USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 36 CYS SG : rot 26:sc= -0.405 USER MOD Set 1.2: A 39 CYS SG : rot -89:sc= -3.33 USER MOD Set 1.3: A 44 HIS : no HE2:sc= -8.58! C(o=-13!,f=-13!) USER MOD Set 1.4: A 49 CYS SG : rot 78:sc= -0.358 USER MOD Set 2.1: A 15 CYS SG : rot 116:sc= -0.261 USER MOD Set 2.2: A 17 ASN : amide:sc= -1.74! C(o=-11!,f=-11!) USER MOD Set 2.3: A 18 CYS SG : rot -77:sc= -1.41 USER MOD Set 2.4: A 23 HIS : no HD1:sc= -3.74! C(o=-11!,f=-14!) USER MOD Set 2.5: A 28 CYS SG : rot 101:sc= -3.41! USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.64! C(o=-7.2!,f=-1.6!) USER MOD Single : A 9 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00462 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -104:sc= -0.289 (180deg=-1.13) USER MOD Single : A 27 ASN :FLIP amide:sc= -2.93 F(o=-5.8,f=-2.9) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.53! C(o=-6.5!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0212) USER MOD Single : A 50 THR OG1 : rot -29:sc= 0.0992! USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 -30.235 5.702 6.066 1.00 0.00 N ATOM 19 CA GLN A 2 -31.259 6.728 5.966 1.00 0.00 C ATOM 20 C GLN A 2 -32.633 6.089 5.759 1.00 0.00 C ATOM 21 O GLN A 2 -33.539 6.280 6.569 1.00 0.00 O ATOM 22 CB GLN A 2 -30.938 7.714 4.841 1.00 0.00 C ATOM 23 CG GLN A 2 -30.694 9.119 5.397 1.00 0.00 C ATOM 24 CD GLN A 2 -31.893 10.031 5.127 1.00 0.00 C ATOM 25 OE1 GLN A 2 -31.994 10.679 4.098 1.00 0.00 O ATOM 26 NE2 GLN A 2 -32.793 10.044 6.106 1.00 0.00 N ATOM 0 HA GLN A 2 -31.278 7.287 6.901 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -30.056 7.376 4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -31.762 7.739 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -30.510 9.063 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.799 9.544 4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -32.646 9.477 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -33.630 10.621 6.022 1.00 0.00 H new ATOM 35 N LYS A 3 -32.745 5.342 4.671 1.00 0.00 N ATOM 36 CA LYS A 3 -33.994 4.673 4.348 1.00 0.00 C ATOM 37 C LYS A 3 -34.369 3.723 5.488 1.00 0.00 C ATOM 38 O LYS A 3 -35.531 3.649 5.882 1.00 0.00 O ATOM 39 CB LYS A 3 -33.898 3.989 2.983 1.00 0.00 C ATOM 40 CG LYS A 3 -32.882 2.845 3.013 1.00 0.00 C ATOM 41 CD LYS A 3 -32.901 2.060 1.700 1.00 0.00 C ATOM 42 CE LYS A 3 -31.772 1.028 1.663 1.00 0.00 C ATOM 43 NZ LYS A 3 -31.466 0.646 0.266 1.00 0.00 N ATOM 0 H LYS A 3 -31.991 5.185 4.002 1.00 0.00 H new ATOM 0 HA LYS A 3 -34.803 5.398 4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -34.876 3.604 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -33.608 4.718 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.883 3.245 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -33.106 2.176 3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -33.862 1.558 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -32.799 2.747 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.881 1.438 2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -32.060 0.145 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -30.698 -0.055 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -32.314 0.236 -0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -31.171 1.489 -0.268 1.00 0.00 H new ATOM 57 N GLY A 4 -33.361 3.019 5.984 1.00 0.00 N ATOM 58 CA GLY A 4 -33.570 2.076 7.069 1.00 0.00 C ATOM 59 C GLY A 4 -34.143 2.778 8.302 1.00 0.00 C ATOM 60 O GLY A 4 -34.747 2.138 9.160 1.00 0.00 O ATOM 0 H GLY A 4 -32.398 3.083 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.251 1.288 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.626 1.596 7.325 1.00 0.00 H new ATOM 64 N ASN A 5 -33.933 4.085 8.351 1.00 0.00 N ATOM 65 CA ASN A 5 -34.421 4.881 9.463 1.00 0.00 C ATOM 66 C ASN A 5 -35.948 4.798 9.513 1.00 0.00 C ATOM 67 O ASN A 5 -36.537 4.781 10.592 1.00 0.00 O ATOM 68 CB ASN A 5 -34.033 6.352 9.302 1.00 0.00 C ATOM 69 CG ASN A 5 -34.296 7.134 10.589 1.00 0.00 C ATOM 70 OD1 ASN A 5 -35.324 7.770 10.762 1.00 0.00 O ATOM 71 ND2 ASN A 5 -33.314 7.052 11.483 1.00 0.00 N ATOM 0 H ASN A 5 -33.431 4.613 7.637 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.976 4.489 10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -32.978 6.426 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -34.600 6.793 8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -33.395 7.538 12.376 