USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 1 ALA N :NH3+ -117:sc= 0.0997 (180deg=0) USER MOD Set 1.2: A 68 GLN : amide:sc= -3.55! K(o=-3.5!,f=-0.97) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= -0.0305 (180deg=-0.247) USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.0356 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -60:sc= 0.116 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= -4.79! (180deg=-7.31!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -54:sc= 0.0207 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -179:sc= -2.16 (180deg=-2.18!) USER MOD Single : A 47 ASN : amide:sc= -0.725 K(o=-0.72,f=-0.14) USER MOD Single : A 55 ASN : amide:sc= 0.215 X(o=0.22,f=-0.0064) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0433 K(o=-0.043,f=-0.95) USER MOD Single : A 65 SER OG : rot -69:sc= 0.488 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 69 GLN : amide:sc= -0.0556 K(o=-0.056,f=-1.9!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0896) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.327 -3.077 8.983 1.00 0.00 N ATOM 2 CA ALA A 1 -6.307 -4.081 7.927 1.00 71.14 C ATOM 3 C ALA A 1 -5.994 -5.464 8.490 1.00 31.21 C ATOM 4 O ALA A 1 -5.744 -5.617 9.686 1.00 42.23 O ATOM 5 CB ALA A 1 -5.294 -3.703 6.857 1.00 70.12 C ATOM 0 H1 ALA A 1 -7.280 -2.668 9.055 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.071 -3.520 9.888 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.643 -2.325 8.760 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.299 -4.117 7.476 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.290 -4.462 6.075 1.00 70.12 H new ATOM 0 HB2 ALA A 1 -5.563 -2.739 6.426 1.00 70.12 H new ATOM 0 HB3 ALA A 1 -4.302 -3.637 7.303 1.00 70.12 H new ATOM 11 N LYS A 2 -6.011 -6.469 7.621 1.00 62.10 N ATOM 12 CA LYS A 2 -5.728 -7.839 8.031 1.00 51.24 C ATOM 13 C LYS A 2 -4.388 -8.309 7.471 1.00 75.40 C ATOM 14 O LYS A 2 -3.883 -7.755 6.495 1.00 33.14 O ATOM 15 CB LYS A 2 -6.845 -8.774 7.561 1.00 62.24 C ATOM 16 CG LYS A 2 -7.268 -8.542 6.121 1.00 43.14 C ATOM 17 CD LYS A 2 -8.555 -7.739 6.040 1.00 13.23 C ATOM 18 CE LYS A 2 -9.779 -8.633 6.168 1.00 11.41 C ATOM 19 NZ LYS A 2 -10.298 -9.054 4.838 1.00 55.15 N ATOM 0 H LYS A 2 -6.218 -6.360 6.628 1.00 62.10 H new ATOM 0 HA LYS A 2 -5.676 -7.863 9.119 1.00 51.24 H new ATOM 0 HB2 LYS A 2 -6.513 -9.806 7.671 1.00 62.24 H new ATOM 0 HB3 LYS A 2 -7.711 -8.646 8.210 1.00 62.24 H new ATOM 0 HG2 LYS A 2 -6.476 -8.016 5.588 1.00 43.14 H new ATOM 0 HG3 LYS A 2 -7.405 -9.501 5.622 1.00 43.14 H new ATOM 0 HD2 LYS A 2 -8.567 -6.988 6.830 1.00 13.23 H new ATOM 0 HD3 LYS A 2 -8.592 -7.204 5.091 1.00 13.23 H new ATOM 0 HE2 LYS A 2 -9.525 -9.516 6.755 1.00 11.41 H new ATOM 0 HE3 LYS A 2 -10.561 -8.103 6.712 1.00 11.41 H new ATOM 0 HZ1 LYS A 2 -11.132 -9.662 4.967 1.00 55.15 H new ATOM 0 HZ2 LYS A 2 -10.565 -8.213 4.287 1.00 55.15 H new ATOM 0 HZ3 LYS A 2 -9.561 -9.582 4.329 1.00 55.15 H new ATOM 33 N LYS A 3 -3.820 -9.336 8.095 1.00 51.41 N ATOM 34 CA LYS A 3 -2.541 -9.882 7.658 1.00 71.51 C ATOM 35 C LYS A 3 -2.587 -10.262 6.182 1.00 2.41 C ATOM 36 O LYS A 3 -1.574 -10.198 5.484 1.00 55.03 O ATOM 37 CB LYS A 3 -2.173 -11.107 8.499 1.00 5.33 C ATOM 38 CG LYS A 3 -3.277 -12.146 8.576 1.00 44.34 C ATOM 39 CD LYS A 3 -3.690 -12.418 10.012 1.00 31.13 C ATOM 40 CE LYS A 3 -2.894 -13.566 10.613 1.00 73.11 C ATOM 41 NZ LYS A 3 -3.273 -14.877 10.015 1.00 14.32 N ATOM 0 H LYS A 3 -4.225 -9.806 8.904 1.00 51.41 H new ATOM 0 HA LYS A 3 -1.781 -9.113 7.793 1.00 71.51 H new ATOM 0 HB2 LYS A 3 -1.279 -11.569 8.080 1.00 5.33 H new ATOM 0 HB3 LYS A 3 -1.921 -10.782 9.508 1.00 5.33 H new ATOM 0 HG2 LYS A 3 -4.141 -11.802 8.007 1.00 44.34 H new ATOM 0 HG3 LYS A 3 -2.938 -13.073 8.113 1.00 44.34 H new ATOM 0 HD2 LYS A 3 -3.543 -11.519 10.611 1.00 31.13 H new ATOM 0 HD3 LYS A 3 -4.754 -12.654 10.047 1.00 31.13 H new ATOM 0 HE2 LYS A 3 -1.830 -13.390 10.458 1.00 73.11 H new ATOM 0 HE3 LYS A 3 -3.058 -13.597 11.690 1.00 73.11 H new ATOM 0 HZ1 LYS A 3 -2.983 -15.646 10.652 1.00 14.32 H new ATOM 0 HZ2 LYS A 3 -4.303 -14.911 9.878 1.00 14.32 H new ATOM 0 HZ3 LYS A 3 -2.798 -14.990 9.097 1.00 14.32 H new ATOM 55 N GLU A 4 -3.766 -10.655 5.712 1.00 75.33 N ATOM 56 CA GLU A 4 -3.942 -11.044 4.318 1.00 34.14 C ATOM 57 C GLU A 4 -3.789 -9.839 3.394 1.00 20.32 C ATOM 58 O GLU A 4 -2.992 -9.859 2.456 1.00 42.54 O ATOM 59 CB GLU A 4 -5.317 -11.685 4.114 1.00 64.42 C ATOM 60 CG GLU A 4 -5.379 -13.142 4.545 1.00 1.40 C ATOM 61 CD GLU A 4 -6.712 -13.788 4.224 1.00 42.02 C ATOM 62 OE1 GLU A 4 -6.889 -14.243 3.075 1.00 40.55 O ATOM 63 OE2 GLU A 4 -7.578 -13.840 5.122 1.00 12.23 O ATOM 0 H GLU A 4 -4.614 -10.713 6.276 1.00 75.33 H new ATOM 0 HA GLU A 4 -3.169 -11.772 4.070 1.00 34.14 H new ATOM 0 HB2 GLU A 4 -6.060 -11.117 4.674 1.00 64.42 H new ATOM 0 HB3 GLU A 4 -5.589 -11.614 3.061 1.00 64.42 H new ATOM 0 HG2 GLU A 4 -4.582 -13.698 4.051 1.00 1.40 H new ATOM 0 HG3 GLU A 4 -5.196 -13.208 5.618 1.00 1.40 H new ATOM 70 N THR A 5 -4.559 -8.790 3.666 1.00 21.04 N ATOM 71 CA THR A 5 -4.511 -7.577 2.860 1.00 14.41 C ATOM 72 C THR A 5 -3.120 -6.954 2.886 1.00 70.21 C ATOM 73 O THR A 5 -2.546 -6.650 1.840 1.00 52.21 O ATOM 74 CB THR A 5 -5.536 -6.537 3.349 1.00 3.20 C ATOM 75 OG1 THR A 5 -6.860 -7.078 3.267 1.00 1.34 O ATOM 76 CG2 THR A 5 -5.452 -5.263 2.520 1.00 20.42 C ATOM 0 H THR A 5 -5.224 -8.756 4.439 1.00 21.04 H new ATOM 0 HA THR A 5 -4.757 -7.867 1.838 1.00 14.41 H new ATOM 0 HB THR A 5 -5.307 -6.293 4.386 1.00 3.20 H new ATOM 0 HG1 THR A 5 -7.513 -6.347 3.267 1.00 1.34 H new ATOM 0 HG21 THR A 5 -6.185 -4.543 2.884 1.00 20.42 H new ATOM 0 HG22 THR A 5 -4.452 -4.838 2.607 1.00 20.42 H new ATOM 0 HG23 THR A 5 -5.658 -5.495 1.475 1.00 20.42 H new ATOM 84 N ILE A 6 -2.583 -6.768 4.087 1.00 24.23 N ATOM 85 CA ILE A 6 -1.257 -6.182 4.248 1.00 35.02 C ATOM 86 C ILE A 6 -0.221 -6.929 3.415 1.00 55.02 C ATOM 87 O ILE A 6 0.706 -6.328 2.872 1.00 15.10 O ATOM 88 CB ILE A 6 -0.815 -6.188 5.723 1.00 71.23 C ATOM 89 CG1 ILE A 6 -1.813 -5.408 6.581 1.00 51.21 C ATOM 90 CG2 ILE A 6 0.582 -5.601 5.859 1.00 31.43 C ATOM 91 CD1 ILE A 6 -1.747 -5.756 8.051 1.00 35.22 C ATOM 0 H ILE A 6 -3.045 -7.014 4.962 1.00 24.23 H new ATOM 0 HA ILE A 6 -1.323 -5.151 3.901 1.00 35.02 H new ATOM 0 HB ILE A 6 -0.791 -7.219 6.076 1.00 71.23 H new ATOM 0 HG12 ILE A 6 -1.628 -4.341 6.460 1.00 51.21 H new ATOM 0 HG13 ILE A 6 -2.822 -5.600 6.215 1.00 51.21 H new ATOM 0 HG21 ILE A 6 0.881 -5.612 6.907 1.00 31.43 H new ATOM 0 HG22 ILE A 6 1.285 -6.195 5.275 1.00 31.43 H new ATOM 0 HG23 ILE A 6 0.583 -4.575 5.492 1.00 31.43 H new ATOM 0 HD11 ILE A 6 -2.482 -5.165 8.598 1.00 35.22 H new ATOM 0 HD12 ILE A 6 -1.962 -6.816 8.184 1.00 35.22 H new ATOM 0 HD13 ILE A 6 -0.749 -5.538 8.432 1.00 35.22 H new ATOM 103 N ASP A 7 -0.387 -8.244 3.316 1.00 25.42 N ATOM 104 CA ASP A 7 0.533 -9.074 2.547 1.00 62.21 C ATOM 105 C ASP A 7 0.458 -8.735 1.062 1.00 53.04 C ATOM 106 O ASP A 7 1.478 -8.663 0.378 1.00 45.43 O ATOM 107 CB ASP A 7 0.218 -10.556 2.762 1.00 41.41 C ATOM 108 CG ASP A 7 1.230 -11.465 2.094 1.00 43.31 C ATOM 109 OD1 ASP A 7 2.444 -11.261 2.308 1.00 40.04 O ATOM 110 OD2 ASP A 7 0.808 -12.382 1.358 1.00 3.14 O ATOM 0 H ASP A 7 -1.149 -8.757 3.758 1.00 25.42 H new ATOM 0 HA ASP A 7 1.545 -8.872 2.897 1.00 62.21 H new ATOM 0 HB2 ASP A 7 0.193 -10.768 3.831 1.00 41.41 H new ATOM 0 HB3 ASP A 7 -0.776 -10.774 2.371 1.00 41.41 H new ATOM 115 N LYS A 8 -0.759 -8.529 0.568 1.00 75.22 N ATOM 116 CA LYS A 8 -0.970 -8.198 -0.836 1.00 10.31 C ATOM 117 C LYS A 8 -0.303 -6.872 -1.188 1.00 43.43 C ATOM 118 O LYS A 8 0.497 -6.796 -2.121 1.00 12.51 O ATOM 119 CB LYS A 8 -2.467 -8.126 -1.146 1.00 1.35 C ATOM 120 CG LYS A 8 -3.260 -9.291 -0.581 1.00 52.43 C ATOM 121 CD LYS A 8 -4.427 -9.659 -1.483 1.00 42.22 C ATOM 122 CE LYS A 8 -3.949 -10.268 -2.792 1.00 44.33 C ATOM 123 NZ LYS A 8 -5.025 -11.044 -3.469 1.00 43.03 N ATOM 0 H LYS A 8 -1.615 -8.586 1.120 1.00 75.22 H new ATOM 0 HA LYS A 8 -0.518 -8.984 -1.440 1.00 10.31 H new ATOM 0 HB2 LYS A 8 -2.868 -7.195 -0.745 1.00 1.35 H new ATOM 0 HB3 LYS A 8 -2.605 -8.093 -2.227 1.00 1.35 H new ATOM 0 HG2 LYS A 8 -2.605 -10.154 -0.461 1.00 52.43 H new ATOM 0 HG3 LYS A 8 -3.632 -9.033 0.410 1.00 52.43 H new ATOM 0 HD2 LYS A 8 -5.078 -10.366 -0.968 1.00 42.22 H new ATOM 0 HD3 LYS A 8 -5.023 -8.770 -1.690 1.00 42.22 H new ATOM 0 HE2 LYS A 8 -3.600 -9.476 -3.455 1.00 44.33 H new ATOM 0 HE3 LYS A 8 -3.097 -10.920 -2.599 1.00 44.33 H new ATOM 0 HZ1 LYS A 8 -4.659 -11.443 -4.357 1.00 43.03 H new ATOM 0 HZ2 LYS A 8 -5.340 -11.816 -2.847 1.00 43.03 H new ATOM 0 HZ3 LYS A 8 -5.828 -10.416 -3.676 1.00 43.03 H new ATOM 137 N VAL A 9 -0.636 -5.829 -0.434 1.00 5.42 N ATOM 138 CA VAL A 9 -0.067 -4.506 -0.666 1.00 31.43 C ATOM 139 C