USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 80 LYS NZ :NH3+ -138:sc= 0.32 (180deg=-0.0828) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.554 K(o=0.87,f=-0.89) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.143 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -114:sc= 0.357 (180deg=-0.0014) USER MOD Single : A 9 SER OG : rot 75:sc= 1.47 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.198 USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= -0.0428 (180deg=-0.215) USER MOD Single : A 16 CYS SG : rot 73:sc= 0.663 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.26) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00509 USER MOD Single : A 45 MET CE :methyl 175:sc= 0 (180deg=-0.0281) USER MOD Single : A 63 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.57) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.349 USER MOD Single : A 81 SER OG : rot -75:sc= 1.25 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00379 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= -0.0208 (180deg=-0.342) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.403 -7.666 -2.501 1.00 70.54 N ATOM 2 CA GLY A 1 -1.392 -6.641 -2.839 1.00 74.34 C ATOM 3 C GLY A 1 -2.001 -5.514 -3.625 1.00 42.53 C ATOM 4 O GLY A 1 -3.172 -5.596 -3.959 1.00 54.45 O ATOM 0 H1 GLY A 1 -2.495 -7.735 -1.467 1.00 70.54 H new ATOM 0 H2 GLY A 1 -3.320 -7.399 -2.914 1.00 70.54 H new ATOM 0 H3 GLY A 1 -2.106 -8.586 -2.884 1.00 70.54 H new ATOM 0 HA2 GLY A 1 -0.947 -6.250 -1.924 1.00 74.34 H new ATOM 0 HA3 GLY A 1 -0.587 -7.097 -3.416 1.00 74.34 H new ATOM 8 N ALA A 2 -1.235 -4.471 -3.913 1.00 63.12 N ATOM 9 CA ALA A 2 -1.736 -3.350 -4.704 1.00 4.25 C ATOM 10 C ALA A 2 -1.836 -3.787 -6.168 1.00 31.30 C ATOM 11 O ALA A 2 -1.174 -4.738 -6.581 1.00 54.44 O ATOM 12 CB ALA A 2 -0.786 -2.150 -4.569 1.00 3.52 C ATOM 0 H ALA A 2 -0.265 -4.375 -3.612 1.00 63.12 H new ATOM 0 HA ALA A 2 -2.721 -3.051 -4.345 1.00 4.25 H new ATOM 0 HB1 ALA A 2 -1.165 -1.317 -5.161 1.00 3.52 H new ATOM 0 HB2 ALA A 2 -0.723 -1.852 -3.522 1.00 3.52 H new ATOM 0 HB3 ALA A 2 0.205 -2.428 -4.927 1.00 3.52 H new ATOM 18 N MET A 3 -2.637 -3.077 -6.946 1.00 52.12 N ATOM 19 CA MET A 3 -2.745 -3.347 -8.378 1.00 70.43 C ATOM 20 C MET A 3 -1.537 -2.733 -9.075 1.00 4.50 C ATOM 21 O MET A 3 -1.052 -1.680 -8.670 1.00 3.44 O ATOM 22 CB MET A 3 -4.021 -2.726 -8.949 1.00 54.35 C ATOM 23 CG MET A 3 -5.300 -3.305 -8.364 1.00 12.44 C ATOM 24 SD MET A 3 -6.754 -2.532 -9.101 1.00 24.21 S ATOM 25 CE MET A 3 -8.081 -3.288 -8.143 1.00 43.23 C ATOM 0 H MET A 3 -3.222 -2.310 -6.615 1.00 52.12 H new ATOM 0 HA MET A 3 -2.780 -4.424 -8.540 1.00 70.43 H new ATOM 0 HB2 MET A 3 -4.004 -1.651 -8.768 1.00 54.35 H new ATOM 0 HB3 MET A 3 -4.030 -2.867 -10.030 1.00 54.35 H new ATOM 0 HG2 MET A 3 -5.329 -4.381 -8.536 1.00 12.44 H new ATOM 0 HG3 MET A 3 -5.311 -3.155 -7.284 1.00 12.44 H new ATOM 0 HE1 MET A 3 -9.042 -2.905 -8.487 1.00 43.23 H new ATOM 0 HE2 MET A 3 -8.053 -4.370 -8.274 1.00 43.23 H new ATOM 0 HE3 MET A 3 -7.951 -3.047 -7.088 1.00 43.23 H new ATOM 35 N ALA A 4 -1.064 -3.380 -10.128 1.00 62.43 N ATOM 36 CA ALA A 4 0.051 -2.855 -10.903 1.00 24.31 C ATOM 37 C ALA A 4 -0.451 -1.720 -11.802 1.00 70.02 C ATOM 38 O ALA A 4 -1.622 -1.697 -12.190 1.00 61.01 O ATOM 39 CB ALA A 4 0.670 -3.976 -11.751 1.00 34.42 C ATOM 0 H ALA A 4 -1.434 -4.269 -10.466 1.00 62.43 H new ATOM 0 HA ALA A 4 0.816 -2.467 -10.231 1.00 24.31 H new ATOM 0 HB1 ALA A 4 1.504 -3.577 -12.329 1.00 34.42 H new ATOM 0 HB2 ALA A 4 1.029 -4.771 -11.097 1.00 34.42 H new ATOM 0 HB3 ALA A 4 -0.083 -4.377 -12.430 1.00 34.42 H new ATOM 45 N LYS A 5 0.448 -0.818 -12.177 1.00 63.41 N ATOM 46 CA LYS A 5 0.124 0.232 -13.145 1.00 13.12 C ATOM 47 C LYS A 5 -0.175 -0.474 -14.460 1.00 44.03 C ATOM 48 O LYS A 5 0.630 -1.267 -14.936 1.00 2.01 O ATOM 49 CB LYS A 5 1.311 1.200 -13.296 1.00 61.23 C ATOM 50 CG LYS A 5 1.219 2.216 -14.458 1.00 64.32 C ATOM 51 CD LYS A 5 0.068 3.215 -14.312 1.00 54.31 C ATOM 52 CE LYS A 5 0.141 4.309 -15.402 1.00 34.24 C ATOM 53 NZ LYS A 5 0.036 3.760 -16.814 1.00 13.51 N ATOM 0 H LYS A 5 1.406 -0.789 -11.828 1.00 63.41 H new ATOM 0 HA LYS A 5 -0.731 0.825 -12.822 1.00 13.12 H new ATOM 0 HB2 LYS A 5 1.422 1.754 -12.364 1.00 61.23 H new ATOM 0 HB3 LYS A 5 2.219 0.611 -13.427 1.00 61.23 H new ATOM 0 HG2 LYS A 5 2.158 2.765 -14.524 1.00 64.32 H new ATOM 0 HG3 LYS A 5 1.100 1.673 -15.395 1.00 64.32 H new ATOM 0 HD2 LYS A 5 -0.885 2.690 -14.382 1.00 54.31 H new ATOM 0 HD3 LYS A 5 0.106 3.677 -13.325 1.00 54.31 H new ATOM 0 HE2 LYS A 5 -0.662 5.028 -15.239 1.00 34.24 H new ATOM 0 HE3 LYS A 5 1.081 4.851 -15.300 1.00 34.24 H new ATOM 0 HZ1 LYS A 5 0.935 3.914 -17.314 1.00 13.51 H new ATOM 0 HZ2 LYS A 5 -0.169 2.741 -16.776 1.00 13.51 H new ATOM 0 HZ3 LYS A 5 -0.730 4.249 -17.320 1.00 13.51 H new ATOM 67 N ALA A 6 -1.343 -0.208 -15.023 1.00 43.34 N ATOM 68 CA ALA A 6 -1.739 -0.843 -16.272 1.00 3.43 C ATOM 69 C ALA A 6 -0.795 -0.389 -17.399 1.00 41.01 C ATOM 70 O ALA A 6 -0.377 0.782 -17.421 1.00 45.54 O ATOM 71 CB ALA A 6 -3.197 -0.476 -16.606 1.00 44.52 C ATOM 0 H ALA A 6 -2.031 0.440 -14.638 1.00 43.34 H new ATOM 0 HA ALA A 6 -1.671 -1.926 -16.170 1.00 3.43 H new ATOM 0 HB1 ALA A 6 -3.487 -0.954 -17.542 1.00 44.52 H new ATOM 0 HB2 ALA A 6 -3.851 -0.819 -15.805 1.00 44.52 H new ATOM 0 HB3 ALA A 6 -3.286 0.606 -16.708 1.00 44.52 H new ATOM 77 N PRO A 7 -0.471 -1.292 -18.347 1.00 11.12 N ATOM 78 CA PRO A 7 0.368 -0.901 -19.484 1.00 61.12 C ATOM 79 C PRO A 7 -0.426 -0.082 -20.495 1.00 23.25 C ATOM 80 O PRO A 7 -1.624 0.147 -20.312 1.00 70.24 O ATOM 81 CB PRO A 7 0.781 -2.252 -20.074 1.00 54.01 C ATOM 82 CG PRO A 7 -0.391 -3.109 -19.829 1.00 23.52 C ATOM 83 CD PRO A 7 -0.870 -2.711 -18.451 1.00 22.51 C ATOM 0 HA PRO A 7 1.213 -0.273 -19.204 1.00 61.12 H new ATOM 0 HB2 PRO A 7 1.005 -2.173 -21.138 1.00 54.01 H new ATOM 0 HB3 PRO A 7 1.674 -2.645 -19.588 1.00 54.01 H new ATOM 0 HG2 PRO A 7 -1.164 -2.948 -20.580 1.00 23.52 H new ATOM 0 HG3 PRO A 7 -0.125 -4.165 -19.867 1.00 23.52 H new ATOM 0 HD2 PRO A 7 -1.948 -2.834 -18.349 1.00 22.51 H new ATOM 0 HD3 PRO A 7 -0.405 -3.317 -17.673 1.00 22.51 H new ATOM 91 N GLU A 8 0.241 0.336 -21.559 1.00 65.11 N ATOM 92 CA GLU A 8 -0.400 1.091 -22.630 1.00 72.13 C ATOM 93 C GLU A 8 -1.505 0.244 -23.266 1.00 35.11 C ATOM 94 O GLU A 8 -1.276 -0.891 -23.694 1.00 43.51 O ATOM 95 CB GLU A 8 0.645 1.469 -23.684 1.00 12.32 C ATOM 96 CG GLU A 8 0.123 2.389 -24.777 1.00 10.23 C ATOM 97 CD GLU A 8 1.120 2.561 -25.911 1.00 0.43 C ATOM 98 OE1 GLU A 8 2.274 2.959 -25.646 1.00 41.54 O ATOM 99 OE2 GLU A 8 0.750 2.282 -27.074 1.00 73.43 O ATOM 0 H GLU A 8 1.236 0.164 -21.707 1.00 65.11 H new ATOM 0 HA GLU A 8 -0.841 2.000 -22.222 1.00 72.13 H new ATOM 0 HB2 GLU A 8 1.486 1.953 -23.188 1.00 12.32 H new ATOM 0 HB3 GLU A 8 1.027 0.558 -24.144 1.00 12.32 H new ATOM 0 HG2 GLU A 8 -0.809 1.986 -25.174 1.00 10.23 H new ATOM 0 HG3 GLU A 8 -0.108 3.364 -24.348 1.00 10.23 H new ATOM 106 N SER A 9 -2.712 0.784 -23.296 1.00 14.00 N ATOM 107 CA SER A 9 -3.848 0.094 -23.889 1.00 33.45 C ATOM 108 C SER A 9 -3.806 0.268 -25.401 1.00 62.43 C ATOM 109 O SER A 9 -3.280 1.257 -25.896 1.00 34.42 O ATOM 110 CB SER A 9 -5.153 0.681 -23.352 1.00 53.40 C ATOM 111 OG SER A 9 -5.076 0.875 -21.950 1.00 72.21 O ATOM 0 H SER A 9 -2.932 1.704 -22.914 1.00 14.00 H new ATOM 0 HA SER A 9 -3.798 -0.965 -23.634 1.00 33.45 H new ATOM 0 HB2 SER A 9 -5.360 1.631 -23.845 1.00 53.40 H new ATOM 0 HB3 SER A 9 -5.982 0.013 -23.587 1.00 53.40 H new ATOM 0 HG SER A 9 -4.514 1.654 -21.758 1.00 72.21 H new ATOM 117 N ALA A 10 -4.436 -0.642 -26.133 1.00 64.11 N ATOM 118 CA ALA A 10 -4.501 -0.538 -27.596 1.00 5.33 C ATOM 119 C ALA A 10 -5.165 0.779 -28.034 1.00 63.11 C ATOM 120 O ALA A 10 -4.887 1.299 -29.106 1.00 63.43 O ATOM 121 CB ALA A 10 -5.269 -1.737 -28.168 1.00 61.12 C ATOM 0 H ALA A 10 -4.909 -1.459 -25.746 1.00 64.11 H new ATOM 0 HA ALA A 10 -3.483 -0.542 -27.985 1.00 5.33 H new ATOM 0 HB1 ALA A 10 -5.315 -1.655 -29.254 1.00 61.12 H new ATOM 0 HB2 ALA A 10 -4.758 -2.660 -27.895 1.00 61.12 H new ATOM 0 HB3 ALA A 10 -6.281 -1.748 -27.762 1.00 61.12 H new ATOM 127 N THR A 11 -6.024 1.319 -27.185 1.00 2.54 N ATOM 128 CA THR A 11 -6.685 2.590 -27.452 1.00 24.22 C ATOM 129 C THR A 11 -5.732 3.771 -27.427 1.00 62.22 C ATOM 130 O THR A 11 -5.902 4.726 -28.170 1.00 14.44 O ATOM 131 CB THR A 11 -7.720 2.861 -26.347 1.00 51.45 C ATOM 132 OG1 THR A 11 -7.812 1.701 -25.514 1.00 32.22 O ATOM 133 CG2 THR A 11 -9.087 3.148 -26.921 1.00 24.44 C ATOM 0 H THR A 11 -6.283 0.893 -26.295 1.00 2.54 H new ATOM 0 HA THR A 11 -7.127 2.501 -28.445 1.00 24.22 H new ATOM 0 HB THR A 11 -7.395 3.734 -25.781 1.00 51.45 H new ATOM 0 HG1 THR A 11 -8.468 1.860 -24.803 1.00 32.22 H new ATOM 0 HG21 THR A 11 -9.791 3.334 -26.110 1.00 24.44 H new ATOM 0 HG22 THR A 11 -9.034 4.026 -27.564 1.00 24.44 H new ATOM 0 HG23 THR A 11 -9.424 2.291 -27.504 1.00 24.44 H new ATOM 141 N GLU A 12 -4.761 3.730 -26.532 1.00 4.21 N ATOM 142 CA GLU A 12 -3.892 4.875 -26.280 1.00 50.22 C ATOM 143 C GLU A 12 -3.073 5.226 -27.506 1.00 11.31 C ATOM 144 O GLU A 12 -2.965 6.392 -27.862 1.00 5.21 O ATOM 145 CB GLU A 12 -2.999 4.584 -25.070 1.00 22.12 C ATOM 146 CG GLU A 12 -3.831 4.399 -23.798 1.00 1.24 C ATOM 147 CD GLU A 12 -3.031 3.952 -22.587 1.00 21.02 C ATOM 148 OE1 GLU A 12 -1.894 4.399 -22.395 1.00 54.31 O ATOM 149 OE2 GLU A 12 -3.565 3.110 -21.821 1.00 5.21 O ATOM 0 H GLU A 12 -4.550 2.911 -25.962 1.00 4.21 H new ATOM 0 HA GLU A 12 -4.510 5.745 -26.056 1.00 50.22 H new ATOM 0 HB2 GLU A 12 -2.411 3.685 -25.257 1.00 22.12 H new ATOM 0 HB3 GLU A 12 -2.294 5.403 -24.930 1.00 22.12 H new ATOM 0 HG2 GLU A 12 -4.328 5.340 -23.563 1.00 1.24 H new ATOM 0 HG3 GLU A 12 -4.613 3.665 -23.993 1.00 1.24 H new ATOM 156 N LYS A 13 -2.563 4.222 -28.200 1.00 43.33 N ATOM 157 CA LYS A 13 -1.779 4.479 -29.419 1.00 62.43 C ATOM 158 C LYS A 13 -2.639 5.039 -30.547 1.00 55.40 