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.480 6.503 11.276 1.00 0.00 H new ATOM 78 N PHE A 6 -36.545 4.748 8.331 1.00 0.00 N ATOM 79 CA PHE A 6 -37.992 4.668 8.227 1.00 0.00 C ATOM 80 C PHE A 6 -38.524 3.420 8.934 1.00 0.00 C ATOM 81 O PHE A 6 -39.725 3.300 9.170 1.00 0.00 O ATOM 82 CB PHE A 6 -38.329 4.579 6.737 1.00 0.00 C ATOM 83 CG PHE A 6 -39.780 4.929 6.404 1.00 0.00 C ATOM 84 CD1 PHE A 6 -40.179 6.229 6.389 1.00 0.00 C ATOM 85 CD2 PHE A 6 -40.672 3.941 6.124 1.00 0.00 C ATOM 86 CE1 PHE A 6 -41.527 6.554 6.081 1.00 0.00 C ATOM 87 CE2 PHE A 6 -42.019 4.266 5.815 1.00 0.00 C ATOM 88 CZ PHE A 6 -42.418 5.567 5.801 1.00 0.00 C ATOM 0 H PHE A 6 -36.053 4.761 7.438 1.00 0.00 H new ATOM 0 HA PHE A 6 -38.448 5.540 8.696 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -37.669 5.249 6.185 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -38.121 3.568 6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -39.471 7.014 6.611 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -40.355 2.909 6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -41.844 7.586 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -42.727 3.481 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 6 -43.443 5.815 5.567 1.00 0.00 H new ATOM 98 N ARG A 7 -37.604 2.521 9.251 1.00 0.00 N ATOM 99 CA ARG A 7 -37.965 1.286 9.926 1.00 0.00 C ATOM 100 C ARG A 7 -38.679 1.590 11.244 1.00 0.00 C ATOM 101 O ARG A 7 -39.308 0.712 11.831 1.00 0.00 O ATOM 102 CB ARG A 7 -36.728 0.431 10.209 1.00 0.00 C ATOM 103 CG ARG A 7 -37.125 -0.993 10.604 1.00 0.00 C ATOM 104 CD ARG A 7 -36.002 -1.678 11.385 1.00 0.00 C ATOM 105 NE ARG A 7 -34.941 -2.127 10.456 1.00 0.00 N ATOM 106 CZ ARG A 7 -34.033 -3.067 10.751 1.00 0.00 C ATOM 107 NH1 ARG A 7 -34.052 -3.664 11.951 1.00 0.00 N ATOM 108 NH2 ARG A 7 -33.106 -3.411 9.846 1.00 0.00 N ATOM 0 H ARG A 7 -36.609 2.623 9.053 1.00 0.00 H new ATOM 0 HA ARG A 7 -38.633 0.731 9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -36.091 0.403 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -36.143 0.885 11.009 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -38.031 -0.967 11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -37.356 -1.571 9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -35.586 -0.989 12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -36.399 -2.530 11.936 1.00 0.00 H new ATOM 0 HE ARG A 7 -34.898 -1.694 9.534 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.758 -3.403 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.361 -4.380 12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -33.092 -2.957 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.415 -4.127 10.071 1.00 0.00 H new ATOM 122 N ASN A 8 -38.557 2.838 11.671 1.00 0.00 N ATOM 123 CA ASN A 8 -39.183 3.271 12.909 1.00 0.00 C ATOM 124 C ASN A 8 -40.696 3.072 12.807 1.00 0.00 C ATOM 125 O ASN A 8 -41.404 3.139 13.811 1.00 0.00 O ATOM 126 CB ASN A 8 -38.917 4.754 13.172 1.00 0.00 C ATOM 127 CG ASN A 8 -39.733 5.634 12.223 1.00 0.00 C ATOM 128 OD1 ASN A 8 -41.019 5.733 12.549 1.00 0.00 O flip ATOM 129 ND2 ASN A 8 -39.229 6.187 11.260 1.00 0.00 N flip ATOM 0 H ASN A 8 -38.034 3.564 11.181 1.00 0.00 H new ATOM 0 HA ASN A 8 -38.764 2.680 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -39.170 4.995 14.205 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -37.855 4.965 13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -38.234 6.069 11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -39.802 6.768 10.648 1.00 0.00 H new ATOM 136 N GLN A 9 -41.149 2.831 11.585 1.00 0.00 N ATOM 137 CA GLN A 9 -42.565 2.622 11.339 1.00 0.00 C ATOM 138 C GLN A 9 -43.099 1.498 12.229 1.00 0.00 C ATOM 139 O GLN A 9 -44.260 1.519 12.633 1.00 0.00 O ATOM 140 CB GLN A 9 -42.826 2.323 9.861 1.00 0.00 C ATOM 141 CG GLN A 9 -44.326 2.197 9.584 1.00 0.00 C ATOM 142 CD GLN A 9 -44.754 3.128 8.448 1.00 0.00 C ATOM 143 OE1 GLN A 9 -44.099 3.242 7.425 1.00 0.00 O ATOM 144 NE2 GLN A 9 -45.886 3.785 8.685 1.00 0.00 N ATOM 0 H GLN A 9 -40.559 2.776 10.754 1.00 0.00 H new ATOM 0 HA GLN A 9 -43.097 3.540 11.590 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -42.404 3.118 9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -42.321 1.399 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -44.566 1.166 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -44.888 2.437 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -46.384 