USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 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 5 LYS NZ :NH3+ -179:sc= 2.48 (180deg=2.36) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -175:sc= 2.26 (180deg=2.18) USER MOD Set 2.1: A 13 TYR OH : rot -1:sc= 2.26 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -151:sc= 2.39 (180deg=1.03) USER MOD Set 3.1: A 1 MET N :NH3+ -159:sc= 1.27 (180deg=-0.0265) USER MOD Set 3.2: A 60 GLN : amide:sc= 0.994 K(o=2.3,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 1.19 (180deg=1.1) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0115) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 1.06 (180deg=0.767) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.91 K(o=0.91,f=-6.8!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 2.19 (180deg=1.24) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 2.23 (180deg=2.09) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1 K(o=1,f=-7.4!) USER MOD Single : A 65 GLN : amide:sc= 1.19 K(o=1.2,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.996 -42.394 -5.874 1.00 0.00 N ATOM 2 CA MET A 1 18.532 -43.735 -5.637 1.00 0.00 C ATOM 3 C MET A 1 17.486 -44.867 -5.531 1.00 0.00 C ATOM 4 O MET A 1 17.767 -45.975 -5.994 1.00 0.00 O ATOM 5 CB MET A 1 19.415 -43.708 -4.359 1.00 0.00 C ATOM 6 CG MET A 1 20.782 -42.997 -4.526 1.00 0.00 C ATOM 7 SD MET A 1 21.941 -43.870 -5.614 1.00 0.00 S ATOM 8 CE MET A 1 22.939 -44.767 -4.399 1.00 0.00 C ATOM 0 H1 MET A 1 18.740 -41.789 -6.275 1.00 0.00 H new ATOM 0 H2 MET A 1 17.200 -42.451 -6.540 1.00 0.00 H new ATOM 0 H3 MET A 1 17.667 -41.988 -4.975 1.00 0.00 H new ATOM 0 HA MET A 1 19.112 -43.980 -6.527 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.860 -43.214 -3.562 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.592 -44.734 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.613 -41.995 -4.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.241 -42.879 -3.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.700 -45.353 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.422 -44.056 -3.728 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.298 -45.433 -3.821 1.00 0.00 H new ATOM 20 N LEU A 2 16.286 -44.654 -4.964 1.00 0.00 N ATOM 21 CA LEU A 2 15.299 -45.726 -4.751 1.00 0.00 C ATOM 22 C LEU A 2 14.557 -46.186 -6.036 1.00 0.00 C ATOM 23 O LEU A 2 13.367 -45.943 -6.290 1.00 0.00 O ATOM 24 CB LEU A 2 14.320 -45.334 -3.610 1.00 0.00 C ATOM 25 CG LEU A 2 14.963 -45.042 -2.229 1.00 0.00 C ATOM 26 CD1 LEU A 2 13.911 -44.425 -1.294 1.00 0.00 C ATOM 27 CD2 LEU A 2 15.519 -46.311 -1.556 1.00 0.00 C ATOM 0 H LEU A 2 15.974 -43.738 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 2 15.863 -46.607 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 2 13.764 -44.450 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.596 -46.139 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 2 15.792 -44.356 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.363 -44.220 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.541 -43.495 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.082 -45.122 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 2 15.958 -46.050 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.711 -47.026 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 2 16.283 -46.756 -2.194 1.00 0.00 H new ATOM 39 N GLN A 3 15.343 -46.909 -6.847 1.00 0.00 N ATOM 40 CA GLN A 3 14.868 -47.649 -8.019 1.00 0.00 C ATOM 41 C GLN A 3 13.807 -48.724 -7.699 1.00 0.00 C ATOM 42 O GLN A 3 13.004 -49.069 -8.564 1.00 0.00 O ATOM 43 CB GLN A 3 16.074 -48.248 -8.794 1.00 0.00 C ATOM 44 CG GLN A 3 16.951 -49.254 -7.992 1.00 0.00 C ATOM 45 CD GLN A 3 18.089 -49.802 -8.854 1.00 0.00 C ATOM 46 OE1 GLN A 3 19.237 -49.397 -8.735 1.00 0.00 O ATOM 47 NE2 GLN A 3 17.839 -50.740 -9.747 1.00 0.00 N ATOM 0 H GLN A 3 16.349 -46.996 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 3 14.352 -46.929 -8.654 1.00 0.00 H new ATOM 0 HB2 GLN A 3 15.698 -48.750 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 3 16.709 -47.429 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.363 -48.761 -7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 3 16.332 -50.077 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 3 16.889 -51.093 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 3 18.596 -51.112 -10.321 1.00 0.00 H new ATOM 56 N LYS A 4 13.794 -49.237 -6.458 1.00 0.00 N ATOM 57 CA LYS A 4 12.737 -50.097 -5.922 1.00 0.00 C ATOM 58 C LYS A 4 11.356 -49.403 -5.917 1.00 0.00 C ATOM 59 O LYS A 4 10.365 -50.014 -6.319 1.00 0.00 O ATOM 60 CB LYS A 4 13.167 -50.534 -4.496 1.00 0.00 C ATOM 61 CG LYS A 4 12.233 -51.581 -3.849 1.00 0.00 C ATOM 62 CD LYS A 4 12.735 -51.985 -2.451 1.00 0.00 C ATOM 63 CE LYS A 4 11.808 -53.015 -1.811 1.00 0.00 C ATOM 64 NZ LYS A 4 12.350 -53.340 -0.500 1.00 0.00 N ATOM 0 H LYS A 4 14.540 -49.058 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 4 12.615 -50.969 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.177 -50.942 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.208 -49.654 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.224 -51.175 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.174 -52.463 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.742 -52.395 -2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.798 -51.102 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.798 -52.616 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.743 -53.909 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.739 -54.042 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.307 -53.731 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.391 -52.479 0.082 1.00 0.00 H new ATOM 78 N LYS A 5 11.269 -48.132 -5.491 1.00 0.00 N ATOM 79 CA LYS A 5 10.036 -47.346 -5.592 1.00 0.00 C ATOM 80 C LYS A 5 9.659 -46.980 -7.039 1.00 0.00 C ATOM 81 O LYS A 5 8.473 -47.090 -7.387 1.00 0.00 O ATOM 82 CB LYS A 5 10.058 -46.110 -4.647 1.00 0.00 C ATOM 83 CG LYS A 5 9.404 -46.385 -3.258 1.00 0.00 C ATOM 84 CD LYS A 5 7.897 -45.994 -3.132 1.00 0.00 C ATOM 85 CE LYS A 5 6.938 -46.720 -4.084 1.00 0.00 C ATOM 86 NZ LYS A 5 5.572 -46.245 -3.890 1.00 0.00 N ATOM 0 H LYS A 5 12.048 -47.626 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 5 9.234 -47.998 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.090 -45.793 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.537 -45.283 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.505 -47.447 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.966 -45.843 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.576 -46.184 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.804 -44.921 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.245 -46.553 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.985 -47.795 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.932 -46.758 -4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.283 -46.411 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.526 -45.227 -4.097 1.00 0.00 H new ATOM 100 N ILE A 6 10.641 -46.592 -7.884 1.00 0.00 N ATOM 101 CA ILE A 6 10.397 -46.469 -9.335 1.00 0.00 C ATOM 102 C ILE A 6 9.868 -47.805 -9.888 1.00 0.00 C ATOM 103 O ILE A 6 8.794 -47.787 -10.479 1.00 0.00 O ATOM 104 CB ILE A 6 11.625 -45.982 -10.191 1.00 0.00 C ATOM 105 CG1 ILE A 6 12.163 -44.617 -9.692 1.00 0.00 C ATOM 106 CG2 ILE A 6 11.242 -45.869 -11.710 1.00 0.00 C ATOM 107 CD1 ILE A 6 13.501 -44.179 -10.339 1.00 0.00 C ATOM 0 H ILE A 6 11.591 -46.363 -7.592 1.00 0.00 H new ATOM 0 HA ILE A 6 9.654 -45.677 -9.433 1.00 0.00 H new ATOM 0 HB ILE A 6 12.410 -46.729 -10.073 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.412 -43.851 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.295 -44.666 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 6 12.108 -45.531 -12.279 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.924 -46.844 -12.079 1.00 0.00 H new ATOM 0 HG23 ILE A 6 10.428 -45.154 -11.828 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.803 -43.214 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 6 14.270 -44.921 -10.123 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.373 -44.094 -11.418 1.00 0.00 H new ATOM 119 N GLU A 7 10.523 -48.959 -9.676 1.00 0.00 N ATOM 120 CA GLU A 7 10.005 -50.251 -10.134 1.00 0.00 C ATOM 121 C GLU A 7 8.804 -50.811 -9.341 1.00 0.00 C ATOM 122 O GLU A 7 8.244 -51.792 -9.813 1.00 0.00 O ATOM 123 CB GLU A 7 11.138 -51.309 -10.267 1.00 0.00 C ATOM 124 CG GLU A 7 12.114 -51.072 -11.466 1.00 0.00 C ATOM 125 CD GLU A 7 11.453 -51.158 -12.849 1.00 0.00 C ATOM 126 OE1 GLU A 7 11.181 -52.265 -13.325 1.00 0.00 O ATOM 127 OE2 GLU A 7 11.261 -50.110 -13.460 1.00 0.00 O ATOM 0 H GLU A 7 11.416 -49.019 -9.187 1.00 0.00 H new ATOM 0 HA GLU A 7 9.599 -50.036 -11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.716 -51.321 -9.343 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.686 -52.295 -10.373 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.573 -50.089 -11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.918 -51.806 -11.415 1.00 0.00 H new ATOM 134 N GLU A 8 8.342 -50.331 -8.176 1.00 0.00 N ATOM 135 CA GLU A 8 6.979 -50.641 -7.704 1.00 0.00 C ATOM 136 C GLU A 8 5.902 -49.961 -8.580 1.00 0.00 C ATOM 137 O GLU A 8 4.870 -50.557 -8.904 1.00 0.00 O ATOM 138 CB GLU A 8 6.815 -50.221 -6.216 1.00 0.00 C ATOM 139 CG GLU A 8 5.492 -50.756 -5.561 1.00 0.00 C ATOM 140 CD GLU A 8 5.198 -50.160 -4.179 1.00 0.00 C ATOM 141 OE1 GLU A 8 6.008 -50.321 -3.271 1.00 0.00 O ATOM 142 OE2 GLU A 8 4.140 -49.542 -4.026 1.00 0.00 O ATOM 0 H GLU A 8 8.882 -49.734 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 8 6.837 -51.718 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.668 -50.588 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.831 -49.133 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.656 -50.538 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.555 -51.841 -5.472 1.00 0.00 H new ATOM 149 N GLU A 9 6.139 -48.706 -8.973 1.00 0.00 N ATOM 150 CA GLU A 9 5.223 -47.936 -9.829 1.00 0.00 C ATOM 151 C GLU A 9 5.421 -48.152 -11.333 1.00 0.00 C ATOM 152 O GLU A 9 4.488 -47.977 -12.116 1.00 0.00 O ATOM 153 CB GLU A 9 5.423 -46.470 -9.433 1.00 0.00 C ATOM 154 CG GLU A 9 5.275 -46.175 -7.898 1.00 0.00 C ATOM 155 CD GLU A 9 3.969 -46.627 -7.232 1.00 0.00 C ATOM 156 OE1 GLU A 9 2.925 -46.810 -7.872 1.00 0.00 O ATOM 157 OE2 GLU A 9 4.005 -46.800 -6.011 1.00 0.00 O ATOM 0 H GLU A 9 6.977 -48.190 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 9 4.200 -48.275 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.415 -46.154 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.702 -45.860 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.105 -46.653 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.380 -45.101 -7.746 1.00 0.00 H new ATOM 164 N ALA A 10 6.644 -48.422 -11.763 1.00 0.00 N ATOM 165 CA ALA A 10 6.948 -49.072 -13.038 1.00 0.00 C ATOM 166 C ALA A 10 7.261 -50.598 -13.063 1.00 0.00 C ATOM 167 O ALA A 10 8.011 -51.024 -13.946 1.00 0.00 O ATOM 168 CB ALA A 10 8.057 -48.218 -13.681 1.00 0.00 C ATOM 0 H ALA A 10 7.478 -48.191 -11.223 1.00 0.00 H new ATOM 0 HA ALA A 10 6.019 -49.097 -13.608 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.336 -48.648 -14.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.693 -47.201 -13.829 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.928 -48.200 -13.026 1.00 0.00 H new ATOM 174 N ALA A 11 6.777 -51.493 -12.177 1.00 0.00 N ATOM 175 CA ALA A 11 6.786 -52.968 -12.340 1.00 0.00 C ATOM 176 C ALA A 11 6.133 -53.547 -13.627 1.00 0.00 C ATOM 177 O ALA A 11 5.217 -54.377 -13.615 1.00 0.00 O ATOM 178 CB ALA A 11 6.125 -53.579 -11.071 1.00 0.00 C ATOM 0 H ALA A 11 6.353 -51.202 -11.296 1.00 0.00 H new ATOM 0 HA ALA A 11 7.832 -53.249 -12.460 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.113 -54.666 -11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.695 -53.289 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.103 -53.211 -10.980 1.00 0.00 H new ATOM 184 N LYS A 12 6.647 -53.061 -14.763 1.00 0.00 N ATOM 185 CA LYS A 12 6.309 -53.426 -16.144 1.00 0.00 C ATOM 186 C LYS A 12 4.869 -53.055 -16.559 1.00 0.00 C ATOM 187 O LYS A 12 4.693 -52.393 -17.584 1.00 0.00 O ATOM 188 CB LYS A 12 6.740 -54.881 -16.507 1.00 0.00 C ATOM 189 CG LYS A 12 8.286 -55.059 -16.633 1.00 0.00 C ATOM 190 CD LYS A 12 9.054 -55.202 -15.288 1.00 0.00 C ATOM 191 CE LYS A 12 10.577 -55.122 -15.440 1.00 0.00 C ATOM 192 NZ LYS A 12 10.982 -53.720 -15.499 1.00 0.00 N ATOM 0 H LYS A 12 7.370 -52.342 -14.738 1.00 0.00 H new ATOM 0 HA LYS A 12 6.924 -52.786 -16.778 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.365 -55.564 -15.745 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.271 -55.166 -17.449 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.484 -55.942 -17.241 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.690 -54.203 -17.173 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.724 -54.419 -14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.793 -56.156 -14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.065 -55.619 -14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.892 -55.642 -16.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.801 -53.622 -16.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.194 -53.146 -15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.240 -53.393 -14.546 1.00 0.00 H new ATOM 206 N TYR A 13 3.881 -53.435 -15.737 1.00 0.00 N ATOM 207 CA TYR A 13 2.484 -52.999 -15.752 1.00 0.00 C ATOM 208 C TYR A 13 1.580 -53.323 -16.956 1.00 0.00 C ATOM 209 O TYR A 13 1.858 -53.130 -18.139 1.00 0.00 O ATOM 210 CB TYR A 13 2.351 -51.499 -15.386 1.00 0.00 C ATOM 211 CG TYR A 13 2.363 -51.300 -13.868 1.00 0.00 C ATOM 212 CD1 TYR A 13 3.544 -51.119 -13.194 1.00 0.00 C ATOM 213 CD2 TYR A 13 1.198 -51.252 -13.121 1.00 0.00 C ATOM 214 CE1 TYR A 13 3.563 -50.887 -11.839 1.00 0.00 C ATOM 215 CE2 TYR A 13 1.209 -51.011 -11.760 1.00 0.00 C ATOM 216 CZ TYR A 13 2.403 -50.820 -11.116 1.00 0.00 C ATOM 217 OH TYR A 13 2.434 -50.487 -9.792 1.00 0.00 O ATOM 0 H TYR A 13 4.054 -54.106 -14.989 1.00 0.00 H new ATOM 0 HA TYR A 13 2.080 -53.658 -14.984 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.170 -50.937 -15.836 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.425 -51.101 -15.801 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.476 -51.159 -13.738 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.251 -51.408 -13.617 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.510 -50.755 -11.336 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.282 -50.973 -11.208 1.00 0.00 H new ATOM 0 HH TYR A 13 3.362 -50.346 -9.512 1.00 0.00 H new ATOM 227 N LYS A 14 0.435 -53.859 -16.534 1.00 0.00 N ATOM 228 CA LYS A 14 -0.835 -53.705 -17.250 1.00 0.00 C ATOM 229 C LYS A 14 -1.327 -52.239 -17.226 1.00 0.00 C ATOM 230 O LYS A 14 -1.762 -51.697 -18.244 1.00 0.00 O ATOM 231 CB LYS A 14 -1.904 -54.640 -16.617 1.00 0.00 C ATOM 232 CG LYS A 14 -1.610 -56.157 -16.738 1.00 0.00 C ATOM 233 CD LYS A 14 -1.757 -56.696 -18.182 1.00 0.00 C ATOM 234 CE LYS A 14 -1.537 -58.208 -18.304 1.00 0.00 C ATOM 235 NZ LYS A 14 -0.127 -58.511 -18.098 1.00 0.00 N ATOM 0 H LYS A 14 0.360 -54.415 -15.682 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.676 -53.981 -18.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.003 -54.389 -15.561 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.866 -54.434 -17.086 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.597 -56.353 -16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.287 -56.705 -16.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.753 -56.452 -18.551 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.044 -56.181 -18.826 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.145 -58.735 -17.569 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.855 -58.554 -19.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.032 -59.530 -18.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.446 -57.979 -18.