C ATOM 159 O LYS A 13 -2.150 5.802 -31.374 1.00 41.15 O ATOM 160 CB LYS A 13 -1.054 3.214 -29.896 1.00 12.01 C ATOM 161 CG LYS A 13 -1.946 1.987 -30.061 1.00 21.44 C ATOM 162 CD LYS A 13 -1.185 0.777 -30.610 1.00 44.55 C ATOM 163 CE LYS A 13 -0.748 0.966 -32.073 1.00 21.23 C ATOM 164 NZ LYS A 13 -1.918 1.209 -32.998 1.00 70.24 N ATOM 0 H LYS A 13 -2.669 3.237 -27.956 1.00 43.33 H new ATOM 0 HA LYS A 13 -1.036 5.231 -29.154 1.00 62.43 H new ATOM 0 HB2 LYS A 13 -0.573 3.427 -30.851 1.00 12.01 H new ATOM 0 HB3 LYS A 13 -0.262 2.977 -29.186 1.00 12.01 H new ATOM 0 HG2 LYS A 13 -2.385 1.729 -29.097 1.00 21.44 H new ATOM 0 HG3 LYS A 13 -2.770 2.229 -30.732 1.00 21.44 H new ATOM 0 HD2 LYS A 13 -0.305 0.595 -29.993 1.00 44.55 H new ATOM 0 HD3 LYS A 13 -1.816 -0.109 -30.535 1.00 44.55 H new ATOM 0 HE2 LYS A 13 -0.057 1.807 -32.137 1.00 21.23 H new ATOM 0 HE3 LYS A 13 -0.205 0.081 -32.404 1.00 21.23 H new ATOM 0 HZ1 LYS A 13 -1.606 1.111 -33.985 1.00 70.24 H new ATOM 0 HZ2 LYS A 13 -2.667 0.514 -32.801 1.00 70.24 H new ATOM 0 HZ3 LYS A 13 -2.288 2.169 -32.845 1.00 70.24 H new ATOM 178 N VAL A 14 -3.911 4.663 -30.593 1.00 24.25 N ATOM 179 CA VAL A 14 -4.805 5.164 -31.634 1.00 72.03 C ATOM 180 C VAL A 14 -5.050 6.631 -31.352 1.00 45.12 C ATOM 181 O VAL A 14 -4.939 7.465 -32.233 1.00 35.53 O ATOM 182 CB VAL A 14 -6.157 4.383 -31.672 1.00 14.12 C ATOM 183 CG1 VAL A 14 -7.115 4.989 -32.710 1.00 72.14 C ATOM 184 CG2 VAL A 14 -5.918 2.907 -32.003 1.00 3.31 C ATOM 0 H VAL A 14 -4.345 4.020 -29.930 1.00 24.25 H new ATOM 0 HA VAL A 14 -4.341 5.023 -32.610 1.00 72.03 H new ATOM 0 HB VAL A 14 -6.611 4.462 -30.684 1.00 14.12 H new ATOM 0 HG11 VAL A 14 -8.048 4.426 -32.716 1.00 72.14 H new ATOM 0 HG12 VAL A 14 -7.319 6.028 -32.453 1.00 72.14 H new ATOM 0 HG13 VAL A 14 -6.657 4.943 -33.698 1.00 72.14 H new ATOM 0 HG21 VAL A 14 -6.872 2.380 -32.025 1.00 3.31 H new ATOM 0 HG22 VAL A 14 -5.436 2.826 -32.977 1.00 3.31 H new ATOM 0 HG23 VAL A 14 -5.275 2.463 -31.243 1.00 3.31 H new ATOM 194 N LEU A 15 -5.334 6.951 -30.101 1.00 14.11 N ATOM 195 CA LEU A 15 -5.601 8.331 -29.709 1.00 35.34 C ATOM 196 C LEU A 15 -4.380 9.212 -29.918 1.00 70.23 C ATOM 197 O LEU A 15 -4.506 10.333 -30.389 1.00 24.14 O ATOM 198 CB LEU A 15 -6.022 8.378 -28.248 1.00 22.23 C ATOM 199 CG LEU A 15 -7.366 7.705 -27.959 1.00 60.11 C ATOM 200 CD1 LEU A 15 -7.343 7.247 -26.528 1.00 33.41 C ATOM 201 CD2 LEU A 15 -8.541 8.652 -28.209 1.00 35.31 C ATOM 0 H LEU A 15 -5.386 6.277 -29.337 1.00 14.11 H new ATOM 0 HA LEU A 15 -6.406 8.711 -30.338 1.00 35.34 H new ATOM 0 HB2 LEU A 15 -5.251 7.899 -27.644 1.00 22.23 H new ATOM 0 HB3 LEU A 15 -6.074 9.419 -27.930 1.00 22.23 H new ATOM 0 HG LEU A 15 -7.506 6.859 -28.632 1.00 60.11 H new ATOM 0 HD11 LEU A 15 -8.288 6.761 -26.286 1.00 33.41 H new ATOM 0 HD12 LEU A 15 -6.525 6.541 -26.385 1.00 33.41 H new ATOM 0 HD13 LEU A 15 -7.199 8.106 -25.873 1.00 33.41 H new ATOM 0 HD21 LEU A 15 -9.476 8.136 -27.992 1.00 35.31 H new ATOM 0 HD22 LEU A 15 -8.449 9.524 -27.562 1.00 35.31 H new ATOM 0 HD23 LEU A 15 -8.536 8.971 -29.251 1.00 35.31 H new ATOM 213 N CYS A 16 -3.200 8.687 -29.630 1.00 60.24 N ATOM 214 CA CYS A 16 -1.962 9.408 -29.902 1.00 53.21 C ATOM 215 C CYS A 16 -1.867 9.767 -31.387 1.00 63.00 C ATOM 216 O CYS A 16 -1.590 10.901 -31.741 1.00 64.14 O ATOM 217 CB CYS A 16 -0.754 8.552 -29.527 1.00 61.50 C ATOM 218 SG CYS A 16 -0.523 8.291 -27.756 1.00 4.32 S ATOM 0 H CYS A 16 -3.071 7.767 -29.209 1.00 60.24 H new ATOM 0 HA CYS A 16 -1.966 10.319 -29.304 1.00 53.21 H new ATOM 0 HB2 CYS A 16 -0.851 7.581 -30.012 1.00 61.50 H new ATOM 0 HB3 CYS A 16 0.144 9.021 -29.930 1.00 61.50 H new ATOM 0 HG CYS A 16 -1.429 7.469 -27.317 1.00 4.32 H new ATOM 224 N ALA A 17 -2.116 8.813 -32.268 1.00 43.34 N ATOM 225 CA ALA A 17 -2.029 9.100 -33.700 1.00 44.51 C ATOM 226 C ALA A 17 -3.138 10.066 -34.145 1.00 11.42 C ATOM 227 O ALA A 17 -2.919 10.925 -34.990 1.00 41.31 O ATOM 228 CB ALA A 17 -2.102 7.799 -34.500 1.00 70.42 C ATOM 0 H ALA A 17 -2.374 7.855 -32.032 1.00 43.34 H new ATOM 0 HA ALA A 17 -1.071 9.583 -33.892 1.00 44.51 H new ATOM 0 HB1 ALA A 17 -2.036 8.022 -35.565 1.00 70.42 H new ATOM 0 HB2 ALA A 17 -1.275 7.149 -34.214 1.00 70.42 H new ATOM 0 HB3 ALA A 17 -3.047 7.297 -34.292 1.00 70.42 H new ATOM 234 N LEU A 18 -4.315 9.948 -33.546 1.00 73.53 N ATOM 235 CA LEU A 18 -5.433 10.830 -33.883 1.00 74.01 C ATOM 236 C LEU A 18 -5.133 12.267 -33.486 1.00 70.22 C ATOM 237 O LEU A 18 -5.556 13.199 -34.162 1.00 54.24 O ATOM 238 CB LEU A 18 -6.722 10.379 -33.196 1.00 12.21 C ATOM 239 CG LEU A 18 -7.409 9.142 -33.783 1.00 74.11 C ATOM 240 CD1 LEU A 18 -8.732 8.936 -33.051 1.00 54.14 C ATOM 241 CD2 LEU A 18 -7.636 9.321 -35.283 1.00 63.25 C ATOM 0 H LEU A 18 -4.524 9.255 -32.827 1.00 73.53 H new ATOM 0 HA LEU A 18 -5.569 10.776 -34.963 1.00 74.01 H new ATOM 0 HB2 LEU A 18 -6.499 10.181 -32.148 1.00 12.21 H new ATOM 0 HB3 LEU A 18 -7.430 11.207 -33.221 1.00 12.21 H new ATOM 0 HG LEU A 18 -6.778 8.263 -33.651 1.00 74.11 H new ATOM 0 HD11 LEU A 18 -9.238 8.059 -33.454 1.00 54.14 H new ATOM 0 HD12 LEU A 18 -8.541 8.788 -31.988 1.00 54.14 H new ATOM 0 HD13 LEU A 18 -9.364 9.814 -33.187 1.00 54.14 H new ATOM 0 HD21 LEU A 18 -8.125 8.434 -35.685 1.00 63.25 H new ATOM 0 HD22 LEU A 18 -8.268 10.193 -35.454 1.00 63.25 H new ATOM 0 HD23 LEU A 18 -6.677 9.465 -35.781 1.00 63.25 H new ATOM 253 N TYR A 19 -4.385 12.446 -32.406 1.00 73.33 N ATOM 254 CA TYR A 19 -3.977 13.765 -31.994 1.00 21.31 C ATOM 255 C TYR A 19 -3.086 14.330 -33.116 1.00 12.34 C ATOM 256 O TYR A 19 -3.319 15.430 -33.581 1.00 31.01 O ATOM 257 CB TYR A 19 -3.167 13.721 -30.696 1.00 63.25 C ATOM 258 CG TYR A 19 -3.945 13.724 -29.377 1.00 74.13 C ATOM 259 CD1 TYR A 19 -5.186 13.079 -29.238 1.00 71.30 C ATOM 260 CD2 TYR A 19 -3.368 14.316 -28.232 1.00 31.11 C ATOM 261 CE1 TYR A 19 -5.853 13.052 -27.986 1.00 21.30 C ATOM 262 CE2 TYR A 19 -4.033 14.296 -26.973 1.00 33.21 C ATOM 263 CZ TYR A 19 -5.278 13.677 -26.873 1.00 64.13 C ATOM 264 OH TYR A 19 -5.923 13.656 -25.657 1.00 54.41 O ATOM 0 H TYR A 19 -4.053 11.691 -31.806 1.00 73.33 H new ATOM 0 HA TYR A 19 -4.858 14.382 -31.816 1.00 21.31 H new ATOM 0 HB2 TYR A 19 -2.545 12.826 -30.718 1.00 63.25 H new ATOM 0 HB3 TYR A 19 -2.493 14.578 -30.691 1.00 63.25 H new ATOM 0 HD1 TYR A 19 -5.637 12.599 -30.094 1.00 71.30 H new ATOM 0 HD2 TYR A 19 -2.403 14.794 -28.313 1.00 31.11 H new ATOM 0 HE1 TYR A 19 -6.804 12.549 -27.892 1.00 21.30 H new ATOM 0 HE2 TYR A 19 -3.579 14.754 -26.107 1.00 33.21 H new ATOM 0 HH TYR A 19 -5.385 14.135 -24.993 1.00 54.41 H new ATOM 274 N ALA A 20 -2.098 13.560 -33.568 1.00 73.50 N ATOM 275 CA ALA A 20 -1.156 14.026 -34.601 1.00 13.42 C ATOM 276 C ALA A 20 -1.878 14.473 -35.876 1.00 45.00 C ATOM 277 O ALA A 20 -1.611 15.542 -36.421 1.00 4.41 O ATOM 278 CB ALA A 20 -0.152 12.910 -34.942 1.00 33.31 C ATOM 0 H ALA A 20 -1.924 12.610 -33.240 1.00 73.50 H new ATOM 0 HA ALA A 20 -0.628 14.889 -34.195 1.00 13.42 H new ATOM 0 HB1 ALA A 20 0.540 13.264 -35.706 1.00 33.31 H new ATOM 0 HB2 ALA A 20 0.406 12.636 -34.046 1.00 33.31 H new ATOM 0 HB3 ALA A 20 -0.690 12.038 -35.315 1.00 33.31 H new ATOM 284 N GLU A 21 -2.795 13.637 -36.331 1.00 51.03 N ATOM 285 CA GLU A 21 -3.545 13.877 -37.567 1.00 3.14 C ATOM 286 C GLU A 21 -4.367 15.161 -37.540 1.00 42.20 C ATOM 287 O GLU A 21 -4.603 15.793 -38.571 1.00 13.40 O ATOM 288 CB GLU A 21 -4.515 12.713 -37.767 1.00 2.34 C ATOM 289 CG GLU A 21 -3.882 11.447 -38.300 1.00 41.12 C ATOM 290 CD GLU A 21 -3.607 11.547 -39.789 1.00 31.43 C ATOM 291 OE1 GLU A 21 -4.573 11.822 -40.544 1.00 34.54 O ATOM 292 OE2 GLU A 21 -2.454 11.355 -40.209 1.00 73.32 O ATOM 0 H GLU A 21 -3.046 12.769 -35.858 1.00 51.03 H new ATOM 0 HA GLU A 21 -2.816 13.969 -38.372 1.00 3.14 H new ATOM 0 HB2 GLU A 21 -4.995 12.490 -36.814 1.00 2.34 H new ATOM 0 HB3 GLU A 21 -5.301 13.027 -38.454 1.00 2.34 H new ATOM 0 HG2 GLU A 21 -2.950 11.254 -37.769 1.00 41.12 H new ATOM 0 HG3 GLU A 21 -4.541 10.600 -38.107 1.00 41.12 H new ATOM 299 N ILE A 22 -4.887 15.487 -36.371 1.00 32.31 N ATOM 300 CA ILE A 22 -5.802 16.613 -36.215 1.00 60.04 C ATOM 301 C ILE A 22 -5.082 17.914 -35.847 1.00 30.13 C ATOM 302 O ILE A 22 -5.479 19.001 -36.282 1.00 44.14 O ATOM 303 CB ILE A 22 -6.871 16.223 -35.182 1.00 55.23 C ATOM 304 CG1 ILE A 22 -7.756 15.143 -35.828 1.00 11.11 C ATOM 305 CG2 ILE A 22 -7.713 17.427 -34.732 1.00 33.21 C ATOM 306 CD1 ILE A 22 -8.736 14.557 -34.921 1.00 12.51 C ATOM 0 H ILE A 22 -4.691 14.985 -35.505 1.00 32.31 H new ATOM 0 HA ILE A 22 -6.279 16.822 -37.172 1.00 60.04 H new ATOM 0 HB ILE A 22 -6.389 15.845 -34.281 1.00 55.23 H new ATOM 0 HG12 ILE A 22 -8.279 15.578 -36.679 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -7.117 14.350 -36.218 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -8.454 17.100 -34.002 1.00 33.21 H new ATOM 0 HG22 ILE A 22 -7.064 18.176 -34.279 1.00 33.21 H new ATOM 0 HG23 ILE A 22 -8.219 17.860 -35.595 1.00 33.21 H new ATOM 0 HD11 ILE A 22 -9.320 13.805 -35.452 1.00 12.51 H new ATOM 0 HD12 ILE A 22 -8.221 14.090 -34.081 1.00 12.51 H new ATOM 0 HD13 ILE A 22 -9.401 15.337 -34.550 1.00 12.51 H new ATOM 318 N LEU A 23 -4.061 17.795 -35.013 1.00 34.31 N ATOM 319 CA LEU A 23 -3.314 18.940 -34.490 1.00 51.52 C ATOM 320 C LEU A 23 -2.196 19.369 -35.445 1.00 35.05 C ATOM 321 O LEU A 23 -1.767 20.513 -35.418 1.00 71.33 O ATOM 322 CB LEU A 23 -2.722 18.588 -33.139 1.00 52.32 C ATOM 323 CG LEU A 23 -3.762 18.219 -32.069 1.00 61.52 C ATOM 324 CD1 LEU A 23 -3.140 17.438 -30.953 1.00 20.14 C ATOM 325 CD2 LEU A 23 -4.418 19.442 -31.481 1.00 12.34 C ATOM 0 H LEU A 23 -3.720 16.895 -34.674 1.00 34.31 H new ATOM 0 HA LEU A 23 -4.007 19.775 -34.388 1.00 51.52 H new ATOM 0 HB2 LEU A 23 -2.034 17.752 -33.264 1.00 52.32 H new ATOM 0 HB3 LEU A 23 -2.134 19.434 -32.781 1.00 52.32 H new ATOM 0 HG LEU A 23 -4.514 17.612 -32.572 1.00 61.52 H new ATOM 0 HD11 LEU A 23 -3.901 17.192 -30.213 1.00 20.14 H