VAL A 9 1.457 -4.554 -0.654 1.00 1.42 C ATOM 140 O VAL A 9 2.108 -4.139 -1.613 1.00 60.03 O ATOM 141 CB VAL A 9 -0.545 -3.497 0.395 1.00 41.42 C ATOM 142 CG1 VAL A 9 -0.004 -2.107 0.092 1.00 55.02 C ATOM 143 CG2 VAL A 9 -2.064 -3.481 0.468 1.00 73.12 C ATOM 0 H VAL A 9 -1.296 -5.874 0.342 1.00 5.42 H new ATOM 0 HA VAL A 9 -0.410 -4.181 -1.648 1.00 31.43 H new ATOM 0 HB VAL A 9 -0.160 -3.808 1.366 1.00 41.42 H new ATOM 0 HG11 VAL A 9 -0.352 -1.407 0.852 1.00 55.02 H new ATOM 0 HG12 VAL A 9 1.086 -2.132 0.094 1.00 55.02 H new ATOM 0 HG13 VAL A 9 -0.358 -1.784 -0.887 1.00 55.02 H new ATOM 0 HG21 VAL A 9 -2.384 -2.763 1.223 1.00 73.12 H new ATOM 0 HG22 VAL A 9 -2.472 -3.195 -0.502 1.00 73.12 H new ATOM 0 HG23 VAL A 9 -2.426 -4.474 0.735 1.00 73.12 H new ATOM 153 N SER A 10 2.020 -5.063 0.437 1.00 24.13 N ATOM 154 CA SER A 10 3.468 -5.162 0.575 1.00 44.24 C ATOM 155 C SER A 10 4.080 -5.884 -0.623 1.00 53.02 C ATOM 156 O SER A 10 5.185 -5.561 -1.059 1.00 31.33 O ATOM 157 CB SER A 10 3.830 -5.897 1.866 1.00 31.41 C ATOM 158 OG SER A 10 4.060 -7.274 1.623 1.00 50.22 O ATOM 0 H SER A 10 1.495 -5.413 1.238 1.00 24.13 H new ATOM 0 HA SER A 10 3.874 -4.151 0.615 1.00 44.24 H new ATOM 0 HB2 SER A 10 4.721 -5.449 2.306 1.00 31.41 H new ATOM 0 HB3 SER A 10 3.024 -5.782 2.591 1.00 31.41 H new ATOM 0 HG SER A 10 3.247 -7.682 1.257 1.00 50.22 H new ATOM 164 N ASP A 11 3.353 -6.863 -1.149 1.00 13.20 N ATOM 165 CA ASP A 11 3.821 -7.631 -2.297 1.00 71.14 C ATOM 166 C ASP A 11 4.053 -6.723 -3.501 1.00 71.21 C ATOM 167 O ASP A 11 5.100 -6.788 -4.147 1.00 71.03 O ATOM 168 CB ASP A 11 2.812 -8.723 -2.653 1.00 53.31 C ATOM 169 CG ASP A 11 3.481 -10.034 -3.018 1.00 33.10 C ATOM 170 OD1 ASP A 11 3.904 -10.180 -4.184 1.00 53.12 O ATOM 171 OD2 ASP A 11 3.582 -10.914 -2.137 1.00 4.55 O ATOM 0 H ASP A 11 2.437 -7.144 -0.799 1.00 13.20 H new ATOM 0 HA ASP A 11 4.769 -8.097 -2.028 1.00 71.14 H new ATOM 0 HB2 ASP A 11 2.142 -8.883 -1.808 1.00 53.31 H new ATOM 0 HB3 ASP A 11 2.197 -8.387 -3.488 1.00 53.31 H new ATOM 176 N ILE A 12 3.071 -5.878 -3.796 1.00 24.21 N ATOM 177 CA ILE A 12 3.169 -4.958 -4.922 1.00 2.42 C ATOM 178 C ILE A 12 4.134 -3.816 -4.616 1.00 53.14 C ATOM 179 O ILE A 12 4.929 -3.418 -5.467 1.00 23.44 O ATOM 180 CB ILE A 12 1.794 -4.369 -5.288 1.00 41.44 C ATOM 181 CG1 ILE A 12 0.812 -5.489 -5.640 1.00 34.43 C ATOM 182 CG2 ILE A 12 1.928 -3.393 -6.448 1.00 71.32 C ATOM 183 CD1 ILE A 12 -0.556 -5.309 -5.020 1.00 40.52 C ATOM 0 H ILE A 12 2.199 -5.812 -3.271 1.00 24.21 H new ATOM 0 HA ILE A 12 3.546 -5.533 -5.768 1.00 2.42 H new ATOM 0 HB ILE A 12 1.406 -3.828 -4.425 1.00 41.44 H new ATOM 0 HG12 ILE A 12 0.707 -5.542 -6.724 1.00 34.43 H new ATOM 0 HG13 ILE A 12 1.228 -6.442 -5.313 1.00 34.43 H new ATOM 0 HG21 ILE A 12 0.948 -2.985 -6.695 1.00 71.32 H new ATOM 0 HG22 ILE A 12 2.598 -2.581 -6.165 1.00 71.32 H new ATOM 0 HG23 ILE A 12 2.334 -3.913 -7.316 1.00 71.32 H new ATOM 0 HD11 ILE A 12 -1.200 -6.139 -5.312 1.00 40.52 H new ATOM 0 HD12 ILE A 12 -0.463 -5.286 -3.934 1.00 40.52 H new ATOM 0 HD13 ILE A 12 -0.992 -4.372 -5.367 1.00 40.52 H new ATOM 195 N VAL A 13 4.057 -3.295 -3.396 1.00 30.54 N ATOM 196 CA VAL A 13 4.925 -2.201 -2.976 1.00 61.42 C ATOM 197 C VAL A 13 6.394 -2.597 -3.074 1.00 51.00 C ATOM 198 O VAL A 13 7.169 -1.975 -3.802 1.00 74.42 O ATOM 199 CB VAL A 13 4.617 -1.764 -1.531 1.00 41.35 C ATOM 200 CG1 VAL A 13 5.476 -0.570 -1.140 1.00 41.35 C ATOM 201 CG2 VAL A 13 3.139 -1.441 -1.377 1.00 73.00 C ATOM 0 H VAL A 13 3.403 -3.613 -2.681 1.00 30.54 H new ATOM 0 HA VAL A 13 4.731 -1.366 -3.649 1.00 61.42 H new ATOM 0 HB VAL A 13 4.857 -2.589 -0.860 1.00 41.35 H new ATOM 0 HG11 VAL A 13 5.245 -0.275 -0.116 1.00 41.35 H new ATOM 0 HG12 VAL A 13 6.529 -0.841 -1.211 1.00 41.35 H new ATOM 0 HG13 VAL A 13 5.270 0.262 -1.813 1.00 41.35 H new ATOM 0 HG21 VAL A 13 2.939 -1.134 -0.350 1.00 73.00 H new ATOM 0 HG22 VAL A 13 2.871 -0.632 -2.057 1.00 73.00 H new ATOM 0 HG23 VAL A 13 2.547 -2.325 -1.614 1.00 73.00 H new ATOM 211 N LYS A 14 6.772 -3.636 -2.337 1.00 73.43 N ATOM 212 CA LYS A 14 8.148 -4.118 -2.341 1.00 14.05 C ATOM 213 C LYS A 14 8.610 -4.430 -3.760 1.00 22.43 C ATOM 214 O LYS A 14 9.788 -4.283 -4.084 1.00 22.31 O ATOM 215 CB LYS A 14 8.275 -5.365 -1.464 1.00 63.41 C ATOM 216 CG LYS A 14 7.691 -6.616 -2.099 1.00 20.53 C ATOM 217 CD LYS A 14 7.283 -7.635 -1.047 1.00 60.22 C ATOM 218 CE LYS A 14 8.495 -8.246 -0.363 1.00 21.05 C ATOM 219 NZ LYS A 14 9.036 -9.407 -1.123 1.00 30.11 N ATOM 0 H LYS A 14 6.144 -4.161 -1.729 1.00 73.43 H new ATOM 0 HA LYS A 14 8.785 -3.331 -1.936 1.00 14.05 H new ATOM 0 HB2 LYS A 14 9.328 -5.538 -1.242 1.00 63.41 H new ATOM 0 HB3 LYS A 14 7.775 -5.183 -0.513 1.00 63.41 H new ATOM 0 HG2 LYS A 14 6.824 -6.348 -2.703 1.00 20.53 H new ATOM 0 HG3 LYS A 14 8.424 -7.060 -2.772 1.00 20.53 H new ATOM 0 HD2 LYS A 14 6.647 -7.156 -0.303 1.00 60.22 H new ATOM 0 HD3 LYS A 14 6.691 -8.423 -1.513 1.00 60.22 H new ATOM 0 HE2 LYS A 14 9.272 -7.489 -0.256 1.00 21.05 H new ATOM 0 HE3 LYS A 14 8.221 -8.566 0.642 1.00 21.05 H new ATOM 0 HZ1 LYS A 14 9.861 -9.795 -0.623 1.00 30.11 H new ATOM 0 HZ2 LYS A 14 8.304 -10.141 -1.203 1.00 30.11 H new ATOM 0 HZ3 LYS A 14 9.321 -9.097 -2.074 1.00 30.11 H new ATOM 233 N GLU A 15 7.675 -4.861 -4.602 1.00 20.51 N ATOM 234 CA GLU A 15 7.990 -5.194 -5.986 1.00 14.30 C ATOM 235 C GLU A 15 8.318 -3.936 -6.787 1.00 34.42 C ATOM 236 O GLU A 15 9.178 -3.954 -7.667 1.00 23.04 O ATOM 237 CB GLU A 15 6.817 -5.932 -6.634 1.00 51.31 C ATOM 238 CG GLU A 15 6.828 -7.430 -6.383 1.00 74.43 C ATOM 239 CD GLU A 15 7.905 -8.147 -7.172 1.00 64.14 C ATOM 240 OE1 GLU A 15 8.629 -7.475 -7.934 1.00 24.34 O ATOM 241 OE2 GLU A 15 8.022 -9.383 -7.027 1.00 44.53 O ATOM 0 H GLU A 15 6.695 -4.987 -4.350 1.00 20.51 H new ATOM 0 HA GLU A 15 8.865 -5.844 -5.987 1.00 14.30 H new ATOM 0 HB2 GLU A 15 5.883 -5.516 -6.256 1.00 51.31 H new ATOM 0 HB3 GLU A 15 6.834 -5.752 -7.709 1.00 51.31 H new ATOM 0 HG2 GLU A 15 6.978 -7.615 -5.319 1.00 74.43 H new ATOM 0 HG3 GLU A 15 5.855 -7.845 -6.644 1.00 74.43 H new ATOM 248 N LYS A 16 7.626 -2.846 -6.474 1.00 20.02 N ATOM 249 CA LYS A 16 7.844 -1.578 -7.161 1.00 71.15 C ATOM 250 C LYS A 16 9.044 -0.841 -6.577 1.00 43.31 C ATOM 251 O LYS A 16 9.652 -0.001 -7.241 1.00 3.54 O ATOM 252 CB LYS A 16 6.594 -0.701 -7.062 1.00 12.50 C ATOM 253 CG LYS A 16 5.322 -1.399 -7.511 1.00 41.30 C ATOM 254 CD LYS A 16 4.842 -0.875 -8.853 1.00 53.41 C ATOM 255 CE LYS A 16 4.364 0.566 -8.750 1.00 11.20 C ATOM 256 NZ LYS A 16 3.243 0.711 -7.781 1.00 62.30 N ATOM 0 H LYS A 16 6.909 -2.815 -5.749 1.00 20.02 H new ATOM 0 HA LYS A 16 8.049 -1.792 -8.210 1.00 71.15 H new ATOM 0 HB2 LYS A 16 6.473 -0.372 -6.030 1.00 12.50 H new ATOM 0 HB3 LYS A 16 6.740 0.194 -7.667 1.00 12.50 H new ATOM 0 HG2 LYS A 16 5.500 -2.472 -7.581 1.00 41.30 H new ATOM 0 HG3 LYS A 16 4.543 -1.254 -6.763 1.00 41.30 H new ATOM 0 HD2 LYS A 16 5.651 -0.940 -9.581 1.00 53.41 H new ATOM 0 HD3 LYS A 16 4.031 -1.503 -9.221 1.00 53.41 H new ATOM 0 HE2 LYS A 16 5.194 1.203 -8.443 1.00 11.20 H new ATOM 0 HE3 LYS A 16 4.042 0.913 -9.732 1.00 11.20 H new ATOM 0 HZ1 LYS A 16 2.383 1.004 -8.287 1.00 62.30 H new ATOM 0 HZ2 LYS A 16 3.073 -0.199 -7.308 1.00 62.30 H new ATOM 0 HZ3 LYS A 16 3.489 1.430 -7.071 1.00 62.30 H new ATOM 270 N LEU A 17 9.380 -1.160 -5.332 1.00 44.23 N ATOM 271 CA LEU A 17 10.509 -0.529 -4.659 1.00 2.15 C ATOM 272 C LEU A 17 11.773 -1.370 -4.808 1.00 41.31 C ATOM 273 O LEU A 17 12.875 -0.911 -4.511 1.00 2.52 O ATOM 274 CB LEU A 17 10.194 -0.322 -3.176 1.00 14.42 C ATOM 275 CG LEU A 17 8.975 0.548 -2.865 1.00 4.34 C ATOM 276 CD1 LEU A 17 8.829 0.744 -1.364 1.00 32.10 C ATOM 277 CD2 LEU A 17 9.085 1.892 -3.572 1.00 34.11 C ATOM 0 H LEU A 17 8.886 -1.852 -4.768 1.00 44.23 H new ATOM 0 HA LEU A 17 10.682 0.440 -5.127 1.00 2.15 H new ATOM 0 HB2 LEU A 17 10.045 -1.299 -2.717 1.00 14.42 H new ATOM 0 HB3 LEU A 17 11.066 0.125 -2.699 1.00 14.42 H new ATOM 0 HG LEU A 17 8.085 0.038 -3.233 1.00 4.34 H new ATOM 0 HD11 LEU A 17 7.957 1.365 -1.161 1.00 32.10 H new ATOM 0 HD12 LEU A 17 8.704 -0.225 -0.881 1.00 32.10 H new ATOM 0 HD13 LEU A 17 9.721 1.232 -0.972 1.00 32.10 H new ATOM 0 HD21 LEU A 17 8.209 2.498 -3.340 1.00 34.11 H new ATOM 0 HD22 LEU A 17 9.984 2.408 -3.234 1.00 34.11 H new ATOM 0 HD23 LEU A 17 9.141 1.733 -4.649 1.00 34.11 H new ATOM 289 N ALA A 18 11.604 -2.604 -5.272 1.00 52.54 N ATOM 290 CA ALA A 18 12.731 -3.508 -5.466 1.00 70.13 C ATOM 291 C ALA A 18 12.270 -4.846 -6.036 1.00 1.34 C ATOM 292 O ALA A 18 11.080 -5.051 -6.282 1.00 0.35 O ATOM 293 CB ALA A 18 13.470 -3.718 -4.154 1.00 22.43 C ATOM 0 H ALA A 18 10.698 -3.000 -5.520 1.00 52.54 H new ATOM 0 HA ALA A 18 13.412 -3.052 -6.185 1.00 70.13 H new ATOM 0 HB1 ALA A 18 14.309 -4.395 -4.313 1.00 22.43 H new ATOM 