3.642 9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -46.256 4.432 7.988 1.00 0.00 H new ATOM 153 N ARG A 10 -42.225 0.542 12.507 1.00 0.00 N ATOM 154 CA ARG A 10 -42.593 -0.589 13.342 1.00 0.00 C ATOM 155 C ARG A 10 -43.136 -0.101 14.687 1.00 0.00 C ATOM 156 O ARG A 10 -43.805 -0.850 15.398 1.00 0.00 O ATOM 157 CB ARG A 10 -41.394 -1.507 13.586 1.00 0.00 C ATOM 158 CG ARG A 10 -41.439 -2.726 12.661 1.00 0.00 C ATOM 159 CD ARG A 10 -40.129 -2.876 11.886 1.00 0.00 C ATOM 160 NE ARG A 10 -40.355 -2.593 10.451 1.00 0.00 N ATOM 161 CZ ARG A 10 -40.859 -3.479 9.582 1.00 0.00 C ATOM 162 NH1 ARG A 10 -41.193 -4.709 9.995 1.00 0.00 N ATOM 163 NH2 ARG A 10 -41.029 -3.135 8.297 1.00 0.00 N ATOM 0 H ARG A 10 -41.263 0.527 12.169 1.00 0.00 H new ATOM 0 HA ARG A 10 -43.365 -1.151 12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -40.469 -0.955 13.421 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -41.388 -1.835 14.626 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -41.623 -3.626 13.248 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -42.269 -2.626 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -39.380 -2.193 12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -39.738 -3.886 12.009 1.00 0.00 H new ATOM 0 HE ARG A 10 -40.112 -1.666 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -41.064 -4.972 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -41.577 -5.383 9.332 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -40.775 -2.199 7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -41.413 -3.809 7.635 1.00 0.00 H new ATOM 177 N LYS A 11 -42.826 1.149 14.995 1.00 0.00 N ATOM 178 CA LYS A 11 -43.274 1.745 16.242 1.00 0.00 C ATOM 179 C LYS A 11 -43.938 3.092 15.949 1.00 0.00 C ATOM 180 O LYS A 11 -43.703 4.070 16.656 1.00 0.00 O ATOM 181 CB LYS A 11 -42.118 1.834 17.240 1.00 0.00 C ATOM 182 CG LYS A 11 -42.615 2.271 18.618 1.00 0.00 C ATOM 183 CD LYS A 11 -42.480 1.137 19.636 1.00 0.00 C ATOM 184 CE LYS A 11 -43.287 1.436 20.901 1.00 0.00 C ATOM 185 NZ LYS A 11 -43.478 0.202 21.696 1.00 0.00 N ATOM 0 H LYS A 11 -42.270 1.766 14.403 1.00 0.00 H new ATOM 0 HA LYS A 11 -44.026 1.114 16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -41.625 0.865 17.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -41.373 2.542 16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -42.046 3.137 18.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -43.658 2.581 18.551 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -42.825 0.203 19.193 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -41.430 0.999 19.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -42.771 2.186 21.500 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -44.256 1.856 20.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -44.027 0.422 22.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -43.990 -0.502 21.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -42.551 -0.182 21.969 1.00 0.00 H new ATOM 199 N THR A 12 -44.754 3.099 14.905 1.00 0.00 N ATOM 200 CA THR A 12 -45.454 4.308 14.510 1.00 0.00 C ATOM 201 C THR A 12 -44.491 5.282 13.827 1.00 0.00 C ATOM 202 O THR A 12 -43.293 5.272 14.103 1.00 0.00 O ATOM 203 CB THR A 12 -46.128 4.893 15.753 1.00 0.00 C ATOM 204 OG1 THR A 12 -46.848 3.794 16.307 1.00 0.00 O ATOM 205 CG2 THR A 12 -47.215 5.913 15.406 1.00 0.00 C ATOM 0 H THR A 12 -44.946 2.285 14.321 1.00 0.00 H new ATOM 0 HA THR A 12 -46.228 4.093 13.773 1.00 0.00 H new ATOM 0 HB THR A 12 -45.376 5.365 16.385 1.00 0.00 H new ATOM 0 HG1 THR A 12 -47.314 4.084 17.119 1.00 0.00 H new ATOM 0 HG21 THR A 12 -47.660 6.296 16.324 1.00 0.00 H new ATOM 0 HG22 THR A 12 -46.775 6.737 14.844 1.00 0.00 H new ATOM 0 HG23 THR A 12 -47.985 5.433 14.802 1.00 0.00 H new ATOM 213 N VAL A 13 -45.053 6.102 12.950 1.00 0.00 N ATOM 214 CA VAL A 13 -44.259 7.080 12.225 1.00 0.00 C ATOM 215 C VAL A 13 -44.860 8.471 12.430 1.00 0.00 C ATOM 216 O VAL A 13 -45.786 8.641 13.224 1.00 0.00 O ATOM 217 CB VAL A 13 -44.157 6.683 10.751 1.00 0.00 C ATOM 218 CG1 VAL A 13 -45.330 7.254 9.949 1.00 0.00 C ATOM 219 CG2 VAL A 13 -42.819 7.124 10.155 1.00 0.00 C ATOM 0 H VAL A 13 -46.048 6.109 12.725 1.00 0.00 H new ATOM 0 HA VAL A 13 -43.240 7.106 12.611 1.00 0.00 H new ATOM 0 HB VAL A 13 -44.207 5.596 10.692 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -45.235 6.958 8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -46.267 