new ATOM 0 HD12 LEU A 23 -2.709 16.519 -31.349 1.00 20.14 H new ATOM 0 HD13 LEU A 23 -2.357 18.034 -30.484 1.00 20.14 H new ATOM 0 HD21 LEU A 23 -5.146 19.138 -30.729 1.00 12.34 H new ATOM 0 HD22 LEU A 23 -3.660 20.074 -31.018 1.00 12.34 H new ATOM 0 HD23 LEU A 23 -4.922 19.999 -32.270 1.00 12.34 H new ATOM 337 N GLY A 24 -1.721 18.443 -36.269 1.00 51.51 N ATOM 338 CA GLY A 24 -0.643 18.756 -37.195 1.00 63.51 C ATOM 339 C GLY A 24 0.726 18.732 -36.539 1.00 63.25 C ATOM 340 O GLY A 24 1.606 19.499 -36.910 1.00 33.55 O ATOM 0 H GLY A 24 -2.060 17.482 -36.315 1.00 51.51 H new ATOM 0 HA2 GLY A 24 -0.659 18.041 -38.018 1.00 63.51 H new ATOM 0 HA3 GLY A 24 -0.816 19.742 -37.626 1.00 63.51 H new ATOM 344 N VAL A 25 0.905 17.846 -35.568 1.00 12.04 N ATOM 345 CA VAL A 25 2.174 17.735 -34.837 1.00 42.20 C ATOM 346 C VAL A 25 2.908 16.445 -35.247 1.00 52.05 C ATOM 347 O VAL A 25 2.286 15.449 -35.596 1.00 73.15 O ATOM 348 CB VAL A 25 1.951 17.788 -33.293 1.00 32.55 C ATOM 349 CG1 VAL A 25 1.381 19.157 -32.886 1.00 13.45 C ATOM 350 CG2 VAL A 25 0.995 16.675 -32.818 1.00 51.44 C ATOM 0 H VAL A 25 0.188 17.188 -35.263 1.00 12.04 H new ATOM 0 HA VAL A 25 2.796 18.590 -35.101 1.00 42.20 H new ATOM 0 HB VAL A 25 2.920 17.634 -32.817 1.00 32.55 H new ATOM 0 HG11 VAL A 25 1.230 19.182 -31.807 1.00 13.45 H new ATOM 0 HG12 VAL A 25 2.081 19.942 -33.173 1.00 13.45 H new ATOM 0 HG13 VAL A 25 0.428 19.319 -33.390 1.00 13.45 H new ATOM 0 HG21 VAL A 25 0.864 16.744 -31.738 1.00 51.44 H new ATOM 0 HG22 VAL A 25 0.029 16.791 -33.309 1.00 51.44 H new ATOM 0 HG23 VAL A 25 1.415 15.702 -33.071 1.00 51.44 H new ATOM 360 N GLU A 26 4.234 16.495 -35.236 1.00 33.14 N ATOM 361 CA GLU A 26 5.085 15.376 -35.685 1.00 32.24 C ATOM 362 C GLU A 26 5.116 14.201 -34.749 1.00 21.43 C ATOM 363 O GLU A 26 5.363 13.051 -35.147 1.00 52.13 O ATOM 364 CB GLU A 26 6.522 15.869 -35.857 1.00 75.14 C ATOM 365 CG GLU A 26 6.694 17.030 -36.855 1.00 65.41 C ATOM 366 CD GLU A 26 8.149 17.346 -37.087 1.00 74.13 C ATOM 367 OE1 GLU A 26 8.883 16.488 -37.623 1.00 61.40 O ATOM 368 OE2 GLU A 26 8.561 18.479 -36.762 1.00 2.05 O ATOM 0 H GLU A 26 4.760 17.309 -34.917 1.00 33.14 H new ATOM 0 HA GLU A 26 4.644 15.033 -36.621 1.00 32.24 H new ATOM 0 HB2 GLU A 26 6.901 16.185 -34.885 1.00 75.14 H new ATOM 0 HB3 GLU A 26 7.141 15.033 -36.184 1.00 75.14 H new ATOM 0 HG2 GLU A 26 6.221 16.770 -37.802 1.00 65.41 H new ATOM 0 HG3 GLU A 26 6.184 17.916 -36.476 1.00 65.41 H new ATOM 375 N ARG A 27 4.878 14.468 -33.453 1.00 4.31 N ATOM 376 CA ARG A 27 4.925 13.435 -32.454 1.00 51.40 C ATOM 377 C ARG A 27 3.865 13.687 -31.404 1.00 31.44 C ATOM 378 O ARG A 27 3.485 14.834 -31.182 1.00 14.42 O ATOM 379 CB ARG A 27 6.289 13.424 -31.750 1.00 5.10 C ATOM 380 CG ARG A 27 6.798 12.063 -31.284 1.00 13.54 C ATOM 381 CD ARG A 27 7.259 11.220 -32.491 1.00 70.21 C ATOM 382 NE ARG A 27 7.746 9.903 -32.056 1.00 72.32 N ATOM 383 CZ ARG A 27 6.977 8.844 -31.802 1.00 41.45 C ATOM 384 NH1 ARG A 27 5.671 8.875 -31.939 1.00 40.23 N ATOM 385 NH2 ARG A 27 7.528 7.734 -31.393 1.00 43.31 N ATOM 0 H ARG A 27 4.653 15.395 -33.093 1.00 4.31 H new ATOM 0 HA ARG A 27 4.756 12.480 -32.952 1.00 51.40 H new ATOM 0 HB2 ARG A 27 7.028 13.852 -32.428 1.00 5.10 H new ATOM 0 HB3 ARG A 27 6.232 14.083 -30.884 1.00 5.10 H new ATOM 0 HG2 ARG A 27 7.626 12.196 -30.588 1.00 13.54 H new ATOM 0 HG3 ARG A 27 6.010 11.538 -30.745 1.00 13.54 H new ATOM 0 HD2 ARG A 27 6.431 11.094 -33.189 1.00 70.21 H new ATOM 0 HD3 ARG A 27 8.050 11.746 -33.026 1.00 70.21 H new ATOM 0 HE ARG A 27 8.753 9.790 -31.939 1.00 72.32 H new ATOM 0 HH11 ARG A 27 5.211 9.731 -32.250 1.00 40.23 H new ATOM 0 HH12 ARG A 27 5.117 8.043 -31.735 1.00 40.23 H new ATOM 0 HH21 ARG A 27 8.539 7.682 -31.270 1.00 43.31 H new ATOM 0 HH22 ARG A 27 6.947 6.919 -31.196 1.00 43.31 H new ATOM 399 N VAL A 28 3.514 12.662 -30.717 1.00 13.41 N ATOM 400 CA VAL A 28 2.589 12.731 -29.607 1.00 74.33 C ATOM 401 C VAL A 28 3.013 11.635 -28.595 1.00 12.25 C ATOM 402 O VAL A 28 3.341 10.504 -28.942 1.00 63.15 O ATOM 403 CB VAL A 28 1.130 12.341 -30.064 1.00 64.12 C ATOM 404 CG1 VAL A 28 0.117 12.733 -28.953 1.00 12.20 C ATOM 405 CG2 VAL A 28 0.740 13.148 -31.327 1.00 15.14 C ATOM 0 H VAL A 28 3.861 11.721 -30.902 1.00 13.41 H new ATOM 0 HA VAL A 28 2.601 13.742 -29.199 1.00 74.33 H new ATOM 0 HB VAL A 28 1.108 11.269 -30.263 1.00 64.12 H new ATOM 0 HG11 VAL A 28 -0.891 12.464 -29.268 1.00 12.20 H new ATOM 0 HG12 VAL A 28 0.363 12.203 -28.033 1.00 12.20 H new ATOM 0 HG13 VAL A 28 0.167 13.808 -28.777 1.00 12.20 H new ATOM 0 HG21 VAL A 28 -0.268 12.874 -31.637 1.00 15.14 H new ATOM 0 HG22 VAL A 28 0.773 14.214 -31.102 1.00 15.14 H new ATOM 0 HG23 VAL A 28 1.440 12.925 -32.132 1.00 15.14 H new ATOM 415 N GLY A 29 3.064 12.023 -27.311 1.00 60.20 N ATOM 416 CA GLY A 29 3.350 11.121 -26.216 1.00 32.50 C ATOM 417 C GLY A 29 2.057 10.573 -25.613 1.00 74.32 C ATOM 418 O GLY A 29 0.963 10.972 -26.025 1.00 3.10 O ATOM 0 H GLY A 29 2.904 12.986 -27.015 1.00 60.20 H new ATOM 0 HA2 GLY A 29 3.969 10.297 -26.570 1.00 32.50 H new ATOM 0 HA3 GLY A 29 3.922 11.643 -25.449 1.00 32.50 H new ATOM 422 N VAL A 30 2.171 9.601 -24.724 1.00 52.11 N ATOM 423 CA VAL A 30 0.964 9.036 -24.095 1.00 40.20 C ATOM 424 C VAL A 30 0.392 10.049 -23.103 1.00 22.12 C ATOM 425 O VAL A 30 -0.785 10.053 -22.810 1.00 63.11 O ATOM 426 CB VAL A 30 1.284 7.693 -23.309 1.00 51.10 C ATOM 427 CG1 VAL A 30 0.893 6.462 -24.181 1.00 71.34 C ATOM 428 CG2 VAL A 30 2.753 7.623 -22.906 1.00 54.02 C ATOM 0 H VAL A 30 3.053 9.189 -24.421 1.00 52.11 H new ATOM 0 HA VAL A 30 0.249 8.814 -24.888 1.00 40.20 H new ATOM 0 HB VAL A 30 0.692 7.682 -22.394 1.00 51.10 H new ATOM 0 HG11 VAL A 30 1.115 5.545 -23.636 1.00 71.34 H new ATOM 0 HG12 VAL A 30 -0.172 6.500 -24.408 1.00 71.34 H new ATOM 0 HG13 VAL A 30 1.462 6.479 -25.110 1.00 71.34 H new ATOM 0 HG21 VAL A 30 2.939 6.692 -22.370 1.00 54.02 H new ATOM 0 HG22 VAL A 30 3.377 7.659 -23.799 1.00 54.02 H new ATOM 0 HG23 VAL A 30 2.994 8.468 -22.261 1.00 54.02 H new ATOM 438 N ASP A 31 1.244 10.913 -22.667 1.00 34.51 N ATOM 439 CA ASP A 31 0.922 11.914 -21.676 1.00 34.41 C ATOM 440 C ASP A 31 0.840 13.306 -22.275 1.00 52.22 C ATOM 441 O ASP A 31 0.882 14.289 -21.578 1.00 0.43 O ATOM 442 CB ASP A 31 1.964 11.852 -20.550 1.00 55.31 C ATOM 443 CG ASP A 31 1.882 10.591 -19.736 1.00 25.34 C ATOM 444 OD1 ASP A 31 0.810 10.285 -19.168 1.00 71.12 O ATOM 445 OD2 ASP A 31 2.908 9.878 -19.686 1.00 32.21 O ATOM 0 H ASP A 31 2.211 10.954 -22.990 1.00 34.51 H new ATOM 0 HA ASP A 31 -0.067 11.699 -21.271 1.00 34.41 H new ATOM 0 HB2 ASP A 31 2.961 11.934 -20.982 1.00 55.31 H new ATOM 0 HB3 ASP A 31 1.830 12.711 -19.892 1.00 55.31 H new ATOM 450 N ASP A 32 0.742 13.368 -23.586 1.00 12.01 N ATOM 451 CA ASP A 32 0.764 14.655 -24.262 1.00 31.01 C ATOM 452 C ASP A 32 -0.528 15.443 -24.068 1.00 30.01 C ATOM 453 O ASP A 32 -1.622 14.932 -24.279 1.00 55.52 O ATOM 454 CB ASP A 32 1.001 14.470 -25.754 1.00 53.42 C ATOM 455 CG ASP A 32 2.114 15.330 -26.259 1.00 34.25 C ATOM 456 OD1 ASP A 32 2.218 16.492 -25.809 1.00 63.25 O ATOM 457 OD2 ASP A 32 2.936 14.825 -27.030 1.00 22.02 O ATOM 0 H ASP A 32 0.648 12.559 -24.200 1.00 12.01 H new ATOM 0 HA ASP A 32 1.580 15.222 -23.813 1.00 31.01 H new ATOM 0 HB2 ASP A 32 1.231 13.424 -25.957 1.00 53.42 H new ATOM 0 HB3 ASP A 32 0.086 14.706 -26.298 1.00 53.42 H new ATOM 462 N ALA A 33 -0.405 16.678 -23.612 1.00 21.21 N ATOM 463 CA ALA A 33 -1.579 17.496 -23.334 1.00 65.34 C ATOM 464 C ALA A 33 -2.138 18.039 -24.649 1.00 42.12 C ATOM 465 O ALA A 33 -1.532 18.856 -25.306 1.00 74.14 O ATOM 466 CB ALA A 33 -1.194 18.642 -22.399 1.00 54.40 C ATOM 0 H ALA A 33 0.487 17.136 -23.427 1.00 21.21 H new ATOM 0 HA ALA A 33 -2.346 16.893 -22.847 1.00 65.34 H new ATOM 0 HB1 ALA A 33 -2.072 19.253 -22.192 1.00 54.40 H new ATOM 0 HB2 ALA A 33 -0.806 18.235 -21.465 1.00 54.40 H new ATOM 0 HB3 ALA A 33 -0.428 19.256 -22.873 1.00 54.40 H new ATOM 472 N PHE A 34 -3.352 17.622 -24.965 1.00 14.14 N ATOM 473 CA PHE A 34 -4.049 18.030 -26.204 1.00 31.13 C ATOM 474 C PHE A 34 -4.061 19.547 -26.370 1.00 55.42 C ATOM 475 O PHE A 34 -3.876 20.056 -27.468 1.00 62.50 O ATOM 476 CB PHE A 34 -5.482 17.487 -26.166 1.00 1.41 C ATOM 477 CG PHE A 34 -6.272 17.749 -27.421 1.00 3.33 C ATOM 478 CD1 PHE A 34 -6.073 16.987 -28.582 1.00 14.44 C ATOM 479 CD2 PHE A 34 -7.262 18.755 -27.426 1.00 40.55 C ATOM 480 CE1 PHE A 34 -6.841 17.234 -29.751 1.00 72.10 C ATOM 481 CE2 PHE A 34 -8.043 19.010 -28.591 1.00 24.13 C ATOM 482 CZ PHE A 34 -7.826 18.237 -29.756 1.00 34.44 C ATOM 0 H PHE A 34 -3.896 16.989 -24.378 1.00 14.14 H new ATOM 0 HA PHE A 34 -3.514 17.617 -27.059 1.00 31.13 H new ATOM 0 HB2 PHE A 34 -5.447 16.412 -25.989 1.00 1.41 H new ATOM 0 HB3 PHE A 34 -6.006 17.932 -25.320 1.00 1.41 H new ATOM 0 HD1 PHE A 34 -5.328 16.205 -28.587 1.00 14.44 H new ATOM 0 HD2 PHE A 34 -7.430 19.340 -26.534 1.00 40.55 H new ATOM 0 HE1 PHE A 34 -6.667 16.648 -30.641 1.00 72.10 H new ATOM 0 HE2 PHE A 34 -8.794 19.786 -28.584 1.00 24.13 H new ATOM 0 HZ PHE A 34 -8.414 18.416 -30.644 1.00 34.44 H new ATOM 492 N HIS A 35 -4.285 20.278 -25.277 1.00 54.05 N ATOM 493 CA HIS A 35 -4.363 21.739 -25.357 1.00 23.00 C ATOM 494 C HIS A 35 -2.998 22.418 -25.500 1.00 34.42 C ATOM 495 O HIS A 35 -2.933 23.540 -25.992 1.00 14.30 O ATOM 496 CB HIS A 35 -5.093 22.287 -24.128 1.00 73.10 C ATOM 497 CG HIS A 35 -4.458 21.901 -22.826 1.00 61.51 C ATOM 498 ND1 HIS A 35 -4.907 20.883 -22.017 1.00 45.31 N ATOM 499 CD2 HIS A 35 -3.386 22.427 -22.169 1.00 50.11 C ATOM 500 CE1 HIS A 35 -4.125 20.829 -20.946 1.00 41.31 C ATOM 501 NE2 HIS A 35 -3.182 21.747 -20.986 1.00 2.25 N ATOM 0 H HIS A 35 -4.414 19.892 -24.342 1.00 54.05 H new ATOM 0 HA HIS A 35 -4.919 21.972 -26.265 1.00 23.00 H new ATOM 0 HB2 HIS A 35 -5.132 23.374 -24.195 1.00 73.10 H new ATOM 0 HB3 HIS A 35 -6.123 21.930 -24.139 1.00 73.10 H new ATOM 0 HD2 HIS A 35 -2.786 23.253 -22.522 1.00 50.11 