0 HB2 ALA A 18 13.841 -2.761 -3.788 1.00 22.43 H new ATOM 0 HB3 ALA A 18 12.791 -4.149 -3.419 1.00 22.43 H new ATOM 299 N LEU A 19 13.218 -5.753 -6.243 1.00 3.41 N ATOM 300 CA LEU A 19 12.909 -7.072 -6.786 1.00 11.14 C ATOM 301 C LEU A 19 12.175 -7.924 -5.756 1.00 72.02 C ATOM 302 O LEU A 19 11.480 -8.877 -6.107 1.00 43.14 O ATOM 303 CB LEU A 19 14.194 -7.777 -7.226 1.00 54.35 C ATOM 304 CG LEU A 19 14.842 -7.251 -8.507 1.00 21.02 C ATOM 305 CD1 LEU A 19 15.673 -6.011 -8.215 1.00 35.44 C ATOM 306 CD2 LEU A 19 15.700 -8.330 -9.152 1.00 15.24 C ATOM 0 H LEU A 19 14.207 -5.600 -6.043 1.00 3.41 H new ATOM 0 HA LEU A 19 12.260 -6.940 -7.652 1.00 11.14 H new ATOM 0 HB2 LEU A 19 14.921 -7.702 -6.417 1.00 54.35 H new ATOM 0 HB3 LEU A 19 13.976 -8.836 -7.361 1.00 54.35 H new ATOM 0 HG LEU A 19 14.051 -6.977 -9.205 1.00 21.02 H new ATOM 0 HD11 LEU A 19 16.126 -5.651 -9.139 1.00 35.44 H new ATOM 0 HD12 LEU A 19 15.033 -5.234 -7.798 1.00 35.44 H new ATOM 0 HD13 LEU A 19 16.456 -6.258 -7.499 1.00 35.44 H new ATOM 0 HD21 LEU A 19 16.154 -7.938 -10.063 1.00 15.24 H new ATOM 0 HD22 LEU A 19 16.484 -8.635 -8.458 1.00 15.24 H new ATOM 0 HD23 LEU A 19 15.078 -9.191 -9.398 1.00 15.24 H new ATOM 318 N GLY A 20 12.332 -7.574 -4.484 1.00 12.11 N ATOM 319 CA GLY A 20 11.676 -8.315 -3.423 1.00 73.14 C ATOM 320 C GLY A 20 12.495 -9.501 -2.952 1.00 33.23 C ATOM 321 O GLY A 20 12.014 -10.329 -2.180 1.00 11.14 O ATOM 0 H GLY A 20 12.903 -6.789 -4.169 1.00 12.11 H new ATOM 0 HA2 GLY A 20 11.489 -7.649 -2.581 1.00 73.14 H new ATOM 0 HA3 GLY A 20 10.705 -8.664 -3.775 1.00 73.14 H new ATOM 325 N ALA A 21 13.737 -9.583 -3.419 1.00 73.13 N ATOM 326 CA ALA A 21 14.625 -10.675 -3.041 1.00 60.21 C ATOM 327 C ALA A 21 15.516 -10.277 -1.869 1.00 34.01 C ATOM 328 O ALA A 21 15.557 -10.962 -0.846 1.00 44.42 O ATOM 329 CB ALA A 21 15.472 -11.102 -4.230 1.00 21.32 C ATOM 0 H ALA A 21 14.151 -8.906 -4.060 1.00 73.13 H new ATOM 0 HA ALA A 21 14.010 -11.518 -2.726 1.00 60.21 H new ATOM 0 HB1 ALA A 21 16.131 -11.918 -3.933 1.00 21.32 H new ATOM 0 HB2 ALA A 21 14.822 -11.436 -5.039 1.00 21.32 H new ATOM 0 HB3 ALA A 21 16.071 -10.258 -4.571 1.00 21.32 H new ATOM 335 N ASP A 22 16.228 -9.167 -2.024 1.00 3.51 N ATOM 336 CA ASP A 22 17.119 -8.677 -0.979 1.00 4.12 C ATOM 337 C ASP A 22 16.464 -7.545 -0.193 1.00 42.34 C ATOM 338 O ASP A 22 17.127 -6.837 0.566 1.00 51.44 O ATOM 339 CB ASP A 22 18.438 -8.196 -1.587 1.00 11.44 C ATOM 340 CG ASP A 22 19.162 -9.293 -2.341 1.00 61.50 C ATOM 341 OD1 ASP A 22 18.823 -9.528 -3.520 1.00 74.22 O ATOM 342 OD2 ASP A 22 20.069 -9.918 -1.752 1.00 23.04 O ATOM 0 H ASP A 22 16.206 -8.589 -2.864 1.00 3.51 H new ATOM 0 HA ASP A 22 17.323 -9.500 -0.294 1.00 4.12 H new ATOM 0 HB2 ASP A 22 18.241 -7.364 -2.263 1.00 11.44 H new ATOM 0 HB3 ASP A 22 19.083 -7.817 -0.794 1.00 11.44 H new ATOM 347 N VAL A 23 15.158 -7.380 -0.380 1.00 2.33 N ATOM 348 CA VAL A 23 14.414 -6.334 0.311 1.00 14.11 C ATOM 349 C VAL A 23 13.265 -6.922 1.122 1.00 42.34 C ATOM 350 O VAL A 23 12.534 -7.791 0.643 1.00 32.33 O ATOM 351 CB VAL A 23 13.851 -5.298 -0.680 1.00 33.02 C ATOM 352 CG1 VAL A 23 13.068 -4.224 0.059 1.00 55.34 C ATOM 353 CG2 VAL A 23 14.973 -4.681 -1.500 1.00 5.15 C ATOM 0 H VAL A 23 14.594 -7.957 -1.004 1.00 2.33 H new ATOM 0 HA VAL A 23 15.114 -5.839 0.984 1.00 14.11 H new ATOM 0 HB VAL A 23 13.170 -5.806 -1.363 1.00 33.02 H new ATOM 0 HG11 VAL A 23 12.678 -3.501 -0.657 1.00 55.34 H new ATOM 0 HG12 VAL A 23 12.240 -4.684 0.598 1.00 55.34 H new ATOM 0 HG13 VAL A 23 13.724 -3.717 0.766 1.00 55.34 H new ATOM 0 HG21 VAL A 23 14.557 -3.951 -2.195 1.00 5.15 H new ATOM 0 HG22 VAL A 23 15.680 -4.186 -0.834 1.00 5.15 H new ATOM 0 HG23 VAL A 23 15.487 -5.463 -2.059 1.00 5.15 H new ATOM 363 N VAL A 24 13.109 -6.443 2.351 1.00 75.33 N ATOM 364 CA VAL A 24 12.047 -6.921 3.229 1.00 5.04 C ATOM 365 C VAL A 24 11.091 -5.792 3.599 1.00 44.04 C ATOM 366 O VAL A 24 11.514 -4.730 4.058 1.00 62.23 O ATOM 367 CB VAL A 24 12.620 -7.537 4.519 1.00 30.43 C ATOM 368 CG1 VAL A 24 13.500 -6.532 5.246 1.00 11.32 C ATOM 369 CG2 VAL A 24 11.496 -8.024 5.422 1.00 52.33 C ATOM 0 H VAL A 24 13.704 -5.724 2.762 1.00 75.33 H new ATOM 0 HA VAL A 24 11.503 -7.689 2.679 1.00 5.04 H new ATOM 0 HB VAL A 24 13.236 -8.395 4.248 1.00 30.43 H new ATOM 0 HG11 VAL A 24 13.896 -6.985 6.155 1.00 11.32 H new ATOM 0 HG12 VAL A 24 14.326 -6.236 4.599 1.00 11.32 H new ATOM 0 HG13 VAL A 24 12.910 -5.653 5.506 1.00 11.32 H new ATOM 0 HG21 VAL A 24 11.919 -8.456 6.329 1.00 52.33 H new ATOM 0 HG22 VAL A 24 10.852 -7.185 5.686 1.00 52.33 H new ATOM 0 HG23 VAL A 24 10.911 -8.780 4.899 1.00 52.33 H new ATOM 379 N VAL A 25 9.799 -6.028 3.397 1.00 70.41 N ATOM 380 CA VAL A 25 8.781 -5.033 3.710 1.00 4.54 C ATOM 381 C VAL A 25 7.872 -5.512 4.836 1.00 34.13 C ATOM 382 O VAL A 25 7.578 -6.702 4.948 1.00 33.22 O ATOM 383 CB VAL A 25 7.921 -4.702 2.476 1.00 3.31 C ATOM 384 CG1 VAL A 25 7.253 -5.958 1.938 1.00 73.11 C ATOM 385 CG2 VAL A 25 6.885 -3.642 2.818 1.00 74.32 C ATOM 0 H VAL A 25 9.432 -6.901 3.017 1.00 70.41 H new ATOM 0 HA VAL A 25 9.306 -4.133 4.029 1.00 4.54 H new ATOM 0 HB VAL A 25 8.572 -4.304 1.697 1.00 3.31 H new ATOM 0 HG11 VAL A 25 6.650 -5.704 1.066 1.00 73.11 H new ATOM 0 HG12 VAL A 25 8.016 -6.682 1.653 1.00 73.11 H new ATOM 0 HG13 VAL A 25 6.614 -6.389 2.709 1.00 73.11 H new ATOM 0 HG21 VAL A 25 6.286 -3.420 1.935 1.00 74.32 H new ATOM 0 HG22 VAL A 25 6.236 -4.010 3.613 1.00 74.32 H new ATOM 0 HG23 VAL A 25 7.389 -2.735 3.152 1.00 74.32 H new ATOM 395 N THR A 26 7.428 -4.576 5.670 1.00 22.00 N ATOM 396 CA THR A 26 6.552 -4.902 6.788 1.00 52.32 C ATOM 397 C THR A 26 5.614 -3.743 7.108 1.00 43.53 C ATOM 398 O THR A 26 5.813 -2.623 6.637 1.00 74.42 O ATOM 399 CB THR A 26 7.361 -5.255 8.050 1.00 74.34 C ATOM 400 OG1 THR A 26 8.605 -4.545 8.050 1.00 51.24 O ATOM 401 CG2 THR A 26 7.625 -6.752 8.122 1.00 33.35 C ATOM 0 H THR A 26 7.661 -3.586 5.592 1.00 22.00 H new ATOM 0 HA THR A 26 5.964 -5.769 6.487 1.00 52.32 H new ATOM 0 HB THR A 26 6.777 -4.963 8.923 1.00 74.34 H new ATOM 0 HG1 THR A 26 9.112 -4.774 8.857 1.00 51.24 H new ATOM 0 HG21 THR A 26 8.198 -6.978 9.021 1.00 33.35 H new ATOM 0 HG22 THR A 26 6.676 -7.288 8.152 1.00 33.35 H new ATOM 0 HG23 THR A 26 8.190 -7.064 7.244 1.00 33.35 H new ATOM 409 N ALA A 27 4.592 -4.020 7.911 1.00 40.24 N ATOM 410 CA ALA A 27 3.624 -2.999 8.294 1.00 32.42 C ATOM 411 C ALA A 27 4.308 -1.832 9.000 1.00 71.14 C ATOM 412 O ALA A 27 3.798 -0.712 9.001 1.00 23.11 O ATOM 413 CB ALA A 27 2.548 -3.601 9.187 1.00 4.03 C ATOM 0 H ALA A 27 4.413 -4.942 8.309 1.00 40.24 H new ATOM 0 HA ALA A 27 3.156 -2.617 7.386 1.00 32.42 H new ATOM 0 HB1 ALA A 27 1.832 -2.828 9.466 1.00 4.03 H new ATOM 0 HB2 ALA A 27 2.032 -4.397 8.649 1.00 4.03 H new ATOM 0 HB3 ALA A 27 3.008 -4.010 10.086 1.00 4.03 H new ATOM 419 N ASP A 28 5.462 -2.104 9.598 1.00 33.21 N ATOM 420 CA ASP A 28 6.215 -1.076 10.307 1.00 1.41 C ATOM 421 C ASP A 28 7.143 -0.329 9.355 1.00 50.52 C ATOM 422 O ASP A 28 7.582 0.784 9.645 1.00 24.55 O ATOM 423 CB ASP A 28 7.026 -1.700 11.443 1.00 10.01 C ATOM 424 CG ASP A 28 7.400 -0.690 12.511 1.00 63.21 C ATOM 425 OD1 ASP A 28 8.423 0.004 12.337 1.00 25.02 O ATOM 426 OD2 ASP A 28 6.670 -0.594 13.520 1.00 64.31 O ATOM 0 H ASP A 28 5.896 -3.027 9.606 1.00 33.21 H new ATOM 0 HA ASP A 28 5.504 -0.364 10.727 1.00 1.41 H new ATOM 0 HB2 ASP A 28 6.450 -2.507 11.896 1.00 10.01 H new ATOM 0 HB3 ASP A 28 7.933 -2.146 11.035 1.00 10.01 H new ATOM 431 N SER A 29 7.438 -0.947 8.216 1.00 42.25 N ATOM 432 CA SER A 29 8.317 -0.343 7.222 1.00 23.45 C ATOM 433 C SER A 29 7.631 0.833 6.533 1.00 10.14 C ATOM 434 O SER A 29 6.555 0.685 5.955 1.00 31.44 O ATOM 435 CB SER A 29 8.737 -1.383 6.182 1.00 21.42 C ATOM 436 OG SER A 29 7.762 -1.508 5.162 1.00 14.11 O ATOM 0 H SER A 29 7.081 -1.867 7.958 1.00 42.25 H new ATOM 0 HA SER A 29 9.205 0.026 7.735 1.00 23.45 H new ATOM 0 HB2 SER A 29 9.693 -1.097 5.743 1.00 21.42 H new ATOM 0 HB3 SER A 29 8.885 -2.348 6.667 1.00 21.42 H new ATOM 0 HG SER A 29 6.889 -1.699 5.565 1.00 14.11 H new ATOM 442 N GLU A 30 8.264 2.001 6.601 1.00 51.32 N ATOM 443 CA GLU A 30 7.714 3.203 5.984 1.00 71.53 C ATOM 444 C GLU A 30 8.100 3.283 4.510 1.00 20.42 C ATOM 445 O GLU A 30 9.236 2.990 4.137 1.00 72.22 O ATOM 446 CB GLU A 30 8.206 4.451 6.720 1.00 23.31 C ATOM 447 CG GLU A 30 8.129 4.335 8.233 1.00 21.53 C ATOM 448 CD GLU A 30 8.738 5.529 8.942 1.00 42.20 C ATOM 449 OE1 GLU A 30 8.588 6.660 8.433 1.00 21.11 O ATOM 450 OE2 GLU A 30 9.365 5.333 10.004 1.00 35.33 O ATOM 0 H GLU A 30 9.156 2.140 7.076 1.00 51.32 H new ATOM 0 HA GLU A 30 6.627 3.153 6.055 1.00 71.53 H new ATOM 0 HB2 GLU A 30 9.238 4.650 6.431 1.00 23.31 H new ATOM 0 HB3 GLU A 30 7.615 5.309 6.399 1.00 23.31 H new ATOM 0 HG2 GLU A 30 7.086 4.232 8.533 