6.869 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -45.324 8.342 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -42.773 6.829 9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -42.726 8.207 10.232 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -42.003 6.650 10.701 1.00 0.00 H new ATOM 229 N LYS A 14 -44.312 9.432 11.702 1.00 0.00 N ATOM 230 CA LYS A 14 -44.782 10.803 11.794 1.00 0.00 C ATOM 231 C LYS A 14 -45.158 11.303 10.398 1.00 0.00 C ATOM 232 O LYS A 14 -44.318 11.342 9.501 1.00 0.00 O ATOM 233 CB LYS A 14 -43.748 11.679 12.503 1.00 0.00 C ATOM 234 CG LYS A 14 -44.298 13.084 12.753 1.00 0.00 C ATOM 235 CD LYS A 14 -43.168 14.115 12.803 1.00 0.00 C ATOM 236 CE LYS A 14 -42.649 14.425 11.397 1.00 0.00 C ATOM 237 NZ LYS A 14 -41.207 14.757 11.439 1.00 0.00 N ATOM 0 H LYS A 14 -43.545 9.288 11.045 1.00 0.00 H new ATOM 0 HA LYS A 14 -45.682 10.856 12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -43.467 11.221 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -42.843 11.741 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -45.002 13.349 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -44.851 13.100 13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -43.527 15.031 13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -42.353 13.738 13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -42.812 13.567 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -43.208 15.259 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -40.870 14.965 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.060 15.590 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -40.676 13.950 11.825 1.00 0.00 H new ATOM 251 N CYS A 15 -46.423 11.674 10.257 1.00 0.00 N ATOM 252 CA CYS A 15 -46.921 12.169 8.985 1.00 0.00 C ATOM 253 C CYS A 15 -46.413 13.601 8.797 1.00 0.00 C ATOM 254 O CYS A 15 -46.871 14.520 9.473 1.00 0.00 O ATOM 255 CB CYS A 15 -48.446 12.090 8.904 1.00 0.00 C ATOM 256 SG CYS A 15 -49.006 12.502 7.211 1.00 0.00 S ATOM 0 H CYS A 15 -47.118 11.641 11.003 1.00 0.00 H new ATOM 0 HA CYS A 15 -46.548 11.541 8.176 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -48.781 11.088 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -48.893 12.779 9.621 1.00 0.00 H new ATOM 0 HG CYS A 15 -49.578 11.463 6.678 1.00 0.00 H new ATOM 261 N PHE A 16 -45.474 13.745 7.873 1.00 0.00 N ATOM 262 CA PHE A 16 -44.899 15.048 7.586 1.00 0.00 C ATOM 263 C PHE A 16 -45.907 15.945 6.863 1.00 0.00 C ATOM 264 O PHE A 16 -45.545 17.001 6.347 1.00 0.00 O ATOM 265 CB PHE A 16 -43.694 14.815 6.673 1.00 0.00 C ATOM 266 CG PHE A 16 -43.155 16.087 6.017 1.00 0.00 C ATOM 267 CD1 PHE A 16 -42.870 17.178 6.779 1.00 0.00 C ATOM 268 CD2 PHE A 16 -42.961 16.130 4.672 1.00 0.00 C ATOM 269 CE1 PHE A 16 -42.370 18.359 6.170 1.00 0.00 C ATOM 270 CE2 PHE A 16 -42.461 17.311 4.063 1.00 0.00 C ATOM 271 CZ PHE A 16 -42.175 18.400 4.825 1.00 0.00 C ATOM 0 H PHE A 16 -45.097 12.980 7.313 1.00 0.00 H new ATOM 0 HA PHE A 16 -44.615 15.542 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -42.896 14.352 7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -43.974 14.107 5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -43.024 17.145 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -43.187 15.265 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -42.145 19.225 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -42.308 17.344 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 16 -41.793 19.298 4.362 1.00 0.00 H new ATOM 281 N ASN A 17 -47.151 15.490 6.849 1.00 0.00 N ATOM 282 CA ASN A 17 -48.214 16.238 6.198 1.00 0.00 C ATOM 283 C ASN A 17 -49.298 16.574 7.224 1.00 0.00 C ATOM 284 O ASN A 17 -49.323 17.677 7.766 1.00 0.00 O ATOM 285 CB ASN A 17 -48.859 15.417 5.080 1.00 0.00 C ATOM 286 CG ASN A 17 -50.253 15.949 4.743 1.00 0.00 C ATOM 287 OD1 ASN A 17 -50.505 17.144 4.740 1.00 0.00 O ATOM 288 ND2 ASN A 17 -51.142 15.001 4.461 1.00 0.00 N ATOM 0 H ASN A 17 -47.447 14.613 7.278 1.00 0.00 H new ATOM 0 HA ASN A 17 -47.779 17.144 5.776 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -48.229 15.449 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -48.928 14.373 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -52.101 15.255 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -50.865 14.020 4.482 1.00 0.00 H new ATOM 295 N CYS A 18 -50.166 15.601 7.460 1.00 0.00 N ATOM 296 CA CYS A 18 -51.250 