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.149 -58.241 -17.132 1.00 0.00 H new ATOM 249 N TYR A 15 -1.239 -51.568 -16.066 1.00 0.00 N ATOM 250 CA TYR A 15 -1.613 -50.156 -15.898 1.00 0.00 C ATOM 251 C TYR A 15 -0.479 -49.190 -16.339 1.00 0.00 C ATOM 252 O TYR A 15 0.196 -48.472 -15.579 1.00 0.00 O ATOM 253 CB TYR A 15 -2.092 -49.918 -14.437 1.00 0.00 C ATOM 254 CG TYR A 15 -3.131 -50.961 -13.990 1.00 0.00 C ATOM 255 CD1 TYR A 15 -4.313 -51.160 -14.687 1.00 0.00 C ATOM 256 CD2 TYR A 15 -2.908 -51.756 -12.879 1.00 0.00 C ATOM 257 CE1 TYR A 15 -5.234 -52.112 -14.293 1.00 0.00 C ATOM 258 CE2 TYR A 15 -3.822 -52.710 -12.480 1.00 0.00 C ATOM 259 CZ TYR A 15 -4.983 -52.887 -13.187 1.00 0.00 C ATOM 260 OH TYR A 15 -5.870 -53.832 -12.785 1.00 0.00 O ATOM 0 H TYR A 15 -0.901 -51.999 -15.206 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.445 -49.928 -16.564 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.234 -49.951 -13.765 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.523 -48.920 -14.355 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.519 -50.557 -15.559 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.998 -51.627 -12.312 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.148 -52.246 -14.853 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.622 -53.318 -11.610 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.527 -54.284 -11.986 1.00 0.00 H new ATOM 270 N ALA A 16 -0.320 -49.256 -17.668 1.00 0.00 N ATOM 271 CA ALA A 16 0.688 -48.531 -18.439 1.00 0.00 C ATOM 272 C ALA A 16 0.581 -46.998 -18.359 1.00 0.00 C ATOM 273 O ALA A 16 1.600 -46.309 -18.325 1.00 0.00 O ATOM 274 CB ALA A 16 0.595 -49.016 -19.900 1.00 0.00 C ATOM 0 H ALA A 16 -0.916 -49.840 -18.255 1.00 0.00 H new ATOM 0 HA ALA A 16 1.662 -48.752 -18.002 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.336 -48.493 -20.505 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.785 -50.089 -19.940 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.402 -48.809 -20.289 1.00 0.00 H new ATOM 280 N MET A 17 -0.650 -46.470 -18.308 1.00 0.00 N ATOM 281 CA MET A 17 -0.920 -45.043 -18.108 1.00 0.00 C ATOM 282 C MET A 17 -0.475 -44.534 -16.720 1.00 0.00 C ATOM 283 O MET A 17 -0.066 -43.383 -16.570 1.00 0.00 O ATOM 284 CB MET A 17 -2.428 -44.765 -18.333 1.00 0.00 C ATOM 285 CG MET A 17 -2.875 -44.994 -19.795 1.00 0.00 C ATOM 286 SD MET A 17 -4.649 -44.712 -20.030 1.00 0.00 S ATOM 287 CE MET A 17 -4.655 -42.975 -20.540 1.00 0.00 C ATOM 0 H MET A 17 -1.496 -47.031 -18.406 1.00 0.00 H new ATOM 0 HA MET A 17 -0.327 -44.493 -18.839 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.012 -45.409 -17.676 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.648 -43.736 -18.049 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.314 -44.328 -20.451 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.630 -46.014 -20.091 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.680 -42.653 -20.722 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.217 -42.363 -19.752 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.071 -42.862 -21.454 1.00 0.00 H new ATOM 297 N LEU A 18 -0.535 -45.402 -15.703 1.00 0.00 N ATOM 298 CA LEU A 18 -0.093 -45.111 -14.347 1.00 0.00 C ATOM 299 C LEU A 18 1.438 -45.191 -14.199 1.00 0.00 C ATOM 300 O LEU A 18 2.043 -44.304 -13.594 1.00 0.00 O ATOM 301 CB LEU A 18 -0.837 -46.088 -13.406 1.00 0.00 C ATOM 302 CG LEU A 18 -2.378 -45.902 -13.245 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.692 -44.530 -12.649 1.00 0.00 C ATOM 304 CD2 LEU A 18 -3.297 -46.080 -14.472 1.00 0.00 C ATOM 0 H LEU A 18 -0.902 -46.348 -15.810 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.337 -44.082 -14.082 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.656 -47.102 -13.763 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.384 -46.013 -12.417 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.616 -46.746 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.771 -44.417 -12.544 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.221 -44.442 -11.670 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.308 -43.751 -13.308 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.333 -45.914 -14.178 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.019 -45.360 -15.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.189 -47.091 -14.864 1.00 0.00 H new ATOM 316 N LYS A 19 2.096 -46.237 -14.713 1.00 0.00 N ATOM 317 CA LYS A 19 3.527 -46.146 -15.047 1.00 0.00 C ATOM 318 C LYS A 19 3.927 -44.915 -15.919 1.00 0.00 C ATOM 319 O LYS A 19 4.977 -44.314 -15.674 1.00 0.00 O ATOM 320 CB LYS A 19 3.891 -47.485 -15.756 1.00 0.00 C ATOM 321 CG LYS A 19 5.305 -47.569 -16.391 1.00 0.00 C ATOM 322 CD LYS A 19 5.605 -48.917 -17.088 1.00 0.00 C ATOM 323 CE LYS A 19 4.870 -49.078 -18.421 1.00 0.00 C ATOM 324 NZ LYS A 19 5.226 -50.373 -18.988 1.00 0.00 N ATOM 0 H LYS A 19 1.671 -47.144 -14.905 1.00 0.00 H new ATOM 0 HA LYS A 19 4.091 -45.991 -14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.794 -48.293 -15.031 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.154 -47.669 -16.538 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.413 -46.764 -17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.051 -47.400 -15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.678 -49.000 -17.259 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.324 -49.734 -16.423 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.792 -49.013 -18.270 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.145 -48.276 -19.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.684 -50.530 -19.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.243 -50.390 -19.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.005 -51.124 -18.304 1.00 0.00 H new ATOM 338 N LYS A 20 3.168 -44.491 -16.945 1.00 0.00 N ATOM 339 CA LYS A 20 3.399 -43.205 -17.626 1.00 0.00 C ATOM 340 C LYS A 20 3.201 -41.987 -16.687 1.00 0.00 C ATOM 341 O LYS A 20 3.958 -41.021 -16.823 1.00 0.00 O ATOM 342 CB LYS A 20 2.503 -43.135 -18.895 1.00 0.00 C ATOM 343 CG LYS A 20 2.546 -41.858 -19.774 1.00 0.00 C ATOM 344 CD LYS A 20 3.942 -41.499 -20.339 1.00 0.00 C ATOM 345 CE LYS A 20 3.915 -40.431 -21.443 1.00 0.00 C ATOM 346 NZ LYS A 20 3.324 -39.192 -20.945 1.00 0.00 N ATOM 0 H LYS A 20 2.385 -45.024 -17.322 1.00 0.00 H new ATOM 0 HA LYS A 20 4.444 -43.154 -17.932 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.765 -43.981 -19.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.471 -43.282 -18.578 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.855 -41.985 -20.607 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.182 -41.017 -19.184 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.573 -41.147 -19.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.406 -42.403 -20.734 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.928 -40.240 -21.797 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.343 -40.796 -22.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.314 -38.482 -21.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.350 -39.374 -20.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.886 -38.836 -20.146 1.00 0.00 H new ATOM 360 N CYS A 21 2.250 -41.988 -15.725 1.00 0.00 N ATOM 361 CA CYS A 21 2.195 -40.991 -14.639 1.00 0.00 C ATOM 362 C CYS A 21 3.517 -40.943 -13.825 1.00 0.00 C ATOM 363 O CYS A 21 4.003 -39.843 -13.534 1.00 0.00 O ATOM 364 CB CYS A 21 0.966 -41.290 -13.729 1.00 0.00 C ATOM 365 SG CYS A 21 -0.024 -39.861 -13.208 1.00 0.00 S ATOM 0 H CYS A 21 1.502 -42.680 -15.682 1.00 0.00 H new ATOM 0 HA CYS A 21 2.077 -40.001 -15.079 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.312 -41.984 -14.257 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.320 -41.803 -12.835 1.00 0.00 H new ATOM 370 N CYS A 22 4.133 -42.110 -13.515 1.00 0.00 N ATOM 371 CA CYS A 22 5.543 -42.213 -13.067 1.00 0.00 C ATOM 372 C CYS A 22 6.477 -41.432 -13.973 1.00 0.00 C ATOM 373 O CYS A 22 7.188 -40.548 -13.505 1.00 0.00 O ATOM 374 CB CYS A 22 5.998 -43.682 -12.818 1.00 0.00 C ATOM 375 SG CYS A 22 7.100 -43.951 -11.394 1.00 0.00 S ATOM 0 H CYS A 22 3.661 -43.013 -13.569 1.00 0.00 H new ATOM 0 HA CYS A 22 5.600 -41.738 -12.088 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.109 -44.298 -12.684 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.503 -44.041 -13.715 1.00 0.00 H new ATOM 380 N TYR A 23 6.443 -41.691 -15.265 1.00 0.00 N ATOM 381 CA TYR A 23 7.407 -41.083 -16.173 1.00 0.00 C ATOM 382 C TYR A 23 7.200 -39.572 -16.425 1.00 0.00 C ATOM 383 O TYR A 23 8.176 -38.824 -16.567 1.00 0.00 O ATOM 384 CB TYR A 23 7.474 -42.014 -17.371 1.00 0.00 C ATOM 385 CG TYR A 23 7.916 -43.447 -16.961 1.00 0.00 C ATOM 386 CD1 TYR A 23 8.348 -43.864 -15.681 1.00 0.00 C ATOM 387 CD2 TYR A 23 8.030 -44.356 -17.993 1.00 0.00 C ATOM 388 CE1 TYR A 23 8.930 -45.108 -15.516 1.00 0.00 C ATOM 389 CE2 TYR A 23 8.602 -45.597 -17.817 1.00 0.00 C ATOM 390 CZ TYR A 23 9.063 -45.966 -16.584 1.00 0.00 C ATOM 391 OH TYR A 23 9.670 -47.173 -16.451 1.00 0.00 O ATOM 0 H TYR A 23 5.767 -42.311 -15.711 1.00 0.00 H new ATOM 0 HA TYR A 23 8.404 -41.013 -15.737 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.497 -42.058 -17.853 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.173 -41.613 -18.105 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.223 -43.210 -14.831 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.659 -44.086 -18.971 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.283 -45.409 -14.541 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.686 -46.277 -18.652 1.00 0.00 H new ATOM 0 HH TYR A 23 9.668 -47.637 -17.314 1.00 0.00 H new ATOM 401 N ASP A 24 5.939 -39.114 -16.388 1.00 0.00 N ATOM 402 CA ASP A 24 5.604 -37.688 -16.275 1.00 0.00 C ATOM 403 C ASP A 24 6.112 -37.042 -14.967 1.00 0.00 C ATOM 404 O ASP A 24 6.423 -35.852 -14.964 1.00 0.00 O ATOM 405 CB ASP A 24 4.069 -37.478 -16.407 1.00 0.00 C ATOM 406 CG ASP A 24 3.476 -37.995 -17.721 1.00 0.00 C ATOM 407 OD1 ASP A 24 4.147 -38.015 -18.760 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.311 -38.379 -17.712 1.00 0.00 O ATOM 0 H ASP A 24 5.123 -39.724 -16.436 1.00 0.00 H new ATOM 0 HA ASP A 24 6.119 -37.188 -17.095 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.572 -37.978 -15.576 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.850 -36.414 -16.316 1.00 0.00 H new ATOM 413 N GLY A 25 6.159 -37.787 -13.849 1.00 0.00 N ATOM 414 CA GLY A 25 6.844 -37.351 -12.622 1.00 0.00 C ATOM 415 C GLY A 25 8.376 -37.426 -12.682 1.00 0.00 C ATOM 416 O GLY A 25 9.045 -36.535 -12.160 1.00 0.00 O ATOM 0 H GLY A 25 5.724 -38.706 -13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.552 -36.323 -12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.496 -37.964 -11.790 1.00 0.00 H new ATOM 420 N ALA A 26 8.937 -38.488 -13.281 1.00 0.00 N ATOM 421 CA ALA A 26 10.380 -38.658 -13.483 1.00 0.00 C ATOM 422 C ALA A 26 11.024 -37.534 -14.315 1.00 0.00 C ATOM 423 O ALA A 26 12.169 -37.153 -14.051 1.00 0.00 O ATOM 424 CB ALA A 26 10.663 -40.029 -14.125 1.00 0.00 C ATOM 0 H ALA A 26 8.387 -39.266 -13.645 1.00 0.00 H new ATOM 0 HA ALA A 26 10.840 -38.605 -12.496 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.737 -40.147 -14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.297 -40.820 -13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.156 -40.091 -15.088 1.00 0.00 H new ATOM 430 N TYR A 27 10.323 -36.986 -15.319 1.00 0.00 N ATOM 431 CA TYR A 27 10.717 -35.703 -15.914 1.00 0.00 C ATOM 432 C TYR A 27 10.470 -34.500 -14.961 1.00 0.00 C ATOM 433 O TYR A 27 9.552 -33.694 -15.149 1.00 0.00 O ATOM 434 CB TYR A 27 10.022 -35.532 -17.294 1.00 0.00 C ATOM 435 CG TYR A 27 10.664 -36.440 -18.355 1.00 0.00 C ATOM 436 CD1 TYR A 27 11.739 -36.007 -19.114 1.00 0.00 C ATOM 437 CD2 TYR A 27 10.198 -37.722 -18.594 1.00 0.00 C ATOM 438 CE1 TYR A 27 12.325 -36.816 -20.069 1.00 0.00 C ATOM 439 CE2 TYR A 27 10.776 -38.538 -19.545 1.00 0.00 C ATOM 440 CZ TYR A 27 11.840 -38.084 -20.281 1.00 0.00 C ATOM 441 OH TYR A 27 12.400 -38.896 -21.213 1.00 0.00 O ATOM 0 H TYR A 27 9.490 -37.406 -15.731 1.00 0.00 H new ATOM 0 HA TYR A 27 11.795 -35.715 -16.075 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.962 -35.769 -17.202 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.090 -34.492 -17.612 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.129 -35.012 -18.955 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.361 -38.093 -18.021 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.162 -36.453 -20.647 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.391 -39.533 -19.709 1.00 0.00 H new ATOM 0 HH TYR A 27 11.928 -39.755 -21.224 1.00 0.00 H new ATOM 451 N ARG A 28 11.300 -34.387 -13.906 1.00 0.00 N ATOM 452 CA ARG A 28 11.239 -33.286 -12.933 1.00 0.00 C ATOM 453 C ARG A 28 11.578 -31.906 -13.551 1.00 0.00 C ATOM 454 O ARG A 28 12.709 -31.615 -13.955 1.00 0.00 O ATOM 455 CB ARG A 28 12.179 -33.652 -11.749 1.00 0.00 C ATOM 456 CG ARG A 28 12.028 -32.909 -10.388 1.00 0.00 C ATOM 457 CD ARG A 28 12.466 -31.441 -10.359 1.00 0.00 C ATOM 458 NE ARG A 28 12.529 -30.971 -8.978 1.00 0.00 N ATOM 459 CZ ARG A 28 12.638 -29.725 -8.614 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.491 -28.723 -9.399 1.00 0.00 N ATOM 461 NH2 ARG A 28 12.849 -29.514 -7.378 1.00 0.00 N ATOM 0 H ARG A 28 12.036 -35.064 -13.706 1.00 0.00 H new ATOM 0 HA ARG A 28 10.214 -33.175 -12.578 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.058 -34.718 -11.554 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.204 -33.505 -12.089 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.982 -32.959 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.603 -33.452 -9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.441 -31.333 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.765 -30.831 -10.929 1.00 0.00 H new ATOM 0 HE ARG A 28 12.484 -31.674 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.273 -28.874 -10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.592 -27.774 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.924 -30.300 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.943 -28.559 -7.033 1.00 0.00 H new ATOM 475 N ASN A 29 10.536 -31.065 -13.595 1.00 0.00 N ATOM 476 CA ASN A 29 10.587 -29.676 -14.057 1.00 0.00 C ATOM 477 C ASN A 29 11.372 -28.721 -13.120 1.00 0.00 C ATOM 478 O ASN A 29 11.320 -28.811 -11.888 1.00 0.00 O ATOM 479 CB ASN A 29 9.099 -29.241 -14.221 1.00 0.00 C ATOM 480 CG ASN A 29 8.904 -27.808 -14.719 1.00 0.00 C ATOM 481 OD1 ASN A 29 8.106 -27.062 -14.165 1.00 0.00 O ATOM 482 ND2 ASN A 29 9.574 -27.345 -15.757 1.00 0.00 N ATOM 0 H ASN A 29 9.601 -31.346 -13.298 1.00 0.00 H new ATOM 0 HA ASN A 29 11.142 -29.614 -14.993 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.610 -29.923 -14.917 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.595 -29.349 -13.261 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.421 -26.389 -16.078 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.245 -27.943 -16.239 1.00 0.00 H new ATOM 489 N ASP A 30 12.106 -27.772 -13.717 1.00 0.00 N ATOM 490 CA ASP A 30 12.939 -26.774 -13.032 1.00 0.00 C ATOM 491 C ASP A 30 12.163 -25.691 -12.242 1.00 0.00 C ATOM 492 O ASP A 30 12.212 -24.488 -12.505 1.00 0.00 O ATOM 493 CB ASP A 30 13.922 -26.167 -14.080 1.00 0.00 C ATOM 494 CG ASP A 30 14.946 -27.203 -14.537 1.00 0.00 C ATOM 495 OD1 ASP A 30 14.576 -28.184 -15.184 1.00 0.00 O ATOM 496 OD2 ASP A 30 16.115 -27.081 -14.184 1.00 0.00 O ATOM 0 H ASP A 30 12.137 -27.675 -14.732 1.00 0.00 H new ATOM 0 HA ASP A 30 13.489 -27.288 -12.243 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.361 -25.801 -14.940 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.436 -25.309 -13.647 1.00 0.00 H new ATOM 501 N ASP A 31 11.411 -26.182 -11.258 1.00 0.00 N ATOM 502 CA ASP A 31 10.763 -25.383 -10.222 1.00 0.00 C ATOM 503 C ASP A 31 11.524 -25.515 -8.873 1.00 0.00 C ATOM 504 O ASP A 31 12.596 -26.129 -8.806 1.00 0.00 O ATOM 505 CB ASP A 31 9.311 -25.956 -10.129 1.00 0.00 C ATOM 506 CG ASP A 31 8.270 -24.946 -9.651 1.00 0.00 C ATOM 507 OD1 ASP A 31 8.455 -24.337 -8.598 1.00 0.00 O ATOM 508 OD2 ASP A 31 7.266 -24.808 -10.347 1.00 0.00 O ATOM 0 H ASP A 31 11.231 -27.181 -11.158 1.00 0.00 H new ATOM 0 HA ASP A 31 10.758 -24.318 -10.454 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.016 -26.329 -11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.312 -26.809 -9.451 1.00 0.00 H new ATOM 513 N GLU A 32 10.980 -24.969 -7.776 1.00 0.00 N ATOM 514 CA GLU A 32 11.514 -25.157 -6.421 1.00 