H new ATOM 0 HE1 HIS A 35 -4.247 20.120 -20.141 1.00 41.31 H new ATOM 0 HE2 HIS A 35 -2.456 21.919 -20.291 1.00 2.25 H new ATOM 509 N ASP A 36 -1.923 21.758 -25.084 1.00 23.32 N ATOM 510 CA ASP A 36 -0.579 22.347 -25.190 1.00 30.42 C ATOM 511 C ASP A 36 -0.137 22.226 -26.644 1.00 35.22 C ATOM 512 O ASP A 36 0.519 23.102 -27.197 1.00 53.33 O ATOM 513 CB ASP A 36 0.406 21.605 -24.288 1.00 13.42 C ATOM 514 CG ASP A 36 1.707 22.367 -24.095 1.00 72.12 C ATOM 515 OD1 ASP A 36 1.638 23.562 -23.733 1.00 41.11 O ATOM 516 OD2 ASP A 36 2.789 21.760 -24.225 1.00 5.21 O ATOM 0 H ASP A 36 -1.947 20.825 -24.673 1.00 23.32 H new ATOM 0 HA ASP A 36 -0.602 23.390 -24.875 1.00 30.42 H new ATOM 0 HB2 ASP A 36 -0.057 21.431 -23.317 1.00 13.42 H new ATOM 0 HB3 ASP A 36 0.622 20.627 -24.718 1.00 13.42 H new ATOM 521 N LEU A 37 -0.614 21.164 -27.284 1.00 4.03 N ATOM 522 CA LEU A 37 -0.418 20.928 -28.711 1.00 44.32 C ATOM 523 C LEU A 37 -1.340 21.824 -29.557 1.00 24.50 C ATOM 524 O LEU A 37 -1.501 21.604 -30.751 1.00 13.22 O ATOM 525 CB LEU A 37 -0.716 19.456 -29.019 1.00 0.34 C ATOM 526 CG LEU A 37 0.067 18.372 -28.263 1.00 3.33 C ATOM 527 CD1 LEU A 37 -0.654 17.023 -28.402 1.00 31.43 C ATOM 528 CD2 LEU A 37 1.501 18.242 -28.772 1.00 25.41 C ATOM 0 H LEU A 37 -1.155 20.433 -26.821 1.00 4.03 H new ATOM 0 HA LEU A 37 0.615 21.169 -28.964 1.00 44.32 H new ATOM 0 HB2 LEU A 37 -1.777 19.288 -28.834 1.00 0.34 H new ATOM 0 HB3 LEU A 37 -0.550 19.301 -30.085 1.00 0.34 H new ATOM 0 HG LEU A 37 0.113 18.667 -27.215 1.00 3.33 H new ATOM 0 HD11 LEU A 37 -0.097 16.256 -27.865 1.00 31.43 H new ATOM 0 HD12 LEU A 37 -1.658 17.102 -27.984 1.00 31.43 H new ATOM 0 HD13 LEU A 37 -0.720 16.753 -29.456 1.00 31.43 H new ATOM 0 HD21 LEU A 37 2.018 17.464 -28.209 1.00 25.41 H new ATOM 0 HD22 LEU A 37 1.489 17.978 -29.829 1.00 25.41 H new ATOM 0 HD23 LEU A 37 2.021 19.191 -28.641 1.00 25.41 H new ATOM 540 N GLY A 38 -1.967 22.812 -28.927 1.00 32.32 N ATOM 541 CA GLY A 38 -2.818 23.763 -29.645 1.00 4.22 C ATOM 542 C GLY A 38 -4.271 23.352 -29.793 1.00 15.33 C ATOM 543 O GLY A 38 -5.082 24.012 -30.445 1.00 51.32 O ATOM 0 H GLY A 38 -1.904 22.978 -27.922 1.00 32.32 H new ATOM 0 HA2 GLY A 38 -2.780 24.721 -29.127 1.00 4.22 H new ATOM 0 HA3 GLY A 38 -2.399 23.921 -30.639 1.00 4.22 H new ATOM 547 N GLY A 39 -4.597 22.235 -29.169 1.00 21.01 N ATOM 548 CA GLY A 39 -5.942 21.656 -29.211 1.00 3.14 C ATOM 549 C GLY A 39 -7.016 22.441 -28.457 1.00 44.33 C ATOM 550 O GLY A 39 -7.382 22.112 -27.319 1.00 50.30 O ATOM 0 H GLY A 39 -3.936 21.694 -28.612 1.00 21.01 H new ATOM 0 HA2 GLY A 39 -6.247 21.564 -30.253 1.00 3.14 H new ATOM 0 HA3 GLY A 39 -5.898 20.647 -28.801 1.00 3.14 H new ATOM 554 N SER A 40 -7.558 23.454 -29.118 1.00 42.34 N ATOM 555 CA SER A 40 -8.647 24.245 -28.546 1.00 4.30 C ATOM 556 C SER A 40 -9.917 23.398 -28.397 1.00 32.31 C ATOM 557 O SER A 40 -10.064 22.393 -29.070 1.00 24.15 O ATOM 558 CB SER A 40 -8.945 25.439 -29.445 1.00 42.44 C ATOM 559 OG SER A 40 -7.794 26.241 -29.601 1.00 12.32 O ATOM 0 H SER A 40 -7.265 23.750 -30.049 1.00 42.34 H new ATOM 0 HA SER A 40 -8.336 24.590 -27.560 1.00 4.30 H new ATOM 0 HB2 SER A 40 -9.288 25.091 -30.420 1.00 42.44 H new ATOM 0 HB3 SER A 40 -9.753 26.032 -29.016 1.00 42.44 H new ATOM 0 HG SER A 40 -8.002 27.002 -30.182 1.00 12.32 H new ATOM 565 N SER A 41 -10.867 23.834 -27.577 1.00 43.43 N ATOM 566 CA SER A 41 -12.124 23.094 -27.393 1.00 0.23 C ATOM 567 C SER A 41 -12.911 22.901 -28.694 1.00 61.24 C ATOM 568 O SER A 41 -13.604 21.908 -28.865 1.00 31.14 O ATOM 569 CB SER A 41 -12.987 23.832 -26.375 1.00 74.33 C ATOM 570 OG SER A 41 -12.195 24.209 -25.263 1.00 60.01 O ATOM 0 H SER A 41 -10.798 24.691 -27.029 1.00 43.43 H new ATOM 0 HA SER A 41 -11.864 22.097 -27.038 1.00 0.23 H new ATOM 0 HB2 SER A 41 -13.432 24.715 -26.833 1.00 74.33 H new ATOM 0 HB3 SER A 41 -13.808 23.194 -26.049 1.00 74.33 H new ATOM 0 HG SER A 41 -12.751 24.684 -24.611 1.00 60.01 H new ATOM 576 N ALA A 42 -12.775 23.831 -29.633 1.00 31.42 N ATOM 577 CA ALA A 42 -13.428 23.687 -30.931 1.00 70.14 C ATOM 578 C ALA A 42 -12.760 22.561 -31.742 1.00 13.43 C ATOM 579 O ALA A 42 -13.418 21.804 -32.434 1.00 45.01 O ATOM 580 CB ALA A 42 -13.357 25.016 -31.698 1.00 42.40 C ATOM 0 H ALA A 42 -12.226 24.683 -29.523 1.00 31.42 H new ATOM 0 HA ALA A 42 -14.475 23.424 -30.776 1.00 70.14 H new ATOM 0 HB1 ALA A 42 -13.845 24.904 -32.666 1.00 42.40 H new ATOM 0 HB2 ALA A 42 -13.861 25.794 -31.125 1.00 42.40 H new ATOM 0 HB3 ALA A 42 -12.314 25.294 -31.848 1.00 42.40 H new ATOM 586 N LEU A 43 -11.444 22.461 -31.632 1.00 33.34 N ATOM 587 CA LEU A 43 -10.675 21.444 -32.357 1.00 43.31 C ATOM 588 C LEU A 43 -10.967 20.069 -31.769 1.00 13.13 C ATOM 589 O LEU A 43 -10.973 19.053 -32.476 1.00 3.35 O ATOM 590 CB LEU A 43 -9.184 21.771 -32.295 1.00 40.41 C ATOM 591 CG LEU A 43 -8.231 20.941 -33.173 1.00 52.51 C ATOM 592 CD1 LEU A 43 -8.777 20.698 -34.576 1.00 72.12 C ATOM 593 CD2 LEU A 43 -6.880 21.660 -33.250 1.00 5.14 C ATOM 0 H LEU A 43 -10.877 23.073 -31.045 1.00 33.34 H new ATOM 0 HA LEU A 43 -10.971 21.438 -33.406 1.00 43.31 H new ATOM 0 HB2 LEU A 43 -9.060 22.820 -32.564 1.00 40.41 H new ATOM 0 HB3 LEU A 43 -8.861 21.667 -31.259 1.00 40.41 H new ATOM 0 HG LEU A 43 -8.120 19.960 -32.711 1.00 52.51 H new ATOM 0 HD11 LEU A 43 -8.061 20.108 -35.148 1.00 72.12 H new ATOM 0 HD12 LEU A 43 -9.722 20.159 -34.510 1.00 72.12 H new ATOM 0 HD13 LEU A 43 -8.939 21.654 -35.074 1.00 72.12 H new ATOM 0 HD21 LEU A 43 -6.195 21.082 -33.870 1.00 5.14 H new ATOM 0 HD22 LEU A 43 -7.018 22.649 -33.687 1.00 5.14 H new ATOM 0 HD23 LEU A 43 -6.464 21.762 -32.248 1.00 5.14 H new ATOM 605 N ALA A 44 -11.286 20.035 -30.482 1.00 63.42 N ATOM 606 CA ALA A 44 -11.679 18.788 -29.820 1.00 71.23 C ATOM 607 C ALA A 44 -12.887 18.139 -30.463 1.00 32.45 C ATOM 608 O ALA A 44 -13.038 16.939 -30.478 1.00 15.21 O ATOM 609 CB ALA A 44 -11.941 19.047 -28.332 1.00 43.33 C ATOM 0 H ALA A 44 -11.282 20.853 -29.872 1.00 63.42 H new ATOM 0 HA ALA A 44 -10.851 18.088 -29.932 1.00 71.23 H new ATOM 0 HB1 ALA A 44 -12.233 18.116 -27.846 1.00 43.33 H new ATOM 0 HB2 ALA A 44 -11.035 19.432 -27.865 1.00 43.33 H new ATOM 0 HB3 ALA A 44 -12.742 19.778 -28.226 1.00 43.33 H new ATOM 615 N MET A 45 -13.763 18.936 -31.036 1.00 64.52 N ATOM 616 CA MET A 45 -14.955 18.413 -31.724 1.00 50.42 C ATOM 617 C MET A 45 -14.534 17.550 -32.926 1.00 61.54 C ATOM 618 O MET A 45 -15.153 16.520 -33.228 1.00 4.23 O ATOM 619 CB MET A 45 -15.837 19.563 -32.198 1.00 21.21 C ATOM 620 CG MET A 45 -16.380 20.394 -31.020 1.00 0.22 C ATOM 621 SD MET A 45 -17.406 21.779 -31.633 1.00 11.22 S ATOM 622 CE MET A 45 -18.929 20.936 -32.130 1.00 74.25 C ATOM 0 H MET A 45 -13.684 19.953 -31.047 1.00 64.52 H new ATOM 0 HA MET A 45 -15.521 17.798 -31.024 1.00 50.42 H new ATOM 0 HB2 MET A 45 -15.265 20.209 -32.864 1.00 21.21 H new ATOM 0 HB3 MET A 45 -16.671 19.166 -32.777 1.00 21.21 H new ATOM 0 HG2 MET A 45 -16.972 19.759 -30.361 1.00 0.22 H new ATOM 0 HG3 MET A 45 -15.551 20.782 -30.428 1.00 0.22 H new ATOM 0 HE1 MET A 45 -19.670 21.674 -32.438 1.00 74.25 H new ATOM 0 HE2 MET A 45 -18.718 20.265 -32.962 1.00 74.25 H new ATOM 0 HE3 MET A 45 -19.317 20.361 -31.289 1.00 74.25 H new ATOM 632 N ARG A 46 -13.447 17.930 -33.596 1.00 13.44 N ATOM 633 CA ARG A 46 -12.925 17.148 -34.720 1.00 75.31 C ATOM 634 C ARG A 46 -12.373 15.831 -34.209 1.00 13.13 C ATOM 635 O ARG A 46 -12.492 14.816 -34.871 1.00 12.33 O ATOM 636 CB ARG A 46 -11.816 17.916 -35.452 1.00 24.22 C ATOM 637 CG ARG A 46 -12.010 17.933 -36.956 1.00 13.11 C ATOM 638 CD ARG A 46 -10.677 17.830 -37.720 1.00 3.30 C ATOM 639 NE ARG A 46 -9.794 19.003 -37.549 1.00 40.33 N ATOM 640 CZ ARG A 46 -9.795 20.093 -38.314 1.00 11.42 C ATOM 641 NH1 ARG A 46 -10.635 20.257 -39.306 1.00 74.11 N ATOM 642 NH2 ARG A 46 -8.921 21.030 -38.077 1.00 54.52 N ATOM 0 H ARG A 46 -12.911 18.771 -33.382 1.00 13.44 H new ATOM 0 HA ARG A 46 -13.740 16.963 -35.420 1.00 75.31 H new ATOM 0 HB2 ARG A 46 -11.785 18.941 -35.082 1.00 24.22 H new ATOM 0 HB3 ARG A 46 -10.852 17.464 -35.219 1.00 24.22 H new ATOM 0 HG2 ARG A 46 -12.657 17.105 -37.246 1.00 13.11 H new ATOM 0 HG3 ARG A 46 -12.521 18.852 -37.244 1.00 13.11 H new ATOM 0 HD2 ARG A 46 -10.147 16.938 -37.387 1.00 3.30 H new ATOM 0 HD3 ARG A 46 -10.888 17.698 -38.781 1.00 3.30 H new ATOM 0 HE ARG A 46 -9.126 18.975 -36.778 1.00 40.33 H new ATOM 0 HH11 ARG A 46 -11.323 19.534 -39.517 1.00 74.11 H new ATOM 0 HH12 ARG A 46 -10.601 21.108 -39.867 1.00 74.11 H new ATOM 0 HH21 ARG A 46 -8.251 20.922 -37.316 1.00 54.52 H new ATOM 0 HH22 ARG A 46 -8.907 21.872 -38.653 1.00 54.52 H new ATOM 656 N LEU A 47 -11.764 15.857 -33.030 1.00 14.52 N ATOM 657 CA LEU A 47 -11.197 14.643 -32.438 1.00 1.13 C ATOM 658 C LEU A 47 -12.304 13.649 -32.144 1.00 21.25 C ATOM 659 O LEU A 47 -12.214 12.489 -32.506 1.00 14.34 O ATOM 660 CB LEU A 47 -10.422 14.976 -31.164 1.00 61.31 C ATOM 661 CG LEU A 47 -9.735 13.803 -30.451 1.00 52.22 C ATOM 662 CD1 LEU A 47 -8.613 13.187 -31.271 1.00 64.14 C ATOM 663 CD2 LEU A 47 -9.191 14.271 -29.095 1.00 11.40 C ATOM 0 H LEU A 47 -11.648 16.698 -32.465 1.00 14.52 H new ATOM 0 HA LEU A 47 -10.502 14.197 -33.149 1.00 1.13 H new ATOM 0 HB2 LEU A 47 -9.662 15.717 -31.412 1.00 61.31 H new ATOM 0 HB3 LEU A 47 -11.109 15.447 -30.461 1.00 61.31 H new ATOM 0 HG LEU A 47 -10.488 13.028 -30.311 1.00 52.22 H new ATOM 0 HD11 LEU A 47 -8.166 12.363 -30.715 1.00 64.14 H new ATOM 0 HD12 LEU A 47 -9.014 12.813 -32.213 1.00 64.14 H new ATOM 0 HD13 LEU A 47 -7.854 13.942 -31.474 1.00 64.14 H new ATOM 0 HD21 LEU A 47 -8.704 13.436 -28.591 1.00 11.40 H new ATOM 0 HD22 LEU A 47 -8.469 15.073 -29.250 1.00 11.40 H new ATOM 0 HD23 LEU A 47 -10.013 14.637 -28.480 1.00 11.40 H new ATOM 675 N ILE A 48 -13.364 14.133 -31.523 1.00 42.13 N ATOM 676 CA ILE A 48 -14.519 13.299 -31.170 1.00 21.40 C ATOM 677 C ILE A 48 -15.142 12.699 -32.430 1.00 21.34 C ATOM 678 O ILE A 48 -15.539 