USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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 20 LYS NZ :NH3+ 153:sc= 2.09 (180deg=1.04) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 1.04 USER MOD Set 2.1: A 13 TYR OH : rot -39:sc= 1.59 USER MOD Set 2.2: A 23 TYR OH : rot -30:sc= 0.943 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 163:sc= 2.41 (180deg=1.12) USER MOD Set 3.2: A 15 TYR OH : rot 30:sc= 0.969 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.24 (180deg=1.05) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 2.4 (180deg=1.97) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= 1.69 (180deg=0.0399!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -172:sc= 0 (180deg=-0.0452) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.17) USER MOD Single : A 29 ASN : amide:sc= 1.76 K(o=1.8,f=-8.3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.997) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.03) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= 1.11 (180deg=0.931) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.32 K(o=0.32,f=-7.6!) USER MOD Single : A 60 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.025) USER MOD Single : A 65 GLN : amide:sc= 1.15 K(o=1.1,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.055 -41.048 0.313 1.00 0.00 N ATOM 2 CA MET A 1 20.812 -41.117 1.564 1.00 0.00 C ATOM 3 C MET A 1 21.042 -42.560 2.069 1.00 0.00 C ATOM 4 O MET A 1 22.185 -42.960 2.299 1.00 0.00 O ATOM 5 CB MET A 1 20.096 -40.272 2.649 1.00 0.00 C ATOM 6 CG MET A 1 20.172 -38.747 2.417 1.00 0.00 C ATOM 7 SD MET A 1 19.285 -37.814 3.693 1.00 0.00 S ATOM 8 CE MET A 1 20.637 -37.422 4.832 1.00 0.00 C ATOM 0 H1 MET A 1 19.996 -40.059 -0.003 1.00 0.00 H new ATOM 0 H2 MET A 1 20.534 -41.616 -0.415 1.00 0.00 H new ATOM 0 H3 MET A 1 19.096 -41.420 0.467 1.00 0.00 H new ATOM 0 HA MET A 1 21.802 -40.710 1.359 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.048 -40.570 2.693 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.534 -40.503 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.216 -38.435 2.402 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.754 -38.509 1.439 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.249 -36.847 5.673 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.083 -38.346 5.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.394 -36.836 4.310 1.00 0.00 H new ATOM 20 N LEU A 2 19.976 -43.359 2.228 1.00 0.00 N ATOM 21 CA LEU A 2 20.065 -44.724 2.744 1.00 0.00 C ATOM 22 C LEU A 2 20.318 -45.752 1.615 1.00 0.00 C ATOM 23 O LEU A 2 19.440 -46.173 0.839 1.00 0.00 O ATOM 24 CB LEU A 2 18.831 -45.111 3.607 1.00 0.00 C ATOM 25 CG LEU A 2 18.664 -44.336 4.943 1.00 0.00 C ATOM 26 CD1 LEU A 2 17.832 -43.052 4.780 1.00 0.00 C ATOM 27 CD2 LEU A 2 18.010 -45.227 6.010 1.00 0.00 C ATOM 0 H LEU A 2 19.025 -43.070 1.999 1.00 0.00 H new ATOM 0 HA LEU A 2 20.931 -44.750 3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 2 17.933 -44.961 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.890 -46.176 3.833 1.00 0.00 H new ATOM 0 HG LEU A 2 19.667 -44.051 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 2 17.746 -42.549 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 2 18.322 -42.389 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 2 16.837 -43.307 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 2 17.902 -44.665 6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.027 -45.547 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.636 -46.102 6.187 1.00 0.00 H new ATOM 39 N GLN A 3 21.603 -46.135 1.584 1.00 0.00 N ATOM 40 CA GLN A 3 22.141 -47.156 0.687 1.00 0.00 C ATOM 41 C GLN A 3 21.380 -48.490 0.796 1.00 0.00 C ATOM 42 O GLN A 3 20.944 -49.017 -0.226 1.00 0.00 O ATOM 43 CB GLN A 3 23.653 -47.328 0.991 1.00 0.00 C ATOM 44 CG GLN A 3 24.390 -48.240 -0.031 1.00 0.00 C ATOM 45 CD GLN A 3 25.869 -48.386 0.327 1.00 0.00 C ATOM 46 OE1 GLN A 3 26.722 -47.648 -0.146 1.00 0.00 O ATOM 47 NE2 GLN A 3 26.245 -49.332 1.165 1.00 0.00 N ATOM 0 H GLN A 3 22.310 -45.731 2.198 1.00 0.00 H new ATOM 0 HA GLN A 3 22.010 -46.829 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 3 24.128 -46.347 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 3 23.769 -47.747 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 3 23.919 -49.223 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 3 24.295 -47.820 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 3 25.551 -49.959 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 3 27.230 -49.437 1.407 1.00 0.00 H new ATOM 56 N LYS A 4 21.162 -49.008 2.014 1.00 0.00 N ATOM 57 CA LYS A 4 20.339 -50.199 2.244 1.00 0.00 C ATOM 58 C LYS A 4 18.839 -50.055 1.918 1.00 0.00 C ATOM 59 O LYS A 4 18.122 -51.062 1.922 1.00 0.00 O ATOM 60 CB LYS A 4 20.558 -50.766 3.667 1.00 0.00 C ATOM 61 CG LYS A 4 21.787 -51.699 3.694 1.00 0.00 C ATOM 62 CD LYS A 4 21.735 -52.679 4.882 1.00 0.00 C ATOM 63 CE LYS A 4 22.489 -53.984 4.598 1.00 0.00 C ATOM 64 NZ LYS A 4 21.742 -54.758 3.604 1.00 0.00 N ATOM 0 H LYS A 4 21.554 -48.610 2.868 1.00 0.00 H new ATOM 0 HA LYS A 4 20.699 -50.919 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.700 -49.948 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.671 -51.313 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.838 -52.261 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.696 -51.101 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.162 -52.200 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.695 -52.907 5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.492 -53.767 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.603 -54.560 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.985 -55.765 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.722 -54.632 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.988 -54.427 2.649 1.00 0.00 H new ATOM 78 N LYS A 5 18.292 -48.860 1.666 1.00 0.00 N ATOM 79 CA LYS A 5 16.940 -48.730 1.123 1.00 0.00 C ATOM 80 C LYS A 5 16.904 -48.823 -0.405 1.00 0.00 C ATOM 81 O LYS A 5 16.063 -49.580 -0.901 1.00 0.00 O ATOM 82 CB LYS A 5 16.186 -47.541 1.732 1.00 0.00 C ATOM 83 CG LYS A 5 15.982 -47.684 3.269 1.00 0.00 C ATOM 84 CD LYS A 5 14.921 -48.724 3.728 1.00 0.00 C ATOM 85 CE LYS A 5 15.448 -50.021 4.378 1.00 0.00 C ATOM 86 NZ LYS A 5 15.792 -51.012 3.359 1.00 0.00 N ATOM 0 H LYS A 5 18.766 -47.972 1.830 1.00 0.00 H new ATOM 0 HA LYS A 5 16.370 -49.602 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.736 -46.623 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.214 -47.445 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 5 16.939 -47.950 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.702 -46.710 3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.253 -48.236 4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.319 -48.999 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.325 -49.798 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.692 -50.430 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.700 -51.968 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.149 -50.913 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.772 -50.861 3.045 1.00 0.00 H new ATOM 100 N ILE A 6 17.784 -48.152 -1.180 1.00 0.00 N ATOM 101 CA ILE A 6 17.890 -48.514 -2.612 1.00 0.00 C ATOM 102 C ILE A 6 18.457 -49.929 -2.823 1.00 0.00 C ATOM 103 O ILE A 6 17.940 -50.619 -3.701 1.00 0.00 O ATOM 104 CB ILE A 6 18.516 -47.498 -3.636 1.00 0.00 C ATOM 105 CG1 ILE A 6 19.529 -46.467 -3.086 1.00 0.00 C ATOM 106 CG2 ILE A 6 17.455 -46.869 -4.576 1.00 0.00 C ATOM 107 CD1 ILE A 6 20.972 -47.004 -3.058 1.00 0.00 C ATOM 0 H ILE A 6 18.398 -47.401 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 6 16.835 -48.470 -2.883 1.00 0.00 H new ATOM 0 HB ILE A 6 19.159 -48.139 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.493 -45.567 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 6 19.234 -46.178 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.942 -46.176 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.961 -47.656 