1.00 21.53 H new ATOM 0 HG3 GLU A 30 8.643 3.428 8.551 1.00 21.53 H new ATOM 457 N PHE A 31 7.146 3.683 3.676 1.00 65.45 N ATOM 458 CA PHE A 31 7.383 3.801 2.242 1.00 25.14 C ATOM 459 C PHE A 31 8.625 4.644 1.964 1.00 20.23 C ATOM 460 O PHE A 31 9.448 4.296 1.118 1.00 0.12 O ATOM 461 CB PHE A 31 6.168 4.421 1.551 1.00 14.00 C ATOM 462 CG PHE A 31 4.929 3.576 1.644 1.00 30.23 C ATOM 463 CD1 PHE A 31 4.820 2.399 0.920 1.00 4.34 C ATOM 464 CD2 PHE A 31 3.875 3.957 2.458 1.00 40.02 C ATOM 465 CE1 PHE A 31 3.683 1.621 1.004 1.00 73.23 C ATOM 466 CE2 PHE A 31 2.733 3.182 2.546 1.00 62.32 C ATOM 467 CZ PHE A 31 2.638 2.012 1.819 1.00 54.20 C ATOM 0 H PHE A 31 6.201 3.931 3.969 1.00 65.45 H new ATOM 0 HA PHE A 31 7.547 2.800 1.843 1.00 25.14 H new ATOM 0 HB2 PHE A 31 5.967 5.397 1.994 1.00 14.00 H new ATOM 0 HB3 PHE A 31 6.405 4.590 0.501 1.00 14.00 H new ATOM 0 HD1 PHE A 31 5.634 2.087 0.283 1.00 4.34 H new ATOM 0 HD2 PHE A 31 3.946 4.870 3.031 1.00 40.02 H new ATOM 0 HE1 PHE A 31 3.610 0.707 0.433 1.00 73.23 H new ATOM 0 HE2 PHE A 31 1.917 3.491 3.182 1.00 62.32 H new ATOM 0 HZ PHE A 31 1.748 1.403 1.887 1.00 54.20 H new ATOM 477 N SER A 32 8.752 5.754 2.684 1.00 11.02 N ATOM 478 CA SER A 32 9.890 6.650 2.513 1.00 70.21 C ATOM 479 C SER A 32 11.189 5.963 2.927 1.00 41.44 C ATOM 480 O SER A 32 12.257 6.254 2.388 1.00 31.14 O ATOM 481 CB SER A 32 9.691 7.925 3.334 1.00 40.51 C ATOM 482 OG SER A 32 10.423 9.006 2.784 1.00 2.24 O ATOM 0 H SER A 32 8.081 6.054 3.391 1.00 11.02 H new ATOM 0 HA SER A 32 9.958 6.913 1.457 1.00 70.21 H new ATOM 0 HB2 SER A 32 8.631 8.179 3.366 1.00 40.51 H new ATOM 0 HB3 SER A 32 10.009 7.752 4.362 1.00 40.51 H new ATOM 0 HG SER A 32 10.277 9.809 3.326 1.00 2.24 H new ATOM 488 N LYS A 33 11.088 5.051 3.886 1.00 63.40 N ATOM 489 CA LYS A 33 12.252 4.320 4.372 1.00 70.42 C ATOM 490 C LYS A 33 12.658 3.225 3.391 1.00 53.23 C ATOM 491 O LYS A 33 13.845 2.983 3.171 1.00 70.15 O ATOM 492 CB LYS A 33 11.958 3.706 5.744 1.00 3.35 C ATOM 493 CG LYS A 33 12.352 4.601 6.906 1.00 21.33 C ATOM 494 CD LYS A 33 13.779 4.336 7.355 1.00 2.24 C ATOM 495 CE LYS A 33 13.831 3.301 8.467 1.00 30.30 C ATOM 496 NZ LYS A 33 15.209 2.774 8.671 1.00 5.04 N ATOM 0 H LYS A 33 10.211 4.800 4.343 1.00 63.40 H new ATOM 0 HA LYS A 33 13.078 5.025 4.464 1.00 70.42 H new ATOM 0 HB2 LYS A 33 10.893 3.483 5.813 1.00 3.35 H new ATOM 0 HB3 LYS A 33 12.489 2.758 5.830 1.00 3.35 H new ATOM 0 HG2 LYS A 33 12.250 5.646 6.613 1.00 21.33 H new ATOM 0 HG3 LYS A 33 11.670 4.436 7.741 1.00 21.33 H new ATOM 0 HD2 LYS A 33 14.370 3.990 6.507 1.00 2.24 H new ATOM 0 HD3 LYS A 33 14.231 5.266 7.701 1.00 2.24 H new ATOM 0 HE2 LYS A 33 13.472 3.746 9.395 1.00 30.30 H new ATOM 0 HE3 LYS A 33 13.159 2.477 8.228 1.00 30.30 H new ATOM 0 HZ1 LYS A 33 15.202 2.071 9.438 1.00 5.04 H new ATOM 0 HZ2 LYS A 33 15.543 2.326 7.794 1.00 5.04 H new ATOM 0 HZ3 LYS A 33 15.846 3.556 8.924 1.00 5.04 H new ATOM 510 N LEU A 34 11.664 2.568 2.802 1.00 43.40 N ATOM 511 CA LEU A 34 11.917 1.499 1.841 1.00 2.02 C ATOM 512 C LEU A 34 12.557 2.050 0.571 1.00 32.21 C ATOM 513 O LEU A 34 13.194 1.316 -0.183 1.00 41.24 O ATOM 514 CB LEU A 34 10.614 0.776 1.497 1.00 14.32 C ATOM 515 CG LEU A 34 9.898 0.091 2.662 1.00 25.45 C ATOM 516 CD1 LEU A 34 8.692 -0.689 2.164 1.00 13.04 C ATOM 517 CD2 LEU A 34 10.856 -0.825 3.411 1.00 54.22 C ATOM 0 H LEU A 34 10.676 2.757 2.973 1.00 43.40 H new ATOM 0 HA LEU A 34 12.608 0.790 2.297 1.00 2.02 H new ATOM 0 HB2 LEU A 34 9.930 1.497 1.049 1.00 14.32 H new ATOM 0 HB3 LEU A 34 10.828 0.025 0.737 1.00 14.32 H new ATOM 0 HG LEU A 34 9.547 0.860 3.351 1.00 25.45 H new ATOM 0 HD11 LEU A 34 8.196 -1.169 3.007 1.00 13.04 H new ATOM 0 HD12 LEU A 34 7.996 -0.009 1.673 1.00 13.04 H new ATOM 0 HD13 LEU A 34 9.018 -1.449 1.454 1.00 13.04 H new ATOM 0 HD21 LEU A 34 10.330 -1.304 4.237 1.00 54.22 H new ATOM 0 HD22 LEU A 34 11.236 -1.588 2.731 1.00 54.22 H new ATOM 0 HD23 LEU A 34 11.688 -0.240 3.802 1.00 54.22 H new ATOM 529 N GLY A 35 12.385 3.348 0.341 1.00 14.03 N ATOM 530 CA GLY A 35 12.953 3.975 -0.837 1.00 65.10 C ATOM 531 C GLY A 35 11.892 4.456 -1.807 1.00 14.14 C ATOM 532 O GLY A 35 12.142 4.566 -3.006 1.00 43.43 O ATOM 0 H GLY A 35 11.862 3.977 0.950 1.00 14.03 H new ATOM 0 HA2 GLY A 35 13.572 4.819 -0.533 1.00 65.10 H new ATOM 0 HA3 GLY A 35 13.608 3.265 -1.342 1.00 65.10 H new ATOM 536 N ALA A 36 10.703 4.743 -1.285 1.00 4.52 N ATOM 537 CA ALA A 36 9.601 5.216 -2.113 1.00 71.22 C ATOM 538 C ALA A 36 9.418 6.724 -1.977 1.00 24.31 C ATOM 539 O ALA A 36 8.993 7.215 -0.931 1.00 0.13 O ATOM 540 CB ALA A 36 8.315 4.491 -1.743 1.00 34.44 C ATOM 0 H ALA A 36 10.479 4.656 -0.294 1.00 4.52 H new ATOM 0 HA ALA A 36 9.842 4.999 -3.154 1.00 71.22 H new ATOM 0 HB1 ALA A 36 7.500 4.854 -2.369 1.00 34.44 H new ATOM 0 HB2 ALA A 36 8.443 3.420 -1.899 1.00 34.44 H new ATOM 0 HB3 ALA A 36 8.080 4.679 -0.696 1.00 34.44 H new ATOM 546 N ASP A 37 9.744 7.452 -3.039 1.00 1.22 N ATOM 547 CA ASP A 37 9.616 8.905 -3.037 1.00 45.42 C ATOM 548 C ASP A 37 8.163 9.322 -3.235 1.00 14.12 C ATOM 549 O ASP A 37 7.305 8.496 -3.541 1.00 60.25 O ATOM 550 CB ASP A 37 10.489 9.516 -4.135 1.00 42.05 C ATOM 551 CG ASP A 37 11.798 8.772 -4.315 1.00 0.14 C ATOM 552 OD1 ASP A 37 12.593 8.730 -3.353 1.00 32.25 O ATOM 553 OD2 ASP A 37 12.027 8.233 -5.418 1.00 3.45 O ATOM 0 H ASP A 37 10.099 7.061 -3.912 1.00 1.22 H new ATOM 0 HA ASP A 37 9.952 9.274 -2.068 1.00 45.42 H new ATOM 0 HB2 ASP A 37 9.940 9.512 -5.076 1.00 42.05 H new ATOM 0 HB3 ASP A 37 10.697 10.558 -3.892 1.00 42.05 H new ATOM 558 N SER A 38 7.894 10.612 -3.055 1.00 55.00 N ATOM 559 CA SER A 38 6.542 11.139 -3.207 1.00 20.24 C ATOM 560 C SER A 38 5.946 10.724 -4.549 1.00 22.12 C ATOM 561 O SER A 38 4.774 10.354 -4.633 1.00 64.15 O ATOM 562 CB SER A 38 6.551 12.665 -3.089 1.00 63.14 C ATOM 563 OG SER A 38 7.400 13.246 -4.063 1.00 2.22 O ATOM 0 H SER A 38 8.594 11.311 -2.804 1.00 55.00 H new ATOM 0 HA SER A 38 5.924 10.724 -2.411 1.00 20.24 H new ATOM 0 HB2 SER A 38 5.538 13.048 -3.210 1.00 63.14 H new ATOM 0 HB3 SER A 38 6.884 12.954 -2.092 1.00 63.14 H new ATOM 0 HG SER A 38 7.387 14.221 -3.968 1.00 2.22 H new ATOM 569 N LEU A 39 6.761 10.790 -5.596 1.00 14.40 N ATOM 570 CA LEU A 39 6.315 10.422 -6.936 1.00 62.23 C ATOM 571 C LEU A 39 6.140 8.912 -7.056 1.00 24.43 C ATOM 572 O LEU A 39 5.355 8.430 -7.873 1.00 62.21 O ATOM 573 CB LEU A 39 7.317 10.916 -7.981 1.00 51.12 C ATOM 574 CG LEU A 39 7.845 12.337 -7.786 1.00 53.00 C ATOM 575 CD1 LEU A 39 8.964 12.631 -8.773 1.00 5.03 C ATOM 576 CD2 LEU A 39 6.719 13.350 -7.937 1.00 52.42 C ATOM 0 H LEU A 39 7.733 11.094 -5.544 1.00 14.40 H new ATOM 0 HA LEU A 39 5.350 10.896 -7.114 1.00 62.23 H new ATOM 0 HB2 LEU A 39 8.166 10.233 -7.992 1.00 51.12 H new ATOM 0 HB3 LEU A 39 6.847 10.856 -8.963 1.00 51.12 H new ATOM 0 HG LEU A 39 8.248 12.419 -6.776 1.00 53.00 H new ATOM 0 HD11 LEU A 39 9.327 13.647 -8.619 1.00 5.03 H new ATOM 0 HD12 LEU A 39 9.781 11.926 -8.618 1.00 5.03 H new ATOM 0 HD13 LEU A 39 8.587 12.531 -9.791 1.00 5.03 H new ATOM 0 HD21 LEU A 39 7.113 14.356 -7.795 1.00 52.42 H new ATOM 0 HD22 LEU A 39 6.286 13.267 -8.934 1.00 52.42 H new ATOM 0 HD23 LEU A 39 5.950 13.153 -7.190 1.00 52.42 H new ATOM 588 N ASP A 40 6.875 8.169 -6.235 1.00 13.53 N ATOM 589 CA ASP A 40 6.799 6.713 -6.246 1.00 73.12 C ATOM 590 C ASP A 40 5.532 6.229 -5.549 1.00 13.13 C ATOM 591 O ASP A 40 4.814 5.372 -6.065 1.00 54.31 O ATOM 592 CB ASP A 40 8.031 6.112 -5.568 1.00 75.13 C ATOM 593 CG ASP A 40 8.795 5.174 -6.481 1.00 32.52 C ATOM 594 OD1 ASP A 40 8.266 4.086 -6.790 1.00 22.53 O ATOM 595 OD2 ASP A 40 9.923 5.527 -6.886 1.00 33.42 O ATOM 0 H ASP A 40 7.530 8.552 -5.553 1.00 13.53 H new ATOM 0 HA ASP A 40 6.768 6.383 -7.284 1.00 73.12 H new ATOM 0 HB2 ASP A 40 8.692 6.916 -5.243 1.00 75.13 H new ATOM 0 HB3 ASP A 40 7.722 5.572 -4.673 1.00 75.13 H new ATOM 600 N THR A 41 5.262 6.784 -4.371 1.00 53.23 N ATOM 601 CA THR A 41 4.082 6.409 -3.602 1.00 22.52 C ATOM 602 C THR A 41 2.824 6.470 -4.459 1.00 52.11 C ATOM 603 O THR A 41 1.897 5.681 -4.277 1.00 31.34 O ATOM 604 CB THR A 41 3.899 7.321 -2.373 1.00 43.04 C ATOM 605 OG1 THR A 41 5.036 7.214 -1.510 1.00 21.31 O ATOM 606 CG2 THR A 41 2.637 6.950 -1.609 1.00 32.03 C ATOM 0 H THR A 41 5.845 7.495 -3.929 1.00 53.23 H new ATOM 0 HA THR A 41 4.238 5.384 -3.265 1.00 22.52 H new ATOM 0 HB THR A 41 3.805 8.350 -2.721 1.00 43.04 H new ATOM 0 HG1 THR A 41 4.913 7.798 -0.733 1.00 21.31 H new ATOM 0 HG21 THR A 41 2.528 7.607 -0.746 1.00 32.03 H new ATOM 0 HG22 THR A 41 1.771 7.061 -2.261 1.00 32.03 H new ATOM 0 HG23 THR A 41 2.707 5.916 -1.272 1.00 32.03 H new ATOM 614 N VAL A 42 2.797 7.414 -5.395 1.00 74.15 N ATOM 615 CA VAL A 42 1.651 7.577 -6.283 1.00 23.13 C ATOM 616 C VAL A 42 1.349 6.285 -7.034 1.00 