11.535 -32.438 1.00 33.21 O ATOM 679 CB ILE A 48 -15.549 14.125 -30.367 1.00 32.14 C ATOM 680 CG1 ILE A 48 -14.919 14.570 -29.021 1.00 0.04 C ATOM 681 CG2 ILE A 48 -16.842 13.310 -30.100 1.00 40.10 C ATOM 682 CD1 ILE A 48 -15.586 15.768 -28.397 1.00 44.51 C ATOM 0 H ILE A 48 -13.457 15.110 -31.246 1.00 42.13 H new ATOM 0 HA ILE A 48 -14.186 12.476 -30.538 1.00 21.40 H new ATOM 0 HB ILE A 48 -15.820 15.001 -30.956 1.00 32.14 H new ATOM 0 HG12 ILE A 48 -14.961 13.737 -28.319 1.00 0.04 H new ATOM 0 HG13 ILE A 48 -13.865 14.797 -29.183 1.00 0.04 H new ATOM 0 HG21 ILE A 48 -17.546 13.920 -29.533 1.00 40.10 H new ATOM 0 HG22 ILE A 48 -17.294 13.023 -31.050 1.00 40.10 H new ATOM 0 HG23 ILE A 48 -16.596 12.414 -29.529 1.00 40.10 H new ATOM 0 HD11 ILE A 48 -15.087 16.015 -27.460 1.00 44.51 H new ATOM 0 HD12 ILE A 48 -15.521 16.617 -29.078 1.00 44.51 H new ATOM 0 HD13 ILE A 48 -16.634 15.540 -28.201 1.00 44.51 H new ATOM 694 N ALA A 49 -15.220 13.485 -33.491 1.00 10.23 N ATOM 695 CA ALA A 49 -15.768 13.004 -34.749 1.00 54.31 C ATOM 696 C ALA A 49 -14.894 11.883 -35.336 1.00 11.54 C ATOM 697 O ALA A 49 -15.411 10.894 -35.811 1.00 74.00 O ATOM 698 CB ALA A 49 -15.884 14.167 -35.751 1.00 55.44 C ATOM 0 H ALA A 49 -14.912 14.457 -33.507 1.00 10.23 H new ATOM 0 HA ALA A 49 -16.761 12.596 -34.558 1.00 54.31 H new ATOM 0 HB1 ALA A 49 -16.295 13.798 -36.691 1.00 55.44 H new ATOM 0 HB2 ALA A 49 -16.542 14.934 -35.343 1.00 55.44 H new ATOM 0 HB3 ALA A 49 -14.897 14.593 -35.930 1.00 55.44 H new ATOM 704 N ARG A 50 -13.579 12.077 -35.296 1.00 70.52 N ATOM 705 CA ARG A 50 -12.629 11.122 -35.894 1.00 61.23 C ATOM 706 C ARG A 50 -12.653 9.793 -35.103 1.00 35.01 C ATOM 707 O ARG A 50 -12.472 8.733 -35.667 1.00 52.03 O ATOM 708 CB ARG A 50 -11.179 11.666 -35.826 1.00 4.24 C ATOM 709 CG ARG A 50 -10.209 11.149 -36.898 1.00 20.35 C ATOM 710 CD ARG A 50 -10.408 11.746 -38.324 1.00 21.20 C ATOM 711 NE ARG A 50 -9.353 11.264 -39.249 1.00 41.54 N ATOM 712 CZ ARG A 50 -8.162 11.841 -39.432 1.00 22.01 C ATOM 713 NH1 ARG A 50 -7.816 12.957 -38.851 1.00 54.03 N ATOM 714 NH2 ARG A 50 -7.299 11.250 -40.218 1.00 1.12 N ATOM 0 H ARG A 50 -13.139 12.886 -34.857 1.00 70.52 H new ATOM 0 HA ARG A 50 -12.926 10.971 -36.932 1.00 61.23 H new ATOM 0 HB2 ARG A 50 -11.218 12.753 -35.895 1.00 4.24 H new ATOM 0 HB3 ARG A 50 -10.768 11.423 -34.846 1.00 4.24 H new ATOM 0 HG2 ARG A 50 -9.190 11.360 -36.573 1.00 20.35 H new ATOM 0 HG3 ARG A 50 -10.306 10.065 -36.960 1.00 20.35 H new ATOM 0 HD2 ARG A 50 -11.389 11.466 -38.707 1.00 21.20 H new ATOM 0 HD3 ARG A 50 -10.384 12.835 -38.274 1.00 21.20 H new ATOM 0 HE ARG A 50 -9.553 10.423 -39.790 1.00 41.54 H new ATOM 0 HH11 ARG A 50 -8.468 13.429 -38.224 1.00 54.03 H new ATOM 0 HH12 ARG A 50 -6.894 13.357 -39.024 1.00 54.03 H new ATOM 0 HH21 ARG A 50 -7.543 10.371 -40.673 1.00 1.12 H new ATOM 0 HH22 ARG A 50 -6.382 11.669 -40.375 1.00 1.12 H new ATOM 728 N ILE A 51 -12.856 9.890 -33.790 1.00 62.33 N ATOM 729 CA ILE A 51 -12.809 8.746 -32.928 1.00 41.44 C ATOM 730 C ILE A 51 -13.934 7.781 -33.324 1.00 31.20 C ATOM 731 O ILE A 51 -13.803 6.578 -33.188 1.00 21.33 O ATOM 732 CB ILE A 51 -12.917 9.154 -31.415 1.00 41.52 C ATOM 733 CG1 ILE A 51 -11.559 9.692 -30.898 1.00 32.12 C ATOM 734 CG2 ILE A 51 -13.298 7.957 -30.508 1.00 11.24 C ATOM 735 CD1 ILE A 51 -11.651 10.430 -29.550 1.00 15.52 C ATOM 0 H ILE A 51 -13.056 10.768 -33.311 1.00 62.33 H new ATOM 0 HA ILE A 51 -11.845 8.251 -33.048 1.00 41.44 H new ATOM 0 HB ILE A 51 -13.695 9.916 -31.366 1.00 41.52 H new ATOM 0 HG12 ILE A 51 -10.864 8.858 -30.798 1.00 32.12 H new ATOM 0 HG13 ILE A 51 -11.140 10.368 -31.643 1.00 32.12 H new ATOM 0 HG21 ILE A 51 -13.360 8.291 -29.472 1.00 11.24 H new ATOM 0 HG22 ILE A 51 -14.263 7.558 -30.819 1.00 11.24 H new ATOM 0 HG23 ILE A 51 -12.539 7.179 -30.594 1.00 11.24 H new ATOM 0 HD11 ILE A 51 -10.660 10.776 -29.256 1.00 15.52 H new ATOM 0 HD12 ILE A 51 -12.319 11.285 -29.648 1.00 15.52 H new ATOM 0 HD13 ILE A 51 -12.039 9.752 -28.790 1.00 15.52 H new ATOM 747 N ARG A 52 -15.004 8.308 -33.881 1.00 64.31 N ATOM 748 CA ARG A 52 -16.162 7.483 -34.282 1.00 34.21 C ATOM 749 C ARG A 52 -15.808 6.483 -35.352 1.00 44.31 C ATOM 750 O ARG A 52 -16.360 5.410 -35.414 1.00 42.44 O ATOM 751 CB ARG A 52 -17.302 8.324 -34.797 1.00 34.51 C ATOM 752 CG ARG A 52 -17.994 9.149 -33.744 1.00 13.34 C ATOM 753 CD ARG A 52 -18.842 10.174 -34.460 1.00 74.22 C ATOM 754 NE ARG A 52 -19.551 11.057 -33.528 1.00 70.32 N ATOM 755 CZ ARG A 52 -20.764 10.844 -33.030 1.00 75.02 C ATOM 756 NH1 ARG A 52 -21.473 9.785 -33.332 1.00 63.14 N ATOM 757 NH2 ARG A 52 -21.284 11.720 -32.207 1.00 12.50 N ATOM 0 H ARG A 52 -15.112 9.304 -34.073 1.00 64.31 H new ATOM 0 HA ARG A 52 -16.467 6.958 -33.377 1.00 34.21 H new ATOM 0 HB2 ARG A 52 -16.924 8.990 -35.572 1.00 34.51 H new ATOM 0 HB3 ARG A 52 -18.036 7.670 -35.268 1.00 34.51 H new ATOM 0 HG2 ARG A 52 -18.612 8.517 -33.106 1.00 13.34 H new ATOM 0 HG3 ARG A 52 -17.265 9.638 -33.098 1.00 13.34 H new ATOM 0 HD2 ARG A 52 -18.209 10.773 -35.115 1.00 74.22 H new ATOM 0 HD3 ARG A 52 -19.566 9.664 -35.096 1.00 74.22 H new ATOM 0 HE ARG A 52 -19.071 11.909 -33.237 1.00 70.32 H new ATOM 0 HH11 ARG A 52 -21.097 9.085 -33.972 1.00 63.14 H new ATOM 0 HH12 ARG A 52 -22.401 9.660 -32.927 1.00 63.14 H new ATOM 0 HH21 ARG A 52 -20.758 12.557 -31.954 1.00 12.50 H new ATOM 0 HH22 ARG A 52 -22.215 11.566 -31.819 1.00 12.50 H new ATOM 771 N GLU A 53 -14.888 6.867 -36.210 1.00 24.20 N ATOM 772 CA GLU A 53 -14.506 6.069 -37.365 1.00 21.25 C ATOM 773 C GLU A 53 -13.546 4.995 -36.899 1.00 2.13 C ATOM 774 O GLU A 53 -13.549 3.860 -37.380 1.00 53.12 O ATOM 775 CB GLU A 53 -13.819 6.926 -38.389 1.00 65.43 C ATOM 776 CG GLU A 53 -14.549 8.288 -38.652 1.00 53.14 C ATOM 777 CD GLU A 53 -15.985 8.095 -39.051 1.00 51.21 C ATOM 778 OE1 GLU A 53 -16.250 7.477 -40.109 1.00 13.33 O ATOM 779 OE2 GLU A 53 -16.873 8.626 -38.340 1.00 24.41 O ATOM 0 H GLU A 53 -14.378 7.747 -36.129 1.00 24.20 H new ATOM 0 HA GLU A 53 -15.396 5.629 -37.816 1.00 21.25 H new ATOM 0 HB2 GLU A 53 -12.800 7.126 -38.059 1.00 65.43 H new ATOM 0 HB3 GLU A 53 -13.748 6.373 -39.326 1.00 65.43 H new ATOM 0 HG2 GLU A 53 -14.503 8.902 -37.753 1.00 53.14 H new ATOM 0 HG3 GLU A 53 -14.026 8.833 -39.438 1.00 53.14 H new ATOM 786 N GLU A 54 -12.687 5.374 -35.944 1.00 63.52 N ATOM 787 CA GLU A 54 -11.632 4.459 -35.491 1.00 72.41 C ATOM 788 C GLU A 54 -12.081 3.446 -34.451 1.00 33.41 C ATOM 789 O GLU A 54 -11.635 2.345 -34.435 1.00 34.43 O ATOM 790 CB GLU A 54 -10.498 5.285 -34.892 1.00 3.42 C ATOM 791 CG GLU A 54 -9.773 6.234 -35.849 1.00 34.13 C ATOM 792 CD GLU A 54 -9.002 5.512 -36.947 1.00 74.22 C ATOM 793 OE1 GLU A 54 -8.195 4.605 -36.624 1.00 0.10 O ATOM 794 OE2 GLU A 54 -9.114 5.933 -38.116 1.00 61.42 O ATOM 0 H GLU A 54 -12.699 6.283 -35.481 1.00 63.52 H new ATOM 0 HA GLU A 54 -11.323 3.890 -36.368 1.00 72.41 H new ATOM 0 HB2 GLU A 54 -10.901 5.873 -34.067 1.00 3.42 H new ATOM 0 HB3 GLU A 54 -9.764 4.601 -34.467 1.00 3.42 H new ATOM 0 HG2 GLU A 54 -10.501 6.903 -36.307 1.00 34.13 H new ATOM 0 HG3 GLU A 54 -9.083 6.856 -35.279 1.00 34.13 H new ATOM 801 N LEU A 55 -12.914 3.896 -33.554 1.00 44.20 N ATOM 802 CA LEU A 55 -13.276 3.091 -32.402 1.00 60.22 C ATOM 803 C LEU A 55 -14.753 2.736 -32.347 1.00 64.21 C ATOM 804 O LEU A 55 -15.203 1.981 -31.479 1.00 45.44 O ATOM 805 CB LEU A 55 -12.831 3.763 -31.114 1.00 11.41 C ATOM 806 CG LEU A 55 -11.304 3.631 -31.091 1.00 70.30 C ATOM 807 CD1 LEU A 55 -10.730 4.944 -30.848 1.00 62.24 C ATOM 808 CD2 LEU A 55 -10.867 2.616 -30.046 1.00 43.51 C ATOM 0 H LEU A 55 -13.359 4.813 -33.591 1.00 44.20 H new ATOM 0 HA LEU A 55 -12.744 2.146 -32.514 1.00 60.22 H new ATOM 0 HB2 LEU A 55 -13.135 4.810 -31.092 1.00 11.41 H new ATOM 0 HB3 LEU A 55 -13.280 3.282 -30.245 1.00 11.41 H new ATOM 0 HG LEU A 55 -10.945 3.262 -32.052 1.00 70.30 H new ATOM 0 HD11 LEU A 55 -9.643 4.868 -30.829 1.00 62.24 H new ATOM 0 HD12 LEU A 55 -11.032 5.626 -31.643 1.00 62.24 H new ATOM 0 HD13 LEU A 55 -11.084 5.324 -29.890 1.00 62.24 H new ATOM 0 HD21 LEU A 55 -9.780 2.538 -30.047 1.00 43.51 H new ATOM 0 HD22 LEU A 55 -11.207 2.938 -29.062 1.00 43.51 H new ATOM 0 HD23 LEU A 55 -11.301 1.644 -30.280 1.00 43.51 H new ATOM 820 N GLY A 56 -15.499 3.236 -33.311 1.00 34.43 N ATOM 821 CA GLY A 56 -16.921 2.961 -33.414 1.00 31.23 C ATOM 822 C GLY A 56 -17.705 3.608 -32.280 1.00 61.44 C ATOM 823 O GLY A 56 -18.736 3.107 -31.866 1.00 0.33 O ATOM 0 H GLY A 56 -15.138 3.845 -34.046 1.00 34.43 H new ATOM 0 HA2 GLY A 56 -17.294 3.329 -34.370 1.00 31.23 H new ATOM 0 HA3 GLY A 56 -17.085 1.883 -33.401 1.00 31.23 H new ATOM 827 N VAL A 57 -17.174 4.688 -31.726 1.00 75.51 N ATOM 828 CA VAL A 57 -17.719 5.286 -30.524 1.00 1.51 C ATOM 829 C VAL A 57 -17.583 6.810 -30.549 1.00 61.43 C ATOM 830 O VAL A 57 -16.614 7.347 -31.087 1.00 50.32 O ATOM 831 CB VAL A 57 -16.975 4.678 -29.290 1.00 32.15 C ATOM 832 CG1 VAL A 57 -15.503 5.020 -29.296 1.00 43.14 C ATOM 833 CG2 VAL A 57 -17.592 5.127 -27.958 1.00 74.35 C ATOM 0 H VAL A 57 -16.356 5.170 -32.098 1.00 75.51 H new ATOM 0 HA VAL A 57 -18.785 5.066 -30.460 1.00 1.51 H new ATOM 0 HB VAL A 57 -17.090 3.598 -29.379 1.00 32.15 H new ATOM 0 HG11 VAL A 57 -15.023 4.579 -28.422 1.00 43.14 H new ATOM 0 HG12 VAL A 57 -15.042 4.626 -30.201 1.00 43.14 H new ATOM 0 HG13 VAL A 57 -15.381 6.103 -29.269 1.00 43.14 H new ATOM 0 HG21 VAL A 57 -17.040 4.678 -27.132 1.00 74.35 H new ATOM 0 HG22 VAL A 57 -17.541 6.213 -27.881 1.00 74.35 H new ATOM 0 HG23 VAL A 57 -18.634 4.809 -27.914 1.00 74.35 H new ATOM 843 N ASP A 58 -18.521 7.509 -29.935 1.00 70.15 N ATOM 844 CA ASP A 58 -18.415 8.958 -29.810 1.00 14.22 C ATOM 845 C ASP A 58 -17.741 9.267 -28.485 1.00 33.15 C ATOM 846 O ASP A 58 -18.224 8.902 -27.418 1.00 63.10 O ATOM 847 CB ASP A 58 -19.781 9.643 -29.932 1.00 64.22 C ATOM 848 CG ASP A 58 -20.741 9.285 -28.804 1.00 61.51 C ATOM 849 OD1 ASP A 58 -21.052 8.085 -28.626 1.00 