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 6 16.715 -46.332 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.638 -46.237 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.019 -47.888 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 6 21.282 -47.268 -4.069 1.00 0.00 H new ATOM 119 N GLU A 7 19.454 -50.396 -2.046 1.00 0.00 N ATOM 120 CA GLU A 7 19.934 -51.780 -2.121 1.00 0.00 C ATOM 121 C GLU A 7 18.830 -52.774 -1.734 1.00 0.00 C ATOM 122 O GLU A 7 18.403 -53.476 -2.641 1.00 0.00 O ATOM 123 CB GLU A 7 21.262 -51.951 -1.322 1.00 0.00 C ATOM 124 CG GLU A 7 21.948 -53.362 -1.289 1.00 0.00 C ATOM 125 CD GLU A 7 21.487 -54.278 -0.148 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.649 -53.930 1.029 1.00 0.00 O ATOM 127 OE2 GLU A 7 20.973 -55.352 -0.442 1.00 0.00 O ATOM 0 H GLU A 7 19.942 -49.826 -1.356 1.00 0.00 H new ATOM 0 HA GLU A 7 20.181 -52.016 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.984 -51.242 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.068 -51.654 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.759 -53.864 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.026 -53.224 -1.211 1.00 0.00 H new ATOM 134 N GLU A 8 18.269 -52.866 -0.517 1.00 0.00 N ATOM 135 CA GLU A 8 17.303 -53.933 -0.222 1.00 0.00 C ATOM 136 C GLU A 8 15.926 -53.791 -0.893 1.00 0.00 C ATOM 137 O GLU A 8 15.267 -54.817 -1.061 1.00 0.00 O ATOM 138 CB GLU A 8 17.161 -54.176 1.298 1.00 0.00 C ATOM 139 CG GLU A 8 18.403 -54.938 1.833 1.00 0.00 C ATOM 140 CD GLU A 8 18.240 -55.520 3.234 1.00 0.00 C ATOM 141 OE1 GLU A 8 17.271 -56.251 3.474 1.00 0.00 O ATOM 142 OE2 GLU A 8 19.134 -55.267 4.045 1.00 0.00 O ATOM 0 H GLU A 8 18.462 -52.232 0.259 1.00 0.00 H new ATOM 0 HA GLU A 8 17.743 -54.816 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.056 -53.224 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.257 -54.751 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.640 -55.748 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 8 19.256 -54.260 1.833 1.00 0.00 H new ATOM 149 N GLU A 9 15.444 -52.605 -1.300 1.00 0.00 N ATOM 150 CA GLU A 9 14.221 -52.523 -2.102 1.00 0.00 C ATOM 151 C GLU A 9 14.486 -52.729 -3.603 1.00 0.00 C ATOM 152 O GLU A 9 13.852 -53.607 -4.191 1.00 0.00 O ATOM 153 CB GLU A 9 13.442 -51.228 -1.761 1.00 0.00 C ATOM 154 CG GLU A 9 12.567 -51.340 -0.461 1.00 0.00 C ATOM 155 CD GLU A 9 13.309 -51.800 0.801 1.00 0.00 C ATOM 156 OE1 GLU A 9 14.198 -51.106 1.297 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.975 -52.863 1.328 1.00 0.00 O ATOM 0 H GLU A 9 15.877 -51.706 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 9 13.571 -53.356 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.151 -50.409 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.797 -50.971 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.118 -50.367 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.750 -52.035 -0.654 1.00 0.00 H new ATOM 164 N ALA A 10 15.369 -51.968 -4.267 1.00 0.00 N ATOM 165 CA ALA A 10 15.720 -52.237 -5.668 1.00 0.00 C ATOM 166 C ALA A 10 16.709 -53.399 -5.957 1.00 0.00 C ATOM 167 O ALA A 10 16.983 -53.631 -7.136 1.00 0.00 O ATOM 168 CB ALA A 10 16.137 -50.901 -6.311 1.00 0.00 C ATOM 0 H ALA A 10 15.850 -51.166 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 10 14.824 -52.642 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.404 -51.067 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.307 -50.196 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 10 16.995 -50.492 -5.777 1.00 0.00 H new ATOM 174 N ALA A 11 17.327 -54.132 -5.014 1.00 0.00 N ATOM 175 CA ALA A 11 17.820 -55.495 -5.279 1.00 0.00 C ATOM 176 C ALA A 11 16.704 -56.549 -5.176 1.00 0.00 C ATOM 177 O ALA A 11 16.418 -57.267 -6.138 1.00 0.00 O ATOM 178 CB ALA A 11 18.997 -55.863 -4.345 1.00 0.00 C ATOM 0 H ALA A 11 17.497 -53.804 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 11 18.182 -55.498 -6.307 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.336 -56.875 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.818 -55.163 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.668 -55.811 -3.307 1.00 0.00 H new ATOM 184 N LYS A 12 16.041 -56.634 -4.014 1.00 0.00 N ATOM 185 CA LYS A 12 14.975 -57.603 -3.766 1.00 0.00 C ATOM 186 C LYS A 12 13.634 -57.152 -4.378 1.00 0.00 C ATOM 187 O LYS A 12 12.672 -56.756 -3.715 1.00 0.00 O ATOM 188 CB LYS A 12 14.866 -57.917 -2.255 1.00 0.00 C ATOM 189 CG LYS A 12 15.976 -58.867 -1.739 1.00 0.00 C ATOM 190 CD LYS A 12 15.853 -59.135 -0.221 1.00 0.00 C ATOM 191 CE LYS A 12 16.403 -57.980 0.616 1.00 0.00 C ATOM 192 NZ LYS A 12 15.966 -58.134 2.002 1.00 0.00 N ATOM 0 H LYS A 12 16.234 -56.027 -3.218 1.00 0.00 H new ATOM 0 HA LYS A 12 15.236 -58.532 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.908 -56.983 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.893 -58.365 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.923 -59.812 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.953 -58.432 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.806 -59.299 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.389 -60.050 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.492 -57.966 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.053 -57.028 0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.554 -57.538 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.971 -57.844 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.062 -59.129 2.288 1.00 0.00 H new ATOM 206 N TYR A 13 13.626 -57.277 -5.711 1.00 0.00 N ATOM 207 CA TYR A 13 12.456 -57.126 -6.586 1.00 0.00 C ATOM 208 C TYR A 13 11.192 -57.929 -6.181 1.00 0.00 C ATOM 209 O TYR A 13 10.112 -57.707 -6.730 1.00 0.00 O ATOM 210 CB TYR A 13 12.911 -57.500 -8.030 1.00 0.00 C ATOM 211 CG TYR A 13 13.496 -56.328 -8.850 1.00 0.00 C ATOM 212 CD1 TYR A 13 14.208 -55.255 -8.318 1.00 0.00 C ATOM 213 CD2 TYR A 13 13.281 -56.306 -10.220 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.662 -54.226 -9.121 1.00 0.00 C ATOM 215 CE2 TYR A 13 13.733 -55.276 -11.023 1.00 0.00 C ATOM 216 CZ TYR A 13 14.418 -54.230 -10.469 1.00 0.00 C ATOM 217 OH TYR A 13 14.792 -53.177 -11.241 1.00 0.00 O ATOM 0 H TYR A 13 14.474 -57.496 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 13 12.127 -56.090 -6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.660 -58.290 -7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.058 -57.912 -8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.409 -55.227 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.741 -57.123 -10.676 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.215 -53.410 -8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.546 -55.297 -12.086 1.00 0.00 H new ATOM 0 HH TYR A 13 14.626 -52.341 -10.757 1.00 0.00 H new ATOM 227 N LYS A 14 11.318 -58.879 -5.242 1.00 0.00 N ATOM 228 CA LYS A 14 10.203 -59.470 -4.496 1.00 0.00 C ATOM 229 C LYS A 14 9.414 -58.441 -3.654 1.00 0.00 C ATOM 230 O LYS A 14 8.216 -58.636 -3.433 1.00 0.00 O ATOM 231 CB LYS A 14 10.749 -60.597 -3.575 1.00 0.00 C ATOM 232 CG LYS A 14 11.431 -61.786 -4.302 1.00 0.00 C ATOM 233 CD LYS A 14 10.457 -62.644 -5.138 1.00 0.00 C ATOM 234 CE LYS A 14 11.181 -63.814 -5.797 1.00 0.00 C ATOM 235 NZ LYS A 14 10.198 -64.557 -6.571 1.00 0.00 N ATOM 0 H LYS A 14 12.223 -59.266 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 14 9.502 -59.871 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.467 -60.159 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.924 -60.985 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.214 -61.400 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.918 -62.422 -3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.659 -63.020 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.988 -62.025 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.984 -63.454 -6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.639 -64.455 -5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.660 -65.365 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.448 -64.903 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.782 -63.935 -7.293 1.00 0.00 H new ATOM 249 N TYR A 15 10.017 -57.332 -3.184 1.00 0.00 N ATOM 250 CA TYR A 15 9.282 -56.230 -2.543 1.00 0.00 C ATOM 251 C TYR A 15 8.663 -55.307 -3.626 1.00 0.00 C ATOM 252 O TYR A 15 8.888 -54.093 -3.688 1.00 0.00 O ATOM 253 CB TYR A 15 10.224 -55.425 -1.595 1.00 0.00 C ATOM 254 CG TYR A 15 11.008 -56.241 -0.548 1.00 0.00 C ATOM 255 CD1 TYR A 15 10.592 -57.449 -0.003 1.00 0.00 C ATOM 256 CD2 TYR A 15 12.216 -55.745 -0.099 1.00 0.00 C ATOM 257 CE1 TYR A 15 11.358 -58.121 0.938 1.00 0.00 C ATOM 258 CE2 TYR A 15 12.983 -56.402 0.835 1.00 0.00 C ATOM 259 CZ TYR A 15 12.561 -57.594 1.354 1.00 0.00 C ATOM 260 OH TYR A 15 13.367 -58.243 2.243 1.00 0.00 O ATOM 0 H TYR A 15 11.024 -57.177 -3.239 1.00 0.00 H new ATOM 0 HA TYR A 15 8.474 -56.645 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 15 10.941 -54.880 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.625 -54.682 -1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.651 -57.875 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 15 12.572 -54.806 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 15 11.011 -59.059 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.921 -55.975 1.159 1.00 0.00 H new ATOM 0 HH TYR A 15 13.245 -59.211 2.149 1.00 0.00 H new ATOM 270 N ALA A 16 7.797 -55.931 -4.437 1.00 0.00 N ATOM 271 CA ALA A 16 7.399 -55.473 -5.772 1.00 0.00 C ATOM 272 C ALA A 16 6.830 -54.043 -5.885 1.00 0.00 C ATOM 273 O ALA A 16 7.344 -53.240 -6.677 1.00 0.00 O ATOM 274 CB ALA A 16 6.408 -56.511 -6.340 1.00 0.00 C ATOM 0 H ALA A 16 7.338 -56.802 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 16 8.317 -55.401 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.089 -56.203 -7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.895 -57.484 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.539 -56.580 -5.686 1.00 0.00 H new ATOM 280 N MET A 17 5.792 -53.734 -5.097 1.00 0.00 N ATOM 281 CA MET A 17 5.166 -52.410 -5.038 1.00 0.00 C ATOM 282 C MET A 17 6.082 -51.344 -4.400 1.00 0.00 C ATOM 283 O MET A 17 6.058 -50.179 -4.798 1.00 0.00 O ATOM 284 CB MET A 17 3.827 -52.557 -4.256 1.00 0.00 C ATOM 285 CG MET A 17 2.920 -51.296 -4.184 1.00 0.00 C ATOM 286 SD MET A 17 2.249 -50.751 -5.780 1.00 0.00 S ATOM 287 CE MET A 17 2.978 -49.099 -5.931 1.00 0.00 C ATOM 0 H MET A 17 5.357 -54.412 -4.471 1.00 0.00 H new ATOM 0 HA MET A 17 4.980 -52.054 -6.051 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.253 -53.364 -4.712 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.060 -52.868 -3.237 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.090 -51.500 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.493 -50.478 -3.748 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.544 -48.587 -6.790 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.773 -48.527 -5.026 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.056 -49.188 -6.068 1.00 0.00 H new ATOM 297 N LEU A 18 6.934 -51.739 -3.447 1.00 0.00 N ATOM 298 CA LEU A 18 7.819 -50.824 -2.721 1.00 0.00 C ATOM 299 C LEU A 18 9.067 -50.456 -3.538 1.00 0.00 C ATOM 300 O LEU A 18 9.516 -49.309 -3.526 1.00 0.00 O ATOM 301 CB LEU A 18 8.172 -51.450 -1.347 1.00 0.00 C ATOM 302 CG LEU A 18 6.928 -51.824 -0.498 1.00 0.00 C ATOM 303 CD1 LEU A 18 7.353 -52.516 0.802 1.00 0.00 C ATOM 304 CD2 LEU A 18 6.055 -50.595 -0.186 1.00 0.00 C ATOM 0 H LEU A 18 7.029 -52.712 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 18 7.298 -49.882 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.774 -52.344 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.788 -50.748 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 18 6.327 -52.514 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.468 -52.771 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.907 -53.425 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.987 -51.845 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.195 -50.901 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.641 -49.864 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.710 -50.148 -1.118 1.00 0.00 H new ATOM 316 N LYS A 19 9.618 -51.428 -4.270 1.00 0.00 N ATOM 317 CA LYS A 19 10.548 -51.158 -5.363 1.00 0.00 C ATOM 318 C LYS A 19 9.894 -50.353 -6.510 1.00 0.00 C ATOM 319 O LYS A 19 10.558 -49.511 -7.116 1.00 0.00 O ATOM 320 CB LYS A 19 11.060 -52.554 -5.835 1.00 0.00 C ATOM 321 CG LYS A 19 11.796 -52.663 -7.198 1.00 0.00 C ATOM 322 CD LYS A 19 10.909 -52.895 -8.458 1.00 0.00 C ATOM 323 CE LYS A 19 10.190 -54.248 -8.525 1.00 0.00 C ATOM 324 NZ LYS A 19 8.774 -54.013 -8.781 1.00 0.00 N ATOM 0 H LYS A 19 9.431 -52.420 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 19 11.373 -50.528 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.732 -52.935 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.202 -53.225 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.369 -51.748 -7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.514 -53.481 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.161 -52.104 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.535 -52.793 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.619 -54.865 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.320 -54.792 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.292 -54.923 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.350 -53.526 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.668 -53.422 -9.630 1.00 0.00 H new ATOM 338 N LYS A 20 8.621 -50.577 -6.877 1.00 0.00 N ATOM 339 CA LYS A 20 7.944 -49.708 -7.846 1.00 0.00 C ATOM 340 C LYS A 20 7.714 -48.288 -7.264 1.00 0.00 C ATOM 341 O LYS A 20 7.767 -47.321 -8.025 1.00 0.00 O ATOM 342 CB LYS A 20 6.635 -50.393 -8.331 1.00 0.00 C ATOM 343 CG LYS A 20 6.188 -49.951 -9.746 1.00 0.00 C ATOM 344 CD LYS A 20 5.114 -48.838 -9.766 1.00 0.00 C ATOM 345 CE LYS A 20 5.092 -48.104 -11.110 1.00 0.00 C ATOM 346 NZ LYS A 20 6.137 -47.086 -11.064 1.00 0.00 N ATOM 0 H LYS A 20 8.049 -51.343 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 20 8.581 -49.566 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.778 -51.474 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.836 -50.173 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.062 -49.603 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.801 -50.820 -10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.134 -49.273 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.311 -48.126 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.268 -48.799 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.118 -47.647 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.471 -46.887 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.755 -46.215 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.931 -47.430 -10.487 1.00 0.00 H new ATOM 360 N CYS A 21 7.492 -48.124 -5.943 1.00 0.00 N ATOM 361 CA CYS A 21 7.532 -46.821 -5.259 1.00 0.00 C ATOM 362 C CYS A 21 8.917 -46.119 -5.319 1.00 0.00 C ATOM 363 O CYS A 21 8.981 -44.900 -5.524 1.00 0.00 O ATOM 364 CB CYS A 21 7.069 -47.048 -3.811 1.00 0.00 C ATOM 365 SG CYS A 21 6.595 -45.540 -2.934 1.00 0.00 S ATOM 0 H CYS A 21 7.278 -48.902 -5.318 1.00 0.00 H new ATOM 0 HA CYS A 21 6.865 -46.133 -5.779 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.221 -47.732 -3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.871 -47.538 -3.259 1.00 0.00 H new ATOM 370 N CYS A 22 10.023 -46.882 -5.177 1.00 0.00 N ATOM 371 CA CYS A 22 11.372 -46.476 -5.624 1.00 0.00 C ATOM 372 C CYS A 22 11.326 -45.883 -7.021 1.00 0.00 C ATOM 373 O CYS A 22 11.698 -44.731 -7.240 1.00 0.00 O ATOM 374 CB CYS A 22 12.358 -47.663 -5.512 1.00 0.00 C ATOM 375 SG CYS A 22 14.087 -47.228 -5.183 1.00 0.00 S ATOM 0 H CYS A 22 10.003 -47.806 -4.745 1.00 0.00 H new ATOM 0 HA CYS A 22 11.741 -45.690 -4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.012 -48.324 -4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.317 -48.233 -6.440 1.00 0.00 H new ATOM 380 N TYR A 23 10.803 -46.650 -7.954 1.00 0.00 N ATOM 381 CA TYR A 23 10.814 -46.228 -9.336 1.00 0.00 C ATOM 382 C TYR