0.00 C ATOM 515 C GLU A 32 11.396 -26.637 -5.992 1.00 0.00 C ATOM 516 O GLU A 32 12.408 -27.314 -5.794 1.00 0.00 O ATOM 517 CB GLU A 32 10.772 -24.193 -5.456 1.00 0.00 C ATOM 518 CG GLU A 32 11.337 -24.205 -4.000 1.00 0.00 C ATOM 519 CD GLU A 32 10.499 -23.351 -3.048 1.00 0.00 C ATOM 520 OE1 GLU A 32 9.527 -23.873 -2.507 1.00 0.00 O ATOM 521 OE2 GLU A 32 10.836 -22.186 -2.856 1.00 0.00 O ATOM 0 H GLU A 32 10.149 -24.379 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 32 12.577 -24.915 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.833 -23.179 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.716 -24.462 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.368 -25.231 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.363 -23.837 -4.007 1.00 0.00 H new ATOM 528 N THR A 33 10.163 -27.152 -5.893 1.00 0.00 N ATOM 529 CA THR A 33 9.885 -28.581 -5.705 1.00 0.00 C ATOM 530 C THR A 33 8.615 -29.020 -6.457 1.00 0.00 C ATOM 531 O THR A 33 7.601 -28.314 -6.501 1.00 0.00 O ATOM 532 CB THR A 33 9.832 -29.007 -4.209 1.00 0.00 C ATOM 533 OG1 THR A 33 9.473 -30.379 -4.110 1.00 0.00 O ATOM 534 CG2 THR A 33 8.823 -28.260 -3.344 1.00 0.00 C ATOM 0 H THR A 33 9.320 -26.580 -5.942 1.00 0.00 H new ATOM 0 HA THR A 33 10.734 -29.107 -6.142 1.00 0.00 H new ATOM 0 HB THR A 33 10.832 -28.778 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.443 -30.642 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.871 -28.636 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.056 -27.195 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.819 -28.414 -3.741 1.00 0.00 H new ATOM 542 N CYS A 34 8.705 -30.197 -7.087 1.00 0.00 N ATOM 543 CA CYS A 34 7.568 -30.860 -7.728 1.00 0.00 C ATOM 544 C CYS A 34 6.487 -31.319 -6.729 1.00 0.00 C ATOM 545 O CYS A 34 5.310 -31.360 -7.086 1.00 0.00 O ATOM 546 CB CYS A 34 8.059 -32.037 -8.619 1.00 0.00 C ATOM 547 SG CYS A 34 8.939 -33.374 -7.763 1.00 0.00 S ATOM 0 H CYS A 34 9.578 -30.719 -7.166 1.00 0.00 H new ATOM 0 HA CYS A 34 7.085 -30.117 -8.362 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.195 -32.465 -9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.715 -31.633 -9.390 1.00 0.00 H new ATOM 552 N GLU A 35 6.861 -31.615 -5.472 1.00 0.00 N ATOM 553 CA GLU A 35 5.950 -32.152 -4.455 1.00 0.00 C ATOM 554 C GLU A 35 4.884 -31.158 -3.949 1.00 0.00 C ATOM 555 O GLU A 35 3.842 -31.593 -3.465 1.00 0.00 O ATOM 556 CB GLU A 35 6.753 -32.775 -3.285 1.00 0.00 C ATOM 557 CG GLU A 35 7.628 -33.967 -3.782 1.00 0.00 C ATOM 558 CD GLU A 35 8.228 -34.803 -2.656 1.00 0.00 C ATOM 559 OE1 GLU A 35 9.259 -34.414 -2.112 1.00 0.00 O ATOM 560 OE2 GLU A 35 7.676 -35.871 -2.370 1.00 0.00 O ATOM 0 H GLU A 35 7.814 -31.486 -5.134 1.00 0.00 H new ATOM 0 HA GLU A 35 5.375 -32.932 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.390 -32.016 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.067 -33.120 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.020 -34.612 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.435 -33.579 -4.403 1.00 0.00 H new ATOM 567 N GLU A 36 5.108 -29.839 -4.053 1.00 0.00 N ATOM 568 CA GLU A 36 4.085 -28.810 -3.816 1.00 0.00 C ATOM 569 C GLU A 36 2.964 -28.864 -4.880 1.00 0.00 C ATOM 570 O GLU A 36 1.770 -28.985 -4.571 1.00 0.00 O ATOM 571 CB GLU A 36 4.828 -27.438 -3.773 1.00 0.00 C ATOM 572 CG GLU A 36 3.967 -26.129 -3.763 1.00 0.00 C ATOM 573 CD GLU A 36 2.973 -25.999 -2.604 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.353 -26.176 -1.449 1.00 0.00 O ATOM 575 OE2 GLU A 36 1.820 -25.676 -2.892 1.00 0.00 O ATOM 0 H GLU A 36 6.017 -29.453 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 36 3.570 -28.976 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.458 -27.429 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.493 -27.392 -4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.641 -25.273 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.414 -26.072 -4.701 1.00 0.00 H new ATOM 582 N ARG A 37 3.392 -28.816 -6.148 1.00 0.00 N ATOM 583 CA ARG A 37 2.524 -29.021 -7.305 1.00 0.00 C ATOM 584 C ARG A 37 1.857 -30.407 -7.286 1.00 0.00 C ATOM 585 O ARG A 37 0.649 -30.482 -7.491 1.00 0.00 O ATOM 586 CB ARG A 37 3.354 -28.798 -8.595 1.00 0.00 C ATOM 587 CG ARG A 37 3.631 -27.295 -8.854 1.00 0.00 C ATOM 588 CD ARG A 37 4.825 -27.024 -9.781 1.00 0.00 C ATOM 589 NE ARG A 37 4.622 -27.624 -11.099 1.00 0.00 N ATOM 590 CZ ARG A 37 5.443 -27.503 -12.106 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.416 -26.672 -12.174 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.255 -28.231 -13.133 1.00 0.00 N ATOM 0 H ARG A 37 4.364 -28.631 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 37 1.709 -28.298 -7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.301 -29.333 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.821 -29.221 -9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.739 -26.842 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.808 -26.800 -7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.969 -25.949 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.734 -27.425 -9.333 1.00 0.00 H new ATOM 0 HE ARG A 37 3.777 -28.177 -11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.598 -26.035 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.009 -26.647 -13.004 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.477 -28.890 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.883 -28.156 -13.933 1.00 0.00 H new ATOM 606 N ALA A 38 2.581 -31.507 -7.032 1.00 0.00 N ATOM 607 CA ALA A 38 1.987 -32.832 -6.874 1.00 0.00 C ATOM 608 C ALA A 38 1.303 -33.149 -5.523 1.00 0.00 C ATOM 609 O ALA A 38 0.711 -34.220 -5.382 1.00 0.00 O ATOM 610 CB ALA A 38 2.991 -33.872 -7.342 1.00 0.00 C ATOM 0 H ALA A 38 3.596 -31.497 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 38 1.107 -32.857 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.562 -34.868 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.234 -33.697 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.898 -33.798 -6.742 1.00 0.00 H new ATOM 616 N ALA A 39 1.362 -32.283 -4.501 1.00 0.00 N ATOM 617 CA ALA A 39 0.302 -32.213 -3.490 1.00 0.00 C ATOM 618 C ALA A 39 -1.031 -31.731 -4.099 1.00 0.00 C ATOM 619 O ALA A 39 -2.073 -32.349 -3.857 1.00 0.00 O ATOM 620 CB ALA A 39 0.743 -31.305 -2.325 1.00 0.00 C ATOM 0 H ALA A 39 2.128 -31.626 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 39 0.132 -33.218 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.050 -31.259 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.646 -31.711 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.945 -30.302 -2.702 1.00 0.00 H new ATOM 626 N ARG A 40 -1.005 -30.654 -4.903 1.00 0.00 N ATOM 627 CA ARG A 40 -2.189 -30.168 -5.634 1.00 0.00 C ATOM 628 C ARG A 40 -2.623 -31.015 -6.860 1.00 0.00 C ATOM 629 O ARG A 40 -3.772 -30.910 -7.294 1.00 0.00 O ATOM 630 CB ARG A 40 -1.949 -28.691 -6.027 1.00 0.00 C ATOM 631 CG ARG A 40 -1.978 -27.746 -4.795 1.00 0.00 C ATOM 632 CD ARG A 40 -0.781 -26.792 -4.716 1.00 0.00 C ATOM 633 NE ARG A 40 -0.814 -25.860 -5.840 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.052 -24.812 -5.973 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.842 -24.437 -5.132 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.207 -24.096 -7.016 1.00 0.00 N ATOM 0 H ARG A 40 -0.166 -30.097 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.034 -30.267 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.986 -28.602 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.711 -28.378 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.896 -27.160 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.010 -28.349 -3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.805 -26.242 -3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.149 -27.360 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.489 -26.045 -6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.998 -24.975 -4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.396 -23.601 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.909 -24.352 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.371 -23.267 -7.156 1.00 0.00 H