15.779 8.410 1.00 0.00 C ATOM 297 C CYS A 18 -50.644 15.923 9.808 1.00 0.00 C ATOM 298 O CYS A 18 -51.257 16.513 10.697 1.00 0.00 O ATOM 299 CB CYS A 18 -52.259 14.631 8.341 1.00 0.00 C ATOM 300 SG CYS A 18 -51.535 13.117 9.072 1.00 0.00 S ATOM 0 H CYS A 18 -50.140 14.686 7.009 1.00 0.00 H new ATOM 0 HA CYS A 18 -51.809 16.681 8.162 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -53.169 14.903 8.875 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -52.541 14.445 7.305 1.00 0.00 H new ATOM 0 HG CYS A 18 -50.698 12.586 8.231 1.00 0.00 H new ATOM 305 N GLY A 19 -49.447 15.374 9.959 1.00 0.00 N ATOM 306 CA GLY A 19 -48.752 15.433 11.233 1.00 0.00 C ATOM 307 C GLY A 19 -48.989 14.159 12.047 1.00 0.00 C ATOM 308 O GLY A 19 -48.088 13.681 12.734 1.00 0.00 O ATOM 0 H GLY A 19 -48.941 14.886 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -47.684 15.566 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -49.095 16.299 11.799 1.00 0.00 H new ATOM 312 N LYS A 20 -50.207 13.647 11.944 1.00 0.00 N ATOM 313 CA LYS A 20 -50.573 12.439 12.661 1.00 0.00 C ATOM 314 C LYS A 20 -49.463 11.399 12.502 1.00 0.00 C ATOM 315 O LYS A 20 -48.777 11.369 11.481 1.00 0.00 O ATOM 316 CB LYS A 20 -51.949 11.944 12.210 1.00 0.00 C ATOM 317 CG LYS A 20 -53.004 13.042 12.364 1.00 0.00 C ATOM 318 CD LYS A 20 -54.416 12.453 12.338 1.00 0.00 C ATOM 319 CE LYS A 20 -55.247 12.969 13.514 1.00 0.00 C ATOM 320 NZ LYS A 20 -56.637 13.242 13.087 1.00 0.00 N ATOM 0 H LYS A 20 -50.952 14.047 11.374 1.00 0.00 H new ATOM 0 HA LYS A 20 -50.667 12.644 13.727 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -51.901 11.624 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -52.237 11.073 12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -52.845 13.575 13.302 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -52.895 13.771 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -54.906 12.714 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -54.361 11.365 12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -55.245 12.233 14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -54.798 13.878 13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -57.187 13.591 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -56.634 13.960 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -57.068 12.366 12.728 1.00 0.00 H new ATOM 334 N GLU A 21 -49.320 10.570 13.525 1.00 0.00 N ATOM 335 CA GLU A 21 -48.304 9.531 13.511 1.00 0.00 C ATOM 336 C GLU A 21 -48.925 8.188 13.120 1.00 0.00 C ATOM 337 O GLU A 21 -50.103 7.946 13.376 1.00 0.00 O ATOM 338 CB GLU A 21 -47.599 9.435 14.865 1.00 0.00 C ATOM 339 CG GLU A 21 -48.592 9.614 16.015 1.00 0.00 C ATOM 340 CD GLU A 21 -48.701 11.085 16.422 1.00 0.00 C ATOM 341 OE1 GLU A 21 -48.400 11.937 15.557 1.00 0.00 O ATOM 342 OE2 GLU A 21 -49.082 11.325 17.588 1.00 0.00 O ATOM 0 H GLU A 21 -49.891 10.596 14.370 1.00 0.00 H new ATOM 0 HA GLU A 21 -47.553 9.794 12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -47.105 8.467 14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -46.822 10.197 14.929 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -49.572 9.242 15.715 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -48.274 9.019 16.871 1.00 0.00 H new ATOM 349 N GLY A 22 -48.104 7.350 12.506 1.00 0.00 N ATOM 350 CA GLY A 22 -48.557 6.037 12.077 1.00 0.00 C ATOM 351 C GLY A 22 -48.256 5.811 10.594 1.00 0.00 C ATOM 352 O GLY A 22 -48.027 4.680 10.168 1.00 0.00 O ATOM 0 H GLY A 22 -47.127 7.554 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -48.067 5.267 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -49.629 5.943 12.253 1.00 0.00 H new ATOM 356 N HIS A 23 -48.268 6.905 9.847 1.00 0.00 N ATOM 357 CA HIS A 23 -48.000 6.841 8.420 1.00 0.00 C ATOM 358 C HIS A 23 -47.326 8.138 7.965 1.00 0.00 C ATOM 359 O HIS A 23 -47.166 9.068 8.754 1.00 0.00 O ATOM 360 CB HIS A 23 -49.278 6.532 7.640 1.00 0.00 C ATOM 361 CG HIS A 23 -50.299 7.645 7.668 1.00 0.00 C ATOM 362 ND1 HIS A 23 -51.422 7.611 8.475 1.00 0.00 N ATOM 363 CD2 HIS A 23 -50.354 8.821 6.980 1.00 0.00 C ATOM 364 CE1 HIS A 23 -52.116 8.722 8.274 1.00 0.00 C ATOM 365 NE2 HIS A 23 -51.451 9.471 7.347 1.00 0.00 N ATOM 0 H HIS A 23 -48.459 7.841 10.203 1.00 0.00 H new ATOM 0 HA HIS A 23 -47.311 6.022 8.213 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -49.016 6.319 6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -49.730 5.628 