A 23 9.820 -45.082 -9.659 1.00 0.00 C ATOM 383 O TYR A 23 10.059 -44.317 -10.595 1.00 0.00 O ATOM 384 CB TYR A 23 10.790 -47.510 -10.146 1.00 0.00 C ATOM 385 CG TYR A 23 11.990 -48.450 -9.814 1.00 0.00 C ATOM 386 CD1 TYR A 23 13.111 -48.189 -8.982 1.00 0.00 C ATOM 387 CD2 TYR A 23 12.010 -49.625 -10.537 1.00 0.00 C ATOM 388 CE1 TYR A 23 14.191 -49.057 -8.979 1.00 0.00 C ATOM 389 CE2 TYR A 23 13.087 -50.484 -10.521 1.00 0.00 C ATOM 390 CZ TYR A 23 14.182 -50.195 -9.753 1.00 0.00 C ATOM 391 OH TYR A 23 15.255 -51.033 -9.802 1.00 0.00 O ATOM 0 H TYR A 23 10.370 -47.558 -7.783 1.00 0.00 H new ATOM 0 HA TYR A 23 11.715 -45.688 -9.626 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.856 -48.038 -9.956 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.808 -47.265 -11.208 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.122 -47.313 -8.351 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.150 -49.881 -11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.050 -48.838 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.067 -51.386 -11.115 1.00 0.00 H new ATOM 0 HH TYR A 23 16.078 -50.520 -9.660 1.00 0.00 H new ATOM 401 N ASP A 24 8.758 -44.903 -8.847 1.00 0.00 N ATOM 402 CA ASP A 24 7.999 -43.642 -8.750 1.00 0.00 C ATOM 403 C ASP A 24 8.858 -42.432 -8.341 1.00 0.00 C ATOM 404 O ASP A 24 8.646 -41.338 -8.867 1.00 0.00 O ATOM 405 CB ASP A 24 6.766 -43.761 -7.805 1.00 0.00 C ATOM 406 CG ASP A 24 5.759 -44.826 -8.247 1.00 0.00 C ATOM 407 OD1 ASP A 24 5.616 -45.092 -9.448 1.00 0.00 O ATOM 408 OD2 ASP A 24 5.112 -45.391 -7.372 1.00 0.00 O ATOM 0 H ASP A 24 8.401 -45.637 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 24 7.645 -43.459 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.111 -43.994 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.263 -42.795 -7.754 1.00 0.00 H new ATOM 413 N GLY A 25 9.793 -42.608 -7.396 1.00 0.00 N ATOM 414 CA GLY A 25 10.854 -41.622 -7.135 1.00 0.00 C ATOM 415 C GLY A 25 11.844 -41.421 -8.290 1.00 0.00 C ATOM 416 O GLY A 25 12.190 -40.281 -8.605 1.00 0.00 O ATOM 0 H GLY A 25 9.836 -43.431 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.390 -40.664 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.409 -41.932 -6.249 1.00 0.00 H new ATOM 420 N ALA A 26 12.300 -42.523 -8.906 1.00 0.00 N ATOM 421 CA ALA A 26 13.208 -42.490 -10.060 1.00 0.00 C ATOM 422 C ALA A 26 12.626 -41.823 -11.326 1.00 0.00 C ATOM 423 O ALA A 26 13.410 -41.379 -12.172 1.00 0.00 O ATOM 424 CB ALA A 26 13.729 -43.900 -10.388 1.00 0.00 C ATOM 0 H ALA A 26 12.047 -43.467 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 26 14.035 -41.851 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.399 -43.850 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.269 -44.297 -9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.888 -44.553 -10.622 1.00 0.00 H new ATOM 430 N TYR A 27 11.296 -41.745 -11.524 1.00 0.00 N ATOM 431 CA TYR A 27 10.716 -40.782 -12.476 1.00 0.00 C ATOM 432 C TYR A 27 11.031 -39.324 -12.045 1.00 0.00 C ATOM 433 O TYR A 27 10.269 -38.681 -11.313 1.00 0.00 O ATOM 434 CB TYR A 27 9.167 -40.931 -12.638 1.00 0.00 C ATOM 435 CG TYR A 27 8.620 -42.345 -12.899 1.00 0.00 C ATOM 436 CD1 TYR A 27 9.270 -43.318 -13.646 1.00 0.00 C ATOM 437 CD2 TYR A 27 7.408 -42.695 -12.331 1.00 0.00 C ATOM 438 CE1 TYR A 27 8.737 -44.587 -13.795 1.00 0.00 C ATOM 439 CE2 TYR A 27 6.870 -43.955 -12.473 1.00 0.00 C ATOM 440 CZ TYR A 27 7.538 -44.904 -13.198 1.00 0.00 C ATOM 441 OH TYR A 27 7.022 -46.162 -13.262 1.00 0.00 O ATOM 0 H TYR A 27 10.612 -42.330 -11.044 1.00 0.00 H new ATOM 0 HA TYR A 27 11.177 -41.005 -13.438 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.694 -40.548 -11.734 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.850 -40.289 -13.460 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.211 -43.080 -14.121 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.867 -41.957 -11.758 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.262 -45.328 -14.380 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.922 -44.194 -12.013 1.00 0.00 H new ATOM 0 HH TYR A 27 7.753 -46.813 -13.320 1.00 0.00 H new ATOM 451 N ARG A 28 12.213 -38.823 -12.432 1.00 0.00 N ATOM 452 CA ARG A 28 12.601 -37.419 -12.257 1.00 0.00 C ATOM 453 C ARG A 28 11.697 -36.427 -13.029 1.00 0.00 C ATOM 454 O ARG A 28 11.694 -36.352 -14.261 1.00 0.00 O ATOM 455 CB ARG A 28 14.093 -37.284 -12.673 1.00 0.00 C ATOM 456 CG ARG A 28 14.806 -35.928 -12.395 1.00 0.00 C ATOM 457 CD ARG A 28 14.784 -35.423 -10.932 1.00 0.00 C ATOM 458 NE ARG A 28 13.746 -34.397 -10.824 1.00 0.00 N ATOM 459 CZ ARG A 28 13.380 -33.781 -9.735 1.00 0.00 C ATOM 460 NH1 ARG A 28 14.011 -33.770 -8.625 1.00 0.00 N ATOM 461 NH2 ARG A 28 12.335 -33.064 -9.838 1.00 0.00 N ATOM 0 H ARG A 28 12.933 -39.389 -12.880 1.00 0.00 H new ATOM 0 HA ARG A 28 12.469 -37.148 -11.210 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.654 -38.068 -12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.162 -37.485 -13.742 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.846 -36.019 -12.709 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.348 -35.166 -13.026 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.579 -36.246 -10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.755 -35.013 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 28 13.262 -34.139 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.891 -34.278 -8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.635 -33.253 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.845 -33.002 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.987 -32.551 -9.028 1.00 0.00 H new ATOM 475 N ASN A 29 10.879 -35.694 -12.262 1.00 0.00 N ATOM 476 CA ASN A 29 10.092 -34.560 -12.755 1.00 0.00 C ATOM 477 C ASN A 29 10.980 -33.343 -13.116 1.00 0.00 C ATOM 478 O ASN A 29 12.059 -33.145 -12.552 1.00 0.00 O ATOM 479 CB ASN A 29 9.057 -34.211 -11.636 1.00 0.00 C ATOM 480 CG ASN A 29 8.214 -32.963 -11.925 1.00 0.00 C ATOM 481 OD1 ASN A 29 8.647 -31.839 -11.687 1.00 0.00 O ATOM 482 ND2 ASN A 29 6.995 -33.065 -12.412 1.00 0.00 N ATOM 0 H ASN A 29 10.745 -35.876 -11.267 1.00 0.00 H new ATOM 0 HA ASN A 29 9.584 -34.826 -13.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.390 -35.062 -11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.590 -34.066 -10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.441 -32.225 -12.580 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.605 -33.984 -12.621 1.00 0.00 H new ATOM 489 N ASP A 30 10.480 -32.503 -14.028 1.00 0.00 N ATOM 490 CA ASP A 30 11.088 -31.234 -14.444 1.00 0.00 C ATOM 491 C ASP A 30 11.428 -30.245 -13.302 1.00 0.00 C ATOM 492 O ASP A 30 12.578 -29.805 -13.215 1.00 0.00 O ATOM 493 CB ASP A 30 10.138 -30.571 -15.502 1.00 0.00 C ATOM 494 CG ASP A 30 8.665 -30.589 -15.076 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.047 -31.651 -15.186 1.00 0.00 O ATOM 496 OD2 ASP A 30 8.164 -29.575 -14.606 1.00 0.00 O ATOM 0 H ASP A 30 9.606 -32.696 -14.516 1.00 0.00 H new ATOM 0 HA ASP A 30 12.064 -31.474 -14.867 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.450 -29.540 -15.668 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.242 -31.092 -16.454 1.00 0.00 H new ATOM 501 N ASP A 31 10.498 -29.924 -12.390 1.00 0.00 N ATOM 502 CA ASP A 31 10.668 -28.843 -11.408 1.00 0.00 C ATOM 503 C ASP A 31 10.259 -29.180 -9.955 1.00 0.00 C ATOM 504 O ASP A 31 10.705 -28.477 -9.045 1.00 0.00 O ATOM 505 CB ASP A 31 9.883 -27.587 -11.903 1.00 0.00 C ATOM 506 CG ASP A 31 10.604 -26.865 -13.039 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.435 -26.010 -12.744 1.00 0.00 O ATOM 508 OD2 ASP A 31 10.319 -27.145 -14.201 1.00 0.00 O ATOM 0 H ASP A 31 9.604 -30.409 -12.313 1.00 0.00 H new ATOM 0 HA ASP A 31 11.741 -28.662 -11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.891 -27.890 -12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.741 -26.898 -11.070 1.00 0.00 H new ATOM 513 N GLU A 32 9.415 -30.190 -9.682 1.00 0.00 N ATOM 514 CA GLU A 32 9.002 -30.560 -8.317 1.00 0.00 C ATOM 515 C GLU A 32 10.112 -31.207 -7.454 1.00 0.00 C ATOM 516 O GLU A 32 11.092 -31.765 -7.966 1.00 0.00 O ATOM 517 CB GLU A 32 7.796 -31.528 -8.383 1.00 0.00 C ATOM 518 CG GLU A 32 6.516 -30.909 -9.017 1.00 0.00 C ATOM 519 CD GLU A 32 5.396 -31.942 -9.134 1.00 0.00 C ATOM 520 OE1 GLU A 32 5.351 -32.658 -10.135 1.00 0.00 O ATOM 521 OE2 GLU A 32 4.586 -32.036 -8.209 1.00 0.00 O ATOM 0 H GLU A 32 8.998 -30.776 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 32 8.743 -29.620 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.083 -32.409 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.561 -31.867 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.177 -30.070 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.752 -30.513 -10.005 1.00 0.00 H new ATOM 528 N THR A 33 9.957 -31.172 -6.122 1.00 0.00 N ATOM 529 CA THR A 33 10.910 -31.837 -5.217 1.00 0.00 C ATOM 530 C THR A 33 10.346 -33.115 -4.557 1.00 0.00 C ATOM 531 O THR A 33 9.133 -33.323 -4.441 1.00 0.00 O ATOM 532 CB THR A 33 11.553 -30.853 -4.202 1.00 0.00 C ATOM 533 OG1 THR A 33 12.539 -31.549 -3.453 1.00 0.00 O ATOM 534 CG2 THR A 33 10.621 -30.239 -3.165 1.00 0.00 C ATOM 0 H THR A 33 9.189 -30.695 -5.650 1.00 0.00 H new ATOM 0 HA THR A 33 11.724 -32.188 -5.852 1.00 0.00 H new ATOM 0 HB THR A 33 11.927 -30.041 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.953 -30.937 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.188 -29.572 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.837 -29.675 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.171 -31.031 -2.566 1.00 0.00 H new ATOM 542 N CYS A 34 11.276 -33.949 -4.073 1.00 0.00 N ATOM 543 CA CYS A 34 11.051 -35.351 -3.701 1.00 0.00 C ATOM 544 C CYS A 34 10.026 -35.557 -2.571 1.00 0.00 C ATOM 545 O CYS A 34 9.045 -36.287 -2.723 1.00 0.00 O ATOM 546 CB CYS A 34 12.402 -35.995 -3.284 1.00 0.00 C ATOM 547 SG CYS A 34 13.690 -36.002 -4.558 1.00 0.00 S ATOM 0 H CYS A 34 12.241 -33.654 -3.925 1.00 0.00 H new ATOM 0 HA CYS A 34 10.630 -35.831 -4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.782 -35.465 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.214 -37.024 -2.976 1.00 0.00 H new ATOM 552 N GLU A 35 10.266 -34.891 -1.437 1.00 0.00 N ATOM 553 CA GLU A 35 9.416 -34.968 -0.250 1.00 0.00 C ATOM 554 C GLU A 35 8.078 -34.204 -0.399 1.00 0.00 C ATOM 555 O GLU A 35 7.150 -34.437 0.368 1.00 0.00 O ATOM 556 CB GLU A 35 10.285 -34.479 0.940 1.00 0.00 C ATOM 557 CG GLU A 35 9.648 -34.707 2.344 1.00 0.00 C ATOM 558 CD GLU A 35 10.663 -34.533 3.474 1.00 0.00 C ATOM 559 OE1 GLU A 35 10.825 -33.418 3.960 1.00 0.00 O ATOM 560 OE2 GLU A 35 11.271 -35.537 3.858 1.00 0.00 O ATOM 0 H GLU A 35 11.070 -34.274 -1.319 1.00 0.00 H new ATOM 0 HA GLU A 35 9.087 -35.993 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.247 -34.990 0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.484 -33.415 0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.825 -34.006 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.224 -35.710 2.390 1.00 0.00 H new ATOM 567 N GLU A 36 7.937 -33.303 -1.378 1.00 0.00 N ATOM 568 CA GLU A 36 6.661 -32.686 -1.769 1.00 0.00 C ATOM 569 C GLU A 36 5.765 -33.695 -2.527 1.00 0.00 C ATOM 570 O GLU A 36 4.585 -33.911 -2.202 1.00 0.00 O ATOM 571 CB GLU A 36 7.063 -31.470 -2.636 1.00 0.00 C ATOM 572 CG GLU A 36 5.945 -30.647 -3.344 1.00 0.00 C ATOM 573 CD GLU A 36 6.532 -29.681 -4.384 1.00 0.00 C ATOM 574 OE1 GLU A 36 7.408 -30.081 -5.161 1.00 0.00 O ATOM 575 OE2 GLU A 36 6.107 -28.531 -4.403 1.00 0.00 O ATOM 0 H GLU A 36 8.725 -32.974 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 36 6.062 -32.375 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.625 -30.785 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.748 -31.826 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.245 -31.326 -3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.380 -30.084 -2.601 1.00 0.00 H new ATOM 582 N ARG A 37 6.366 -34.331 -3.550 1.00 0.00 N ATOM 583 CA ARG A 37 5.767 -35.482 -4.227 1.00 0.00 C ATOM 584 C ARG A 37 5.435 -36.604 -3.240 1.00 0.00 C ATOM 585 O ARG A 37 4.300 -37.073 -3.225 1.00 0.00 O ATOM 586 CB ARG A 37 6.678 -36.033 -5.345 1.00 0.00 C ATOM 587 CG ARG A 37 6.891 -35.054 -6.516 1.00 0.00 C ATOM 588 CD ARG A 37 7.338 -35.776 -7.790 1.00 0.00 C ATOM 589 NE ARG A 37 8.651 -36.394 -7.596 1.00 0.00 N ATOM 590 CZ ARG A 37 9.258 -37.163 -8.461 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.776 -37.472 -9.606 1.00 0.00 N ATOM 592 NH2 ARG A 37 10.401 -37.645 -8.169 1.00 0.00 N ATOM 0 H ARG A 37 7.275 -34.059 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 37 4.843 -35.124 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.647 -36.289 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.246 -36.956 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.964 -34.514 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.640 -34.312 -6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.607 -36.539 -8.058 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.381 -35.070 -8.619 1.00 0.00 H new ATOM 0 HE ARG A 37 9.131 -36.210 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.865 -37.112 -9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.303 -38.078 -10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.831 -37.429 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.886 -38.247 -8.835 1.00 0.00 H new ATOM 606 N ALA A 38 6.376 -37.033 -2.396 1.00 0.00 N ATOM 607 CA ALA A 38 6.107 -38.076 -1.415 1.00 0.00 C ATOM 608 C ALA A 38 5.594 -37.612 -0.027 1.00 0.00 C ATOM 609 O ALA A 38 5.579 -38.379 0.935 1.00 0.00 O ATOM 610 CB ALA A 38 7.294 -39.019 -1.445 1.00 0.00 C ATOM 0 H ALA A 38 7.330 -36.672 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 38 5.212 -38.629 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.139 -39.822 -0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.396 -39.443 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.201 -38.471 -1.189 1.00 0.00 H new ATOM 616 N ALA A 39 5.199 -36.341 0.136 1.00 0.00 N ATOM 617 CA ALA A 39 4.067 -35.974 0.991 1.00 0.00 C ATOM 618 C ALA A 39 2.718 -36.367 0.360 1.00 0.00 C ATOM 619 O ALA A 39 1.798 -36.763 1.078 1.00 0.00 O ATOM 620 CB ALA A 39 4.094 -34.461 1.287 1.00 0.00 C ATOM 0 H ALA A 39 5.652 -35.547 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 39 4.167 -36.528 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.248 -34.200 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.023 -34.206 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.029 -33.906 0.351 1.00 0.00 H new ATOM 626 N ARG A 40 2.563 -36.222 -0.968 1.00 0.00 N ATOM 627 CA ARG A 40 1.404 -36.792 -1.675 1.00 0.00 C ATOM 628 C ARG A 40 1.412 -38.343 -1.766 1.00 0.00 C ATOM 629 O ARG A 40 0.363 -38.958 -1.541 1.00 0.00 O ATOM 630 CB ARG A 40 1.261 -36.120 -3.063 1.00 0.00 C ATOM 631 CG ARG A 40 0.825 -34.638 -2.952 1.00 0.00 C ATOM 632 CD ARG A 40 0.945 -33.886 -4.283 1.00 0.00 C ATOM 633 NE ARG A 40 2.355 -33.576 -4.520 1.00 0.00 N ATOM 634 CZ ARG A 40 2.840 -33.095 -5.630 1.00 0.00 C ATOM 635 NH1 ARG A 40 2.174 -32.860 -6.695 1.00 0.00 N ATOM 636 NH2 ARG A 40 4.079 -32.840 -5.707 1.00 0.00 N ATOM 0 H ARG A 40 3.218 -35.720 -1.567 1.00 0.00 H new ATOM 0 HA ARG A 40 0.521 -36.568 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.212 -36.179 -3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.530 -36.669 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.207 -34.592 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.437 -34.139 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.549 -34.493 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.356 -32.969 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 40 3.009 -33.750 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.172 -33.051 -6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.644 -32.481 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.686 -33.011 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.469 -32.463 -6.571 1.00 0.00 H new ATOM 650 N ILE A 41 2.528 -39.005 -2.119 1.00 0.00 N ATOM 651 CA ILE A 41 2.735 -40.458 -2.002 1.00 0.00 C ATOM 652 C ILE A 41 2.929 -40.929 -0.540 1.00 0.00 C ATOM 653 O ILE A 41 3.999 -41.056 0.055 1.00 0.00 O ATOM 654 CB ILE A 41 3.814 -41.023 -2.982 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.456 -40.728 -4.455 1.00 0.00 C ATOM 656 CG2 ILE A 41 4.006 -42.512 -2.872 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.343 -39.602 -4.908 1.00 0.00 C ATOM 0 H ILE A 41 3.340 -38.525 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 41 1.797 -40.904 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 41 4.734 -40.517 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.610 -41.612 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.406 -40.452 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.769 -42.834 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.322 -42.764 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.067 -43.018 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.122 -39.361 -5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.164 -38.725 -4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.387 -39.903 -4.819 1.00 0.00 H new ATOM 669 N LYS A 42 1.731 -41.200 -0.045 1.00 0.00 N ATOM 670 CA LYS A 42 1.417 -41.581 1.339 1.00 0.00 C ATOM 671 C LYS A 42 1.468 -43.088 1.667 1.00 0.00 C ATOM 672 O LYS A 42 1.384 -43.449 2.841 1.00 0.00 O ATOM 673 CB LYS A 42 -0.011 -41.065 1.661 1.00 0.00 C ATOM 674 CG LYS A 42 -0.110 -39.527 1.747 1.00 0.00 C ATOM 675 CD LYS A 42 -1.560 -39.003 1.878 1.00 0.00 C ATOM 676 CE LYS A 42 -2.455 -39.176 0.636 1.00 0.00 C ATOM 677 NZ LYS A 42 -1.927 -38.380 -0.467 1.00 0.00 N ATOM 0 H LYS A 42 0.895 -41.160 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 42 2.202 -41.132 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.698 -41.422 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.338 -41.495 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.470 -39.182 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.345 -39.092 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.035 -39.512 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.521 -37.943 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.498 -40.227 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.475 -38.866 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.656 -38.278 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.654 -37.440 -0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.094 -38.855 -0.870 1.00 0.00 H new ATOM 691 N ILE A 43 1.644 -43.964 0.666 1.00 0.00 N ATOM 692 CA ILE A 43 1.229 -45.379 0.704 1.00 0.00 C ATOM 693 C ILE A 43 1.861 -46.235 1.829 1.00 0.00 C ATOM 694 O ILE A 43 1.157 -47.056 2.423 1.00 0.00 O ATOM 695 CB ILE A 43 1.440 -46.002 -0.726 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.717 -45.236 -1.883 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.113 -47.514 -0.833 1.00 0.00 C ATOM 698 CD1 ILE A 43 -0.824 -45.113 -1.784 1.00 0.00 C ATOM 0 H ILE A 43 2.089 -43.704 -0.214 1.00 0.00 H new ATOM 0 HA ILE A 43 0.172 -45.393 0.971 1.00 0.00 H new ATOM 0 HB ILE A 43 2.515 -45.882 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.135 -44.231 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.958 -45.733 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.288 -47.853 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.752 -48.074 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.068 -47.680 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.201 -44.562 -2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.268 -46.108 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.089 -44.582 -0.869 1.00 0.00 H new ATOM 710 N GLY A 44 3.147 -46.066 2.172 1.00 0.00 N ATOM 711 CA GLY A 44 3.762 -46.803 3.289 1.00 0.00 C ATOM 712 C GLY A 44 5.156 -46.302 3.728 1.00 0.00 C ATOM 713 O GLY A 44 5.813 -45.654 2.908 1.00 0.00 O ATOM 0 H GLY A 44 3.781 -45.427 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.091 -46.755 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.844 -47.853 3.007 1.00 0.00 H new ATOM 717 N PRO A 45 5.671 -46.572 4.959 1.00 0.00 N ATOM 718 CA PRO A 45 7.016 -46.165 5.430 1.00 0.00 C ATOM 719 C PRO A 45 8.200 -46.555 4.518 1.00 0.00 C ATOM 720 O PRO A 45 8.991 -45.693 4.118 1.00 0.00 O ATOM 721 CB PRO A 45 7.135 -46.840 6.809 1.00 0.00 C ATOM 722 CG PRO A 45 5.704 -46.826 7.295 1.00 0.00 C ATOM 723 CD PRO A 45 4.930 -47.228 6.044 1.00 0.00 C ATOM 0 HA PRO A 45 7.088 -45.077 5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.530 -47.853 6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.797 -46.289 7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.546 -47.528 8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.408 -45.842 7.657 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.906 -48.310 5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.895 -46.889 6.086 1.00 0.00 H new ATOM 731 N LYS A 46 8.313 -47.848 4.172 1.00 0.00 N ATOM 732 CA LYS A 46 9.292 -48.332 3.196 1.00 0.00 C ATOM 733 C LYS A 46 9.083 -47.781 1.773 1.00 0.00 C ATOM 734 O LYS A 46 10.061 -47.666 1.034 1.00 0.00 O ATOM 735 CB LYS A 46 9.341 -49.878 3.166 1.00 0.00 C ATOM 736 CG LYS A 46 10.330 -50.484 4.185 1.00 0.00 C ATOM 737 CD LYS A 46 10.641 -51.941 3.793 1.00 0.00 C ATOM 738 CE LYS A 46 11.860 -52.504 4.523 1.00 0.00 C ATOM 739 NZ LYS A 46 12.324 -53.646 3.742 1.00 0.00 N ATOM 0 H LYS A 46 7.726 -48.584 4.564 1.00 0.00 H new ATOM 0 HA LYS A 46 10.251 -47.946 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.343 -50.269 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.618 -50.205 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.249 -49.898 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.903 -50.449 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.773 -52.564 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.810 -51.995 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.642 -51.750 4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.598 -52.808 5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.057 -54.156 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.525 -54.285 3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.721 -53.312 2.841 1.00 0.00 H new ATOM 753 N CYS A 47 7.840 -47.430 1.399 1.00 0.00 N ATOM 754 CA CYS A 47 7.524 -46.762 0.135 1.00 0.00 C ATOM 755 C CYS A 47 8.161 -45.361 0.123 1.00 0.00 C ATOM 756 O CYS A 47 8.995 -45.129 -0.753 1.00 0.00 O ATOM 757 CB CYS A 47 5.981 -46.718 -0.040 1.00 0.00 C ATOM 758 SG CYS A 47 5.222 -46.180 -1.601 1.00 0.00 S ATOM 0 H CYS A 47 7.019 -47.607 1.978 1.00 0.00 H new ATOM 0 HA CYS A 47 7.938 -47.311 -0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.609 -47.722 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.591 -46.068 0.743 1.00 0.00 H new ATOM 763 N VAL A 48 7.837 -44.446 1.064 1.00 0.00 N ATOM 764 CA VAL A 48 8.552 -43.166 1.215 1.00 0.00 C ATOM 765 C VAL A 48 10.089 -43.278 1.252 1.00 0.00 C ATOM 766 O VAL A 48 10.760 -42.499 0.573 1.00 0.00 O ATOM 767 CB VAL A 48 8.089 -42.293 2.438 1.00 0.00 C ATOM 768 CG1 VAL A 48 7.591 -40.955 1.933 1.00 0.00 C ATOM 769 CG2 VAL A 48 6.964 -42.839 3.309 1.00 0.00 C ATOM 0 H VAL A 48 7.078 -44.575 1.733 1.00 0.00 H new ATOM 0 HA VAL A 48 8.266 -42.658 0.294 1.00 0.00 H new ATOM 0 HB VAL A 48 8.982 -42.258 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.268 -40.345 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.395 -40.444 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.751 -41.111 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.750 -42.133 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.070 -42.980 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.266 -43.795 3.737 1.00 0.00 H new ATOM 779 N LYS A 49 10.655 -44.229 2.017 1.00 0.00 N ATOM 780 CA LYS A 49 12.108 -44.474 2.023 1.00 0.00 C ATOM 781 C LYS A 49 12.690 -44.927 0.661 1.00 0.00 C ATOM 782 O LYS A 49 13.629 -44.281 0.182 1.00 0.00 O ATOM 783 CB LYS A 49 12.494 -45.445 3.162 1.00 0.00 C ATOM 784 CG LYS A 49 12.235 -44.838 4.559 1.00 0.00 C ATOM 785 CD LYS A 49 12.634 -45.801 5.690 1.00 0.00 C ATOM 