64.43 O ATOM 850 OD2 ASP A 58 -21.299 10.229 -28.200 1.00 23.31 O ATOM 0 H ASP A 58 -19.359 7.104 -29.517 1.00 70.15 H new ATOM 0 HA ASP A 58 -17.814 9.355 -30.628 1.00 14.22 H new ATOM 0 HB2 ASP A 58 -19.637 10.723 -29.947 1.00 64.22 H new ATOM 0 HB3 ASP A 58 -20.233 9.368 -30.885 1.00 64.22 H new ATOM 855 N LEU A 59 -16.582 9.899 -28.544 1.00 20.12 N ATOM 856 CA LEU A 59 -15.842 10.189 -27.321 1.00 24.33 C ATOM 857 C LEU A 59 -16.621 11.167 -26.430 1.00 34.21 C ATOM 858 O LEU A 59 -16.939 12.290 -26.849 1.00 5.52 O ATOM 859 CB LEU A 59 -14.476 10.780 -27.620 1.00 35.14 C ATOM 860 CG LEU A 59 -13.618 11.056 -26.361 1.00 44.42 C ATOM 861 CD1 LEU A 59 -12.959 9.800 -25.866 1.00 52.45 C ATOM 862 CD2 LEU A 59 -12.560 12.141 -26.556 1.00 71.53 C ATOM 0 H LEU A 59 -16.137 10.217 -29.405 1.00 20.12 H new ATOM 0 HA LEU A 59 -15.710 9.241 -26.800 1.00 24.33 H new ATOM 0 HB2 LEU A 59 -13.933 10.099 -28.275 1.00 35.14 H new ATOM 0 HB3 LEU A 59 -14.608 11.713 -28.169 1.00 35.14 H new ATOM 0 HG LEU A 59 -14.322 11.427 -25.616 1.00 44.42 H new ATOM 0 HD11 LEU A 59 -12.364 10.026 -24.981 1.00 52.45 H new ATOM 0 HD12 LEU A 59 -13.722 9.065 -25.612 1.00 52.45 H new ATOM 0 HD13 LEU A 59 -12.312 9.397 -26.645 1.00 52.45 H new ATOM 0 HD21 LEU A 59 -12.001 12.275 -25.630 1.00 71.53 H new ATOM 0 HD22 LEU A 59 -11.877 11.844 -27.352 1.00 71.53 H new ATOM 0 HD23 LEU A 59 -13.046 13.079 -26.826 1.00 71.53 H new ATOM 874 N PRO A 60 -16.870 10.790 -25.162 1.00 64.44 N ATOM 875 CA PRO A 60 -17.467 11.769 -24.252 1.00 32.15 C ATOM 876 C PRO A 60 -16.522 12.940 -24.012 1.00 63.50 C ATOM 877 O PRO A 60 -15.419 12.753 -23.493 1.00 51.12 O ATOM 878 CB PRO A 60 -17.671 10.962 -22.955 1.00 50.53 C ATOM 879 CG PRO A 60 -17.578 9.527 -23.369 1.00 50.05 C ATOM 880 CD PRO A 60 -16.588 9.519 -24.477 1.00 14.32 C ATOM 0 HA PRO A 60 -18.388 12.205 -24.640 1.00 32.15 H new ATOM 0 HB2 PRO A 60 -16.911 11.208 -22.214 1.00 50.53 H new ATOM 0 HB3 PRO A 60 -18.639 11.180 -22.503 1.00 50.53 H new ATOM 0 HG2 PRO A 60 -17.252 8.896 -22.542 1.00 50.05 H new ATOM 0 HG3 PRO A 60 -18.545 9.146 -23.699 1.00 50.05 H new ATOM 0 HD2 PRO A 60 -15.564 9.476 -24.106 1.00 14.32 H new ATOM 0 HD3 PRO A 60 -16.724 8.663 -25.137 1.00 14.32 H new ATOM 888 N ILE A 61 -16.937 14.155 -24.349 1.00 43.42 N ATOM 889 CA ILE A 61 -16.072 15.331 -24.154 1.00 72.33 C ATOM 890 C ILE A 61 -15.768 15.580 -22.676 1.00 55.42 C ATOM 891 O ILE A 61 -14.740 16.144 -22.329 1.00 25.20 O ATOM 892 CB ILE A 61 -16.665 16.587 -24.841 1.00 65.21 C ATOM 893 CG1 ILE A 61 -15.552 17.622 -25.102 1.00 73.13 C ATOM 894 CG2 ILE A 61 -17.838 17.183 -24.032 1.00 71.41 C ATOM 895 CD1 ILE A 61 -15.926 18.725 -26.093 1.00 23.11 C ATOM 0 H ILE A 61 -17.851 14.359 -24.753 1.00 43.42 H new ATOM 0 HA ILE A 61 -15.119 15.115 -24.637 1.00 72.33 H new ATOM 0 HB ILE A 61 -17.081 16.290 -25.804 1.00 65.21 H new ATOM 0 HG12 ILE A 61 -15.273 18.083 -24.154 1.00 73.13 H new ATOM 0 HG13 ILE A 61 -14.670 17.101 -25.475 1.00 73.13 H new ATOM 0 HG21 ILE A 61 -18.226 18.062 -24.547 1.00 71.41 H new ATOM 0 HG22 ILE A 61 -18.629 16.439 -23.937 1.00 71.41 H new ATOM 0 HG23 ILE A 61 -17.488 17.469 -23.040 1.00 71.41 H new ATOM 0 HD11 ILE A 61 -15.084 19.406 -26.214 1.00 23.11 H new ATOM 0 HD12 ILE A 61 -16.174 18.280 -27.056 1.00 23.11 H new ATOM 0 HD13 ILE A 61 -16.787 19.277 -25.716 1.00 23.11 H new ATOM 907 N ARG A 62 -16.635 15.081 -21.794 1.00 23.12 N ATOM 908 CA ARG A 62 -16.375 15.159 -20.357 1.00 11.30 C ATOM 909 C ARG A 62 -15.144 14.370 -20.010 1.00 52.12 C ATOM 910 O ARG A 62 -14.399 14.776 -19.105 1.00 21.41 O ATOM 911 CB ARG A 62 -17.547 14.624 -19.536 1.00 14.23 C ATOM 912 CG ARG A 62 -18.577 15.691 -19.206 1.00 71.41 C ATOM 913 CD ARG A 62 -19.766 15.126 -18.418 1.00 31.52 C ATOM 914 NE ARG A 62 -19.410 14.716 -17.045 1.00 73.23 N ATOM 915 CZ ARG A 62 -19.388 15.512 -15.981 1.00 14.33 C ATOM 916 NH1 ARG A 62 -19.664 16.793 -16.047 1.00 72.21 N ATOM 917 NH2 ARG A 62 -19.087 14.999 -14.822 1.00 71.03 N ATOM 0 H ARG A 62 -17.512 14.624 -22.045 1.00 23.12 H new ATOM 0 HA ARG A 62 -16.232 16.212 -20.114 1.00 11.30 H new ATOM 0 HB2 ARG A 62 -18.031 13.818 -20.087 1.00 14.23 H new ATOM 0 HB3 ARG A 62 -17.168 14.194 -18.609 1.00 14.23 H new ATOM 0 HG2 ARG A 62 -18.103 16.484 -18.627 1.00 71.41 H new ATOM 0 HG3 ARG A 62 -18.938 16.143 -20.130 1.00 71.41 H new ATOM 0 HD2 ARG A 62 -20.554 15.877 -18.373 1.00 31.52 H new ATOM 0 HD3 ARG A 62 -20.173 14.268 -18.953 1.00 31.52 H new ATOM 0 HE ARG A 62 -19.159 13.738 -16.901 1.00 73.23 H new ATOM 0 HH11 ARG A 62 -19.908 17.217 -16.942 1.00 72.21 H new ATOM 0 HH12 ARG A 62 -19.634 17.365 -15.203 1.00 72.21 H new ATOM 0 HH21 ARG A 62 -18.874 14.005 -14.744 1.00 71.03 H new ATOM 0 HH22 ARG A 62 -19.064 15.592 -13.992 1.00 71.03 H new ATOM 931 N GLN A 63 -14.865 13.255 -20.680 1.00 52.13 N ATOM 932 CA GLN A 63 -13.651 12.488 -20.378 1.00 52.11 C ATOM 933 C GLN A 63 -12.462 13.246 -20.882 1.00 31.13 C ATOM 934 O GLN A 63 -11.451 13.272 -20.225 1.00 40.51 O ATOM 935 CB GLN A 63 -13.723 11.116 -21.050 1.00 3.14 C ATOM 936 CG GLN A 63 -14.192 9.943 -20.102 1.00 52.10 C ATOM 937 CD GLN A 63 -15.738 9.974 -19.866 1.00 1.14 C ATOM 938 OE1 GLN A 63 -16.429 9.040 -20.215 1.00 2.01 O ATOM 939 NE2 GLN A 63 -16.230 10.947 -19.100 1.00 23.24 N ATOM 0 H GLN A 63 -15.447 12.865 -21.421 1.00 52.13 H new ATOM 0 HA GLN A 63 -13.563 12.343 -19.301 1.00 52.11 H new ATOM 0 HB2 GLN A 63 -14.407 11.176 -21.897 1.00 3.14 H new ATOM 0 HB3 GLN A 63 -12.740 10.870 -21.451 1.00 3.14 H new ATOM 0 HG2 GLN A 63 -13.910 8.986 -20.540 1.00 52.10 H new ATOM 0 HG3 GLN A 63 -13.676 10.020 -19.145 1.00 52.10 H new ATOM 0 HE21 GLN A 63 -15.633 11.724 -18.817 1.00 23.24 H new ATOM 0 HE22 GLN A 63 -17.203 10.915 -18.797 1.00 23.24 H new ATOM 948 N LEU A 64 -12.598 13.893 -22.029 1.00 63.12 N ATOM 949 CA LEU A 64 -11.479 14.649 -22.595 1.00 61.53 C ATOM 950 C LEU A 64 -11.098 15.821 -21.711 1.00 32.53 C ATOM 951 O LEU A 64 -9.934 16.053 -21.463 1.00 11.51 O ATOM 952 CB LEU A 64 -11.857 15.167 -23.962 1.00 15.11 C ATOM 953 CG LEU A 64 -10.698 15.717 -24.803 1.00 44.14 C ATOM 954 CD1 LEU A 64 -9.793 14.597 -25.318 1.00 13.22 C ATOM 955 CD2 LEU A 64 -11.221 16.497 -25.973 1.00 25.34 C ATOM 0 H LEU A 64 -13.455 13.914 -22.582 1.00 63.12 H new ATOM 0 HA LEU A 64 -10.624 13.977 -22.667 1.00 61.53 H new ATOM 0 HB2 LEU A 64 -12.335 14.360 -24.518 1.00 15.11 H new ATOM 0 HB3 LEU A 64 -12.600 15.955 -23.840 1.00 15.11 H new ATOM 0 HG LEU A 64 -10.113 16.369 -24.154 1.00 44.14 H new ATOM 0 HD11 LEU A 64 -8.984 15.026 -25.909 1.00 13.22 H new ATOM 0 HD12 LEU A 64 -9.375 14.050 -24.473 1.00 13.22 H new ATOM 0 HD13 LEU A 64 -10.375 13.916 -25.939 1.00 13.22 H new ATOM 0 HD21 LEU A 64 -10.385 16.880 -26.558 1.00 25.34 H new ATOM 0 HD22 LEU A 64 -11.835 15.848 -26.598 1.00 25.34 H new ATOM 0 HD23 LEU A 64 -11.824 17.331 -25.614 1.00 25.34 H new ATOM 967 N PHE A 65 -12.082 16.570 -21.241 1.00 23.00 N ATOM 968 CA PHE A 65 -11.794 17.714 -20.388 1.00 45.43 C ATOM 969 C PHE A 65 -11.296 17.289 -19.000 1.00 72.34 C ATOM 970 O PHE A 65 -10.556 18.018 -18.361 1.00 53.13 O ATOM 971 CB PHE A 65 -13.031 18.607 -20.266 1.00 21.31 C ATOM 972 CG PHE A 65 -13.426 19.317 -21.555 1.00 1.01 C ATOM 973 CD1 PHE A 65 -12.547 19.409 -22.672 1.00 5.34 C ATOM 974 CD2 PHE A 65 -14.692 19.938 -21.643 1.00 45.55 C ATOM 975 CE1 PHE A 65 -12.936 20.112 -23.841 1.00 43.31 C ATOM 976 CE2 PHE A 65 -15.076 20.638 -22.816 1.00 14.13 C ATOM 977 CZ PHE A 65 -14.192 20.726 -23.906 1.00 1.10 C ATOM 0 H PHE A 65 -13.072 16.412 -21.431 1.00 23.00 H new ATOM 0 HA PHE A 65 -10.990 18.280 -20.858 1.00 45.43 H new ATOM 0 HB2 PHE A 65 -13.871 17.999 -19.929 1.00 21.31 H new ATOM 0 HB3 PHE A 65 -12.849 19.355 -19.495 1.00 21.31 H new ATOM 0 HD1 PHE A 65 -11.575 18.939 -22.629 1.00 5.34 H new ATOM 0 HD2 PHE A 65 -15.375 19.879 -20.808 1.00 45.55 H new ATOM 0 HE1 PHE A 65 -12.262 20.174 -24.682 1.00 43.31 H new ATOM 0 HE2 PHE A 65 -16.049 21.104 -22.872 1.00 14.13 H new ATOM 0 HZ PHE A 65 -14.482 21.268 -24.794 1.00 1.10 H new ATOM 987 N SER A 66 -11.685 16.105 -18.549 1.00 71.44 N ATOM 988 CA SER A 66 -11.235 15.590 -17.254 1.00 64.12 C ATOM 989 C SER A 66 -9.820 15.043 -17.343 1.00 71.01 C ATOM 990 O SER A 66 -9.094 14.970 -16.344 1.00 73.33 O ATOM 991 CB SER A 66 -12.155 14.456 -16.795 1.00 41.23 C ATOM 992 OG SER A 66 -11.877 14.102 -15.463 1.00 40.12 O ATOM 0 H SER A 66 -12.311 15.480 -19.057 1.00 71.44 H new ATOM 0 HA SER A 66 -11.260 16.417 -16.544 1.00 64.12 H new ATOM 0 HB2 SER A 66 -13.196 14.766 -16.885 1.00 41.23 H new ATOM 0 HB3 SER A 66 -12.024 13.589 -17.442 1.00 41.23 H new ATOM 0 HG SER A 66 -12.475 13.377 -15.186 1.00 40.12 H new ATOM 998 N SER A 67 -9.430 14.610 -18.549 1.00 11.32 N ATOM 999 CA SER A 67 -8.125 14.023 -18.778 1.00 64.24 C ATOM 1000 C SER A 67 -7.692 14.349 -20.207 1.00 71.21 C ATOM 1001 O SER A 67 -7.924 13.564 -21.127 1.00 12.31 O ATOM 1002 CB SER A 67 -8.203 12.512 -18.580 1.00 30.21 C ATOM 1003 OG SER A 67 -8.653 12.206 -17.280 1.00 32.11 O ATOM 0 H SER A 67 -10.015 14.661 -19.383 1.00 11.32 H new ATOM 0 HA SER A 67 -7.398 14.428 -18.074 1.00 64.24 H new ATOM 0 HB2 SER A 67 -8.879 12.077 -19.317 1.00 30.21 H new ATOM 0 HB3 SER A 67 -7.222 12.067 -18.746 1.00 30.21 H new ATOM 0 HG SER A 67 -8.699 11.233 -17.170 1.00 32.11 H new ATOM 1009 N PRO A 68 -7.033 15.502 -20.422 1.00 11.13 N ATOM 1010 CA PRO A 68 -6.665 15.954 -21.782 1.00 2.02 C ATOM 1011 C PRO A 68 -5.436 15.287 -22.404 1.00 52.40 C ATOM 1012 O PRO A 68 -4.806 15.876 -23.271 1.00 70.34 O ATOM 1013 CB PRO A 68 -6.442 17.446 -21.581 1.00 53.35 C ATOM 1014 CG PRO A 68 -5.851 17.520 -20.230 1.00 43.11 C ATOM 1015 CD PRO A 68 -6.647 16.519 -19.421 1.00 55.50 C ATOM 0 HA PRO A 68 -7.443 15.689 -22.498 1.00 2.02 H new ATOM 0 HB2 PRO A 68 -5.773 17.858 -22.336 1.00 53.35 H new ATOM 0 HB3 PRO A 68 -7.376 18.005 -21.643 1.00 53.35 H new ATOM 0 HG2 PRO A 68 -4.791 17.267 -20.245 1.00 43.11 H new ATOM 0 HG3 PRO A 68 -5.933 18.524 -19.814 1.00 43.11 H new ATOM 0 HD2 PRO A 68 -6.051 16.086 -18.617 1.00 55.50 H new ATOM 0 HD3 PRO A 68 -7.520 16.979 -18.958 1.00 55.50 H new ATOM 1023 N THR A 69 -5.101 14.079 -21.978 1.00 5.21 N ATOM 1024 CA THR A 69 -3.962 13.355 -22.543 1.00 72.24 C ATOM 1025 C THR A 69 -4.470 12.089 -23.199 1.00 24.34 C ATOM 1026 O THR A 69 -5.527 11.588 -22.818 1.00 45.22 O ATOM 1027 CB THR A 69 -2.919 12.970 -21.465 1.00 34.43 C ATOM 1028 OG1 THR A 69 -3.524 12.133 -20.480 1.00 25.14 O ATOM 1029 CG2 THR A 69 -2.411 14.174 -20.772 1.00 13.52 C ATOM 0 H THR A 69 -5.598 13.576 -21.243 1.00 5.21 H new ATOM 0 HA THR A 69 -3.473 14.010 -23.264 1.00 72.24 H new ATOM 0 HB THR A 69 -2.101 12.453 -21.967 1.00 34.43 H new ATOM 0 HG1 THR A 69 -2.859 11.892 -19.802 1.00 25.14 H new ATOM 0 HG21 THR A 69 -1.680 13.879 -20.019 1.00 13.52 H new ATOM 0 HG22 THR A 69 -1.939 14.838 -21.496 1.00 13.52 H new ATOM 0 HG23 THR A 69 -3.239 14.693 -20.290 1.00 13.52 H new ATOM 1037 N PRO A 70 -3.754 11.556 -24.204 1.00 52.11 N ATOM 1038 CA PRO A 70 -4.363 10.407 -24.884 1.00 41.41 C ATOM 1039 C PRO A 70 -4.399 9.147 -24.000 1.00 20.31 C ATOM 1040 O PRO A 70 -5.337 8.348 -24.086 1.00 21.43 O ATOM 1041 CB PRO A 70 -3.436 10.222 -26.103 1.00 35.44 C ATOM 1042 CG PRO A 70 -2.181 10.732 -25.682 1.00 60.03 C ATOM 1043 CD PRO A 70 -2.489 11.935 -24.858 1.00 14.54 C ATOM 0 HA PRO A 70 -5.409 10.571 -25.145 1.00 41.41 H new ATOM 0 HB2 PRO A 70 -3.361 9.173 -26.388 1.00 35.44 H new ATOM 0 HB3 PRO A 70 -3.812 10.762 -26.972 1.00 35.44 H new ATOM 0 HG2 PRO A 70 -1.632 9.990 -25.102 1.00 60.03 H new ATOM 0 HG3 PRO A 70 -1.558 10.993 -26.537 1.00 60.03 H new ATOM 0 HD2 PRO A 70 -1.703 12.142 -24.132 1.00 14.54 H new ATOM 0 HD3 PRO A 70 -2.601 12.829 -25.471 1.00 14.54 H new ATOM 1051 N ALA A 71 -3.453 9.013 -23.061 1.00 24.31 N ATOM 1052 CA ALA A 71 -3.534 7.922 -22.126 1.00 34.31 C ATOM 1053 C ALA A 71 -4.559 8.191 -21.012 1.00 54.51 C ATOM 1054 O ALA A 71 -5.267 7.291 -20.556 1.00 4.40 O ATOM 1055 CB ALA A 71 -2.138 7.640 -21.496 1.00 10.43 C ATOM 0 H ALA A 71 -2.652 9.634 -22.942 1.00 24.31 H new ATOM 0 HA ALA A 71 -3.867 7.047 -22.684 1.00 34.31 H new ATOM 0 HB1 ALA A 71 -2.217 6.812 -20.791 1.00 10.43 H new ATOM 0 HB2 ALA A 71 -1.430 7.380 -22.283 1.00 10.43 H new ATOM 0 HB3 ALA A 71 -1.789 8.530 -20.972 1.00 10.43 H new ATOM 1061 N GLY A 72 -4.646 9.419 -20.571 1.00 13.13 N ATOM 1062 CA GLY A 72 -5.522 9.712 -19.461 1.00 1.43 C ATOM 1063 C GLY A 72 -6.954 9.522 -19.876 1.00 52.32 C ATOM 1064 O GLY A 72 -7.730 8.853 -19.184 1.00 33.15 O ATOM 0 H GLY A 72 -4.136 10.217 -20.950 1.00 13.13 H new ATOM 0 HA2 GLY A 72 -5.288 9.059 -18.620 1.00 1.43 H new ATOM 0 HA3 GLY A 72 -5.365 10.736 -19.123 1.00 1.43 H new ATOM 1068 N VAL A 73 -7.269 10.003 -21.044 1.00 34.52 N ATOM 1069 CA VAL A 73 -8.590 9.914 -21.589 1.00 23.41 C ATOM 1070 C VAL A 73 -9.040 8.480 -21.885 1.00 50.43 C ATOM 1071 O VAL A 73 -10.206 8.115 -21.613 1.00 62.25 O ATOM 1072 CB VAL A 73 -8.740 10.802 -22.867 1.00 42.13 C ATOM 1073 CG1 VAL A 73 -8.413 10.071 -24.153 1.00 14.10 C ATOM 1074 CG2 VAL A 73 -10.126 11.328 -22.958 1.00 74.25 C ATOM 0 H VAL A 73 -6.602 10.476 -21.654 1.00 34.52 H new ATOM 0 HA VAL A 73 -9.250 10.293 -20.809 1.00 23.41 H new ATOM 0 HB VAL A 73 -8.018 11.611 -22.759 1.00 42.13 H new ATOM 0 HG11 VAL A 73 -8.539 10.748 -24.998 1.00 14.10 H new ATOM 0 HG12 VAL A 73 -7.382 9.720 -24.120 1.00 14.10 H new ATOM 0 HG13 VAL A 73 -9.083 9.219 -24.268 1.00 14.10 H new ATOM 0 HG21 VAL A 73 -10.223 11.946 -23.851 1.00 74.25 H new ATOM 0 HG22 VAL A 73 -10.828 10.496 -23.014 1.00 74.25 H new ATOM 0 HG23 VAL A 73 -10.346 11.929 -22.076 1.00 74.25 H new ATOM 1084 N ALA A 74 -8.102 7.602 -22.288 1.00 74.12 N ATOM 1085 CA ALA A 74 -8.404 6.210 -22.563 1.00 11.43 C ATOM 1086 C ALA A 74 -8.858 5.485 -21.284 1.00 21.22 C ATOM 1087 O ALA A 74 -9.658 4.579 -21.323 1.00 64.23 O ATOM 1088 CB ALA A 74 -7.149 5.540 -23.036 1.00 54.12 C ATOM 0 H ALA A 74 -7.122 7.849 -22.428 1.00 74.12 H new ATOM 0 HA ALA A 74 -9.198 6.166 -23.309 1.00 11.43 H new ATOM 0 HB1 ALA A 74 -7.355 4.491 -23.249 1.00 54.12 H new ATOM 0 HB2 ALA A 74 -6.794 6.031 -23.942 1.00 54.12 H new ATOM 0 HB3 ALA A 74 -6.385 5.610 -22.262 1.00 54.12 H new ATOM 1094 N ARG A 75 -8.196 5.771 -20.193 1.00 12.02 N ATOM 1095 CA ARG A 75 -8.422 5.063 -18.954 1.00 3.32 C ATOM 1096 C ARG A 75 -9.730 5.573 -18.330 1.00 52.24 C ATOM 1097 O ARG A 75 -10.522 4.882 -17.697 1.00 63.23 O ATOM 1098 CB ARG A 75 -7.126 5.168 -18.054 1.00 44.30 C ATOM 1099 CG ARG A 75 -5.793 4.734 -18.703 1.00 24.11 C ATOM 1100 CD ARG A 75 -5.554 3.251 -18.877 1.00 0.32 C ATOM 1101 NE ARG A 75 -6.274 2.403 -17.937 1.00 20.32 N ATOM 1102 CZ ARG A 75 -6.374 1.088 -18.067 1.00 41.41 C ATOM 1103 NH1 ARG A 75 -5.855 0.485 -19.132 1.00 52.45 N ATOM 1104 NH2 ARG A 75 -7.020 0.374 -17.192 1.00 61.14 N ATOM 0 H ARG A 75 -7.485 6.500 -20.135 1.00 12.02 H new ATOM 0 HA ARG A 75 -8.572 3.993 -19.096 1.00 3.32 H new ATOM 0 HB2 ARG A 75 -7.023 6.202 -17.725 1.00 44.30 H new ATOM 0 HB3 ARG A 75 -7.282 4.563 -17.161 1.00 44.30 H new ATOM 0 HG2 ARG A 75 -5.728 5.203 -19.685 1.00 24.11 H new ATOM 0 HG3 ARG A 75 -4.978 5.138 -18.102 1.00 24.11 H new ATOM 0 HD2 ARG A 75 -5.837 2.968 -19.891 1.00 0.32 H new ATOM 0 HD3 ARG A 75 -4.486 3.055 -18.778 1.00 0.32 H new ATOM 0 HE ARG A 75 -6.725 2.845 -17.136 1.00 20.32 H new ATOM 0 HH11 ARG A 75 -5.380 1.034 -19.848 1.00 52.45 H new ATOM 0 HH12 ARG A 75 -5.932 -0.527 -19.233 1.00 52.45 H new ATOM 0 HH21 ARG A 75 -7.460 0.825 -16.390 1.00 61.14 H new ATOM 0 HH22 ARG A 75 -7.087 -0.637 -17.308 1.00 61.14 H new ATOM 1118 N ALA A 76 -9.888 6.864 -18.517 1.00 41.31 N ATOM 1119 CA ALA A 76 -11.083 7.580 -18.012 1.00 74.33 C ATOM 1120 C ALA A 76 -12.347 7.060 -18.694 1.00 23.42 C ATOM 1121 O ALA A 76 -13.349 6.762 -18.046 1.00 23.14 O ATOM 1122 CB ALA A 76 -10.951 9.102 -18.235 1.00 32.14 C ATOM 0 H ALA A 76 -9.219 7.455 -19.010 1.00 41.31 H new ATOM 0 HA ALA A 76 -11.157 7.394 -16.941 1.00 74.33 H new ATOM 0 HB1 ALA A 76 -11.841 9.604 -17.856 1.00 32.14 H new ATOM 0 HB2 ALA A 76 -10.073 9.472 -17.707 1.00 32.14 H new ATOM 0 HB3 ALA A 76 -10.846 9.306 -19.301 1.00 32.14 H new ATOM 1128 N LEU A 77 -12.292 6.867 -20.003 1.00 22.14 N ATOM 1129 CA LEU A 77 -13.434 6.299 -20.717 1.00 41.25 C ATOM 1130 C LEU A 77 -13.550 4.818 -20.465 1.00 31.11 C ATOM 1131 O LEU A 77 -14.643 4.295 -20.433 1.00 74.54 O ATOM 1132 CB LEU A 77 -13.359 6.632 -22.223 1.00 3.23 C ATOM 1133 CG LEU A 77 -12.121 6.100 -22.991 1.00 11.11 C ATOM 1134 CD1 LEU A 77 -12.182 4.711 -23.545 1.00 3.43 C ATOM 1135 CD2 LEU A 77 -11.820 7.021 -24.138 1.00 2.14 C ATOM 0 H LEU A 77 -11.486 7.089 -20.587 1.00 22.14 H new ATOM 0 HA LEU A 77 -14.345 6.757 -20.331 1.00 41.25 H new ATOM 0 HB2 LEU A 77 -14.254 6.237 -22.704 1.00 3.23 H new ATOM 0 HB3 LEU A 77 -13.389 7.716 -22.334 1.00 3.23 H new ATOM 0 HG LEU A 77 -11.351 6.066 -22.220 1.00 11.11 H new ATOM 0 HD11 LEU A 77 -11.246 4.481 -24.054 1.00 3.43 H new ATOM 0 HD12 LEU A 77 -12.337 4.002 -22.732 1.00 3.43 H new ATOM 0 HD13 LEU A 77 -13.007 4.638 -24.253 1.00 3.43 H new ATOM 0 HD21 LEU A 77 -10.950 6.652 -24.682 1.00 2.14 H new ATOM 0 HD22 LEU A 77 -12.678 7.059 -24.809 1.00 2.14 H new ATOM 0 HD23 LEU A 77 -11.612 8.021 -23.757 1.00 2.14 H new ATOM 1147 N ALA A 78 -12.424 4.145 -20.282 1.00 51.22 N ATOM 1148 CA ALA A 78 -12.454 2.713 -20.017 1.00 5.01 C ATOM 1149 C ALA A 78 -13.204 2.402 -18.717 1.00 3.32 C ATOM 1150 O ALA A 78 -13.847 1.367 -18.594 1.00 2.04 O ATOM 1151 CB ALA A 78 -11.038 2.126 -19.947 1.00 53.12 C ATOM 0 H ALA A 78 -11.492 4.558 -20.311 1.00 51.22 H new ATOM 0 HA ALA A 78 -12.984 2.249 -20.848 1.00 5.01 H new ATOM 0 HB1 ALA A 78 -11.097 1.056 -19.748 1.00 53.12 H new ATOM 0 HB2 ALA A 78 -10.528 2.291 -20.896 1.00 53.12 H new ATOM 0 HB3 ALA A 78 -10.481 2.614 -19.147 1.00 53.12 H new ATOM 1157 N ALA A 79 -13.157 3.328 -17.768 1.00 40.23 N ATOM 1158 CA ALA A 79 -13.862 3.167 -16.500 1.00 72.43 C ATOM 1159 C ALA A 79 -15.377 3.036 -16.719 1.00 60.44 C ATOM 1160 O ALA A 79 -16.061 2.405 -15.933 1.00 20.11 O ATOM 1161 CB ALA A 79 -13.560 4.360 -15.579 1.00 54.24 C ATOM 0 H ALA A 79 -12.637 4.201 -17.852 1.00 40.23 H new ATOM 0 HA ALA A 79 -13.511 2.249 -16.028 1.00 72.43 H new ATOM 0 HB1 ALA A 79 -14.089 4.234 -14.635 1.00 54.24 H new ATOM 0 HB2 ALA A 79 -12.488 4.412 -15.390 1.00 54.24 H new ATOM 0 HB3 ALA A 79 -13.889 5.282 -16.058 1.00 54.24 H new ATOM 1167 N LYS A 80 -15.887 3.609 -17.803 1.00 32.14 N ATOM 1168 CA LYS A 80 -17.324 3.558 -18.102 1.00 52.54 C ATOM 1169 C LYS A 80 -17.811 2.154 -18.471 1.00 23.13 C ATOM 1170 O LYS A 80 -19.006 1.901 -18.500 1.00 14.32 O ATOM 1171 CB LYS A 80 -17.653 4.561 -19.216 1.00 24.02 C ATOM 1172 CG LYS A 80 -19.105 5.021 -19.216 1.00 11.31 C ATOM 1173 CD LYS A 80 -19.360 6.066 -20.294 1.00 62.33 C ATOM 1174 CE LYS A 80 -20.828 6.490 -20.304 1.00 64.04 C ATOM 1175 NZ LYS A 80 -21.205 7.233 -19.053 1.00 25.50 N ATOM 0 H LYS A 80 -15.332 4.115 -18.493 1.00 32.14 H new ATOM 0 HA LYS A 80 -17.856 3.831 -17.191 1.00 52.54 H new ATOM 0 HB2 LYS A 80 -17.005 5.431 -19.112 1.00 24.02 H new ATOM 0 HB3 LYS A 80 -17.425 4.107 -20.180 1.00 24.02 H new ATOM 0 HG2 LYS A 80 -19.759 4.164 -19.377 1.00 11.31 H new ATOM 0 HG3 LYS A 80 -19.356 5.435 -18.240 1.00 11.31 H new ATOM 0 HD2 LYS A 80 -18.727 6.936 -20.120 1.00 62.33 H new ATOM 0 HD3 LYS A 80 -19.087 5.663 -21.269 1.00 62.33 H new ATOM 0 HE2 LYS A 80 -21.018 7.121 -21.172 1.00 64.04 H new ATOM 0 HE3 LYS A 80 -21.460 5.608 -20.407 1.00 64.04 H new ATOM 0 HZ1 LYS A 80 -22.138 6.911 -18.726 1.00 25.50 H new ATOM 0 HZ2 LYS A 80 -20.497 7.049 -18.314 1.00 25.50 H new ATOM 0 HZ3 LYS A 80 -21.241 8.253 -19.252 1.00 25.50 H new ATOM 1189 N SER A 81 -16.887 1.236 -18.725 1.00 10.43 N ATOM 1190 CA SER A 81 -17.256 -0.150 -19.031 1.00 34.42 C ATOM 1191 C SER A 81 -17.450 -0.973 -17.753 