8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -49.628 9.165 6.259 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -53.044 8.988 8.758 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -51.748 10.381 6.994 1.00 0.00 H new ATOM 373 N ILE A 24 -46.952 8.159 6.695 1.00 0.00 N ATOM 374 CA ILE A 24 -46.300 9.326 6.126 1.00 0.00 C ATOM 375 C ILE A 24 -47.231 9.973 5.098 1.00 0.00 C ATOM 376 O ILE A 24 -48.177 9.343 4.628 1.00 0.00 O ATOM 377 CB ILE A 24 -44.928 8.952 5.562 1.00 0.00 C ATOM 378 CG1 ILE A 24 -45.049 7.845 4.513 1.00 0.00 C ATOM 379 CG2 ILE A 24 -43.959 8.575 6.684 1.00 0.00 C ATOM 380 CD1 ILE A 24 -43.741 7.683 3.734 1.00 0.00 C ATOM 0 H ILE A 24 -47.088 7.386 6.043 1.00 0.00 H new ATOM 0 HA ILE A 24 -46.109 10.071 6.899 1.00 0.00 H new ATOM 0 HB ILE A 24 -44.515 9.827 5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -45.306 6.904 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -45.860 8.079 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -42.991 8.313 6.256 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -43.840 9.421 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -44.355 7.722 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -43.854 6.890 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -43.500 8.618 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -42.937 7.425 4.423 1.00 0.00 H new ATOM 392 N ALA A 25 -46.930 11.223 4.780 1.00 0.00 N ATOM 393 CA ALA A 25 -47.728 11.963 3.816 1.00 0.00 C ATOM 394 C ALA A 25 -47.772 11.191 2.497 1.00 0.00 C ATOM 395 O ALA A 25 -48.806 11.150 1.832 1.00 0.00 O ATOM 396 CB ALA A 25 -47.150 13.370 3.649 1.00 0.00 C ATOM 0 H ALA A 25 -46.145 11.743 5.172 1.00 0.00 H new ATOM 0 HA ALA A 25 -48.754 12.071 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -47.748 13.925 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -47.168 13.887 4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -46.122 13.301 3.293 1.00 0.00 H new ATOM 402 N LYS A 26 -46.637 10.598 2.157 1.00 0.00 N ATOM 403 CA LYS A 26 -46.533 9.828 0.929 1.00 0.00 C ATOM 404 C LYS A 26 -47.815 9.016 0.731 1.00 0.00 C ATOM 405 O LYS A 26 -48.196 8.718 -0.400 1.00 0.00 O ATOM 406 CB LYS A 26 -45.261 8.979 0.934 1.00 0.00 C ATOM 407 CG LYS A 26 -45.597 7.489 1.018 1.00 0.00 C ATOM 408 CD LYS A 26 -44.495 6.640 0.379 1.00 0.00 C ATOM 409 CE LYS A 26 -43.117 7.255 0.628 1.00 0.00 C ATOM 410 NZ LYS A 26 -42.609 7.902 -0.602 1.00 0.00 N ATOM 0 H LYS A 26 -45.781 10.635 2.711 1.00 0.00 H new ATOM 0 HA LYS A 26 -46.440 10.492 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -44.685 9.175 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -44.634 9.262 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -45.725 7.200 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -46.545 7.298 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -44.526 5.630 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -44.671 6.556 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -43.179 7.988 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -42.421 6.482 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -41.881 7.300 -1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -43.392 8.035 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -42.197 8.826 -0.363 1.00 0.00 H new ATOM 424 N ASN A 27 -48.444 8.683 1.848 1.00 0.00 N ATOM 425 CA ASN A 27 -49.674 7.911 1.811 1.00 0.00 C ATOM 426 C ASN A 27 -50.550 8.297 3.005 1.00 0.00 C ATOM 427 O ASN A 27 -50.917 7.445 3.812 1.00 0.00 O ATOM 428 CB ASN A 27 -49.387 6.411 1.903 1.00 0.00 C ATOM 429 CG ASN A 27 -48.063 6.149 2.624 1.00 0.00 C ATOM 430 OD1 ASN A 27 -47.928 6.818 3.765 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 -47.220 5.390 2.173 1.00 0.00 N flip ATOM 0 H ASN A 27 -48.125 8.934 2.784 1.00 0.00 H new ATOM 0 HA ASN A 27 -50.177 8.125 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -50.199 5.914 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -49.351 5.982 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -47.388 4.908 1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -46.347 5.238 2.679 1.00 0.00 H new ATOM 438 N CYS A 28 -50.858 9.584 3.080 1.00 0.00 N ATOM 439 CA CYS A 28 -51.683 10.093 4.161 1.00 0.00 C ATOM 440 C CYS A 28 -53.124 9.640 3.922 1.00 0.00 C ATOM 441 O CYS A 28 -53.725 9.980 2.904 1.00 0.00 O ATOM 442 CB CYS A 28 -51.576 11.615 4.286 1.00 0.00 C ATOM 443 SG CYS A 