786 CE LYS A 49 12.343 -45.188 7.056 1.00 0.00 C ATOM 787 NZ LYS A 49 12.745 -46.152 8.070 1.00 0.00 N ATOM 0 H LYS A 49 10.127 -44.841 2.640 1.00 0.00 H new ATOM 0 HA LYS A 49 12.571 -43.505 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.925 -46.369 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.548 -45.708 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.796 -43.909 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.179 -44.585 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.088 -46.738 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.695 -46.039 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.889 -44.253 7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.283 -44.953 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.558 -45.760 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.204 -47.032 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.761 -46.354 7.974 1.00 0.00 H new ATOM 801 N ALA A 50 12.147 -45.978 0.010 1.00 0.00 N ATOM 802 CA ALA A 50 12.499 -46.371 -1.369 1.00 0.00 C ATOM 803 C ALA A 50 12.348 -45.173 -2.338 1.00 0.00 C ATOM 804 O ALA A 50 13.284 -44.878 -3.084 1.00 0.00 O ATOM 805 CB ALA A 50 11.594 -47.566 -1.770 1.00 0.00 C ATOM 0 H ALA A 50 11.444 -46.584 0.433 1.00 0.00 H new ATOM 0 HA ALA A 50 13.543 -46.678 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.833 -47.878 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.765 -48.397 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.548 -47.263 -1.720 1.00 0.00 H new ATOM 811 N PHE A 51 11.223 -44.432 -2.253 1.00 0.00 N ATOM 812 CA PHE A 51 10.957 -43.210 -3.026 1.00 0.00 C ATOM 813 C PHE A 51 12.063 -42.153 -2.851 1.00 0.00 C ATOM 814 O PHE A 51 12.672 -41.772 -3.852 1.00 0.00 O ATOM 815 CB PHE A 51 9.585 -42.625 -2.561 1.00 0.00 C ATOM 816 CG PHE A 51 8.943 -41.639 -3.550 1.00 0.00 C ATOM 817 CD1 PHE A 51 9.491 -40.401 -3.852 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.810 -42.003 -4.249 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.960 -39.587 -4.831 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.274 -41.207 -5.220 1.00 0.00 C ATOM 821 CZ PHE A 51 7.851 -39.995 -5.532 1.00 0.00 C ATOM 0 H PHE A 51 10.457 -44.678 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 51 10.933 -43.469 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.893 -43.449 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.725 -42.121 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.359 -40.064 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.334 -42.945 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.415 -38.631 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.389 -41.530 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.438 -39.376 -6.315 1.00 0.00 H new ATOM 831 N LYS A 52 12.338 -41.685 -1.617 1.00 0.00 N ATOM 832 CA LYS A 52 13.349 -40.651 -1.363 1.00 0.00 C ATOM 833 C LYS A 52 14.770 -41.077 -1.776 1.00 0.00 C ATOM 834 O LYS A 52 15.506 -40.251 -2.322 1.00 0.00 O ATOM 835 CB LYS A 52 13.366 -40.194 0.120 1.00 0.00 C ATOM 836 CG LYS A 52 12.052 -39.544 0.600 1.00 0.00 C ATOM 837 CD LYS A 52 12.197 -38.978 2.029 1.00 0.00 C ATOM 838 CE LYS A 52 10.834 -38.780 2.685 1.00 0.00 C ATOM 839 NZ LYS A 52 11.028 -38.118 3.970 1.00 0.00 N ATOM 0 H LYS A 52 11.865 -42.014 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 52 13.049 -39.812 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.583 -41.056 0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.181 -39.484 0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.768 -38.744 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.250 -40.281 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.799 -39.657 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.728 -38.027 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.189 -38.179 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.339 -39.741 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.375 -38.522 4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.008 -38.259 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.840 -37.100 3.868 1.00 0.00 H new ATOM 853 N ASP A 53 15.175 -42.339 -1.558 1.00 0.00 N ATOM 854 CA ASP A 53 16.511 -42.790 -1.957 1.00 0.00 C ATOM 855 C ASP A 53 16.694 -42.968 -3.477 1.00 0.00 C ATOM 856 O ASP A 53 17.724 -42.540 -4.013 1.00 0.00 O ATOM 857 CB ASP A 53 16.910 -44.026 -1.123 1.00 0.00 C ATOM 858 CG ASP A 53 17.095 -43.624 0.340 1.00 0.00 C ATOM 859 OD1 ASP A 53 17.856 -42.690 0.614 1.00 0.00 O ATOM 860 OD2 ASP A 53 16.503 -44.251 1.208 1.00 0.00 O ATOM 0 H ASP A 53 14.601 -43.055 -1.113 1.00 0.00 H new ATOM 0 HA ASP A 53 17.214 -41.989 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.142 -44.795 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.833 -44.456 -1.511 1.00 0.00 H new ATOM 865 N CYS A 54 15.720 -43.555 -4.187 1.00 0.00 N ATOM 866 CA CYS A 54 15.671 -43.481 -5.652 1.00 0.00 C ATOM 867 C CYS A 54 15.571 -42.044 -6.205 1.00 0.00 C ATOM 868 O CYS A 54 16.179 -41.765 -7.240 1.00 0.00 O ATOM 869 CB CYS A 54 14.499 -44.317 -6.178 1.00 0.00 C ATOM 870 SG CYS A 54 14.847 -46.037 -6.633 1.00 0.00 S ATOM 0 H CYS A 54 14.956 -44.086 -3.769 1.00 0.00 H new ATOM 0 HA CYS A 54 16.621 -43.881 -6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.718 -44.320 -5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.090 -43.812 -7.053 1.00 0.00 H new ATOM 875 N CYS A 55 14.824 -41.132 -5.558 1.00 0.00 N ATOM 876 CA CYS A 55 14.797 -39.709 -5.922 1.00 0.00 C ATOM 877 C CYS A 55 16.169 -39.020 -5.738 1.00 0.00 C ATOM 878 O CYS A 55 16.540 -38.181 -6.564 1.00 0.00 O ATOM 879 CB CYS A 55 13.681 -39.002 -5.122 1.00 0.00 C ATOM 880 SG CYS A 55 13.103 -37.443 -5.844 1.00 0.00 S ATOM 0 H CYS A 55 14.222 -41.364 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 55 14.577 -39.630 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.833 -39.681 -5.030 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.044 -38.807 -4.113 1.00 0.00 H new ATOM 885 N TYR A 56 16.945 -39.347 -4.690 1.00 0.00 N ATOM 886 CA TYR A 56 18.366 -38.975 -4.603 1.00 0.00 C ATOM 887 C TYR A 56 19.218 -39.519 -5.767 1.00 0.00 C ATOM 888 O TYR A 56 20.016 -38.756 -6.319 1.00 0.00 O ATOM 889 CB TYR A 56 18.977 -39.400 -3.239 1.00 0.00 C ATOM 890 CG TYR A 56 18.768 -38.312 -2.176 1.00 0.00 C ATOM 891 CD1 TYR A 56 17.610 -38.234 -1.423 1.00 0.00 C ATOM 892 CD2 TYR A 56 19.743 -37.357 -1.940 1.00 0.00 C ATOM 893 CE1 TYR A 56 17.425 -37.248 -0.474 1.00 0.00 C ATOM 894 CE2 TYR A 56 19.568 -36.367 -0.993 1.00 0.00 C ATOM 895 CZ TYR A 56 18.409 -36.314 -0.262 1.00 0.00 C ATOM 896 OH TYR A 56 18.254 -35.336 0.666 1.00 0.00 O ATOM 0 H TYR A 56 16.607 -39.873 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 56 18.391 -37.888 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 56 18.518 -40.331 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 56 20.043 -39.595 -3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.830 -38.964 -1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 56 20.660 -37.387 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.510 -37.212 0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 56 20.344 -35.634 -0.828 1.00 0.00 H new ATOM 0 HH TYR A 56 19.052 -34.767 0.678 1.00 0.00 H new ATOM 906 N ILE A 57 19.070 -40.799 -6.157 1.00 0.00 N ATOM 907 CA ILE A 57 19.729 -41.354 -7.360 1.00 0.00 C ATOM 908 C ILE A 57 19.321 -40.625 -8.656 1.00 0.00 C ATOM 909 O ILE A 57 20.176 -40.290 -9.481 1.00 0.00 O ATOM 910 CB ILE A 57 19.485 -42.903 -7.482 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.862 -43.711 -6.210 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.169 -43.556 -8.713 1.00 0.00 C ATOM 913 CD1 ILE A 57 21.242 -43.381 -5.615 1.00 0.00 C ATOM 0 H ILE A 57 18.496 -41.475 -5.653 1.00 0.00 H new ATOM 0 HA ILE A 57 20.798 -41.185 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 57 18.405 -42.960 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.103 -43.535 -5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.832 -44.774 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 