOM 0 HE21 GLN A 79 -6.248 -0.873 -15.333 1.00 3.13 H new ATOM 0 HE22 GLN A 79 -5.289 -0.182 -14.020 1.00 3.13 H new ATOM 1076 N LYS A 80 -7.678 -0.617 -20.075 1.00 43.43 N ATOM 1077 CA LYS A 80 -8.918 -1.141 -20.635 1.00 43.35 C ATOM 1078 C LYS A 80 -8.716 -1.587 -22.080 1.00 72.11 C ATOM 1079 O LYS A 80 -8.765 -2.779 -22.384 1.00 14.41 O ATOM 1080 CB LYS A 80 -10.020 -0.081 -20.567 1.00 31.41 C ATOM 1081 CG LYS A 80 -11.378 -0.586 -21.025 1.00 3.05 C ATOM 1082 CD LYS A 80 -12.455 0.471 -20.845 1.00 22.43 C ATOM 1083 CE LYS A 80 -12.719 1.223 -22.140 1.00 11.12 C ATOM 1084 NZ LYS A 80 -13.757 2.277 -21.967 1.00 41.11 N ATOM 0 H LYS A 80 -7.739 0.346 -19.745 1.00 43.43 H new ATOM 0 HA LYS A 80 -9.218 -2.007 -20.044 1.00 43.35 H new ATOM 0 HB2 LYS A 80 -10.103 0.280 -19.542 1.00 31.41 H new ATOM 0 HB3 LYS A 80 -9.732 0.771 -21.183 1.00 31.41 H new ATOM 0 HG2 LYS A 80 -11.324 -0.877 -22.074 1.00 3.05 H new ATOM 0 HG3 LYS A 80 -11.645 -1.479 -20.460 1.00 3.05 H new ATOM 0 HD2 LYS A 80 -13.376 -0.001 -20.503 1.00 22.43 H new ATOM 0 HD3 LYS A 80 -12.150 1.174 -20.070 1.00 22.43 H new ATOM 0 HE2 LYS A 80 -11.793 1.679 -22.490 1.00 11.12 H new ATOM 0 HE3 LYS A 80 -13.039 0.520 -22.909 1.00 11.12 H new ATOM 0 HZ1 LYS A 80 -13.908 2.767 -22.872 1.00 41.11 H new ATOM 0 HZ2 LYS A 80 -14.648 1.839 -21.657 1.00 41.11 H new ATOM 0 HZ3 LYS A 80 -13.440 2.962 -21.251 1.00 41.11 H new ATOM 1098 N ALA A 81 -8.488 -0.623 -22.966 1.00 70.22 N ATOM 1099 CA ALA A 81 -8.276 -0.918 -24.378 1.00 5.12 C ATOM 1100 C ALA A 81 -6.961 -0.322 -24.871 1.00 74.32 C ATOM 1101 O ALA A 81 -6.398 0.589 -24.264 1.00 73.02 O ATOM 1102 CB ALA A 81 -9.439 -0.395 -25.207 1.00 42.51 C ATOM 0 H ALA A 81 -8.445 0.369 -22.731 1.00 70.22 H new ATOM 0 HA ALA A 81 -8.220 -2.000 -24.494 1.00 5.12 H new ATOM 0 HB1 ALA A 81 -9.267 -0.622 -26.259 1.00 42.51 H new ATOM 0 HB2 ALA A 81 -10.363 -0.871 -24.879 1.00 42.51 H new ATOM 0 HB3 ALA A 81 -9.522 0.684 -25.078 1.00 42.51 H new ATOM 1108 N PRO A 82 -6.459 -0.848 -25.998 1.00 42.22 N ATOM 1109 CA PRO A 82 -5.204 -0.383 -26.598 1.00 15.22 C ATOM 1110 C PRO A 82 -5.329 1.017 -27.190 1.00 22.12 C ATOM 1111 O PRO A 82 -6.425 1.556 -27.346 1.00 63.21 O ATOM 1112 CB PRO A 82 -4.937 -1.409 -27.702 1.00 55.41 C ATOM 1113 CG PRO A 82 -6.282 -1.948 -28.051 1.00 25.43 C ATOM 1114 CD PRO A 82 -7.077 -1.936 -26.774 1.00 64.04 C ATOM 0 HA PRO A 82 -4.403 -0.310 -25.863 1.00 15.22 H new ATOM 0 HB2 PRO A 82 -4.460 -0.946 -28.566 1.00 55.41 H new ATOM 0 HB3 PRO A 82 -4.271 -2.199 -27.355 1.00 55.41 H new ATOM 0 HG2 PRO A 82 -6.761 -1.336 -28.815 1.00 25.43 H new ATOM 0 HG3 PRO A 82 -6.205 -2.958 -28.453 1.00 25.43 H new ATOM 0 HD2 PRO A 82 -8.134 -1.746 -26.960 1.00 64.04 H new ATOM 0 HD3 PRO A 82 -7.012 -2.890 -26.251 1.00 64.04 H new ATOM 1122 N PRO A 83 -4.180 1.621 -27.528 1.00 13.50 N ATOM 1123 CA PRO A 83 -4.135 2.966 -28.109 1.00 41.53 C ATOM 1124 C PRO A 83 -4.686 3.003 -29.530 1.00 75.34 C ATOM 1125 O PRO A 83 -5.271 3.999 -29.954 1.00 42.41 O ATOM 1126 CB PRO A 83 -2.642 3.304 -28.106 1.00 61.04 C ATOM 1127 CG PRO A 83 -1.955 1.983 -28.138 1.00 23.41 C ATOM 1128 CD PRO A 83 -2.837 1.038 -27.370 1.00 14.45 C ATOM 0 HA PRO A 83 -4.747 3.672 -27.548 1.00 41.53 H new ATOM 0 HB2 PRO A 83 -2.372 3.912 -28.970 1.00 61.04 H new ATOM 0 HB3 PRO A 83 -2.366 3.872 -27.218 1.00 61.04 H new ATOM 0 HG2 PRO A 83 -1.816 1.640 -29.163 1.00 23.41 H new ATOM 0 HG3 PRO A 83 -0.965 2.047 -27.686 1.00 23.41 H new ATOM 0 HD2 PRO A 83 -2.788 0.026 -27.772 1.00 14.45 H new ATOM 0 HD3 PRO A 83 -2.545 0.979 -26.321 1.00 14.45 H new ATOM 1136 N MET A 84 -4.497 1.909 -30.262 1.00 12.23 N ATOM 1137 CA MET A 84 -4.978 1.816 -31.635 1.00 41.34 C ATOM 