28 -52.641 12.208 5.650 1.00 0.00 S ATOM 0 H CYS A 28 -50.551 10.289 2.410 1.00 0.00 H new ATOM 0 HA CYS A 28 -51.330 9.690 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -50.541 11.901 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -51.874 12.087 3.350 1.00 0.00 H new ATOM 0 HG CYS A 28 -51.911 12.447 6.698 1.00 0.00 H new ATOM 448 N ARG A 29 -53.637 8.878 4.877 1.00 0.00 N ATOM 449 CA ARG A 29 -54.997 8.374 4.782 1.00 0.00 C ATOM 450 C ARG A 29 -55.995 9.535 4.787 1.00 0.00 C ATOM 451 O ARG A 29 -57.090 9.419 4.240 1.00 0.00 O ATOM 452 CB ARG A 29 -55.317 7.430 5.943 1.00 0.00 C ATOM 453 CG ARG A 29 -55.670 6.033 5.432 1.00 0.00 C ATOM 454 CD ARG A 29 -56.957 5.520 6.080 1.00 0.00 C ATOM 455 NE ARG A 29 -56.637 4.755 7.306 1.00 0.00 N ATOM 456 CZ ARG A 29 -57.501 4.545 8.307 1.00 0.00 C ATOM 457 NH1 ARG A 29 -58.743 5.042 8.236 1.00 0.00 N ATOM 458 NH2 ARG A 29 -57.122 3.838 9.381 1.00 0.00 N ATOM 0 H ARG A 29 -53.136 8.597 5.720 1.00 0.00 H new ATOM 0 HA ARG A 29 -55.081 7.822 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -54.460 7.370 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -56.149 7.830 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -55.789 6.058 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -54.852 5.346 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -57.610 6.358 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -57.500 4.887 5.378 1.00 0.00 H new ATOM 0 HE ARG A 29 -55.699 4.363 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -59.031 5.581 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -59.401 4.882 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -56.176 3.460 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -57.780 3.678 10.144 1.00 0.00 H new ATOM 472 N ALA A 30 -55.580 10.626 5.413 1.00 0.00 N ATOM 473 CA ALA A 30 -56.424 11.806 5.497 1.00 0.00 C ATOM 474 C ALA A 30 -57.167 11.992 4.174 1.00 0.00 C ATOM 475 O ALA A 30 -56.607 12.513 3.210 1.00 0.00 O ATOM 476 CB ALA A 30 -55.567 13.022 5.860 1.00 0.00 C ATOM 0 H ALA A 30 -54.671 10.718 5.867 1.00 0.00 H new ATOM 0 HA ALA A 30 -57.172 11.687 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -56.200 13.907 5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -55.084 12.852 6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -54.807 13.173 5.094 1.00 0.00 H new ATOM 482 N PRO A 31 -58.451 11.543 4.168 1.00 0.00 N ATOM 483 CA PRO A 31 -59.278 11.654 2.978 1.00 0.00 C ATOM 484 C PRO A 31 -59.745 13.096 2.767 1.00 0.00 C ATOM 485 O PRO A 31 -60.929 13.344 2.551 1.00 0.00 O ATOM 486 CB PRO A 31 -60.427 10.686 3.205 1.00 0.00 C ATOM 487 CG PRO A 31 -60.454 10.415 4.701 1.00 0.00 C ATOM 488 CD PRO A 31 -59.148 10.921 5.290 1.00 0.00 C ATOM 0 HA PRO A 31 -58.737 11.403 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -61.371 11.115 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -60.278 9.764 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -61.302 10.918 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -60.572 9.349 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -59.327 11.638 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -58.564 10.105 5.716 1.00 0.00 H new ATOM 496 N ARG A 32 -58.787 14.010 2.837 1.00 0.00 N ATOM 497 CA ARG A 32 -59.085 15.421 2.657 1.00 0.00 C ATOM 498 C ARG A 32 -59.670 15.666 1.264 1.00 0.00 C ATOM 499 O ARG A 32 -59.789 14.738 0.465 1.00 0.00 O ATOM 500 CB ARG A 32 -57.829 16.276 2.832 1.00 0.00 C ATOM 501 CG ARG A 32 -56.838 16.036 1.691 1.00 0.00 C ATOM 502 CD ARG A 32 -55.452 15.682 2.234 1.00 0.00 C ATOM 503 NE ARG A 32 -54.465 15.671 1.132 1.00 0.00 N ATOM 504 CZ ARG A 32 -53.310 14.992 1.163 1.00 0.00 C ATOM 505 NH1 ARG A 32 -52.992 14.263 2.242 1.00 0.00 N ATOM 506 NH2 ARG A 32 -52.475 15.040 0.117 1.00 0.00 N ATOM 0 H ARG A 32 -57.805 13.801 3.016 1.00 0.00 H new ATOM 0 HA ARG A 32 -59.813 15.706 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -58.104 17.330 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -57.355 16.041 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -57.200 15.229 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -56.772 16.928 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -55.154 16.405 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -55.480 14.706 2.718 1.00 0.00 H new ATOM 0 HE ARG A 32 -54.677 16.215 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -53.629 14.226 