new ATOM 650 N ILE A 41 -1.747 -31.826 -7.475 1.00 0.00 N ATOM 651 CA ILE A 41 -2.102 -32.863 -8.455 1.00 0.00 C ATOM 652 C ILE A 41 -2.892 -33.988 -7.765 1.00 0.00 C ATOM 653 O ILE A 41 -2.416 -34.818 -6.994 1.00 0.00 O ATOM 654 CB ILE A 41 -0.903 -33.368 -9.350 1.00 0.00 C ATOM 655 CG1 ILE A 41 -0.323 -32.081 -10.016 1.00 0.00 C ATOM 656 CG2 ILE A 41 -1.423 -34.379 -10.378 1.00 0.00 C ATOM 657 CD1 ILE A 41 0.855 -32.052 -10.969 1.00 0.00 C ATOM 0 H ILE A 41 -0.744 -31.776 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.757 -32.398 -9.192 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.128 -33.885 -8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.153 -31.621 -10.552 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.062 -31.411 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.596 -34.728 -10.996 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.871 -35.227 -9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.172 -33.902 -11.010 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.045 -31.025 -11.281 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.738 -32.449 -10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.630 -32.661 -11.844 1.00 0.00 H new ATOM 669 N LYS A 42 -4.192 -33.784 -7.898 1.00 0.00 N ATOM 670 CA LYS A 42 -5.234 -34.674 -7.367 1.00 0.00 C ATOM 671 C LYS A 42 -6.066 -35.426 -8.435 1.00 0.00 C ATOM 672 O LYS A 42 -7.215 -35.796 -8.184 1.00 0.00 O ATOM 673 CB LYS A 42 -6.132 -33.866 -6.382 1.00 0.00 C ATOM 674 CG LYS A 42 -5.419 -33.251 -5.142 1.00 0.00 C ATOM 675 CD LYS A 42 -5.154 -34.157 -3.905 1.00 0.00 C ATOM 676 CE LYS A 42 -4.094 -35.276 -3.973 1.00 0.00 C ATOM 677 NZ LYS A 42 -2.806 -34.759 -4.430 1.00 0.00 N ATOM 0 H LYS A 42 -4.571 -32.975 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.724 -35.479 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.608 -33.058 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.928 -34.522 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.459 -32.857 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.013 -32.401 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.879 -33.502 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.102 -34.626 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.978 -35.730 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.434 -36.061 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.056 -35.441 -4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.835 -34.615 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.609 -33.853 -3.959 1.00 0.00 H new ATOM 691 N ILE A 43 -5.503 -35.690 -9.624 1.00 0.00 N ATOM 692 CA ILE A 43 -6.230 -36.305 -10.752 1.00 0.00 C ATOM 693 C ILE A 43 -6.629 -37.783 -10.550 1.00 0.00 C ATOM 694 O ILE A 43 -7.645 -38.233 -11.082 1.00 0.00 O ATOM 695 CB ILE A 43 -5.469 -36.113 -12.108 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.058 -36.776 -12.136 1.00 0.00 C ATOM 697 CG2 ILE A 43 -5.412 -34.601 -12.437 1.00 0.00 C ATOM 698 CD1 ILE A 43 -3.389 -36.808 -13.528 1.00 0.00 C ATOM 0 H ILE A 43 -4.527 -35.483 -9.834 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.172 -35.758 -10.791 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.026 -36.637 -12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.406 -36.240 -11.446 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.144 -37.797 -11.765 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.884 -34.453 -13.379 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.425 -34.209 -12.523 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.886 -34.075 -11.640 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.413 -37.286 -13.452 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.016 -37.371 -14.220 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.266 -35.789 -13.896 1.00 0.00 H new ATOM 710 N GLY A 44 -5.832 -38.540 -9.787 1.00 0.00 N ATOM 711 CA GLY A 44 -6.133 -39.935 -9.440 1.00 0.00 C ATOM 712 C GLY A 44 -5.169 -40.516 -8.384 1.00 0.00 C ATOM 713 O GLY A 44 -3.969 -40.279 -8.543 1.00 0.00 O ATOM 0 H GLY A 44 -4.955 -38.201 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.154 -39.998 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.086 -40.546 -10.342 1.00 0.00 H new ATOM 717 N PRO A 45 -5.570 -41.289 -7.343 1.00 0.00 N ATOM 718 CA PRO A 45 -4.693 -41.699 -6.225 1.00 0.00 C ATOM 719 C PRO A 45 -3.473 -42.576 -6.586 1.00 0.00 C ATOM 720 O PRO A 45 -2.368 -42.302 -6.108 1.00 0.00 O ATOM 721 CB PRO A 45 -5.658 -42.375 -5.233 1.00 0.00 C ATOM 722 CG PRO A 45 -6.771 -42.907 -6.115 1.00 0.00 C ATOM 723 CD PRO A 45 -6.933 -41.802 -7.158 1.00 0.00 C ATOM 0 HA PRO A 45 -4.180 -40.830 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.167 -43.177 -4.681 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.036 -41.666 -4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.504 -43.860 -6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.690 -43.070 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.344 -42.190 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.610 -41.021 -6.811 1.00 0.00 H new ATOM 731 N LYS A 46 -3.637 -43.605 -7.434 1.00 0.00 N ATOM 732 CA LYS A 46 -2.523 -44.416 -7.940 1.00 0.00 C ATOM 733 C LYS A 46 -1.640 -43.605 -8.917 1.00 0.00 C ATOM 734 O LYS A 46 -0.428 -43.829 -8.980 1.00 0.00 O ATOM 735 CB LYS A 46 -3.079 -45.721 -8.594 1.00 0.00 C ATOM 736 CG LYS A 46 -2.243 -47.018 -8.359 1.00 0.00 C ATOM 737 CD LYS A 46 -0.824 -47.042 -8.978 1.00 0.00 C ATOM 738 CE LYS A 46 -0.144 -48.400 -8.820 1.00 0.00 C ATOM 739 NZ LYS A 46 1.226 -48.286 -9.310 1.00 0.00 N ATOM 0 H LYS A 46 -4.549 -43.896 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.881 -44.701 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.088 -45.890 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.163 -45.557 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.150 -47.175 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.804 -47.863 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.888 -46.792 -10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.211 -46.274 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.149 -48.708 -7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.685 -49.163 -9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.543 -49.208 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.264 -47.581 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.849 -47.988 -8.533 1.00 0.00 H new ATOM 753 N CYS A 47 -2.233 -42.634 -9.643 1.00 0.00 N ATOM 754 CA CYS A 47 -1.496 -41.727 -10.526 1.00 0.00 C ATOM 755 C CYS A 47 -0.574 -40.846 -9.675 1.00 0.00 C ATOM 756 O CYS A 47 0.627 -40.938 -9.909 1.00 0.00 O ATOM 757 CB CYS A 47 -2.443 -40.869 -11.415 1.00 0.00 C ATOM 758 SG CYS A 47 -1.917 -40.574 -13.132 1.00 0.00 S ATOM 0 H CYS A 47 -3.238 -42.463 -9.628 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.897 -42.322 -11.215 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.419 -41.354 -11.438 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.579 -39.902 -10.931 1.00 0.00 H new ATOM 763 N VAL A 48 -1.043 -40.044 -8.693 1.00 0.00 N ATOM 764 CA VAL A 48 -0.141 -39.384 -7.741 1.00 0.00 C ATOM 765 C VAL A 48 0.816 -40.305 -6.979 1.00 0.00 C ATOM 766 O VAL A 48 1.928 -39.866 -6.725 1.00 0.00 O ATOM 767 CB VAL A 48 -0.778 -38.383 -6.732 1.00 0.00 C ATOM 768 CG1 VAL A 48 -0.244 -36.990 -7.050 1.00 0.00 C ATOM 769 CG2 VAL A 48 -2.302 -38.349 -6.719 1.00 0.00 C ATOM 0 H VAL A 48 -2.032 -39.844 -8.545 1.00 0.00 H new ATOM 0 HA VAL A 48 0.433 -38.796 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.496 -38.727 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.675 -36.268 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.841 -36.985 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.516 -36.720 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.643 -37.621 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.668 -38.067 -7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.686 -39.335 -6.458 1.00 0.00 H new ATOM 779 N LYS A 49 0.459 -41.532 -6.578 1.00 0.00 N ATOM 780 CA LYS A 49 1.446 -42.478 -6.027 1.00 0.00 C ATOM 781 C LYS A 49 2.627 -42.735 -6.999 1.00 0.00 C ATOM 782 O LYS A 49 3.776 -42.458 -6.634 1.00 0.00 O ATOM 783 CB LYS A 49 0.713 -43.770 -5.581 1.00 0.00 C ATOM 784 CG LYS A 49 1.559 -44.742 -4.730 1.00 0.00 C ATOM 785 CD LYS A 49 0.704 -45.928 -4.221 1.00 0.00 C ATOM 786 CE LYS A 49 1.517 -47.010 -3.491 1.00 0.00 C ATOM 787 NZ LYS A 49 2.185 -47.849 -4.482 1.00 0.00 N ATOM 0 H LYS A 49 -0.494 -41.893 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 49 1.916 -42.038 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.172 -43.489 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.366 -44.297 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.392 -45.119 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.988 -44.208 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.064 -45.548 -3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.189 -46.383 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.252 -46.548 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.862 -47.615 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.669 -48.635 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.481 -48.230 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.882 -47.281 -5.005 1.00 0.00 H new ATOM 801 N ALA A 50 2.366 -43.160 -8.249 1.00 0.00 N ATOM 802 CA ALA A 50 3.386 -43.289 -9.302 1.00 0.00 C ATOM 803 C ALA A 50 4.107 -41.959 -9.603 1.00 0.00 C ATOM 804 O ALA A 50 5.330 -41.883 -9.464 1.00 0.00 O ATOM 805 CB ALA A 50 2.703 -43.917 -10.547 1.00 0.00 C ATOM 0 H ALA A 50 1.431 -43.426 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 50 4.187 -43.946 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.435 -44.026 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.302 -44.896 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.892 -43.270 -10.882 1.00 0.00 H new ATOM 811 N PHE A 51 3.347 -40.904 -9.916 1.00 0.00 N ATOM 812 CA PHE A 51 3.852 -39.566 -10.221 1.00 0.00 C ATOM 813 C PHE A 51 4.671 -38.934 -9.089 1.00 0.00 C ATOM 814 O PHE A 51 5.836 -38.598 -9.314 1.00 0.00 O ATOM 815 CB PHE A 51 2.610 -38.712 -10.531 1.00 0.00 C ATOM 816 CG PHE A 51 2.899 -37.279 -10.960 1.00 0.00 C ATOM 817 CD1 PHE A 51 3.280 -37.018 -12.261 1.00 0.00 C ATOM 818 CD2 PHE A 51 2.504 -36.212 -10.173 1.00 0.00 C ATOM 819 CE1 PHE A 51 3.272 -35.745 -12.781 1.00 0.00 C ATOM 820 CE2 PHE A 51 2.462 -34.945 -10.691 1.00 0.00 C ATOM 821 CZ PHE A 51 2.857 -34.702 -11.991 1.00 0.00 C ATOM 0 H PHE A 51 2.330 -40.963 -9.965 1.00 0.00 H new ATOM 0 HA PHE A 51 4.547 -39.625 -11.059 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.039 -39.202 -11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.975 -38.688 -9.645 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.594 -37.838 -12.889 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.227 -36.379 -9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.588 -35.568 -13.798 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.116 -34.127 -10.076 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.840 -33.696 -12.385 1.00 0.00 H new ATOM 831 N LYS A 52 4.098 -38.792 -7.881 1.00 0.00 N ATOM 832 CA LYS A 52 4.770 -38.107 -6.785 1.00 0.00 C ATOM 833 C LYS A 52 5.945 -38.956 -6.232 1.00 0.00 C ATOM 834 O LYS A 52 6.895 -38.377 -5.685 1.00 0.00 O ATOM 835 CB LYS A 52 3.793 -37.708 -5.644 1.00 0.00 C ATOM 836 CG LYS A 52 4.368 -36.630 -4.684 1.00 0.00 C ATOM 837 CD LYS A 52 4.209 -36.928 -3.172 1.00 0.00 C ATOM 838 CE LYS A 52 4.967 -38.158 -2.634 1.00 0.00 C ATOM 839 NZ LYS A 52 6.390 -38.069 -2.960 1.00 0.00 N ATOM 0 H LYS A 52 3.170 -39.146 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 52 5.174 -37.182 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.867 -37.336 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.538 -38.597 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.429 -36.504 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.882 -35.679 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.539 -36.052 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.148 -37.060 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.840 -38.227 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.546 -39.067 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.895 -38.871 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.512 -38.094 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.776 -37.178 -2.588 1.00 0.00 H new ATOM 853 N ASP A 53 5.922 -40.313 -6.301 1.00 0.00 N ATOM 854 CA ASP A 53 7.097 -41.101 -5.909 1.00 0.00 C ATOM 855 C ASP A 53 8.234 -41.045 -6.941 1.00 0.00 C ATOM 856 O ASP A 53 9.376 -40.832 -6.529 1.00 0.00 O ATOM 857 CB ASP A 53 6.734 -42.556 -5.520 1.00 0.00 C ATOM 858 CG ASP A 53 5.974 -42.655 -4.191 1.00 0.00 C ATOM 859 OD1 ASP A 53 6.094 -41.779 -3.335 1.00 0.00 O ATOM 860 OD2 ASP A 53 5.301 -43.671 -4.004 1.00 0.00 O ATOM 0 H ASP A 53 5.122 -40.862 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 53 7.483 -40.622 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.128 -42.996 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.648 -43.146 -5.453 1.00 0.00 H new ATOM 865 N CYS A 54 7.966 -41.207 -8.249 1.00 0.00 N ATOM 866 CA CYS A 54 8.951 -40.909 -9.295 1.00 0.00 C ATOM 867 C CYS A 54 9.474 -39.457 -9.239 1.00 0.00 C ATOM 868 O CYS A 54 10.686 -39.276 -9.367 1.00 0.00 O ATOM 869 CB CYS A 54 8.351 -41.203 -10.686 1.00 0.00 C ATOM 870 SG CYS A 54 8.759 -42.796 -11.457 1.00 0.00 S ATOM 0 H CYS A 54 7.071 -41.544 -8.604 1.00 0.00 H new ATOM 0 HA CYS A 54 9.808 -41.558 -9.114 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.266 -41.137 -10.605 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.669 -40.410 -11.363 1.00 0.00 H new ATOM 875 N CYS A 55 8.617 -38.436 -9.031 1.00 0.00 N ATOM 876 CA CYS A 55 9.046 -37.047 -8.790 1.00 0.00 C ATOM 877 C CYS A 55 9.964 -36.893 -7.562 1.00 0.00 C ATOM 878 O CYS A 55 10.994 -36.226 -7.685 1.00 0.00 O ATOM 879 CB CYS A 55 7.820 -36.066 -8.815 1.00 0.00 C ATOM 880 SG CYS A 55 7.598 -34.860 -7.473 1.00 0.00 S ATOM 0 H CYS A 55 7.604 -38.555 -9.026 1.00 0.00 H new ATOM 0 HA CYS A 55 9.687 -36.754 -9.621 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.871 -35.507 -9.749 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.917 -36.675 -8.857 1.00 0.00 H new ATOM 885 N TYR A 56 9.648 -37.502 -6.404 1.00 0.00 N ATOM 886 CA TYR A 56 10.557 -37.540 -5.254 1.00 0.00 C ATOM 887 C TYR A 56 11.918 -38.190 -5.582 1.00 0.00 C ATOM 888 O TYR A 56 12.946 -37.603 -5.232 1.00 0.00 O ATOM 889 CB TYR A 56 9.844 -38.237 -4.060 1.00 0.00 C ATOM 890 CG TYR A 56 10.733 -38.321 -2.807 1.00 0.00 C ATOM 891 CD1 TYR A 56 11.206 -37.187 -2.164 1.00 0.00 C ATOM 892 CD2 TYR A 56 11.146 -39.545 -2.312 1.00 0.00 C ATOM 893 CE1 TYR A 56 12.070 -37.271 -1.089 1.00 0.00 C ATOM 894 CE2 TYR A 56 12.009 -39.639 -1.239 1.00 0.00 C ATOM 895 CZ TYR A 56 12.474 -38.502 -0.633 1.00 0.00 C ATOM 896 OH TYR A 56 13.348 -38.609 0.400 1.00 0.00 O ATOM 0 H TYR A 56 8.760 -37.977 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 56 10.796 -36.514 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.932 -37.692 -3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.545 -39.242 -4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.891 -36.214 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.784 -40.450 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.426 -36.372 -0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.318 -40.609 -0.877 1.00 0.00 H new ATOM 0 HH TYR A 56 13.519 -39.556 0.587 1.00 0.00 H new ATOM 906 N ILE A 57 11.967 -39.352 -6.260 1.00 0.00 N ATOM 907 CA ILE A 57 13.242 -39.982 -6.652 1.00 0.00 C ATOM 908 C ILE A 57 14.021 -39.137 -7.680 1.00 0.00 C ATOM 909 O ILE A 57 15.241 -38.996 -7.573 1.00 0.00 O ATOM 910 CB ILE A 57 13.091 -41.466 -7.133 1.00 0.00 C ATOM 911 CG1 ILE A 57 12.132 -42.355 -6.293 1.00 0.00 C ATOM 912 CG2 ILE A 57 14.470 -42.171 -7.195 1.00 0.00 C ATOM 913 CD1 ILE A 57 12.278 -42.220 -4.769 1.00 0.00 C ATOM 0 H ILE A 57 11.139 -39.873 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 57 13.831 -40.019 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 57 12.640 -41.368 -8.120 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.105 -42.112 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.296 -43.397 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.338 -43.199 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.118 -41.641 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.925 -42.169 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.565 -42.881 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.291 -42.494 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.081 -41.189 -4.475 1.00 0.00 H new ATOM 925 N ALA A 58 13.313 -38.553 -8.655 1.00 0.00 N ATOM 926 CA ALA A 58 13.876 -37.573 -9.594 1.00 0.00 C ATOM 927 C ALA A 58 14.436 -36.312 -8.898 1.00 0.00 C ATOM 928 O ALA A 58 15.532 -35.864 -9.242 1.00 0.00 O ATOM 929 CB ALA A 58 12.811 -37.214 -10.623 1.00 0.00 C ATOM 0 H ALA A 58 12.325 -38.749 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 58 14.733 -38.031 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.216 -36.487 -11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.509 -38.112 -11.162 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.946 -36.786 -10.117 1.00 0.00 H new ATOM 935 N ASN A 59 13.712 -35.740 -7.920 1.00 0.00 N ATOM 936 CA ASN A 59 14.214 -34.661 -7.061 1.00 0.00 C ATOM 937 C ASN A 59 15.407 -35.102 -6.182 1.00 0.00 C ATOM 938 O ASN A 59 16.343 -34.321 -6.007 1.00 0.00 O ATOM 939 CB ASN A 59 13.041 -34.135 -6.189 1.00 0.00 C ATOM 940 CG ASN A 59 13.357 -32.781 -5.559 1.00 0.00 C ATOM 941 OD1 ASN A 59 12.938 -31.743 -6.056 1.00 0.00 O ATOM 942 ND2 ASN A 59 14.091 -32.718 -4.464 1.00 0.00 N ATOM 0 H ASN A 59 12.755 -36.018 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 59 14.595 -33.863 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.144 -34.049 -6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.821 -34.858 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.302 -31.813 -4.043 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.447 -33.574 -4.039 1.00 0.00 H new ATOM 949 N GLN A 60 15.372 -36.315 -5.606 1.00 0.00 N ATOM 950 CA GLN A 60 16.507 -36.938 -4.909 1.00 0.00 C ATOM 951 C GLN A 60 17.751 -37.082 -5.814 1.00 0.00 C ATOM 952 O GLN A 60 18.851 -36.726 -5.387 1.00 0.00 O ATOM 953 CB GLN A 60 16.013 -38.311 -4.388 1.00 0.00 C ATOM 954 CG GLN A 60 16.976 -39.132 -3.496 1.00 0.00 C ATOM 955 CD GLN A 60 16.334 -40.478 -3.142 1.00 0.00 C ATOM 956 OE1 GLN A 60 16.541 -41.487 -3.812 1.00 0.00 O ATOM 957 NE2 GLN A 60 15.528 -40.569 -2.101 1.00 0.00 N ATOM 0 H GLN A 60 14.537 -36.901 -5.613 1.00 0.00 H new ATOM 0 HA GLN A 60 16.833 -36.304 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.094 -38.145 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.752 -38.923 -5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.920 -39.294 -4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.206 -38.577 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.340 -39.746 -1.528 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.093 -41.462 -1.869 1.00 0.00 H new ATOM 966 N VAL A 61 17.592 -37.575 -7.056 1.00 0.00 N ATOM 967 CA VAL A 61 18.661 -37.579 -8.067 1.00 0.00 C ATOM 968 C VAL A 61 19.121 -36.156 -8.448 1.00 0.00 C ATOM 969 O VAL A 61 20.328 -35.917 -8.426 1.00 0.00 O ATOM 970 CB VAL A 61 18.254 -38.431 -9.318 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.271 -38.386 -10.483 1.00 0.00 C ATOM 972 CG2 VAL A 61 18.090 -39.918 -8.941 1.00 0.00 C ATOM 0 H VAL A 61 16.717 -37.982 -7.386 1.00 0.00 H new ATOM 0 HA VAL A 61 19.529 -38.060 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 61 17.319 -37.980 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.909 -39.003 -11.306 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.388 -37.358 -10.825 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.234 -38.766 -10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.807 -40.489 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.032 -40.300 -8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.314 -40.017 -8.182 1.00 0.00 H new ATOM 982 N ARG A 62 18.232 -35.198 -8.770 1.00 0.00 N ATOM 983 CA ARG A 62 18.624 -33.809 -9.060 1.00 0.00 C ATOM 984 C ARG A 62 19.203 -33.012 -7.868 1.00 0.00 C ATOM 985 O ARG A 62 19.905 -32.025 -8.093 1.00 0.00 O ATOM 986 CB ARG A 62 17.467 -33.034 -9.740 1.00 0.00 C ATOM 987 CG ARG A 62 17.204 -33.530 -11.186 1.00 0.00 C ATOM 988 CD ARG A 62 16.230 -32.639 -11.971 1.00 0.00 C ATOM 989 NE ARG A 62 16.880 -31.356 -12.222 1.00 0.00 N ATOM 990 CZ ARG A 62 16.433 -30.396 -12.984 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.339 -30.429 -13.659 1.00 0.00 N ATOM 992 NH2 ARG A 62 17.152 -29.344 -13.057 1.00 0.00 N ATOM 0 H ARG A 62 17.228 -35.365 -8.836 1.00 0.00 H new ATOM 0 HA ARG A 62 19.460 -33.903 -9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.559 -33.146 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.706 -31.971 -9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.151 -33.580 -11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.806 -34.544 -11.147 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.955 -33.115 -12.912 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.309 -32.494 -11.406 1.00 0.00 H new ATOM 0 HE ARG A 62 17.772 -31.194 -11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.742 -31.256 -13.623 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.068 -29.629 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.026 -29.287 -12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.852 -28.561 -13.638 1.00 0.00 H new ATOM 1006 N ALA A 63 18.912 -33.361 -6.604 1.00 0.00 N ATOM 1007 CA ALA A 63 19.674 -32.861 -5.453 1.00 0.00 C ATOM 1008 C ALA A 63 21.075 -33.499 -5.315 1.00 0.00 C ATOM 1009 O ALA A 63 22.023 -32.832 -4.900 1.00 0.00 O ATOM 1010 CB ALA A 63 18.845 -33.084 -4.172 1.00 0.00 C ATOM 0 H ALA A 63 18.150 -33.991 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 63 19.852 -31.798 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.401 -32.716 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.901 -32.545 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.646 -34.148 -4.048 1.00 0.00 H new ATOM 1016 N GLU A 64 21.205 -34.795 -5.632 1.00 0.00 N ATOM 1017 CA GLU A 64 22.483 -35.514 -5.645 1.00 0.00 C ATOM 1018 C GLU A 64 23.357 -35.191 -6.879 1.00 0.00 C ATOM 1019 O GLU A 64 24.571 -35.020 -6.748 1.00 0.00 O ATOM 1020 CB GLU A 64 22.123 -37.018 -5.567 1.00 0.00 C ATOM 1021 CG GLU A 64 23.308 -38.019 -5.431 1.00 0.00 C ATOM 1022 CD GLU A 64 22.806 -39.464 -5.382 1.00 0.00 C ATOM 1023 OE1 GLU A 64 22.320 -39.957 -6.399 1.00 0.00 O ATOM 1024 OE2 GLU A 64 22.898 -40.072 -4.320 1.00 0.00 O ATOM 0 H GLU A 64 20.411 -35.381 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 64 23.099 -35.203 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.456 -37.164 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.559 -37.279 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.990 -37.896 -6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.874 -37.797 -4.526 1.00 0.00 H new ATOM 1031 N GLN A 65 22.792 -35.142 -8.094 1.00 0.00 N ATOM 1032 CA GLN A 65 23.519 -34.771 -9.315 1.00 0.00 C ATOM 1033 C GLN A 65 22.813 -33.662 -10.129 1.00 0.00 C ATOM 1034 O GLN A 65 23.414 -32.603 -10.297 1.00 0.00 O ATOM 1035 CB GLN A 65 23.747 -36.038 -10.209 1.00 0.00 C ATOM 1036 CG GLN A 65 24.628 -37.179 -9.610 1.00 0.00 C ATOM 1037 CD GLN A 65 26.095 -36.776 -9.430 1.00 0.00 C ATOM 1038 OE1 GLN A 65 26.944 -37.108 -10.245 1.00 0.00 O ATOM 1039 NE2 GLN A 65 26.487 -36.071 -8.385 1.00 0.00 N ATOM 0 H GLN A 65 21.809 -35.361 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 65 24.479 -34.362 -8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.772 -36.458 -10.457 1.00 0.00 H new ATOM 0 HB3 GLN A 65 24.202 -35.715 -11.145 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.219 -37.477 -8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 65 24.575 -38.051 -10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 65 25.807 -35.776 -7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 65 27.470 -35.821 -8.278 1.00 0.00 H new ATOM 1048 N SER A 66 21.691 -33.861 -10.603 1.00 0.00 N TER 1049 SER A 66