57 19.953 -44.624 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.788 -43.098 -9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.247 -43.405 -8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.414 -43.996 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.016 -43.586 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 57 21.276 -42.328 -5.337 1.00 0.00 H new ATOM 925 N ALA A 58 18.019 -40.365 -8.809 1.00 0.00 N ATOM 926 CA ALA A 58 17.457 -39.545 -9.894 1.00 0.00 C ATOM 927 C ALA A 58 18.075 -38.131 -9.993 1.00 0.00 C ATOM 928 O ALA A 58 18.408 -37.678 -11.091 1.00 0.00 O ATOM 929 CB ALA A 58 15.943 -39.439 -9.684 1.00 0.00 C ATOM 0 H ALA A 58 17.309 -40.725 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 58 17.697 -40.040 -10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.507 -38.834 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.502 -40.436 -9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.741 -38.972 -8.720 1.00 0.00 H new ATOM 935 N ASN A 59 18.228 -37.428 -8.858 1.00 0.00 N ATOM 936 CA ASN A 59 18.945 -36.148 -8.804 1.00 0.00 C ATOM 937 C ASN A 59 20.461 -36.262 -9.069 1.00 0.00 C ATOM 938 O ASN A 59 21.031 -35.340 -9.657 1.00 0.00 O ATOM 939 CB ASN A 59 18.659 -35.410 -7.476 1.00 0.00 C ATOM 940 CG ASN A 59 17.178 -35.042 -7.383 1.00 0.00 C ATOM 941 OD1 ASN A 59 16.619 -34.333 -8.213 1.00 0.00 O ATOM 942 ND2 ASN A 59 16.478 -35.527 -6.382 1.00 0.00 N ATOM 0 H ASN A 59 17.859 -37.732 -7.957 1.00 0.00 H new ATOM 0 HA ASN A 59 18.553 -35.554 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.937 -36.043 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.269 -34.509 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.484 -35.312 -6.303 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.929 -36.118 -5.684 1.00 0.00 H new ATOM 949 N GLN A 60 21.132 -37.351 -8.655 1.00 0.00 N ATOM 950 CA GLN A 60 22.502 -37.648 -9.096 1.00 0.00 C ATOM 951 C GLN A 60 22.590 -37.879 -10.617 1.00 0.00 C ATOM 952 O GLN A 60 23.468 -37.292 -11.250 1.00 0.00 O ATOM 953 CB GLN A 60 23.104 -38.855 -8.326 1.00 0.00 C ATOM 954 CG GLN A 60 23.273 -38.655 -6.792 1.00 0.00 C ATOM 955 CD GLN A 60 24.262 -37.543 -6.435 1.00 0.00 C ATOM 956 OE1 GLN A 60 25.453 -37.771 -6.268 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.836 -36.303 -6.282 1.00 0.00 N ATOM 0 H GLN A 60 20.744 -38.042 -8.013 1.00 0.00 H new ATOM 0 HA GLN A 60 23.096 -36.764 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.468 -39.724 -8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 60 24.079 -39.087 -8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.302 -38.424 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.611 -39.590 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.849 -36.083 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.494 -35.565 -6.031 1.00 0.00 H new ATOM 966 N VAL A 61 21.690 -38.674 -11.224 1.00 0.00 N ATOM 967 CA VAL A 61 21.599 -38.829 -12.688 1.00 0.00 C ATOM 968 C VAL A 61 21.344 -37.486 -13.412 1.00 0.00 C ATOM 969 O VAL A 61 21.987 -37.224 -14.431 1.00 0.00 O ATOM 970 CB VAL A 61 20.536 -39.919 -13.062 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.290 -40.085 -14.580 1.00 0.00 C ATOM 972 CG2 VAL A 61 20.957 -41.308 -12.535 1.00 0.00 C ATOM 0 H VAL A 61 21.004 -39.228 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 61 22.570 -39.175 -13.043 1.00 0.00 H new ATOM 0 HB VAL A 61 19.619 -39.558 -12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 61 19.541 -40.859 -14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.935 -39.142 -14.996 1.00 0.00 H new ATOM 0 HG13 VAL A 61 21.221 -40.371 -15.070 1.00 0.00 H new ATOM 0 HG21 VAL A 61 20.202 -42.045 -12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.914 -41.589 -12.974 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.052 -41.272 -11.450 1.00 0.00 H new ATOM 982 N ARG A 62 20.455 -36.620 -12.893 1.00 0.00 N ATOM 983 CA ARG A 62 20.257 -35.249 -13.391 1.00 0.00 C ATOM 984 C ARG A 62 21.533 -34.375 -13.325 1.00 0.00 C ATOM 985 O ARG A 62 21.794 -33.602 -14.251 1.00 0.00 O ATOM 986 CB ARG A 62 19.103 -34.606 -12.579 1.00 0.00 C ATOM 987 CG ARG A 62 18.570 -33.267 -13.148 1.00 0.00 C ATOM 988 CD ARG A 62 17.408 -32.743 -12.301 1.00 0.00 C ATOM 989 NE ARG A 62 16.817 -31.587 -12.971 1.00 0.00 N ATOM 990 CZ ARG A 62 15.572 -31.211 -12.865 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.684 -31.794 -12.153 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.177 -30.191 -13.518 1.00 0.00 N ATOM 0 H ARG A 62 19.848 -36.856 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 62 20.006 -35.305 -14.450 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.277 -35.315 -12.526 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.446 -34.439 -11.558 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.373 -32.530 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.241 -33.409 -14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.659 -33.523 -12.165 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.761 -32.463 -11.308 1.00 0.00 H new ATOM 0 HE ARG A 62 17.426 -31.029 -13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.929 -32.622 -11.610 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.731 -31.431 -12.128 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.831 -29.682 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.207 -29.884 -13.446 1.00 0.00 H new ATOM 1006 N ALA A 63 22.331 -34.476 -12.251 1.00 0.00 N ATOM 1007 CA ALA A 63 23.639 -33.822 -12.159 1.00 0.00 C ATOM 1008 C ALA A 63 24.738 -34.476 -13.027 1.00 0.00 C ATOM 1009 O ALA A 63 25.519 -33.755 -13.648 1.00 0.00 O ATOM 1010 CB ALA A 63 24.058 -33.787 -10.675 1.00 0.00 C ATOM 0 H ALA A 63 22.084 -35.016 -11.421 1.00 0.00 H new ATOM 0 HA ALA A 63 23.532 -32.814 -12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 63 25.031 -33.304 -10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 63 23.319 -33.228 -10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 63 24.121 -34.805 -10.291 1.00 0.00 H new ATOM 1016 N GLU A 64 24.836 -35.816 -13.073 1.00 0.00 N ATOM 1017 CA GLU A 64 25.830 -36.528 -13.890 1.00 0.00 C ATOM 1018 C GLU A 64 25.522 -36.551 -15.402 1.00 0.00 C ATOM 1019 O GLU A 64 26.408 -36.226 -16.192 1.00 0.00 O ATOM 1020 CB GLU A 64 26.009 -37.976 -13.360 1.00 0.00 C ATOM 1021 CG GLU A 64 26.607 -38.029 -11.919 1.00 0.00 C ATOM 1022 CD GLU A 64 26.610 -39.446 -11.344 1.00 0.00 C ATOM 1023 OE1 GLU A 64 25.589 -39.861 -10.796 1.00 0.00 O ATOM 1024 OE2 GLU A 64 27.636 -40.113 -11.441 1.00 0.00 O ATOM 0 H GLU A 64 24.225 -36.437 -12.542 1.00 0.00 H new ATOM 0 HA GLU A 64 26.757 -35.963 -13.789 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.043 -38.481 -13.365 1.00 0.00 H new ATOM 0 HB3 GLU A 64 26.660 -38.527 -14.038 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.627 -37.644 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 64 26.031 -37.375 -11.265 1.00 0.00 H new ATOM 1031 N GLN A 65 24.294 -36.911 -15.811 1.00 0.00 N ATOM 1032 CA GLN A 65 23.878 -37.073 -17.215 1.00 0.00 C ATOM 1033 C GLN A 65 24.729 -38.047 -18.075 1.00 0.00 C ATOM 1034 O GLN A 65 25.360 -37.644 -19.056 1.00 0.00 O ATOM 1035 CB GLN A 65 23.616 -35.672 -17.861 1.00 0.00 C ATOM 1036 CG GLN A 65 22.306 -35.016 -17.338 1.00 0.00 C ATOM 1037 CD GLN A 65 22.201 -33.542 -17.733 1.00 0.00 C ATOM 1038 OE1 GLN A 65 22.197 -33.169 -18.899 1.00 0.00 O ATOM 1039 NE2 GLN A 65 22.097 -32.643 -16.773 1.00 0.00 N ATOM 0 H GLN A 65 23.539 -37.104 -15.153 1.00 0.00 H new ATOM 0 HA GLN A 65 22.931 -37.613 -17.196 1.00 0.00 H new ATOM 0 HB2 GLN A 65 24.459 -35.014 -17.650 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.559 -35.779 -18.944 1.00 0.00 H new ATOM 0 HG2 GLN A 65 21.447 -35.558 -17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 65 22.266 -35.103 -16.252 1.00 0.00 H new ATOM 0 HE21 GLN A 65 22.099 -32.937 -15.796 1.00 0.00 H new ATOM 0 HE22 GLN A 65 22.015 -31.654 -17.007 1.00 0.00 H new ATOM 1048 N SER A 66 24.718 -39.239 -17.763 1.00 0.00 N TER 1049 SER A 66