1.00 11.54 C ATOM 1192 O SER A 81 -17.917 -2.108 -17.803 1.00 54.50 O ATOM 1193 CB SER A 81 -16.185 -0.815 -19.903 1.00 34.21 C ATOM 1194 OG SER A 81 -14.967 -0.985 -19.195 1.00 15.40 O ATOM 0 H SER A 81 -15.883 1.419 -18.727 1.00 10.43 H new ATOM 0 HA SER A 81 -18.201 -0.120 -19.574 1.00 34.42 H new ATOM 0 HB2 SER A 81 -16.545 -1.785 -20.247 1.00 34.21 H new ATOM 0 HB3 SER A 81 -16.009 -0.208 -20.791 1.00 34.21 H new ATOM 0 HG SER A 81 -14.511 -0.121 -19.117 1.00 15.40 H new ATOM 1200 N ALA A 82 -17.075 -0.403 -16.613 1.00 34.40 N ATOM 1201 CA ALA A 82 -17.204 -1.084 -15.331 1.00 15.34 C ATOM 1202 C ALA A 82 -18.505 -0.651 -14.648 1.00 4.44 C ATOM 1203 O ALA A 82 -19.102 0.359 -15.007 1.00 34.41 O ATOM 1204 CB ALA A 82 -15.992 -0.753 -14.442 1.00 62.33 C ATOM 0 H ALA A 82 -16.677 0.534 -16.551 1.00 34.40 H new ATOM 0 HA ALA A 82 -17.234 -2.162 -15.492 1.00 15.34 H new ATOM 0 HB1 ALA A 82 -16.093 -1.264 -13.485 1.00 62.33 H new ATOM 0 HB2 ALA A 82 -15.078 -1.083 -14.935 1.00 62.33 H new ATOM 0 HB3 ALA A 82 -15.946 0.323 -14.276 1.00 62.33 H new ATOM 1210 N SER A 83 -18.901 -1.391 -13.618 1.00 44.43 N ATOM 1211 CA SER A 83 -20.116 -1.093 -12.853 1.00 43.42 C ATOM 1212 C SER A 83 -19.983 0.153 -11.970 1.00 61.01 C ATOM 1213 O SER A 83 -20.925 0.545 -11.289 1.00 63.20 O ATOM 1214 CB SER A 83 -20.458 -2.292 -11.975 1.00 52.32 C ATOM 1215 OG SER A 83 -20.215 -3.499 -12.678 1.00 34.42 O ATOM 0 H SER A 83 -18.394 -2.212 -13.287 1.00 44.43 H new ATOM 0 HA SER A 83 -20.907 -0.891 -13.575 1.00 43.42 H new ATOM 0 HB2 SER A 83 -19.860 -2.267 -11.064 1.00 52.32 H new ATOM 0 HB3 SER A 83 -21.504 -2.243 -11.672 1.00 52.32 H new ATOM 0 HG SER A 83 -20.436 -4.262 -12.104 1.00 34.42 H new ATOM 1221 N TRP A 84 -18.811 0.766 -11.993 1.00 41.02 N ATOM 1222 CA TRP A 84 -18.537 1.994 -11.259 1.00 31.51 C ATOM 1223 C TRP A 84 -17.705 2.843 -12.208 1.00 42.20 C ATOM 1224 O TRP A 84 -16.771 2.342 -12.824 1.00 73.30 O ATOM 1225 CB TRP A 84 -17.769 1.688 -9.967 1.00 3.05 C ATOM 1226 CG TRP A 84 -16.728 0.603 -10.135 1.00 31.00 C ATOM 1227 CD1 TRP A 84 -15.457 0.741 -10.595 1.00 3.54 C ATOM 1228 CD2 TRP A 84 -16.878 -0.805 -9.850 1.00 5.31 C ATOM 1229 NE1 TRP A 84 -14.799 -0.452 -10.628 1.00 1.20 N ATOM 1230 CE2 TRP A 84 -15.640 -1.434 -10.184 1.00 41.44 C ATOM 1231 CE3 TRP A 84 -17.929 -1.598 -9.350 1.00 24.31 C ATOM 1232 CZ2 TRP A 84 -15.436 -2.821 -10.043 1.00 35.25 C ATOM 1233 CZ3 TRP A 84 -17.726 -2.997 -9.203 1.00 11.21 C ATOM 1234 CH2 TRP A 84 -16.479 -3.590 -9.556 1.00 22.41 C ATOM 0 H TRP A 84 -18.013 0.422 -12.527 1.00 41.02 H new ATOM 0 HA TRP A 84 -19.449 2.508 -10.956 1.00 31.51 H new ATOM 0 HB2 TRP A 84 -17.282 2.598 -9.617 1.00 3.05 H new ATOM 0 HB3 TRP A 84 -18.476 1.387 -9.194 1.00 3.05 H new ATOM 0 HD1 TRP A 84 -15.021 1.682 -10.898 1.00 3.54 H new ATOM 0 HE1 TRP A 84 -13.836 -0.590 -10.934 1.00 1.20 H new ATOM 0 HE3 TRP A 84 -18.875 -1.150 -9.082 1.00 24.31 H new ATOM 0 HZ2 TRP A 84 -14.491 -3.272 -10.308 1.00 35.25 H new ATOM 0 HZ3 TRP A 84 -18.524 -3.616 -8.820 1.00 11.21 H new ATOM 0 HH2 TRP A 84 -16.346 -4.656 -9.442 1.00 22.41 H new ATOM 1245 N SER A 85 -18.073 4.104 -12.382 1.00 42.02 N ATOM 1246 CA SER A 85 -17.418 4.952 -13.372 1.00 41.14 C ATOM 1247 C SER A 85 -17.489 6.420 -12.986 1.00 2.12 C ATOM 1248 O SER A 85 -18.126 6.785 -11.998 1.00 33.22 O ATOM 1249 CB SER A 85 -18.093 4.752 -14.728 1.00 33.23 C ATOM 1250 OG SER A 85 -19.462 5.108 -14.677 1.00 25.13 O ATOM 0 H SER A 85 -18.817 4.562 -11.855 1.00 42.02 H new ATOM 0 HA SER A 85 -16.367 4.667 -13.423 1.00 41.14 H new ATOM 0 HB2 SER A 85 -17.586 5.354 -15.482 1.00 33.23 H new ATOM 0 HB3 SER A 85 -17.997 3.710 -15.035 1.00 33.23 H new ATOM 0 HG SER A 85 -19.868 4.972 -15.558 1.00 25.13 H new ATOM 1256 N HIS A 86 -16.821 7.261 -13.761 1.00 44.54 N ATOM 1257 CA HIS A 86 -16.830 8.700 -13.521 1.00 30.11 C ATOM 1258 C HIS A 86 -18.224 9.252 -13.843 1.00 21.04 C ATOM 1259 O HIS A 86 -18.885 8.773 -14.771 1.00 3.44 O ATOM 1260 CB HIS A 86 -15.777 9.376 -14.402 1.00 75.33 C ATOM 1261 CG HIS A 86 -14.393 8.847 -14.190 1.00 43.22 C ATOM 1262 ND1 HIS A 86 -13.694 8.952 -13.012 1.00 32.51 N ATOM 1263 CD2 HIS A 86 -13.559 8.177 -15.036 1.00 15.21 C ATOM 1264 CE1 HIS A 86 -12.512 8.365 -13.177 1.00 32.21 C ATOM 1265 NE2 HIS A 86 -12.378 7.873 -14.391 1.00 63.14 N ATOM 0 H HIS A 86 -16.263 6.972 -14.565 1.00 44.54 H new ATOM 0 HA HIS A 86 -16.594 8.903 -12.476 1.00 30.11 H new ATOM 0 HB2 HIS A 86 -16.051 9.244 -15.449 1.00 75.33 H new ATOM 0 HB3 HIS A 86 -15.782 10.448 -14.203 1.00 75.33 H new ATOM 0 HD2 HIS A 86 -13.789 7.922 -16.060 1.00 15.21 H new ATOM 0 HE1 HIS A 86 -11.755 8.300 -12.409 1.00 32.21 H new ATOM 0 HE2 HIS A 86 -11.574 7.374 -14.772 1.00 63.14 H new ATOM 1273 N PRO A 87 -18.695 10.261 -13.086 1.00 13.43 N ATOM 1274 CA PRO A 87 -20.065 10.719 -13.353 1.00 24.54 C ATOM 1275 C PRO A 87 -20.243 11.462 -14.677 1.00 24.44 C ATOM 1276 O PRO A 87 -19.328 12.130 -15.184 1.00 45.41 O ATOM 1277 CB PRO A 87 -20.353 11.640 -12.163 1.00 43.24 C ATOM 1278 CG PRO A 87 -19.019 12.175 -11.790 1.00 42.10 C ATOM 1279 CD PRO A 87 -18.092 10.998 -11.958 1.00 74.11 C ATOM 0 HA PRO A 87 -20.748 9.876 -13.453 1.00 24.54 H new ATOM 0 HB2 PRO A 87 -21.042 12.440 -12.435 1.00 43.24 H new ATOM 0 HB3 PRO A 87 -20.809 11.094 -11.337 1.00 43.24 H new ATOM 0 HG2 PRO A 87 -18.729 13.006 -12.433 1.00 42.10 H new ATOM 0 HG3 PRO A 87 -19.010 12.546 -10.765 1.00 42.10 H new ATOM 0 HD2 PRO A 87 -17.073 11.315 -12.181 1.00 74.11 H new ATOM 0 HD3 PRO A 87 -18.046 10.388 -11.056 1.00 74.11 H new ATOM 1287 N GLN A 88 -21.447 11.365 -15.214 1.00 75.42 N ATOM 1288 CA GLN A 88 -21.832 12.022 -16.452 1.00 3.02 C ATOM 1289 C GLN A 88 -23.279 12.412 -16.236 1.00 32.03 C ATOM 1290 O GLN A 88 -23.965 11.751 -15.474 1.00 54.35 O ATOM 1291 CB GLN A 88 -21.683 11.053 -17.631 1.00 55.10 C ATOM 1292 CG GLN A 88 -21.980 11.669 -18.997 1.00 1.12 C ATOM 1293 CD GLN A 88 -21.733 10.700 -20.129 1.00 44.23 C ATOM 1294 OE1 GLN A 88 -20.760 9.957 -20.121 1.00 61.00 O ATOM 1295 NE2 GLN A 88 -22.598 10.704 -21.104 1.00 15.20 N ATOM 0 H GLN A 88 -22.198 10.817 -14.794 1.00 75.42 H new ATOM 0 HA GLN A 88 -21.211 12.886 -16.688 1.00 3.02 H new ATOM 0 HB2 GLN A 88 -20.666 10.661 -17.637 1.00 55.10 H new ATOM 0 HB3 GLN A 88 -22.351 10.206 -17.475 1.00 55.10 H new ATOM 0 HG2 GLN A 88 -23.018 12.001 -19.026 1.00 1.12 H new ATOM 0 HG3 GLN A 88 -21.359 12.554 -19.137 1.00 1.12 H new ATOM 0 HE21 GLN A 88 -23.396 11.338 -21.075 1.00 15.20 H new ATOM 0 HE22 GLN A 88 -22.476 10.073 -21.896 1.00 15.20 H new ATOM 1304 N PHE A 89 -23.706 13.509 -16.844 1.00 13.13 N ATOM 1305 CA PHE A 89 -25.084 13.963 -16.732 1.00 51.34 C ATOM 1306 C PHE A 89 -25.769 13.853 -18.087 1.00 73.12 C ATOM 1307 O PHE A 89 -25.112 13.944 -19.135 1.00 74.13 O ATOM 1308 CB PHE A 89 -25.117 15.396 -16.204 1.00 71.44 C ATOM 1309 CG PHE A 89 -24.344 15.575 -14.923 1.00 24.10 C ATOM 1310 CD1 PHE A 89 -24.665 14.812 -13.782 1.00 72.24 C ATOM 1311 CD2 PHE A 89 -23.282 16.497 -14.849 1.00 31.41 C ATOM 1312 CE1 PHE A 89 -23.927 14.956 -12.580 1.00 13.43 C ATOM 1313 CE2 PHE A 89 -22.541 16.655 -13.646 1.00 52.15 C ATOM 1314 CZ PHE A 89 -22.865 15.880 -12.513 1.00 2.02 C ATOM 0 H PHE A 89 -23.114 14.104 -17.423 1.00 13.13 H new ATOM 0 HA PHE A 89 -25.625 13.333 -16.025 1.00 51.34 H new ATOM 0 HB2 PHE A 89 -24.711 16.065 -16.962 1.00 71.44 H new ATOM 0 HB3 PHE A 89 -26.153 15.692 -16.040 1.00 71.44 H new ATOM 0 HD1 PHE A 89 -25.484 14.109 -13.824 1.00 72.24 H new ATOM 0 HD2 PHE A 89 -23.028 17.090 -15.715 1.00 31.41 H new ATOM 0 HE1 PHE A 89 -24.178 14.358 -11.716 1.00 13.43 H new ATOM 0 HE2 PHE A 89 -21.731 17.368 -13.600 1.00 52.15 H new ATOM 0 HZ PHE A 89 -22.302 15.994 -11.598 1.00 2.02 H new ATOM 1324 N GLU A 90 -27.073 13.648 -18.047 1.00 53.15 N ATOM 1325 CA GLU A 90 -27.908 13.486 -19.237 1.00 2.23 C ATOM 1326 C GLU A 90 -28.343 14.867 -19.763 1.00 72.34 C ATOM 1327 O GLU A 90 -27.695 15.880 -19.475 1.00 73.01 O ATOM 1328 CB GLU A 90 -29.123 12.610 -18.867 1.00 31.11 C ATOM 1329 CG GLU A 90 -28.776 11.125 -18.648 1.00 62.02 C ATOM 1330 CD GLU A 90 -27.778 10.897 -17.514 1.00 2.30 C ATOM 1331 OE1 GLU A 90 -28.017 11.388 -16.387 1.00 10.52 O ATOM 1332 OE2 GLU A 90 -26.708 10.301 -17.780 1.00 45.34 O ATOM 0 H GLU A 90 -27.597 13.587 -17.174 1.00 53.15 H new ATOM 0 HA GLU A 90 -27.350 12.994 -20.034 1.00 2.23 H new ATOM 0 HB2 GLU A 90 -29.580 13.004 -17.959 1.00 31.11 H new ATOM 0 HB3 GLU A 90 -29.868 12.686 -19.659 1.00 31.11 H new ATOM 0 HG2 GLU A 90 -29.691 10.573 -18.433 1.00 62.02 H new ATOM 0 HG3 GLU A 90 -28.366 10.715 -19.571 1.00 62.02 H new ATOM 1339 N LYS A 91 -29.414 14.898 -20.548 1.00 42.45 N ATOM 1340 CA LYS A 91 -29.966 16.127 -21.117 1.00 74.34 C ATOM 1341 C LYS A 91 -31.444 16.134 -20.810 1.00 74.02 C ATOM 1342 O LYS A 91 -32.073 17.202 -20.920 1.00 34.34 O ATOM 1343 CB LYS A 91 -29.790 16.154 -22.639 1.00 64.14 C ATOM 1344 CG LYS A 91 -28.350 16.162 -23.121 1.00 11.24 C ATOM 1345 CD LYS A 91 -27.612 17.390 -22.608 1.00 22.23 C ATOM 1346 CE LYS A 91 -26.272 17.558 -23.294 1.00 3.30 C ATOM 1347 NZ LYS A 91 -26.470 17.927 -24.738 1.00 74.21 N ATOM 0 H LYS A 91 -29.932 14.060 -20.812 1.00 42.45 H new ATOM 0 HA LYS A 91 -29.452 16.990 -20.694 1.00 74.34 H new ATOM 0 HB2 LYS A 91 -30.294 15.285 -23.063 1.00 64.14 H new ATOM 0 HB3 LYS A 91 -30.293 17.038 -23.032 1.00 64.14 H new ATOM 0 HG2 LYS A 91 -27.843 15.259 -22.780 1.00 11.24 H new ATOM 0 HG3 LYS A 91 -28.327 16.148 -24.211 1.00 11.24 H new ATOM 0 HD2 LYS A 91 -28.221 18.278 -22.775 1.00 22.23 H new ATOM 0 HD3 LYS A 91 -27.463 17.303 -21.532 1.00 22.23 H new ATOM 0 HE2 LYS A 91 -25.692 18.331 -22.790 1.00 3.30 H new ATOM 0 HE3 LYS A 91 -25.700 16.633 -23.223 1.00 3.30 H new ATOM 0 HZ1 LYS A 91 -25.607 18.378 -25.103 1.00 74.21 H new ATOM 0 HZ2 LYS A 91 -26.673 17.070 -25.291 1.00 74.21 H new ATOM 0 HZ3 LYS A 91 -27.268 18.589 -24.821 1.00 74.21 H new TER 1361 LYS A 91