1138 C MET A 84 -4.324 2.879 -32.513 1.00 71.22 C ATOM 1139 O MET A 84 -4.802 4.011 -32.595 1.00 31.54 O ATOM 1140 CB MET A 84 -6.500 1.969 -31.677 1.00 44.32 C ATOM 1141 CG MET A 84 -7.223 0.721 -32.157 1.00 2.40 C ATOM 1142 SD MET A 84 -8.225 1.021 -33.626 1.00 31.24 S ATOM 1143 CE MET A 84 -9.875 0.933 -32.933 1.00 43.04 C ATOM 0 H MET A 84 -4.014 1.075 -29.927 1.00 12.23 H new ATOM 0 HA MET A 84 -4.708 0.833 -32.022 1.00 41.34 H new ATOM 0 HB2 MET A 84 -6.859 2.226 -30.680 1.00 44.32 H new ATOM 0 HB3 MET A 84 -6.755 2.802 -32.332 1.00 44.32 H new ATOM 0 HG2 MET A 84 -6.491 -0.057 -32.374 1.00 2.40 H new ATOM 0 HG3 MET A 84 -7.861 0.345 -31.357 1.00 2.40 H new ATOM 0 HE1 MET A 84 -10.610 1.099 -33.721 1.00 43.04 H new ATOM 0 HE2 MET A 84 -10.032 -0.051 -32.491 1.00 43.04 H new ATOM 0 HE3 MET A 84 -9.988 1.698 -32.165 1.00 43.04 H new ATOM 1153 N TYR A 85 -3.229 2.507 -33.168 1.00 14.35 N ATOM 1154 CA TYR A 85 -2.509 3.430 -34.037 1.00 62.50 C ATOM 1155 C TYR A 85 -2.474 2.911 -35.472 1.00 14.44 C ATOM 1156 O TYR A 85 -2.048 1.785 -35.727 1.00 3.13 O ATOM 1157 CB TYR A 85 -1.083 3.638 -33.524 1.00 41.31 C ATOM 1158 CG TYR A 85 -0.664 5.090 -33.475 1.00 2.24 C ATOM 1159 CD1 TYR A 85 -0.080 5.626 -32.333 1.00 42.33 C ATOM 1160 CD2 TYR A 85 -0.852 5.926 -34.568 1.00 54.11 C ATOM 1161 CE1 TYR A 85 0.304 6.952 -32.283 1.00 2.40 C ATOM 1162 CE2 TYR A 85 -0.470 7.253 -34.527 1.00 71.13 C ATOM 1163 CZ TYR A 85 0.107 7.761 -33.383 1.00 4.44 C ATOM 1164 OH TYR A 85 0.488 9.083 -33.338 1.00 22.05 O ATOM 0 H TYR A 85 -2.821 1.574 -33.113 1.00 14.35 H new ATOM 0 HA TYR A 85 -3.035 4.385 -34.027 1.00 62.50 H new ATOM 0 HB2 TYR A 85 -0.999 3.210 -32.525 1.00 41.31 H new ATOM 0 HB3 TYR A 85 -0.392 3.090 -34.164 1.00 41.31 H new ATOM 0 HD1 TYR A 85 0.076 4.995 -31.470 1.00 42.33 H new ATOM 0 HD2 TYR A 85 -1.305 5.532 -35.466 1.00 54.11 H new ATOM 0 HE1 TYR A 85 0.756 7.353 -31.388 1.00 2.40 H new ATOM 0 HE2 TYR A 85 -0.623 7.889 -35.387 1.00 71.13 H new ATOM 0 HH TYR A 85 0.281 9.512 -34.194 1.00 22.05 H new ATOM 1174 N ASP A 86 -2.926 3.742 -36.404 1.00 53.25 N ATOM 1175 CA ASP A 86 -2.946 3.371 -37.814 1.00 75.45 C ATOM 1176 C ASP A 86 -1.569 2.903 -38.273 1.00 23.01 C ATOM 1177 O ASP A 86 -1.443 1.891 -38.963 1.00 35.13 O ATOM 1178 CB ASP A 86 -3.408 4.552 -38.669 1.00 11.22 C ATOM 1179 CG ASP A 86 -4.823 4.986 -38.341 1.00 12.14 C ATOM 1180 OD1 ASP A 86 -5.772 4.324 -38.812 1.00 44.24 O ATOM 1181 OD2 ASP A 86 -4.982 5.987 -37.611 1.00 73.12 O ATOM 0 H ASP A 86 -3.284 4.677 -36.209 1.00 53.25 H new ATOM 0 HA ASP A 86 -3.649 2.547 -37.936 1.00 75.45 H new ATOM 0 HB2 ASP A 86 -2.730 5.392 -38.520 1.00 11.22 H new ATOM 0 HB3 ASP A 86 -3.350 4.279 -39.723 1.00 11.22 H new ATOM 1186 N ASP A 87 -0.538 3.647 -37.886 1.00 73.22 N ATOM 1187 CA ASP A 87 0.831 3.309 -38.257 1.00 71.34 C ATOM 1188 C ASP A 87 1.149 1.860 -37.900 1.00 52.11 C ATOM 1189 O ASP A 87 1.450 1.046 -38.773 1.00 54.02 O ATOM 1190 CB ASP A 87 1.817 4.247 -37.561 1.00 3.24 C ATOM 1191 CG ASP A 87 2.994 4.610 -38.445 1.00 0.31 C ATOM 1192 OD1 ASP A 87 3.562 5.707 -38.257 1.00 21.34 O ATOM 1193 OD2 ASP A 87 3.348 3.798 -39.325 1.00 35.24 O ATOM 0 H ASP A 87 -0.625 4.488 -37.315 1.00 73.22 H new ATOM 0 HA ASP A 87 0.929 3.428 -39.336 1.00 71.34 H new ATOM 0 HB2 ASP A 87 1.298 5.157 -37.261 1.00 3.24 H new ATOM 0 HB3 ASP A 87 2.183 3.773 -36.650 1.00 3.24 H new ATOM 1198 N VAL A 88 1.081 1.545 -36.610 1.00 41.43 N ATOM 1199 CA VAL A 88 1.362 0.195 -36.137 1.00 54.21 C ATOM 1200 C VAL A 88 0.259 -0.302 -35.209 1.00 1.00 C ATOM 1201 O VAL A 88 -0.119 0.381 -34.258 1.00 10.13 O ATOM 1202 CB VAL A 88 2.710 0.129 -35.396 1.00 2.11 C ATOM 1203 CG1 VAL A 88 2.984 -1.286 -34.910 1.00 60.25 C ATOM 1204 CG2 VAL A 88 3.836 0.621 -36.294 1.00 34.25 C ATOM 0 H VAL A 88 0.834 2.207 -35.874 1.00 41.43 H new ATOM 0 HA VAL A 88 1.409 -0.446 -37.017 1.00 54.21 H new ATOM 0 HB VAL A 88 2.658 0.783 -34.525 1.00 2.11 H new ATOM 0 HG11 VAL A 88 3.941 -1.313 -34.389 1.00 60.25 H new ATOM 0 HG12 VAL A 88 2.191 -1.597 -34.229 1.00 60.25 H new ATOM 0 HG13 VAL A 88 3.016 -1.964 -35.763 1.00 60.25 H new ATOM 0 HG21 VAL A 88 4.782 0.568 -35.754 1.00 34.25 H new ATOM 0 HG22 VAL A 88 3.891 -0.005 -37.185 1.00 34.25 H new ATOM 0 HG23 VAL A 88 3.643 1.653 -36.587 1.00 34.25 H new ATOM 1214 N GLN A 89 -0.252 -1.496 -35.492 1.00 41.24 N ATOM 1215 CA GLN A 89 -1.312 -2.084 -34.682 1.00 62.34 C ATOM 1216 C GLN A 89 -0.809 -2.408 -33.280 1.00 23.35 C ATOM 1217 O GLN A 89 0.106 -3.216 -33.107 1.00 53.55 O ATOM 1218 CB GLN A 89 -1.849 -3.352 -35.350 1.00 4.32 C ATOM 1219 CG GLN A 89 -2.562 -3.090 -36.667 1.00 20.45 C ATOM 1220 CD GLN A 89 -3.266 -4.321 -37.203 1.00 14.01 C ATOM 1221 OE1 GLN A 89 -4.496 -4.377 -37.247 1.00 43.01 O ATOM 1222 NE2 GLN A 89 -2.489 -5.316 -37.614 1.00 74.05 N ATOM 0 H GLN A 89 0.051 -2.075 -36.276 1.00 41.24 H new ATOM 0 HA GLN A 89 -2.119 -1.356 -34.599 1.00 62.34 H new ATOM 0 HB2 GLN A 89 -1.021 -4.039 -35.525 1.00 4.32 H new ATOM 0 HB3 GLN A 89 -2.537 -3.849 -34.666 1.00 4.32 H new ATOM 0 HG2 GLN A 89 -3.290 -2.291 -36.529 1.00 20.45 H new ATOM 0 HG3 GLN A 89 -1.839 -2.739 -37.404 1.00 20.45 H new ATOM 0 HE21 GLN A 89 -1.474 -5.227 -37.559 1.00 74.05 H new ATOM 0 HE22 GLN A 89 -2.907 -6.170 -37.984 1.00 74.05 H new ATOM 1231 N LEU A 90 -1.411 -1.774 -32.280 1.00 24.15 N ATOM 1232 CA LEU A 90 -1.023 -1.994 -30.890 1.00 74.44 C ATOM 1233 C LEU A 90 -1.998 -2.941 -30.197 1.00 13.41 C ATOM 1234 O LEU A 90 -3.215 -2.795 -30.319 1.00 32.34 O ATOM 1235 CB LEU A 90 -0.965 -0.663 -30.139 1.00 74.22 C ATOM 1236 CG LEU A 90 0.423 -0.206 -29.691 1.00 11.54 C ATOM 1237 CD1 LEU A 90 1.083 -1.270 -28.828 1.00 62.14 C ATOM 1238 CD2 LEU A 90 1.292 0.122 -30.896 1.00 70.42 C ATOM 0 H LEU A 90 -2.170 -1.104 -32.405 1.00 24.15 H new ATOM 0 HA LEU A 90 -0.033 -2.451 -30.882 1.00 74.44 H new ATOM 0 HB2 LEU A 90 -1.392 0.110 -30.777 1.00 74.22 H new ATOM 0 HB3 LEU A 90 -1.603 -0.737 -29.258 1.00 74.22 H new ATOM 0 HG LEU A 90 0.311 0.698 -29.093 1.00 11.54 H new ATOM 0 HD11 LEU A 90 2.070 -0.927 -28.519 1.00 62.14 H new ATOM 0 HD12 LEU A 90 0.470 -1.455 -27.946 1.00 62.14 H new ATOM 0 HD13 LEU A 90 1.182 -2.192 -29.400 1.00 62.14 H new ATOM 0 HD21 LEU A 90 2.276 0.446 -30.557 1.00 70.42 H new ATOM 0 HD22 LEU A 90 1.397 -0.765 -31.521 1.00 70.42 H new ATOM 0 HD23 LEU A 90 0.826 0.921 -31.474 1.00 70.42 H new ATOM 1250 N THR A 91 -1.456 -3.910 -29.467 1.00 21.24 N ATOM 1251 CA THR A 91 -2.277 -4.880 -28.752 1.00 50.35 C ATOM 1252 C THR A 91 -1.891 -4.947 -27.279 1.00 75.52 C ATOM 1253 O THR A 91 -0.859 -5.515 -26.924 1.00 31.04 O ATOM 1254 CB THR A 91 -2.151 -6.285 -29.370 1.00 31.44 C ATOM 1255 OG1 THR A 91 -1.747 -6.185 -30.740 1.00 15.52 O ATOM 1256 CG2 THR A 91 -3.471 -7.037 -29.278 1.00 42.43 C ATOM 0 H THR A 91 -0.451 -4.044 -29.355 1.00 21.24 H new ATOM 0 HA THR A 91 -3.311 -4.545 -28.838 1.00 50.35 H new ATOM 0 HB THR A 91 -1.396 -6.837 -28.810 1.00 31.44 H new ATOM 0 HG1 THR A 91 -1.668 -7.083 -31.124 1.00 15.52 H new ATOM 0 HG21 THR A 91 -3.358 -8.027 -29.721 1.00 42.43 H new ATOM 0 HG22 THR A 91 -3.760 -7.138 -28.232 1.00 42.43 H new ATOM 0 HG23 THR A 91 -4.242 -6.485 -29.815 1.00 42.43 H new ATOM 1264 N ALA A 92 -2.728 -4.366 -26.426 1.00 51.41 N ATOM 1265 CA ALA A 92 -2.476 -4.363 -24.990 1.00 44.25 C ATOM 1266 C ALA A 92 -3.488 -5.233 -24.253 1.00 50.13 C ATOM 1267 O ALA A 92 -4.657 -5.297 -24.633 1.00 23.32 O ATOM 1268 CB ALA A 92 -2.508 -2.940 -24.452 1.00 31.23 C ATOM 0 H ALA A 92 -3.587 -3.891 -26.704 1.00 51.41 H new ATOM 0 HA ALA A 92 -1.484 -4.782 -24.819 1.00 44.25 H new ATOM 0 HB1 ALA A 92 -2.318 -2.952 -23.379 1.00 31.23 H new ATOM 0 HB2 ALA A 92 -1.741 -2.346 -24.949 1.00 31.23 H new ATOM 0 HB3 ALA A 92 -3.487 -2.501 -24.642 1.00 31.23 H new ATOM 1274 N GLU A 93 -3.031 -5.901 -23.199 1.00 3.12 N ATOM 1275 CA GLU A 93 -3.898 -6.768 -22.410 1.00 63.42 C ATOM 1276 C GLU A 93 -4.119 -6.193 -21.015 1.00 15.45 C ATOM 1277 O GLU A 93 -3.424 -5.267 -20.596 1.00 33.51 O ATOM 1278 CB GLU A 93 -3.294 -8.171 -22.305 1.00 53.44 C ATOM 1279 CG GLU A 93 -3.661 -9.079 -23.467 1.00 31.44 C ATOM 1280 CD GLU A 93 -5.128 -9.462 -23.467 1.00 54.11 C ATOM 1281 OE1 GLU A 93 -5.569 -10.121 -22.502 1.00 54.12 O ATOM 1282 OE2 GLU A 93 -5.835 -9.103 -24.432 1.00 13.12 O ATOM 0 H GLU A 93 -2.066 -5.859 -22.872 1.00 3.12 H new ATOM 0 HA GLU A 93 -4.862 -6.831 -22.915 1.00 63.42 H new ATOM 0 HB2 GLU A 93 -2.209 -8.087 -22.249 1.00 53.44 H new ATOM 0 HB3 GLU A 93 -3.627 -8.632 -21.375 1.00 53.44 H new ATOM 0 HG2 GLU A 93 -3.420 -8.578 -24.405 1.00 31.44 H new ATOM 0 HG3 GLU A 93 -3.053 -9.983 -23.423 1.00 31.44 H new ATOM 1289 N MET A 94 -5.093 -6.747 -20.300 1.00 54.21 N ATOM 1290 CA MET A 94 -5.407 -6.289 -18.951 1.00 62.14 C ATOM 1291 C MET A 94 -4.832 -7.241 -17.907 1.00 74.01 C ATOM 1292 O MET A 94 -4.670 -8.434 -18.162 1.00 62.53 O ATOM 1293 CB MET A 94 -6.921 -6.168 -18.770 1.00 11.11 C ATOM 1294 CG MET A 94 -7.336 -5.000 -17.890 1.00 30.35 C ATOM 1295 SD MET A 94 -9.126 -4.824 -17.768 1.00 34.22 S ATOM 1296 CE MET A 94 -9.272 -3.898 -16.242 1.00 34.25 C ATOM 0 H MET A 94 -5.678 -7.513 -20.632 1.00 54.21 H new ATOM 0 HA MET A 94 -4.953 -5.308 -18.812 1.00 62.14 H new ATOM 0 HB2 MET A 94 -7.388 -6.059 -19.749 1.00 11.11 H new ATOM 0 HB3 MET A 94 -7.302 -7.093 -18.336 1.00 11.11 H new ATOM 0 HG2 MET A 94 -6.919 -5.136 -16.892 1.00 30.35 H new ATOM 0 HG3 MET A 94 -6.911 -4.080 -18.290 1.00 30.35 H new ATOM 0 HE1 MET A 94 -10.324 -3.710 -16.030 1.00 34.25 H new ATOM 0 HE2 MET A 94 -8.834 -4.471 -15.425 1.00 34.25 H new ATOM 0 HE3 MET A 94 -8.747 -2.948 -16.341 1.00 34.25 H new ATOM 1306 N LYS A 95 -4.526 -6.706 -16.730 1.00 52.10 N ATOM 1307 CA LYS A 95 -3.971 -7.507 -15.646 1.00 24.20 C ATOM 1308 C LYS A 95 -4.937 -8.614 -15.237 1.00 13.12 C ATOM 1309 O LYS A 95 -4.521 -9.719 -14.888 1.00 30.22 O ATOM 1310 CB LYS A 95 -3.654 -6.621 -14.440 1.00 4.44 C ATOM 1311 CG LYS A 95 -4.855 -5.854 -13.915 1.00 75.05 C ATOM 1312 CD LYS A 95 -4.444 -4.790 -12.911 1.00 60.44 C ATOM 1313 CE LYS A 95 -5.266 -3.521 -13.075 1.00 70.24 C ATOM 1314 NZ LYS A 95 -4.835 -2.455 -12.129 1.00 71.12 N ATOM 0 H LYS A 95 -4.653 -5.720 -16.503 1.00 52.10 H new ATOM 0 HA LYS A 95 -3.050 -7.967 -16.003 1.00 24.20 H new ATOM 0 HB2 LYS A 95 -3.252 -7.242 -13.639 1.00 4.44 H new ATOM 0 HB3 LYS A 95 -2.873 -5.912 -14.716 1.00 4.44 H new ATOM 0 HG2 LYS A 95 -5.381 -5.386 -14.747 1.00 75.05 H new ATOM 0 HG3 LYS A 95 -5.553 -6.547 -13.446 1.00 75.05 H new ATOM 0 HD2 LYS A 95 -4.567 -5.176 -11.899 1.00 60.44 H new ATOM 0 HD3 LYS A 95 -3.386 -4.558 -13.037 1.00 60.44 H new ATOM 0 HE2 LYS A 95 -5.173 -3.158 -14.098 1.00 70.24 H new ATOM 0 HE3 LYS A 95 -6.320 -3.747 -12.912 1.00 70.24 H new ATOM 0 HZ1 LYS A 95 -5.419 -1.607 -12.272 1.00 71.12 H new ATOM 0 HZ2 LYS A 95 -4.948 -2.792 -11.152 1.00 71.12 H new ATOM 0 HZ3 LYS A 95 -3.837 -2.221 -12.301 1.00 71.12 H new ATOM 1328 N THR A 96 -6.231 -8.311 -15.283 1.00 0.40 N ATOM 1329 CA THR A 96 -7.257 -9.279 -14.918 1.00 24.45 C ATOM 1330 C THR A 96 -7.190 -10.514 -15.810 1.00 10.42 C ATOM 1331 O THR A 96 -7.223 -11.646 -15.326 1.00 11.42 O ATOM 1332 CB THR A 96 -8.667 -8.667 -15.012 1.00 21.10 C ATOM 1333 OG1 THR A 96 -8.576 -7.242 -15.123 1.00 20.35 O ATOM 1334 CG2 THR A 96 -9.499 -9.034 -13.792 1.00 61.15 C ATOM 0 H THR A 96 -6.593 -7.402 -15.570 1.00 0.40 H new ATOM 0 HA THR A 96 -7.064 -9.569 -13.885 1.00 24.45 H new ATOM 0 HB THR A 96 -9.156 -9.070 -15.899 1.00 21.10 H new ATOM 0 HG1 THR A 96 -8.781 -6.972 -16.042 1.00 20.35 H new ATOM 0 HG21 THR A 96 -10.491 -8.590 -13.881 1.00 61.15 H new ATOM 0 HG22 THR A 96 -9.591 -10.118 -13.727 1.00 61.15 H new ATOM 0 HG23 THR A 96 -9.012 -8.657 -12.893 1.00 61.15 H new ATOM 1342 N THR A 97 -7.095 -10.289 -17.117 1.00 34.03 N ATOM 1343 CA THR A 97 -7.025 -11.383 -18.077 1.00 65.00 C ATOM 1344 C THR A 97 -5.873 -12.327 -17.751 1.00 61.10 C ATOM 1345 O THR A 97 -6.064 -13.538 -17.635 1.00 42.12 O ATOM 1346 CB THR A 97 -6.852 -10.858 -19.515 1.00 23.12 C ATOM 1347 OG1 THR A 97 -7.509 -9.594 -19.657 1.00 73.13 O ATOM 1348 CG2 THR A 97 -7.418 -11.846 -20.523 1.00 63.44 C ATOM 0 H THR A 97 -7.065 -9.359 -17.534 1.00 34.03 H new ATOM 0 HA THR A 97 -7.967 -11.926 -18.007 1.00 65.00 H new ATOM 0 HB THR A 97 -5.786 -10.736 -19.709 1.00 23.12 H new ATOM 0 HG1 THR A 97 -7.393 -9.266 -20.573 1.00 73.13 H new ATOM 0 HG21 THR A 97 -7.285 -11.454 -21.531 1.00 63.44 H new ATOM 0 HG22 THR A 97 -6.896 -12.798 -20.432 1.00 63.44 H new ATOM 0 HG23 THR A 97 -8.480 -11.995 -20.329 1.00 63.44 H new ATOM 1356 N TYR A 98 -4.678 -11.766 -17.603 1.00 60.04 N ATOM 1357 CA TYR A 98 -3.495 -12.559 -17.292 1.00 44.21 C ATOM 1358 C TYR A 98 -3.690 -13.345 -16.000 1.00 33.45 C ATOM 1359 O TYR A 98 -3.426 -14.547 -15.944 1.00 24.13 O ATOM 1360 CB TYR A 98 -2.267 -11.655 -17.171 1.00 43.30 C ATOM 1361 CG TYR A 98 -1.495 -11.506 -18.463 1.00 4.14 C ATOM 1362 CD1 TYR A 98 -1.734 -10.438 -19.319 1.00 33.02 C ATOM 1363 CD2 TYR A 98 -0.527 -12.433 -18.827 1.00 65.32 C ATOM 1364 CE1 TYR A 98 -1.032 -10.298 -20.500 1.00 60.22 C ATOM 1365 CE2 TYR A 98 0.182 -12.301 -20.006 1.00 14.41 C ATOM 1366 CZ TYR A 98 -0.075 -11.232 -20.839 1.00 42.30 C ATOM 1367 OH TYR A 98 0.627 -11.097 -22.015 1.00 5.23 O ATOM 0 H TYR A 98 -4.503 -10.765 -17.693 1.00 60.04 H new ATOM 0 HA TYR A 98 -3.339 -13.267 -18.106 1.00 44.21 H new ATOM 0 HB2 TYR A 98 -2.584 -10.669 -16.831 1.00 43.30 H new ATOM 0 HB3 TYR A 98 -1.604 -12.058 -16.406 1.00 43.30 H new ATOM 0 HD1 TYR A 98 -2.482 -9.704 -19.056 1.00 33.02 H new ATOM 0 HD2 TYR A 98 -0.325 -13.272 -18.177 1.00 65.32 H new ATOM 0 HE1 TYR A 98 -1.231 -9.462 -21.154 1.00 60.22 H new ATOM 0 HE2 TYR A 98 0.932 -13.030 -20.273 1.00 14.41 H new ATOM 0 HH TYR A 98 1.263 -11.837 -22.103 1.00 5.23 H new ATOM 1377 N LEU A 99 -4.156 -12.659 -14.962 1.00 53.01 N ATOM 1378 CA LEU A 99 -4.389 -13.292 -13.668 1.00 53.34 C ATOM 1379 C LEU A 99 -5.271 -14.528 -13.818 1.00 1.54 C ATOM 1380 O LEU A 99 -4.996 -15.572 -13.228 1.00 13.24 O ATOM 1381 CB LEU A 99 -5.041 -12.300 -12.703 1.00 40.24 C ATOM 1382 CG LEU A 99 -5.511 -12.874 -11.366 1.00 64.13 C ATOM 1383 CD1 LEU A 99 -4.978 -12.041 -10.211 1.00 21.11 C ATOM 1384 CD2 LEU A 99 -7.030 -12.944 -11.320 1.00 11.40 C ATOM 0 H LEU A 99 -4.380 -11.664 -14.991 1.00 53.01 H new ATOM 0 HA LEU A 99 -3.425 -13.602 -13.264 1.00 53.34 H new ATOM 0 HB2 LEU A 99 -4.330 -11.499 -12.502 1.00 40.24 H new ATOM 0 HB3 LEU A 99 -5.898 -11.848 -13.203 1.00 40.24 H new ATOM 0 HG LEU A 99 -5.118 -13.886 -11.268 1.00 64.13 H new ATOM 0 HD11 LEU A 99 -5.323 -12.464 -9.268 1.00 21.11 H new ATOM 0 HD12 LEU A 99 -3.888 -12.043 -10.233 1.00 21.11 H new ATOM 0 HD13 LEU A 99 -5.341 -11.017 -10.303 1.00 21.11 H new ATOM 0 HD21 LEU A 99 -7.346 -13.355 -10.361 1.00 11.40 H new ATOM 0 HD22 