13.22 C ATOM 617 O VAL A 42 0.198 5.859 -7.115 1.00 51.35 O ATOM 618 CB VAL A 42 1.889 8.707 -7.302 1.00 51.24 C ATOM 619 CG1 VAL A 42 0.793 8.713 -8.357 1.00 12.20 C ATOM 620 CG2 VAL A 42 1.969 10.052 -6.597 1.00 62.41 C ATOM 0 H VAL A 42 3.555 8.077 -5.558 1.00 74.15 H new ATOM 0 HA VAL A 42 0.798 7.836 -5.656 1.00 23.13 H new ATOM 0 HB VAL A 42 2.841 8.528 -7.802 1.00 51.24 H new ATOM 0 HG11 VAL A 42 0.977 9.518 -9.069 1.00 12.20 H new ATOM 0 HG12 VAL A 42 0.789 7.758 -8.882 1.00 12.20 H new ATOM 0 HG13 VAL A 42 -0.173 8.867 -7.877 1.00 12.20 H new ATOM 0 HG21 VAL A 42 2.137 10.839 -7.332 1.00 62.41 H new ATOM 0 HG22 VAL A 42 1.034 10.242 -6.069 1.00 62.41 H new ATOM 0 HG23 VAL A 42 2.793 10.040 -5.883 1.00 62.41 H new ATOM 630 N GLU A 43 2.391 5.667 -7.579 1.00 64.33 N ATOM 631 CA GLU A 43 2.236 4.422 -8.324 1.00 73.52 C ATOM 632 C GLU A 43 1.785 3.290 -7.404 1.00 42.44 C ATOM 633 O GLU A 43 1.037 2.404 -7.816 1.00 65.44 O ATOM 634 CB GLU A 43 3.552 4.044 -9.008 1.00 52.34 C ATOM 635 CG GLU A 43 3.363 3.334 -10.338 1.00 51.23 C ATOM 636 CD GLU A 43 4.680 2.992 -11.009 1.00 60.41 C ATOM 637 OE1 GLU A 43 5.670 2.755 -10.286 1.00 13.23 O ATOM 638 OE2 GLU A 43 4.718 2.959 -12.256 1.00 24.21 O ATOM 0 H GLU A 43 3.351 6.007 -7.519 1.00 64.33 H new ATOM 0 HA GLU A 43 1.470 4.576 -9.084 1.00 73.52 H new ATOM 0 HB2 GLU A 43 4.141 4.947 -9.168 1.00 52.34 H new ATOM 0 HB3 GLU A 43 4.127 3.402 -8.341 1.00 52.34 H new ATOM 0 HG2 GLU A 43 2.792 2.419 -10.179 1.00 51.23 H new ATOM 0 HG3 GLU A 43 2.774 3.966 -11.003 1.00 51.23 H new ATOM 645 N ILE A 44 2.245 3.328 -6.159 1.00 2.54 N ATOM 646 CA ILE A 44 1.889 2.308 -5.181 1.00 51.42 C ATOM 647 C ILE A 44 0.382 2.267 -4.954 1.00 60.22 C ATOM 648 O ILE A 44 -0.230 1.199 -4.967 1.00 34.40 O ATOM 649 CB ILE A 44 2.593 2.549 -3.833 1.00 45.12 C ATOM 650 CG1 ILE A 44 4.088 2.794 -4.051 1.00 1.23 C ATOM 651 CG2 ILE A 44 2.375 1.365 -2.903 1.00 24.42 C ATOM 652 CD1 ILE A 44 4.773 1.697 -4.835 1.00 31.51 C ATOM 0 H ILE A 44 2.866 4.055 -5.803 1.00 2.54 H new ATOM 0 HA ILE A 44 2.220 1.352 -5.588 1.00 51.42 H new ATOM 0 HB ILE A 44 2.162 3.436 -3.368 1.00 45.12 H new ATOM 0 HG12 ILE A 44 4.220 3.741 -4.575 1.00 1.23 H new ATOM 0 HG13 ILE A 44 4.576 2.896 -3.082 1.00 1.23 H new ATOM 0 HG21 ILE A 44 2.879 1.550 -1.954 1.00 24.42 H new ATOM 0 HG22 ILE A 44 1.307 1.232 -2.727 1.00 24.42 H new ATOM 0 HG23 ILE A 44 2.783 0.463 -3.360 1.00 24.42 H new ATOM 0 HD11 ILE A 44 5.830 1.938 -4.951 1.00 31.51 H new ATOM 0 HD12 ILE A 44 4.673 0.752 -4.302 1.00 31.51 H new ATOM 0 HD13 ILE A 44 4.311 1.610 -5.818 1.00 31.51 H new ATOM 664 N VAL A 45 -0.213 3.438 -4.747 1.00 45.31 N ATOM 665 CA VAL A 45 -1.649 3.536 -4.520 1.00 1.35 C ATOM 666 C VAL A 45 -2.426 3.323 -5.814 1.00 60.22 C ATOM 667 O VAL A 45 -3.534 2.786 -5.804 1.00 13.04 O ATOM 668 CB VAL A 45 -2.030 4.905 -3.926 1.00 13.24 C ATOM 669 CG1 VAL A 45 -3.472 4.895 -3.442 1.00 73.11 C ATOM 670 CG2 VAL A 45 -1.083 5.277 -2.795 1.00 54.33 C ATOM 0 H VAL A 45 0.278 4.332 -4.732 1.00 45.31 H new ATOM 0 HA VAL A 45 -1.911 2.753 -3.809 1.00 1.35 H new ATOM 0 HB VAL A 45 -1.940 5.658 -4.708 1.00 13.24 H new ATOM 0 HG11 VAL A 45 -3.723 5.871 -3.026 1.00 73.11 H new ATOM 0 HG12 VAL A 45 -4.135 4.676 -4.279 1.00 73.11 H new ATOM 0 HG13 VAL A 45 -3.593 4.131 -2.674 1.00 73.11 H new ATOM 0 HG21 VAL A 45 -1.367 6.247 -2.387 1.00 54.33 H new ATOM 0 HG22 VAL A 45 -1.139 4.523 -2.010 1.00 54.33 H new ATOM 0 HG23 VAL A 45 -0.063 5.328 -3.176 1.00 54.33 H new ATOM 680 N MET A 46 -1.838 3.745 -6.928 1.00 4.21 N ATOM 681 CA MET A 46 -2.475 3.598 -8.232 1.00 20.24 C ATOM 682 C MET A 46 -2.584 2.127 -8.621 1.00 23.43 C ATOM 683 O MET A 46 -3.657 1.650 -8.985 1.00 72.24 O ATOM 684 CB MET A 46 -1.687 4.362 -9.297 1.00 43.51 C ATOM 685 CG MET A 46 -2.555 4.913 -10.417 1.00 60.22 C ATOM 686 SD MET A 46 -1.871 6.408 -11.156 1.00 4.43 S ATOM 687 CE MET A 46 -1.874 7.514 -9.746 1.00 44.31 C ATOM 0 H MET A 46 -0.921 4.192 -6.954 1.00 4.21 H new ATOM 0 HA MET A 46 -3.481 4.014 -8.166 1.00 20.24 H new ATOM 0 HB2 MET A 46 -1.155 5.186 -8.822 1.00 43.51 H new ATOM 0 HB3 MET A 46 -0.934 3.700 -9.724 1.00 43.51 H new ATOM 0 HG2 MET A 46 -2.672 4.152 -11.189 1.00 60.22 H new ATOM 0 HG3 MET A 46 -3.550 5.128 -10.028 1.00 60.22 H new ATOM 0 HE1 MET A 46 -1.494 8.490 -10.048 1.00 44.31 H new ATOM 0 HE2 MET A 46 -2.891 7.621 -9.370 1.00 44.31 H new ATOM 0 HE3 MET A 46 -1.238 7.104 -8.961 1.00 44.31 H new ATOM 697 N ASN A 47 -1.465 1.414 -8.541 1.00 4.50 N ATOM 698 CA ASN A 47 -1.434 -0.003 -8.885 1.00 52.52 C ATOM 699 C ASN A 47 -2.368 -0.802 -7.982 1.00 71.21 C ATOM 700 O ASN A 47 -3.111 -1.667 -8.447 1.00 1.30 O ATOM 701 CB ASN A 47 -0.008 -0.546 -8.773 1.00 51.23 C ATOM 702 CG ASN A 47 0.779 -0.372 -10.058 1.00 65.32 C ATOM 703 OD1 ASN A 47 1.255 -1.344 -10.644 1.00 24.14 O ATOM 704 ND2 ASN A 47 0.919 0.872 -10.501 1.00 25.10 N ATOM 0 H ASN A 47 -0.567 1.795 -8.241 1.00 4.50 H new ATOM 0 HA ASN A 47 -1.775 -0.109 -9.915 1.00 52.52 H new ATOM 0 HB2 ASN A 47 0.510 -0.035 -7.961 1.00 51.23 H new ATOM 0 HB3 ASN A 47 -0.044 -1.604 -8.513 1.00 51.23 H new ATOM 0 HD21 ASN A 47 1.439 1.052 -11.360 1.00 25.10 H new ATOM 0 HD22 ASN A 47 0.507 1.648 -9.982 1.00 25.10 H new ATOM 711 N LEU A 48 -2.325 -0.507 -6.688 1.00 33.13 N ATOM 712 CA LEU A 48 -3.167 -1.197 -5.716 1.00 40.44 C ATOM 713 C LEU A 48 -4.643 -1.046 -6.071 1.00 41.43 C ATOM 714 O LEU A 48 -5.385 -2.027 -6.111 1.00 12.41 O ATOM 715 CB LEU A 48 -2.910 -0.652 -4.311 1.00 74.52 C ATOM 716 CG LEU A 48 -1.577 -1.046 -3.672 1.00 13.23 C ATOM 717 CD1 LEU A 48 -1.239 -0.107 -2.523 1.00 4.42 C ATOM 718 CD2 LEU A 48 -1.621 -2.488 -3.189 1.00 55.32 C ATOM 0 H LEU A 48 -1.716 0.206 -6.287 1.00 33.13 H new ATOM 0 HA LEU A 48 -2.913 -2.257 -5.739 1.00 40.44 H new ATOM 0 HB2 LEU A 48 -2.964 0.436 -4.349 1.00 74.52 H new ATOM 0 HB3 LEU A 48 -3.716 -0.989 -3.659 1.00 74.52 H new ATOM 0 HG LEU A 48 -0.795 -0.962 -4.427 1.00 13.23 H new ATOM 0 HD11 LEU A 48 -0.288 -0.402 -2.080 1.00 4.42 H new ATOM 0 HD12 LEU A 48 -1.164 0.914 -2.897 1.00 4.42 H new ATOM 0 HD13 LEU A 48 -2.023 -0.160 -1.767 1.00 4.42 H new ATOM 0 HD21 LEU A 48 -0.664 -2.750 -2.738 1.00 55.32 H new ATOM 0 HD22 LEU A 48 -2.414 -2.600 -2.449 1.00 55.32 H new ATOM 0 HD23 LEU A 48 -1.817 -3.149 -4.034 1.00 55.32 H new ATOM 730 N GLU A 49 -5.060 0.189 -6.330 1.00 51.55 N ATOM 731 CA GLU A 49 -6.447 0.468 -6.683 1.00 75.25 C ATOM 732 C GLU A 49 -6.886 -0.377 -7.876 1.00 20.12 C ATOM 733 O GLU A 49 -8.053 -0.749 -7.989 1.00 50.23 O ATOM 734 CB GLU A 49 -6.627 1.954 -7.003 1.00 74.14 C ATOM 735 CG GLU A 49 -6.727 2.834 -5.769 1.00 34.03 C ATOM 736 CD GLU A 49 -6.495 4.300 -6.079 1.00 34.22 C ATOM 737 OE1 GLU A 49 -7.314 4.888 -6.816 1.00 61.44 O ATOM 738 OE2 GLU A 49 -5.495 4.861 -5.584 1.00 31.11 O ATOM 0 H GLU A 49 -4.458 1.012 -6.302 1.00 51.55 H new ATOM 0 HA GLU A 49 -7.071 0.210 -5.827 1.00 75.25 H new ATOM 0 HB2 GLU A 49 -5.788 2.290 -7.612 1.00 74.14 H new ATOM 0 HB3 GLU A 49 -7.528 2.081 -7.604 1.00 74.14 H new ATOM 0 HG2 GLU A 49 -7.713 2.713 -5.320 1.00 34.03 H new ATOM 0 HG3 GLU A 49 -5.997 2.502 -5.031 1.00 34.03 H new ATOM 745 N GLU A 50 -5.941 -0.676 -8.762 1.00 2.34 N ATOM 746 CA GLU A 50 -6.229 -1.474 -9.946 1.00 73.33 C ATOM 747 C GLU A 50 -6.393 -2.947 -9.581 1.00 40.34 C ATOM 748 O GLU A 50 -7.161 -3.671 -10.214 1.00 60.34 O ATOM 749 CB GLU A 50 -5.114 -1.315 -10.982 1.00 32.44 C ATOM 750 CG GLU A 50 -5.389 -2.038 -12.289 1.00 30.04 C ATOM 751 CD GLU A 50 -6.674 -1.578 -12.950 1.00 62.14 C ATOM 752 OE1 GLU A 50 -6.916 -0.355 -12.992 1.00 13.12 O ATOM 753 OE2 GLU A 50 -7.436 -2.444 -13.428 1.00 75.11 O ATOM 0 H GLU A 50 -4.969 -0.377 -8.681 1.00 2.34 H new ATOM 0 HA GLU A 50 -7.165 -1.116 -10.375 1.00 73.33 H new ATOM 0 HB2 GLU A 50 -4.969 -0.254 -11.187 1.00 32.44 H new ATOM 0 HB3 GLU A 50 -4.181 -1.688 -10.559 1.00 32.44 H new ATOM 0 HG2 GLU A 50 -4.555 -1.876 -12.972 1.00 30.04 H new ATOM 0 HG3 GLU A 50 -5.444 -3.110 -12.102 1.00 30.04 H new ATOM 760 N GLU A 51 -5.665 -3.382 -8.558 1.00 62.35 N ATOM 761 CA GLU A 51 -5.729 -4.768 -8.111 1.00 60.51 C ATOM 762 C GLU A 51 -7.011 -5.029 -7.326 1.00 70.31 C ATOM 763 O GLU A 51 -7.711 -6.013 -7.567 1.00 42.23 O ATOM 764 CB GLU A 51 -4.512 -5.105 -7.247 1.00 70.52 C ATOM 765 CG GLU A 51 -4.239 -6.595 -7.133 1.00 71.24 C ATOM 766 CD GLU A 51 -5.173 -7.288 -6.159 1.00 15.52 C ATOM 767 OE1 GLU A 51 -5.373 -6.752 -5.048 1.00 33.22 O ATOM 768 OE2 GLU A 51 -5.706 -8.361 -6.507 1.00 61.53 O ATOM 0 H GLU A 51 -5.024 -2.795 -8.023 1.00 62.35 H new ATOM 0 HA GLU A 51 -5.728 -5.407 -8.994 1.00 60.51 H new ATOM 0 HB2 GLU A 51 -3.633 -4.614 -7.665 1.00 70.52 H new ATOM 0 HB3 GLU A 51 -4.661 -4.694 -6.248 1.00 70.52 H new ATOM 0 HG2 GLU A 51 -4.339 -7.055 -8.116 1.00 71.24 H new ATOM 