LEU A 99 -7.444 -11.943 -11.440 1.00 11.40 H new ATOM 0 HD23 LEU A 99 -7.389 -13.584 -12.126 1.00 11.40 H new ATOM 1396 N GLU A 100 -6.329 -14.401 -14.612 1.00 14.21 N ATOM 1397 CA GLU A 100 -7.250 -15.509 -14.839 1.00 41.52 C ATOM 1398 C GLU A 100 -6.565 -16.637 -15.605 1.00 22.05 C ATOM 1399 O GLU A 100 -6.792 -17.815 -15.329 1.00 62.30 O ATOM 1400 CB GLU A 100 -8.481 -15.028 -15.611 1.00 44.11 C ATOM 1401 CG GLU A 100 -9.563 -16.085 -15.750 1.00 61.24 C ATOM 1402 CD GLU A 100 -10.955 -15.489 -15.827 1.00 1.45 C ATOM 1403 OE1 GLU A 100 -11.866 -16.024 -15.161 1.00 11.44 O ATOM 1404 OE2 GLU A 100 -11.133 -14.488 -16.551 1.00 53.25 O ATOM 0 H GLU A 100 -6.570 -13.543 -15.109 1.00 14.21 H new ATOM 0 HA GLU A 100 -7.565 -15.891 -13.868 1.00 41.52 H new ATOM 0 HB2 GLU A 100 -8.899 -14.157 -15.106 1.00 44.11 H new ATOM 0 HB3 GLU A 100 -8.172 -14.703 -16.605 1.00 44.11 H new ATOM 0 HG2 GLU A 100 -9.375 -16.676 -16.646 1.00 61.24 H new ATOM 0 HG3 GLU A 100 -9.510 -16.767 -14.901 1.00 61.24 H new ATOM 1411 N ARG A 101 -5.726 -16.267 -16.567 1.00 31.41 N ATOM 1412 CA ARG A 101 -5.009 -17.247 -17.374 1.00 31.54 C ATOM 1413 C ARG A 101 -4.152 -18.153 -16.494 1.00 31.20 C ATOM 1414 O ARG A 101 -4.303 -19.375 -16.509 1.00 10.02 O ATOM 1415 CB ARG A 101 -4.130 -16.543 -18.408 1.00 44.21 C ATOM 1416 CG ARG A 101 -4.642 -16.673 -19.833 1.00 62.41 C ATOM 1417 CD ARG A 101 -5.512 -15.489 -20.223 1.00 33.01 C ATOM 1418 NE ARG A 101 -6.048 -15.625 -21.575 1.00 3.31 N ATOM 1419 CZ ARG A 101 -5.315 -15.480 -22.673 1.00 50.14 C ATOM 1420 NH1 ARG A 101 -4.023 -15.197 -22.580 1.00 51.11 N ATOM 1421 NH2 ARG A 101 -5.875 -15.619 -23.869 1.00 5.24 N ATOM 0 H ARG A 101 -5.526 -15.296 -16.807 1.00 31.41 H new ATOM 0 HA ARG A 101 -5.745 -17.862 -17.892 1.00 31.54 H new ATOM 0 HB2 ARG A 101 -4.058 -15.486 -18.152 1.00 44.21 H new ATOM 0 HB3 ARG A 101 -3.122 -16.953 -18.355 1.00 44.21 H new ATOM 0 HG2 ARG A 101 -3.798 -16.747 -20.519 1.00 62.41 H new ATOM 0 HG3 ARG A 101 -5.215 -17.595 -19.932 1.00 62.41 H new ATOM 0 HD2 ARG A 101 -6.335 -15.395 -19.515 1.00 33.01 H new ATOM 0 HD3 ARG A 101 -4.927 -14.572 -20.156 1.00 33.01 H new ATOM 0 HE ARG A 101 -7.039 -15.843 -21.682 1.00 3.31 H new ATOM 0 HH11 ARG A 101 -3.589 -15.090 -21.663 1.00 51.11 H new ATOM 0 HH12 ARG A 101 -3.463 -15.086 -23.425 1.00 51.11 H new ATOM 0 HH21 ARG A 101 -6.869 -15.837 -23.945 1.00 5.24 H new ATOM 0 HH22 ARG A 101 -5.312 -15.508 -24.712 1.00 5.24 H new ATOM 1435 N LYS A 102 -3.252 -17.546 -15.729 1.00 4.23 N ATOM 1436 CA LYS A 102 -2.370 -18.296 -14.842 1.00 13.45 C ATOM 1437 C LYS A 102 -3.174 -19.061 -13.796 1.00 33.25 C ATOM 1438 O LYS A 102 -2.862 -20.208 -13.476 1.00 2.32 O ATOM 1439 CB LYS A 102 -1.384 -17.351 -14.151 1.00 41.11 C ATOM 1440 CG LYS A 102 -2.056 -16.255 -13.342 1.00 31.54 C ATOM 1441 CD LYS A 102 -1.043 -15.261 -12.799 1.00 61.25 C ATOM 1442 CE LYS A 102 -0.107 -15.912 -11.793 1.00 20.24 C ATOM 1443 NZ LYS A 102 0.162 -15.022 -10.630 1.00 23.04 N ATOM 0 H LYS A 102 -3.114 -16.536 -15.705 1.00 4.23 H new ATOM 0 HA LYS A 102 -1.814 -19.014 -15.445 1.00 13.45 H new ATOM 0 HB2 LYS A 102 -0.737 -17.932 -13.493 1.00 41.11 H new ATOM 0 HB3 LYS A 102 -0.743 -16.893 -14.905 1.00 41.11 H new ATOM 0 HG2 LYS A 102 -2.781 -15.733 -13.967 1.00 31.54 H new ATOM 0 HG3 LYS A 102 -2.610 -16.700 -12.515 1.00 31.54 H new ATOM 0 HD2 LYS A 102 -0.462 -14.846 -13.622 1.00 61.25 H new ATOM 0 HD3 LYS A 102 -1.565 -14.429 -12.326 1.00 61.25 H new ATOM 0 HE2 LYS A 102 -0.544 -16.847 -11.442 1.00 20.24 H new ATOM 0 HE3 LYS A 102 0.834 -16.164 -12.282 1.00 20.24 H new ATOM 0 HZ1 LYS A 102 0.804 -15.502 -9.967 1.00 23.04 H new ATOM 0 HZ2 LYS A 102 0.603 -14.140 -10.962 1.00 23.04 H new ATOM 0 HZ3 LYS A 102 -0.732 -14.801 -10.147 1.00 23.04 H new ATOM 1457 N ALA A 103 -4.212 -18.420 -13.267 1.00 45.12 N ATOM 1458 CA ALA A 103 -5.062 -19.042 -12.260 1.00 71.22 C ATOM 1459 C ALA A 103 -5.623 -20.370 -12.759 1.00 42.55 C ATOM 1460 O ALA A 103 -5.630 -21.363 -12.033 1.00 44.31 O ATOM 1461 CB ALA A 103 -6.193 -18.102 -11.871 1.00 33.21 C ATOM 0 H ALA A 103 -4.484 -17.470 -13.520 1.00 45.12 H new ATOM 0 HA ALA A 103 -4.452 -19.243 -11.379 1.00 71.22 H new ATOM 0 HB1 ALA A 103 -6.820 -18.579 -11.118 1.00 33.21 H new ATOM 0 HB2 ALA A 103 -5.777 -17.180 -11.465 1.00 33.21 H new ATOM 0 HB3 ALA A 103 -6.794 -17.872 -12.751 1.00 33.21 H new ATOM 1467 N GLU A 104 -6.093 -20.378 -14.003 1.00 2.00 N ATOM 1468 CA GLU A 104 -6.657 -21.584 -14.597 1.00 51.04 C ATOM 1469 C GLU A 104 -5.561 -22.594 -14.923 1.00 63.14 C ATOM 1470 O GLU A 104 -5.755 -23.801 -14.787 1.00 71.42 O ATOM 1471 CB GLU A 104 -7.439 -21.236 -15.866 1.00 20.31 C ATOM 1472 CG GLU A 104 -8.813 -21.882 -15.930 1.00 50.20 C ATOM 1473 CD GLU A 104 -8.778 -23.270 -16.540 1.00 3.32 C ATOM 1474 OE1 GLU A 104 -8.424 -23.384 -17.732 1.00 62.30 O ATOM 1475 OE2 GLU A 104 -9.104 -24.241 -15.826 1.00 10.44 O ATOM 0 H GLU A 104 -6.094 -19.564 -14.618 1.00 2.00 H new ATOM 0 HA GLU A 104 -7.336 -22.032 -13.871 1.00 51.04 H new ATOM 0 HB2 GLU A 104 -7.552 -20.154 -15.928 1.00 20.31 H new ATOM 0 HB3 GLU A 104 -6.860 -21.546 -16.736 1.00 20.31 H new ATOM 0 HG2 GLU A 104 -9.229 -21.942 -14.924 1.00 50.20 H new ATOM 0 HG3 GLU A 104 -9.481 -21.249 -16.514 1.00 50.20 H new ATOM 1482 N GLU A 105 -4.409 -22.090 -15.355 1.00 41.21 N ATOM 1483 CA GLU A 105 -3.282 -22.948 -15.702 1.00 32.11 C ATOM 1484 C GLU A 105 -2.888 -23.832 -14.522 1.00 10.20 C ATOM 1485 O GLU A 105 -2.868 -25.058 -14.631 1.00 64.22 O ATOM 1486 CB GLU A 105 -2.085 -22.103 -16.142 1.00 52.15 C ATOM 1487 CG GLU A 105 -0.951 -22.919 -16.740 1.00 11.40 C ATOM 1488 CD GLU A 105 0.000 -22.077 -17.569 1.00 15.43 C ATOM 1489 OE1 GLU A 105 0.643 -21.172 -16.996 1.00 22.40 O ATOM 1490 OE2 GLU A 105 0.100 -22.321 -18.789 1.00 73.20 O ATOM 0 H GLU A 105 -4.232 -21.092 -15.473 1.00 41.21 H new ATOM 0 HA GLU A 105 -3.588 -23.589 -16.529 1.00 32.11 H new ATOM 0 HB2 GLU A 105 -2.419 -21.369 -16.875 1.00 52.15 H new ATOM 0 HB3 GLU A 105 -1.708 -21.547 -15.283 1.00 52.15 H new ATOM 0 HG2 GLU A 105 -0.395 -23.404 -15.938 1.00 11.40 H new ATOM 0 HG3 GLU A 105 -1.367 -23.710 -17.363 1.00 11.40 H new ATOM 1497 N ILE A 106 -2.575 -23.200 -13.396 1.00 13.12 N ATOM 1498 CA ILE A 106 -2.182 -23.928 -12.196 1.00 13.13 C ATOM 1499 C ILE A 106 -3.333 -24.777 -11.666 1.00 61.24 C ATOM 1500 O ILE A 106 -3.119 -25.859 -11.121 1.00 32.24 O ATOM 1501 CB ILE A 106 -1.712 -22.970 -11.085 1.00 35.32 C ATOM 1502 CG1 ILE A 106 -1.243 -23.763 -9.863 1.00 13.21 C ATOM 1503 CG2 ILE A 106 -2.831 -22.012 -10.704 1.00 1.12 C ATOM 1504 CD1 ILE A 106 0.168 -23.430 -9.432 1.00 40.13 C ATOM 0 H ILE A 106 -2.586 -22.186 -13.290 1.00 13.12 H new ATOM 0 HA ILE A 106 -1.354 -24.578 -12.479 1.00 13.13 H new ATOM 0 HB ILE A 106 -0.872 -22.386 -11.460 1.00 35.32 H new ATOM 0 HG12 ILE A 106 -1.923 -23.571 -9.033 1.00 13.21 H new ATOM 0 HG13 ILE A 106 -1.304 -24.828 -10.086 1.00 13.21 H new ATOM 0 HG21 ILE A 106 -2.484 -21.341 -9.918 1.00 1.12 H new ATOM 0 HG22 ILE A 106 -3.123 -21.428 -11.577 1.00 1.12 H new ATOM 0 HG23 ILE A 106 -3.689 -22.580 -10.344 1.00 1.12 H new ATOM 0 HD11 ILE A 106 0.433 -24.029 -8.561 1.00 40.13 H new ATOM 0 HD12 ILE A 106 0.858 -23.648 -10.247 1.00 40.13 H new ATOM 0 HD13 ILE A 106 0.231 -22.372 -9.177 1.00 40.13 H new ATOM 1516 N ALA A 107 -4.554 -24.280 -11.833 1.00 41.43 N ATOM 1517 CA ALA A 107 -5.739 -24.994 -11.376 1.00 31.20 C ATOM 1518 C ALA A 107 -5.888 -26.329 -12.098 1.00 20.11 C ATOM 1519 O ALA A 107 -6.160 -27.355 -11.475 1.00 63.24 O ATOM 1520 CB ALA A 107 -6.982 -24.140 -11.580 1.00 22.21 C ATOM 0 H ALA A 107 -4.748 -23.385 -12.282 1.00 41.43 H new ATOM 0 HA ALA A 107 -5.622 -25.197 -10.312 1.00 31.20 H new ATOM 0 HB1 ALA A 107 -7.860 -24.686 -11.234 1.00 22.21 H new ATOM 0 HB2 ALA A 107 -6.884 -23.214 -11.013 1.00 22.21 H new ATOM 0 HB3 ALA A 107 -7.094 -23.907 -12.639 1.00 22.21 H new ATOM 1526 N ALA A 108 -5.709 -26.308 -13.415 1.00 1.44 N ATOM 1527 CA ALA A 108 -5.822 -27.517 -14.221 1.00 11.32 C ATOM 1528 C ALA A 108 -4.693 -28.493 -13.908 1.00 41.32 C ATOM 1529 O ALA A 108 -4.915 -29.698 -13.787 1.00 51.45 O ATOM 1530 CB ALA A 108 -5.824 -27.166 -15.701 1.00 53.33 C ATOM 0 H ALA A 108 -5.485 -25.467 -13.946 1.00 1.44 H new ATOM 0 HA ALA A 108 -6.766 -28.003 -13.973 1.00 11.32 H new ATOM 0 HB1 ALA A 108 -5.909 -28.078 -16.291 1.00 53.33 H new ATOM 0 HB2 ALA A 108 -6.669 -26.513 -15.919 1.00 53.33 H new ATOM 0 HB3 ALA A 108 -4.895 -26.655 -15.955 1.00 53.33 H new ATOM 1536 N LYS A 109 -3.480 -27.965 -13.779 1.00 33.32 N ATOM 1537 CA LYS A 109 -2.315 -28.789 -13.480 1.00 30.13 C ATOM 1538 C LYS A 109 -2.453 -29.451 -12.112 1.00 40.42 C ATOM 1539 O LYS A 109 -2.288 -30.663 -11.978 1.00 75.41 O ATOM 1540 CB LYS A 109 -1.041 -27.942 -13.522 1.00 13.20 C ATOM 1541 CG LYS A 109 -0.716 -27.402 -14.904 1.00 5.12 C ATOM 1542 CD LYS A 109 0.679 -27.811 -15.348 1.00 1.44 C ATOM 1543 CE LYS A 109 1.752 -27.036 -14.598 1.00 30.03 C ATOM 1544 NZ LYS A 109 1.843 -25.624 -15.061 1.00 53.23 N ATOM 0 H LYS A 109 -3.279 -26.970 -13.877 1.00 33.32 H new ATOM 0 HA LYS A 109 -2.250 -29.570 -14.237 1.00 30.13 H new ATOM 0 HB2 LYS A 109 -1.147 -27.106 -12.830 1.00 13.20 H new ATOM 0 HB3 LYS A 109 -0.203 -28.543 -13.170 1.00 13.20 H new ATOM 0 HG2 LYS A 109 -1.450 -27.770 -15.621 1.00 5.12 H new ATOM 0 HG3 LYS A 109 -0.793 -26.315 -14.898 1.00 5.12 H new ATOM 0 HD2 LYS A 109 0.817 -28.879 -15.181 1.00 1.44 H new ATOM 0 HD3 LYS A 109 0.786 -27.639 -16.419 1.00 1.44 H new ATOM 0 HE2 LYS A 109 1.534 -27.055 -13.530 1.00 30.03 H new ATOM 0 HE3 LYS A 109 2.716 -27.526 -14.735 1.00 30.03 H new ATOM 0 HZ1 LYS A 109 2.698 -25.184 -14.666 1.00 53.23 H new ATOM 0 HZ2 LYS A 109 1.890 -25.602 -16.100 1.00 53.23 H new ATOM 0 HZ3 LYS A 109 1.004 -25.099 -14.741 1.00 53.23 H new ATOM 1558 N LYS A 110 -2.757 -28.647 -11.099 1.00 53.41 N ATOM 1559 CA LYS A 110 -2.921 -29.154 -9.742 1.00 4.42 C ATOM 1560 C LYS A 110 -4.310 -29.752 -9.548 1.00 70.41 C ATOM 1561 O LYS A 110 -4.470 -30.767 -8.869 1.00 12.11 O ATOM 1562 CB LYS A 110 -2.691 -28.033 -8.726 1.00 5.44 C ATOM 1563 CG LYS A 110 -1.238 -27.605 -8.610 1.00 64.21 C ATOM 1564 CD LYS A 110 -0.461 -28.516 -7.674 1.00 12.12 C ATOM 1565 CE LYS A 110 -0.554 -28.042 -6.231 1.00 61.15 C ATOM 1566 NZ LYS A 110 0.774 -27.636 -5.694 1.00 64.34 N ATOM 0 H LYS A 110 -2.895 -27.641 -11.192 1.00 53.41 H new ATOM 0 HA LYS A 110 -2.182 -29.939 -9.583 1.00 4.42 H new ATOM 0 HB2 LYS A 110 -3.294 -27.170 -9.008 1.00 5.44 H new ATOM 0 HB3 LYS A 110 -3.043 -28.362 -7.748 1.00 5.44 H new ATOM 0 HG2 LYS A 110 -0.775 -27.615 -9.597 1.00 64.21 H new ATOM 0 HG3 LYS A 110 -1.188 -26.579 -8.245 1.00 64.21 H new ATOM 0 HD2 LYS A 110 -0.847 -29.532 -7.750 1.00 12.12 H new ATOM 0 HD3 LYS A 110 0.584 -28.549 -7.981 1.00 12.12 H new ATOM 0 HE2 LYS A 110 -1.244 -27.200 -6.169 1.00 61.15 H new ATOM 0 HE3 LYS A 110 -0.967 -28.839 -5.613 1.00 61.15 H new ATOM 0 HZ1 LYS A 110 0.668 -27.320 -4.709 1.00 64.34 H new ATOM 0 HZ2 LYS A 110 1.425 -28.446 -5.729 1.00 64.34 H new ATOM 0 HZ3 LYS A 110 1.158 -26.858 -6.268 1.00 64.34 H new