0 HG3 GLU A 51 -3.208 -6.748 -6.813 1.00 71.24 H new ATOM 775 N PHE A 52 -7.312 -4.140 -6.385 1.00 54.04 N ATOM 776 CA PHE A 52 -8.510 -4.274 -5.563 1.00 12.02 C ATOM 777 C PHE A 52 -9.715 -3.639 -6.250 1.00 41.55 C ATOM 778 O PHE A 52 -10.801 -3.560 -5.676 1.00 45.51 O ATOM 779 CB PHE A 52 -8.289 -3.625 -4.194 1.00 41.25 C ATOM 780 CG PHE A 52 -7.146 -4.222 -3.425 1.00 41.45 C ATOM 781 CD1 PHE A 52 -7.306 -5.409 -2.729 1.00 53.33 C ATOM 782 CD2 PHE A 52 -5.910 -3.595 -3.398 1.00 51.14 C ATOM 783 CE1 PHE A 52 -6.256 -5.962 -2.021 1.00 1.22 C ATOM 784 CE2 PHE A 52 -4.856 -4.143 -2.691 1.00 65.02 C ATOM 785 CZ PHE A 52 -5.030 -5.327 -2.001 1.00 64.21 C ATOM 0 H PHE A 52 -6.744 -3.320 -6.173 1.00 54.04 H new ATOM 0 HA PHE A 52 -8.710 -5.337 -5.427 1.00 12.02 H new ATOM 0 HB2 PHE A 52 -8.107 -2.559 -4.331 1.00 41.25 H new ATOM 0 HB3 PHE A 52 -9.201 -3.719 -3.605 1.00 41.25 H new ATOM 0 HD1 PHE A 52 -8.263 -5.909 -2.740 1.00 53.33 H new ATOM 0 HD2 PHE A 52 -5.769 -2.669 -3.935 1.00 51.14 H new ATOM 0 HE1 PHE A 52 -6.394 -6.889 -1.484 1.00 1.22 H new ATOM 0 HE2 PHE A 52 -3.897 -3.646 -2.678 1.00 65.02 H new ATOM 0 HZ PHE A 52 -4.208 -5.755 -1.447 1.00 64.21 H new ATOM 795 N GLY A 53 -9.515 -3.188 -7.485 1.00 53.15 N ATOM 796 CA GLY A 53 -10.593 -2.565 -8.232 1.00 74.23 C ATOM 797 C GLY A 53 -11.270 -1.454 -7.455 1.00 22.04 C ATOM 798 O GLY A 53 -12.469 -1.220 -7.609 1.00 52.01 O ATOM 0 H GLY A 53 -8.626 -3.243 -7.982 1.00 53.15 H new ATOM 0 HA2 GLY A 53 -10.199 -2.163 -9.166 1.00 74.23 H new ATOM 0 HA3 GLY A 53 -11.332 -3.321 -8.497 1.00 74.23 H new ATOM 802 N ILE A 54 -10.500 -0.766 -6.617 1.00 63.33 N ATOM 803 CA ILE A 54 -11.033 0.327 -5.813 1.00 71.31 C ATOM 804 C ILE A 54 -10.564 1.678 -6.342 1.00 43.44 C ATOM 805 O ILE A 54 -9.825 1.749 -7.323 1.00 41.23 O ATOM 806 CB ILE A 54 -10.617 0.194 -4.336 1.00 25.13 C ATOM 807 CG1 ILE A 54 -9.092 0.232 -4.209 1.00 52.10 C ATOM 808 CG2 ILE A 54 -11.171 -1.092 -3.743 1.00 73.41 C ATOM 809 CD1 ILE A 54 -8.609 0.388 -2.784 1.00 12.04 C ATOM 0 H ILE A 54 -9.506 -0.946 -6.478 1.00 63.33 H new ATOM 0 HA ILE A 54 -12.119 0.270 -5.883 1.00 71.31 H new ATOM 0 HB ILE A 54 -11.031 1.035 -3.780 1.00 25.13 H new ATOM 0 HG12 ILE A 54 -8.678 -0.686 -4.626 1.00 52.10 H new ATOM 0 HG13 ILE A 54 -8.706 1.057 -4.808 1.00 52.10 H new ATOM 0 HG21 ILE A 54 -10.868 -1.171 -2.699 1.00 73.41 H new ATOM 0 HG22 ILE A 54 -12.259 -1.082 -3.806 1.00 73.41 H new ATOM 0 HG23 ILE A 54 -10.783 -1.946 -4.299 1.00 73.41 H new ATOM 0 HD11 ILE A 54 -7.519 0.407 -2.769 1.00 12.04 H new ATOM 0 HD12 ILE A 54 -8.994 1.320 -2.369 1.00 12.04 H new ATOM 0 HD13 ILE A 54 -8.965 -0.450 -2.185 1.00 12.04 H new ATOM 821 N ASN A 55 -10.999 2.748 -5.685 1.00 23.42 N ATOM 822 CA ASN A 55 -10.622 4.098 -6.089 1.00 34.23 C ATOM 823 C ASN A 55 -10.310 4.963 -4.871 1.00 42.05 C ATOM 824 O ASN A 55 -11.091 5.023 -3.922 1.00 70.13 O ATOM 825 CB ASN A 55 -11.744 4.739 -6.909 1.00 74.41 C ATOM 826 CG ASN A 55 -13.122 4.334 -6.419 1.00 21.22 C ATOM 827 OD1 ASN A 55 -13.823 3.562 -7.073 1.00 32.45 O ATOM 828 ND2 ASN A 55 -13.516 4.857 -5.263 1.00 44.11 N ATOM 0 H ASN A 55 -11.612 2.707 -4.871 1.00 23.42 H new ATOM 0 HA ASN A 55 -9.725 4.029 -6.704 1.00 34.23 H new ATOM 0 HB2 ASN A 55 -11.649 5.824 -6.863 1.00 74.41 H new ATOM 0 HB3 ASN A 55 -11.635 4.453 -7.955 1.00 74.41 H new ATOM 0 HD21 ASN A 55 -14.433 4.623 -4.883 1.00 44.11 H new ATOM 0 HD22 ASN A 55 -12.901 5.493 -4.755 1.00 44.11 H new ATOM 835 N VAL A 56 -9.162 5.631 -4.907 1.00 14.54 N ATOM 836 CA VAL A 56 -8.746 6.495 -3.808 1.00 63.13 C ATOM 837 C VAL A 56 -8.129 7.788 -4.328 1.00 3.10 C ATOM 838 O VAL A 56 -7.444 7.793 -5.352 1.00 12.44 O ATOM 839 CB VAL A 56 -7.730 5.786 -2.891 1.00 53.33 C ATOM 840 CG1 VAL A 56 -7.297 6.708 -1.761 1.00 43.23 C ATOM 841 CG2 VAL A 56 -8.319 4.495 -2.342 1.00 14.12 C ATOM 0 H VAL A 56 -8.503 5.591 -5.685 1.00 14.54 H new ATOM 0 HA VAL A 56 -9.642 6.730 -3.233 1.00 63.13 H new ATOM 0 HB VAL A 56 -6.848 5.534 -3.480 1.00 53.33 H new ATOM 0 HG11 VAL A 56 -6.580 6.191 -1.124 1.00 43.23 H new ATOM 0 HG12 VAL A 56 -6.833 7.602 -2.178 1.00 43.23 H new ATOM 0 HG13 VAL A 56 -8.168 6.993 -1.170 1.00 43.23 H new ATOM 0 HG21 VAL A 56 -7.588 4.007 -1.697 1.00 14.12 H new ATOM 0 HG22 VAL A 56 -9.217 4.720 -1.767 1.00 14.12 H new ATOM 0 HG23 VAL A 56 -8.574 3.831 -3.168 1.00 14.12 H new ATOM 851 N ASP A 57 -8.374 8.883 -3.616 1.00 61.24 N ATOM 852 CA ASP A 57 -7.842 10.183 -4.005 1.00 22.33 C ATOM 853 C ASP A 57 -6.444 10.392 -3.429 1.00 64.14 C ATOM 854 O ASP A 57 -6.112 9.857 -2.371 1.00 50.55 O ATOM 855 CB ASP A 57 -8.773 11.301 -3.533 1.00 5.43 C ATOM 856 CG ASP A 57 -8.629 12.562 -4.364 1.00 74.25 C ATOM 857 OD1 ASP A 57 -9.191 12.605 -5.478 1.00 44.25 O ATOM 858 OD2 ASP A 57 -7.957 13.505 -3.898 1.00 52.52 O ATOM 0 H ASP A 57 -8.938 8.895 -2.766 1.00 61.24 H new ATOM 0 HA ASP A 57 -7.776 10.210 -5.093 1.00 22.33 H new ATOM 0 HB2 ASP A 57 -9.805 10.954 -3.579 1.00 5.43 H new ATOM 0 HB3 ASP A 57 -8.560 11.531 -2.489 1.00 5.43 H new ATOM 863 N GLU A 58 -5.630 11.171 -4.134 1.00 64.21 N ATOM 864 CA GLU A 58 -4.268 11.448 -3.694 1.00 25.43 C ATOM 865 C GLU A 58 -4.265 12.142 -2.335 1.00 62.50 C ATOM 866 O GLU A 58 -3.554 11.730 -1.417 1.00 55.51 O ATOM 867 CB GLU A 58 -3.541 12.316 -4.723 1.00 63.41 C ATOM 868 CG GLU A 58 -2.045 12.426 -4.479 1.00 62.34 C ATOM 869 CD GLU A 58 -1.302 13.010 -5.665 1.00 40.30 C ATOM 870 OE1 GLU A 58 -1.743 12.783 -6.811 1.00 62.05 O ATOM 871 OE2 GLU A 58 -0.281 13.696 -5.447 1.00 62.24 O ATOM 0 H GLU A 58 -5.890 11.621 -5.012 1.00 64.21 H new ATOM 0 HA GLU A 58 -3.745 10.496 -3.598 1.00 25.43 H new ATOM 0 HB2 GLU A 58 -3.709 11.903 -5.718 1.00 63.41 H new ATOM 0 HB3 GLU A 58 -3.976 13.315 -4.715 1.00 63.41 H new ATOM 0 HG2 GLU A 58 -1.869 13.049 -3.602 1.00 62.34 H new ATOM 0 HG3 GLU A 58 -1.644 11.438 -4.254 1.00 62.34 H new ATOM 878 N ASP A 59 -5.065 13.195 -2.214 1.00 32.25 N ATOM 879 CA ASP A 59 -5.157 13.947 -0.968 1.00 73.12 C ATOM 880 C ASP A 59 -5.531 13.031 0.193 1.00 71.24 C ATOM 881 O ASP A 59 -5.211 13.311 1.348 1.00 13.43 O ATOM 882 CB ASP A 59 -6.187 15.070 -1.099 1.00 44.30 C ATOM 883 CG ASP A 59 -6.360 15.850 0.189 1.00 52.22 C ATOM 884 OD1 ASP A 59 -5.511 16.721 0.473 1.00 72.54 O ATOM 885 OD2 ASP A 59 -7.344 15.591 0.913 1.00 22.11 O ATOM 0 H ASP A 59 -5.660 13.548 -2.964 1.00 32.25 H new ATOM 0 HA ASP A 59 -4.179 14.383 -0.763 1.00 73.12 H new ATOM 0 HB2 ASP A 59 -5.880 15.750 -1.894 1.00 44.30 H new ATOM 0 HB3 ASP A 59 -7.147 14.646 -1.395 1.00 44.30 H new ATOM 890 N LYS A 60 -6.212 11.934 -0.121 1.00 25.10 N ATOM 891 CA LYS A 60 -6.631 10.975 0.895 1.00 4.40 C ATOM 892 C LYS A 60 -5.492 10.022 1.245 1.00 31.14 C ATOM 893 O LYS A 60 -5.453 9.464 2.342 1.00 45.44 O ATOM 894 CB LYS A 60 -7.842 10.179 0.406 1.00 54.44 C ATOM 895 CG LYS A 60 -9.165 10.901 0.605 1.00 24.21 C ATOM 896 CD LYS A 60 -10.324 9.924 0.705 1.00 33.03 C ATOM 897 CE LYS A 60 -11.658 10.649 0.782 1.00 52.43 C ATOM 898 NZ LYS A 60 -12.727 9.785 1.357 1.00 42.01 N ATOM 0 H LYS A 60 -6.486 11.687 -1.072 1.00 25.10 H new ATOM 0 HA LYS A 60 -6.907 11.530 1.791 1.00 4.40 H new ATOM 0 HB2 LYS A 60 -7.716 9.955 -0.653 1.00 54.44 H new ATOM 0 HB3 LYS A 60 -7.876 9.225 0.932 1.00 54.44 H new ATOM 0 HG2 LYS A 60 -9.118 11.505 1.511 1.00 24.21 H new ATOM 0 HG3 LYS A 60 -9.336 11.585 -0.226 1.00 24.21 H new ATOM 0 HD2 LYS A 60 -10.318 9.261 -0.160 1.00 33.03 H new ATOM 0 HD3 LYS A 60 -10.198 9.297 1.588 1.00 33.03 H new ATOM 0 HE2 LYS A 60 -11.549 11.546 1.392 1.00 52.43 H new ATOM 0 HE3 LYS A 60 -11.952 10.975 -0.216 1.00 52.43 H new ATOM 0 HZ1 LYS A 60 -13.621 10.316 1.393 1.00 42.01 H new ATOM 0 HZ2 LYS A 60 -12.849 8.941 0.762 1.00 42.01 H new ATOM 0 HZ3 LYS A 60 -12.459 9.494 2.319 1.00 42.01 H new ATOM 912 N ALA A 61 -4.566 9.843 0.308 1.00 72.23 N ATOM 913 CA ALA A 61 -3.426 8.960 0.521 1.00 2.13 C ATOM 914 C ALA A 61 -2.208 9.743 0.999 1.00 14.23 C ATOM 915 O ALA A 61 -1.069 9.347 0.753 1.00 32.23 O ATOM 916 CB ALA A 61 -3.100 8.204 -0.758 1.00 62.45 C ATOM 0 H ALA A 61 -4.583 10.297 -0.605 1.00 72.23 H new ATOM 0 HA ALA A 61 -3.692 8.243 1.297 1.00 2.13 H new ATOM 0 HB1 ALA A 61 -2.247 7.548 -0.585 1.00 62.45 H new ATOM 0 HB2 ALA A 61 -3.962 7.607 -1.058 1.00 62.45 H new ATOM 0 HB3 ALA A 61 -2.858 8.914 -1.549 1.00 62.45 H new ATOM 922 N GLN A 62 -2.457 10.856 1.683 1.00 2.53 N ATOM 923 CA GLN A 62 -1.379 11.694 2.194 1.00 4.35 C ATOM 924 C GLN A 62 -0.817 11.128 3.493 1.00 31.30 C ATOM 925 O GLN A 62 0.388 10.912 3.619 1.00 43.03 O ATOM 926 CB GLN A 62 -1.879 13.123 2.421 1.00 62.25 C ATOM 927 CG GLN A 62 -2.087 13.906 1.134 1.00 24.04 C ATOM 928 CD GLN A 62 -0.789 14.441 0.561 1.00 20.43 C ATOM 929 OE1 GLN A 62 0.113 14.837 1.300 1.00 32.22 O ATOM 930 NE2 GLN A 62 -0.687 14.455 -0.762 1.00 44.34 N ATOM 0 H GLN A 62 -3.394 11.197 1.896 1.00 2.53 H new ATOM 0 HA GLN A 62 -0.582 11.708 1.451 1.00 4.35 H new ATOM 0 HB2 GLN A 62 -2.819 13.087 2.971 1.00 62.25 H new ATOM 0 HB3 GLN A 62 -1.163 13.654 3.048 1.00 62.25 H new ATOM 0 HG2 GLN A 62 -2.568 13.264 0.396 1.00 24.04 H new ATOM 0 HG3 GLN A 62 -2.766 14.737 1.324 1.00 24.04 H new ATOM 0 HE21 GLN A 62 -1.459 14.117 -1.337 1.00 44.34 H new ATOM 0 HE22 GLN A 62 0.164 14.803 -1.204 1.00 44.34 H new ATOM 939 N ASP A 63 -1.698 10.889 4.458 1.00 54.20 N ATOM 940 CA ASP A 63 -1.291 10.346 5.749 1.00 44.11 C ATOM 941 C ASP A 63 -0.559 9.019 5.573 1.00 33.33 C ATOM 942 O ASP A 63 0.233 8.618 6.427 1.00 43.42 O ATOM 943 CB ASP A 63 -2.509 10.155 6.654 1.00 0.52 C ATOM 944 CG ASP A 63 -3.077 11.473 7.146 1.00 43.24 C ATOM 945 OD1 ASP A 63 -3.703 12.189 6.336 1.00 73.41 O ATOM 946 OD2 ASP A 63 -2.895 11.787 8.341 1.00 72.32 O ATOM 0 H ASP A 63 -2.699 11.063 4.371 1.00 54.20 H new ATOM 0 HA ASP A 63 -0.610 11.057 6.216 1.00 44.11 H new ATOM 0 HB2 ASP A 63 -3.281 9.611 6.110 1.00 0.52 H new ATOM 0 HB3 ASP A 63 -2.229 9.541 7.510 1.00 0.52 H new ATOM 951 N ILE A 64 -0.831 8.341 4.463 1.00 52.40 N ATOM 952 CA ILE A 64 -0.199 7.060 4.176 1.00 75.51 C ATOM 953 C ILE A 64 1.318 7.154 4.303 1.00 11.41 C ATOM 954 O ILE A 64 1.980 7.801 3.491 1.00 53.43 O ATOM 955 CB ILE A 64 -0.555 6.560 2.765 1.00 43.44 C ATOM 956 CG1 ILE A 64 -2.074 6.501 2.589 1.00 42.15 C ATOM 957 CG2 ILE A 64 0.066 5.194 2.514 1.00 71.04 C ATOM 958 CD1 ILE A 64 -2.766 5.620 3.604 1.00 31.04 C ATOM 0 H ILE A 64 -1.485 8.658 3.748 1.00 52.40 H new ATOM 0 HA ILE A 64 -0.579 6.350 4.910 1.00 75.51 H new ATOM 0 HB ILE A 64 -0.150 7.261 2.035 1.00 43.44 H new ATOM 0 HG12 ILE A 64 -2.479 7.510 2.660 1.00 42.15 H new ATOM 0 HG13 ILE A 64 -2.302 6.136 1.588 1.00 42.15 H new ATOM 0 HG21 ILE A 64 -0.195 4.854 1.512 1.00 71.04 H new ATOM 0 HG22 ILE A 64 1.150 5.265 2.602 1.00 71.04 H new ATOM 0 HG23 ILE A 64 -0.311 4.482 3.248 1.00 71.04 H new ATOM 0 HD11 ILE A 64 -3.840 5.626 3.419 1.00 31.04 H new ATOM 0 HD12 ILE A 64 -2.389 4.601 3.519 1.00 31.04 H new ATOM 0 HD13 ILE A 64 -2.569 5.997 4.608 1.00 31.04 H new ATOM 970 N SER A 65 1.863 6.504 5.326 1.00 12.12 N ATOM 971 CA SER A 65 3.302 6.517 5.561 1.00 63.21 C ATOM 972 C SER A 65 3.859 5.097 5.594 1.00 52.31 C ATOM 973 O SER A 65 4.955 4.835 5.097 1.00 40.40 O ATOM 974 CB SER A 65 3.619 7.233 6.876 1.00 45.31 C ATOM 975 OG SER A 65 2.494 7.242 7.736 1.00 21.11 O ATOM 0 H SER A 65 1.330 5.962 6.006 1.00 12.12 H new ATOM 0 HA SER A 65 3.775 7.055 4.740 1.00 63.21 H new ATOM 0 HB2 SER A 65 4.455 6.738 7.371 1.00 45.31 H new ATOM 0 HB3 SER A 65 3.931 8.257 6.670 1.00 45.31 H new ATOM 0 HG SER A 65 1.799 7.821 7.359 1.00 21.11 H new ATOM 981 N THR A 66 3.096 4.183 6.184 1.00 71.42 N ATOM 982 CA THR A 66 3.513 2.789 6.285 1.00 52.53 C ATOM 983 C THR A 66 2.585 1.879 5.487 1.00 32.01 C ATOM 984 O THR A 66 1.484 2.279 5.106 1.00 12.54 O ATOM 985 CB THR A 66 3.542 2.316 7.749 1.00 23.34 C ATOM 986 OG1 THR A 66 2.219 2.333 8.297 1.00 61.40 O ATOM 987 CG2 THR A 66 4.454 3.201 8.586 1.00 60.03 C ATOM 0 H THR A 66 2.186 4.382 6.599 1.00 71.42 H new ATOM 0 HA THR A 66 4.520 2.730 5.872 1.00 52.53 H new ATOM 0 HB THR A 66 3.930 1.298 7.770 1.00 23.34 H new ATOM 0 HG1 THR A 66 2.247 2.029 9.228 1.00 61.40 H new ATOM 0 HG21 THR A 66 4.458 2.847 9.617 1.00 60.03 H new ATOM 0 HG22 THR A 66 5.467 3.162 8.185 1.00 60.03 H new ATOM 0 HG23 THR A 66 4.091 4.228 8.557 1.00 60.03 H new ATOM 995 N ILE A 67 3.036 0.655 5.238 1.00 41.53 N ATOM 996 CA ILE A 67 2.243 -0.312 4.487 1.00 25.21 C ATOM 997 C ILE A 67 0.842 -0.445 5.070 1.00 73.32 C ATOM 998 O ILE A 67 -0.145 -0.488 4.335 1.00 73.40 O ATOM 999 CB ILE A 67 2.915 -1.698 4.472 1.00 3.22 C ATOM 1000 CG1 ILE A 67 4.322 -1.601 3.878 1.00 73.23 C ATOM 1001 CG2 ILE A 67 2.069 -2.687 3.683 1.00 25.41 C ATOM 1002 CD1 ILE A 67 4.338 -1.167 2.429 1.00 30.42 C ATOM 0 H ILE A 67 3.945 0.309 5.544 1.00 41.53 H new ATOM 0 HA ILE A 67 2.174 0.061 3.465 1.00 25.21 H new ATOM 0 HB ILE A 67 2.998 -2.056 5.498 1.00 3.22 H new ATOM 0 HG12 ILE A 67 4.908 -0.895 4.467 1.00 73.23 H new ATOM 0 HG13 ILE A 67 4.811 -2.571 3.964 1.00 73.23 H new ATOM 0 HG21 ILE A 67 2.556 -3.662 3.681 1.00 25.41 H new ATOM 0 HG22 ILE A 67 1.085 -2.774 4.145 1.00 25.41 H new ATOM 0 HG23 ILE A 67 1.959 -2.334 2.658 1.00 25.41 H new ATOM 0 HD11 ILE A 67 5.368 -1.120 2.075 1.00 30.42 H new ATOM 0 HD12 ILE A 67 3.780 -1.885 1.828 1.00 30.42 H new ATOM 0 HD13 ILE A 67 3.878 -0.183 2.339 1.00 30.42 H new ATOM 1014 N GLN A 68 0.761 -0.508 6.395 1.00 41.04 N ATOM 1015 CA GLN A 68 -0.522 -0.635 7.077 1.00 23.22 C ATOM 1016 C GLN A 68 -1.441 0.531 6.729 1.00 3.32 C ATOM 1017 O GLN A 68 -2.612 0.334 6.403 1.00 21.12 O ATOM 1018 CB GLN A 68 -0.314 -0.703 8.591 1.00 13.31 C ATOM 1019 CG GLN A 68 -0.364 -2.116 9.149 1.00 14.22 C ATOM 1020 CD GLN A 68 -1.763 -2.534 9.557 1.00 1.01 C ATOM 1021 OE1 GLN A 68 -2.071 -2.640 10.744 1.00 23.01 O ATOM 1022 NE2 GLN A 68 -2.620 -2.773 8.571 1.00 14.21 N ATOM 0 H GLN A 68 1.568 -0.473 7.018 1.00 41.04 H new ATOM 0 HA GLN A 68 -0.994 -1.558 6.741 1.00 23.22 H new ATOM 0 HB2 GLN A 68 0.650 -0.258 8.837 1.00 13.31 H new ATOM 0 HB3 GLN A 68 -1.078 -0.100 9.082 1.00 13.31 H new ATOM 0 HG2 GLN A 68 0.015 -2.812 8.400 1.00 14.22 H new ATOM 0 HG3 GLN A 68 0.298 -2.185 10.012 1.00 14.22 H new ATOM 0 HE21 GLN A 68 -2.322 -2.673 7.601 1.00 14.21 H new ATOM 0 HE22 GLN A 68 -3.576 -3.057 8.784 1.00 14.21 H new ATOM 1031 N GLN A 69 -0.903 1.744 6.801 1.00 32.30 N ATOM 1032 CA GLN A 69 -1.676 2.942 6.494 1.00 74.33 C ATOM 1033 C GLN A 69 -2.334 2.829 5.123 1.00 4.12 C ATOM 1034 O GLN A 69 -3.509 3.156 4.959 1.00 2.22 O ATOM 1035 CB GLN A 69 -0.779 4.179 6.544 1.00 1.41 C ATOM 1036 CG GLN A 69 -0.129 4.408 7.899 1.00 63.45 C ATOM 1037 CD GLN A 69 -1.028 5.161 8.858 1.00 41.42 C ATOM 1038 OE1 GLN A 69 -2.086 5.660 8.473 1.00 22.24 O ATOM 1039 NE2 GLN A 69 -0.611 5.248 10.116 1.00 2.32 N ATOM 0 H GLN A 69 0.065 1.923 7.069 1.00 32.30 H new ATOM 0 HA GLN A 69 -2.460 3.041 7.245 1.00 74.33 H new ATOM 0 HB2 GLN A 69 0.001 4.082 5.789 1.00 1.41 H new ATOM 0 HB3 GLN A 69 -1.370 5.056 6.281 1.00 1.41 H new ATOM 0 HG2 GLN A 69 0.138 3.446 8.337 1.00 63.45 H new ATOM 0 HG3 GLN A 69 0.798 4.965 7.763 1.00 63.45 H new ATOM 0 HE21 GLN A 69 0.273 4.819 10.391 1.00 2.32 H new ATOM 0 HE22 GLN A 69 -1.174 5.743 10.807 1.00 2.32 H new ATOM 1048 N ALA A 70 -1.567 2.365 4.141 1.00 74.12 N ATOM 1049 CA ALA A 70 -2.075 2.208 2.784 1.00 75.44 C ATOM 1050 C ALA A 70 -3.126 1.104 2.717 1.00 52.44 C ATOM 1051 O ALA A 70 -4.030 1.146 1.882 1.00 71.43 O ATOM 1052 CB ALA A 70 -0.933 1.912 1.824 1.00 55.30 C ATOM 0 H ALA A 70 -0.592 2.091 4.261 1.00 74.12 H new ATOM 0 HA ALA A 70 -2.549 3.144 2.488 1.00 75.44 H new ATOM 0 HB1 ALA A 70 -1.327 1.797 0.814 1.00 55.30 H new ATOM 0 HB2 ALA A 70 -0.219 2.735 1.843 1.00 55.30 H new ATOM 0 HB3 ALA A 70 -0.434 0.991 2.126 1.00 55.30 H new ATOM 1058 N ALA A 71 -3.001 0.118 3.599 1.00 5.42 N ATOM 1059 CA ALA A 71 -3.939 -0.995 3.639 1.00 73.42 C ATOM 1060 C ALA A 71 -5.275 -0.565 4.237 1.00 53.04 C ATOM 1061 O ALA A 71 -6.338 -0.924 3.729 1.00 62.40 O ATOM 1062 CB ALA A 71 -3.352 -2.153 4.432 1.00 75.20 C ATOM 0 H ALA A 71 -2.258 0.068 4.296 1.00 5.42 H new ATOM 0 HA ALA A 71 -4.117 -1.324 2.615 1.00 73.42 H new ATOM 0 HB1 ALA A 71 -4.064 -2.978 4.453 1.00 75.20 H new ATOM 0 HB2 ALA A 71 -2.427 -2.485 3.961 1.00 75.20 H new ATOM 0 HB3 ALA A 71 -3.143 -1.827 5.451 1.00 75.20 H new ATOM 1068 N ASP A 72 -5.213 0.204 5.318 1.00 52.10 N ATOM 1069 CA ASP A 72 -6.418 0.683 5.985 1.00 54.21 C ATOM 1070 C ASP A 72 -7.337 1.400 5.000 1.00 41.00 C ATOM 1071 O ASP A 72 -8.559 1.269 5.066 1.00 24.31 O ATOM 1072 CB ASP A 72 -6.051 1.622 7.136 1.00 42.43 C ATOM 1073 CG ASP A 72 -7.264 2.068 7.929 1.00 71.33 C ATOM 1074 OD1 ASP A 72 -8.323 1.418 7.807 1.00 62.41 O ATOM 1075 OD2 ASP A 72 -7.154 3.066 8.671 1.00 34.12 O ATOM 0 H ASP A 72 -4.341 0.509 5.751 1.00 52.10 H new ATOM 0 HA ASP A 72 -6.949 -0.181 6.386 1.00 54.21 H new ATOM 0 HB2 ASP A 72 -5.350 1.119 7.802 1.00 42.43 H new ATOM 0 HB3 ASP A 72 -5.539 2.498 6.737 1.00 42.43 H new ATOM 1080 N VAL A 73 -6.739 2.160 4.087 1.00 35.42 N ATOM 1081 CA VAL A 73 -7.503 2.898 3.088 1.00 12.23 C ATOM 1082 C VAL A 73 -8.141 1.953 2.076 1.00 32.20 C ATOM 1083 O VAL A 73 -9.231 2.217 1.568 1.00 13.32 O ATOM 1084 CB VAL A 73 -6.616 3.911 2.340 1.00 31.14 C ATOM 1085 CG1 VAL A 73 -7.438 4.694 1.327 1.00 13.03 C ATOM 1086 CG2 VAL A 73 -5.933 4.849 3.323 1.00 21.31 C ATOM 0 H VAL A 73 -5.728 2.280 4.019 1.00 35.42 H new ATOM 0 HA VAL A 73 -8.286 3.436 3.622 1.00 12.23 H new ATOM 0 HB VAL A 73 -5.844 3.363 1.800 1.00 31.14 H new ATOM 0 HG11 VAL A 73 -6.795 5.405 0.808 1.00 13.03 H new ATOM 0 HG12 VAL A 73 -7.876 4.006 0.604 1.00 13.03 H new ATOM 0 HG13 VAL A 73 -8.233 5.233 1.842 1.00 13.03 H new ATOM 0 HG21 VAL A 73 -5.310 5.558 2.777 1.00 21.31 H new ATOM 0 HG22 VAL A 73 -6.688 5.392 3.892 1.00 21.31 H new ATOM 0 HG23 VAL A 73 -5.311 4.270 4.006 1.00 21.31 H new ATOM 1096 N ILE A 74 -7.456 0.852 1.789 1.00 34.23 N ATOM 1097 CA ILE A 74 -7.958 -0.134 0.840 1.00 53.50 C ATOM 1098 C ILE A 74 -9.116 -0.929 1.432 1.00 41.41 C ATOM 1099 O ILE A 74 -10.220 -0.933 0.889 1.00 75.33 O ATOM 1100 CB ILE A 74 -6.850 -1.109 0.403 1.00 25.11 C ATOM 1101 CG1 ILE A 74 -5.695 -0.346 -0.247 1.00 45.00 C ATOM 1102 CG2 ILE A 74 -7.408 -2.151 -0.555 1.00 75.22 C ATOM 1103 CD1 ILE A 74 -4.376 -1.085 -0.195 1.00 22.21 C ATOM 0 H ILE A 74 -6.552 0.620 2.200 1.00 34.23 H new ATOM 0 HA ILE A 74 -8.309 0.418 -0.032 1.00 53.50 H new ATOM 0 HB ILE A 74 -6.470 -1.622 1.287 1.00 25.11 H new ATOM 0 HG12 ILE A 74 -5.946 -0.141 -1.288 1.00 45.00 H new ATOM 0 HG13 ILE A 74 -5.582 0.618 0.250 1.00 45.00 H new ATOM 0 HG21 ILE A 74 -6.612 -2.833 -0.855 1.00 75.22 H new ATOM 0 HG22 ILE A 74 -8.200 -2.713 -0.060 1.00 75.22 H new ATOM 0 HG23 ILE A 74 -7.812 -1.655 -1.437 1.00 75.22 H new ATOM 0 HD11 ILE A 74 -3.603 -0.484 -0.674 1.00 22.21 H new ATOM 0 HD12 ILE A 74 -4.102 -1.267 0.844 1.00 22.21 H new ATOM 0 HD13 ILE A 74 -4.472 -2.037 -0.717 1.00 22.21 H new ATOM 1115 N GLU A 75 -8.856 -1.599 2.549 1.00 21.41 N ATOM 1116 CA GLU A 75 -9.878 -2.398 3.217 1.00 64.24 C ATOM 1117 C GLU A 75 -11.117 -1.559 3.511 1.00 42.41 C ATOM 1118 O GLU A 75 -12.234 -2.073 3.544 1.00 53.10 O ATOM 1119 CB GLU A 75 -9.328 -2.988 4.517 1.00 2.02 C ATOM 1120 CG GLU A 75 -8.693 -1.955 5.433 1.00 63.43 C ATOM 1121 CD GLU A 75 -9.023 -2.191 6.895 1.00 53.55 C ATOM 1122 OE1 GLU A 75 -9.432 -3.321 7.235 1.00 41.41 O ATOM 1123 OE2 GLU A 75 -8.874 -1.246 7.696 1.00 24.15 O ATOM 0 H GLU A 75 -7.947 -1.605 3.011 1.00 21.41 H new ATOM 0 HA GLU A 75 -10.161 -3.212 2.549 1.00 64.24 H new ATOM 0 HB2 GLU A 75 -10.137 -3.486 5.051 1.00 2.02 H new ATOM 0 HB3 GLU A 75 -8.588 -3.751 4.275 1.00 2.02 H new ATOM 0 HG2 GLU A 75 -7.611 -1.974 5.301 1.00 63.43 H new ATOM 0 HG3 GLU A 75 -9.032 -0.960 5.144 1.00 63.43 H new ATOM 1130 N GLY A 76 -10.911 -0.263 3.724 1.00 50.34 N ATOM 1131 CA GLY A 76 -12.020 0.627 4.014 1.00 11.42 C ATOM 1132 C GLY A 76 -13.011 0.710 2.869 1.00 32.12 C ATOM 1133 O GLY A 76 -14.217 0.822 3.090 1.00 53.24 O ATOM 0 H GLY A 76 -9.996 0.187 3.701 1.00 50.34 H new ATOM 0 HA2 GLY A 76 -12.534 0.282 4.911 1.00 11.42 H new ATOM 0 HA3 GLY A 76 -11.635 1.624 4.231 1.00 11.42 H new ATOM 1137 N LEU A 77 -12.502 0.658 1.643 1.00 21.25 N ATOM 1138 CA LEU A 77 -13.351 0.729 0.459 1.00 33.51 C ATOM 1139 C LEU A 77 -14.003 -0.620 0.175 1.00 50.42 C ATOM 1140 O LEU A 77 -15.163 -0.687 -0.234 1.00 21.43 O ATOM 1141 CB LEU A 77 -12.532 1.179 -0.752 1.00 62.04 C ATOM 1142 CG LEU A 77 -11.825 2.529 -0.621 1.00 53.22 C ATOM 1143 CD1 LEU A 77 -11.114 2.887 -1.917 1.00 32.33 C ATOM 1144 CD2 LEU A 77 -12.819 3.616 -0.238 1.00 53.20 C ATOM 0 H LEU A 77 -11.506 0.567 1.443 1.00 21.25 H new ATOM 0 HA LEU A 77 -14.138 1.458 0.649 1.00 33.51 H new ATOM 0 HB2 LEU A 77 -11.781 0.417 -0.961 1.00 62.04 H new ATOM 0 HB3 LEU A 77 -13.193 1.220 -1.617 1.00 62.04 H new ATOM 0 HG LEU A 77 -11.079 2.452 0.170 1.00 53.22 H new ATOM 0 HD11 LEU A 77 -10.617 3.850 -1.805 1.00 32.33 H new ATOM 0 HD12 LEU A 77 -10.374 2.121 -2.149 1.00 32.33 H new ATOM 0 HD13 LEU A 77 -11.841 2.946 -2.727 1.00 32.33 H new ATOM 0 HD21 LEU A 77 -12.299 4.570 -0.149 1.00 53.20 H new ATOM 0 HD22 LEU A 77 -13.588 3.693 -1.006 1.00 53.20 H new ATOM 0 HD23 LEU A 77 -13.283 3.365 0.716 1.00 53.20 H new ATOM 1156 N LEU A 78 -13.250 -1.692 0.394 1.00 74.34 N ATOM 1157 CA LEU A 78 -13.756 -3.042 0.163 1.00 11.34 C ATOM 1158 C LEU A 78 -14.919 -3.355 1.098 1.00 51.32 C ATOM 1159 O LEU A 78 -15.838 -4.089 0.736 1.00 55.33 O ATOM 1160 CB LEU A 78 -12.638 -4.067 0.361 1.00 5.23 C ATOM 1161 CG LEU A 78 -11.704 -4.280 -0.830 1.00 44.40 C ATOM 1162 CD1 LEU A 78 -10.663 -3.174 -0.897 1.00 10.33 C ATOM 1163 CD2 LEU A 78 -11.032 -5.643 -0.746 1.00 20.23 C ATOM 0 H LEU A 78 -12.288 -1.654 0.731 1.00 74.34 H new ATOM 0 HA LEU A 78 -14.115 -3.098 -0.865 1.00 11.34 H new ATOM 0 HB2 LEU A 78 -12.038 -3.759 1.217 1.00 5.23 H new ATOM 0 HB3 LEU A 78 -13.091 -5.024 0.617 1.00 5.23 H new ATOM 0 HG LEU A 78 -12.299 -4.247 -1.743 1.00 44.40 H new ATOM 0 HD11 LEU A 78 -10.007 -3.343 -1.751 1.00 10.33 H new ATOM 0 HD12 LEU A 78 -11.162 -2.211 -1.007 1.00 10.33 H new ATOM 0 HD13 LEU A 78 -10.073 -3.174 0.019 1.00 10.33 H new ATOM 0 HD21 LEU A 78 -10.371 -5.776 -1.602 1.00 20.23 H new ATOM 0 HD22 LEU A 78 -10.451 -5.706 0.174 1.00 20.23 H new ATOM 0 HD23 LEU A 78 -11.792 -6.424 -0.749 1.00 20.23 H new ATOM 1175 N GLU A 79 -14.874 -2.791 2.301 1.00 52.01 N ATOM 1176 CA GLU A 79 -15.926 -3.009 3.287 1.00 43.14 C ATOM 1177 C GLU A 79 -17.287 -2.605 2.728 1.00 60.13 C ATOM 1178 O GLU A 79 -18.283 -3.302 2.924 1.00 71.34 O ATOM 1179 CB GLU A 79 -15.632 -2.218 4.563 1.00 42.22 C ATOM 1180 CG GLU A 79 -14.624 -2.893 5.478 1.00 21.01 C ATOM 1181 CD GLU A 79 -15.261 -3.920 6.393 1.00 51.04 C ATOM 1182 OE1 GLU A 79 -15.501 -5.057 5.933 1.00 2.22 O ATOM 1183 OE2 GLU A 79 -15.522 -3.588 7.568 1.00 33.21 O ATOM 0 H GLU A 79 -14.121 -2.180 2.616 1.00 52.01 H new ATOM 0 HA GLU A 79 -15.951 -4.072 3.525 1.00 43.14 H new ATOM 0 HB2 GLU A 79 -15.259 -1.231 4.291 1.00 42.22 H new ATOM 0 HB3 GLU A 79 -16.563 -2.067 5.110 1.00 42.22 H new ATOM 0 HG2 GLU A 79 -13.857 -3.377 4.873 1.00 21.01 H new ATOM 0 HG3 GLU A 79 -14.123 -2.136 6.081 1.00 21.01 H new ATOM 1190 N LYS A 80 -17.323 -1.475 2.031 1.00 10.41 N ATOM 1191 CA LYS A 80 -18.560 -0.976 1.442 1.00 51.13 C ATOM 1192 C LYS A 80 -19.100 -1.954 0.404 1.00 51.32 C ATOM 1193 O LYS A 80 -20.311 -2.143 0.285 1.00 72.41 O ATOM 1194 CB LYS A 80 -18.327 0.392 0.798 1.00 61.24 C ATOM 1195 CG LYS A 80 -19.578 1.251 0.726 1.00 5.24 C ATOM 1196 CD LYS A 80 -20.342 1.019 -0.566 1.00 45.04 C ATOM 1197 CE LYS A 80 -19.788 1.868 -1.701 1.00 73.35 C ATOM 1198 NZ LYS A 80 -20.154 1.318 -3.035 1.00 71.22 N ATOM 0 H LYS A 80 -16.508 -0.886 1.860 1.00 10.41 H new ATOM 0 HA LYS A 80 -19.298 -0.874 2.238 1.00 51.13 H new ATOM 0 HB2 LYS A 80 -17.562 0.925 1.363 1.00 61.24 H new ATOM 0 HB3 LYS A 80 -17.936 0.248 -0.209 1.00 61.24 H new ATOM 0 HG2 LYS A 80 -20.223 1.027 1.576 1.00 5.24 H new ATOM 0 HG3 LYS A 80 -19.303 2.303 0.803 1.00 5.24 H new ATOM 0 HD2 LYS A 80 -20.287 -0.035 -0.838 1.00 45.04 H new ATOM 0 HD3 LYS A 80 -21.395 1.255 -0.414 1.00 45.04 H new ATOM 0 HE2 LYS A 80 -20.167 2.886 -1.611 1.00 73.35 H new ATOM 0 HE3 LYS A 80 -18.703 1.924 -1.617 1.00 73.35 H new ATOM 0 HZ1 LYS A 80 -19.758 1.925 -3.781 1.00 71.22 H new ATOM 0 HZ2 LYS A 80 -19.771 0.356 -3.131 1.00 71.22 H new ATOM 0 HZ3 LYS A 80 -21.190 1.289 -3.126 1.00 71.22 H new ATOM 1212 N LYS A 81 -18.195 -2.574 -0.347 1.00 33.11 N ATOM 1213 CA LYS A 81 -18.580 -3.534 -1.374 1.00 53.23 C ATOM 1214 C LYS A 81 -19.512 -4.598 -0.801 1.00 43.32 C ATOM 1215 O LYS A 81 -20.553 -4.902 -1.383 1.00 5.21 O ATOM 1216 CB LYS A 81 -17.338 -4.198 -1.972 1.00 43.41 C ATOM 1217 CG LYS A 81 -16.306 -3.206 -2.483 1.00 64.24 C ATOM 1218 CD LYS A 81 -15.175 -3.907 -3.217 1.00 63.14 C ATOM 1219 CE LYS A 81 -14.144 -2.915 -3.731 1.00 32.32 C ATOM 1220 NZ LYS A 81 -14.697 -2.049 -4.809 1.00 20.03 N ATOM 0 H LYS A 81 -17.189 -2.428 -0.263 1.00 33.11 H new ATOM 0 HA LYS A 81 -19.110 -2.995 -2.159 1.00 53.23 H new ATOM 0 HB2 LYS A 81 -16.876 -4.834 -1.216 1.00 43.41 H new ATOM 0 HB3 LYS A 81 -17.643 -4.848 -2.792 1.00 43.41 H new ATOM 0 HG2 LYS A 81 -16.787 -2.491 -3.151 1.00 64.24 H new ATOM 0 HG3 LYS A 81 -15.901 -2.638 -1.646 1.00 64.24 H new ATOM 0 HD2 LYS A 81 -14.693 -4.620 -2.548 1.00 63.14 H new ATOM 0 HD3 LYS A 81 -15.581 -4.477 -4.053 1.00 63.14 H new ATOM 0 HE2 LYS A 81 -13.797 -2.292 -2.907 1.00 32.32 H new ATOM 0 HE3 LYS A 81 -13.276 -3.456 -4.109 1.00 32.32 H new ATOM 0 HZ1 LYS A 81 -13.929 -1.494 -5.237 1.00 20.03 H new ATOM 0 HZ2 LYS A 81 -15.142 -2.643 -5.537 1.00 20.03 H new ATOM 0 HZ3 LYS A 81 -15.407 -1.404 -4.406 1.00 20.03 H new ATOM 1234 N ALA A 82 -19.130 -5.159 0.341 1.00 70.33 N ATOM 1235 CA ALA A 82 -19.934 -6.187 0.993 1.00 3.03 C ATOM 1236 C ALA A 82 -20.631 -5.634 2.232 1.00 64.55 C ATOM 1237 O ALA A 82 -21.067 -6.392 3.099 1.00 61.14 O ATOM 1238 CB ALA A 82 -19.065 -7.381 1.361 1.00 15.31 C ATOM 0 H ALA A 82 -18.270 -4.920 0.834 1.00 70.33 H new ATOM 0 HA ALA A 82 -20.702 -6.513 0.292 1.00 3.03 H new ATOM 0 HB1 ALA A 82 -19.677 -8.141 1.847 1.00 15.31 H new ATOM 0 HB2 ALA A 82 -18.618 -7.798 0.458 1.00 15.31 H new ATOM 0 HB3 ALA A 82 -18.276 -7.061 2.042 1.00 15.31 H new TER 1244 ALA A 82