3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -52.113 13.746 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -52.718 15.594 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -51.596 14.523 0.142 1.00 0.00 H new ATOM 520 N LYS A 33 -60.019 16.920 1.016 1.00 0.00 N ATOM 521 CA LYS A 33 -60.589 17.298 -0.267 1.00 0.00 C ATOM 522 C LYS A 33 -59.965 18.617 -0.727 1.00 0.00 C ATOM 523 O LYS A 33 -60.673 19.531 -1.144 1.00 0.00 O ATOM 524 CB LYS A 33 -62.116 17.337 -0.183 1.00 0.00 C ATOM 525 CG LYS A 33 -62.748 16.571 -1.347 1.00 0.00 C ATOM 526 CD LYS A 33 -64.266 16.475 -1.182 1.00 0.00 C ATOM 527 CE LYS A 33 -64.987 17.341 -2.216 1.00 0.00 C ATOM 528 NZ LYS A 33 -66.359 16.838 -2.449 1.00 0.00 N ATOM 0 H LYS A 33 -59.918 17.687 1.681 1.00 0.00 H new ATOM 0 HA LYS A 33 -60.353 16.551 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -62.443 16.904 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -62.458 18.372 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -62.512 17.071 -2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -62.321 15.570 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -64.582 15.437 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -64.547 16.792 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -65.026 18.374 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -64.429 17.340 -3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -66.834 17.438 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -66.315 15.860 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -66.894 16.862 -1.557 1.00 0.00 H new ATOM 542 N LYS A 34 -58.644 18.671 -0.638 1.00 0.00 N ATOM 543 CA LYS A 34 -57.916 19.863 -1.040 1.00 0.00 C ATOM 544 C LYS A 34 -58.191 20.988 -0.040 1.00 0.00 C ATOM 545 O LYS A 34 -59.320 21.467 0.064 1.00 0.00 O ATOM 546 CB LYS A 34 -58.250 20.231 -2.487 1.00 0.00 C ATOM 547 CG LYS A 34 -57.176 19.716 -3.447 1.00 0.00 C ATOM 548 CD LYS A 34 -57.791 19.299 -4.784 1.00 0.00 C ATOM 549 CE LYS A 34 -58.265 20.521 -5.574 1.00 0.00 C ATOM 550 NZ LYS A 34 -58.107 20.292 -7.027 1.00 0.00 N ATOM 0 H LYS A 34 -58.059 17.909 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 34 -56.842 19.677 -1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -59.218 19.809 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -58.336 21.314 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -56.429 20.492 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -56.660 18.867 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -57.057 18.745 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -58.631 18.627 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -59.310 20.727 -5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -57.694 21.399 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -58.433 21.131 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -57.105 20.118 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -58.672 19.466 -7.312 1.00 0.00 H new ATOM 564 N GLY A 35 -57.143 21.373 0.672 1.00 0.00 N ATOM 565 CA GLY A 35 -57.258 22.432 1.661 1.00 0.00 C ATOM 566 C GLY A 35 -55.879 22.940 2.084 1.00 0.00 C ATOM 567 O GLY A 35 -54.903 22.191 2.058 1.00 0.00 O ATOM 0 H GLY A 35 -56.210 20.971 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -57.843 23.255 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -57.797 22.062 2.534 1.00 0.00 H new ATOM 571 N CYS A 36 -55.841 24.208 2.464 1.00 0.00 N ATOM 572 CA CYS A 36 -54.596 24.825 2.893 1.00 0.00 C ATOM 573 C CYS A 36 -54.221 24.247 4.259 1.00 0.00 C ATOM 574 O CYS A 36 -54.820 24.601 5.273 1.00 0.00 O ATOM 575 CB CYS A 36 -54.703 26.350 2.928 1.00 0.00 C ATOM 576 SG CYS A 36 -53.088 27.080 3.382 1.00 0.00 S ATOM 0 H CYS A 36 -56.652 24.826 2.484 1.00 0.00 H new ATOM 0 HA CYS A 36 -53.808 24.599 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -55.019 26.723 1.954 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -55.464 26.653 3.648 1.00 0.00 H new ATOM 0 HG CYS A 36 -52.133 26.265 3.044 1.00 0.00 H new ATOM 581 N TRP A 37 -53.229 23.368 4.242 1.00 0.00 N ATOM 582 CA TRP A 37 -52.766 22.737 5.466 1.00 0.00 C ATOM 583 C TRP A 37 -51.675 23.624 6.070 1.00 0.00 C ATOM 584 O TRP A 37 -50.927 23.186 6.942 1.00 0.00 O ATOM 585 CB TRP A 37 -52.295 21.306 5.202 1.00 0.00 C ATOM 586 CG TRP A 37 -50.794 21.098 5.407 1.00 0.00 C ATOM 587 CD1 TRP A 37 -50.185 20.255 6.253 1.00 0.00 C ATOM 588 CD2 TRP A 37 -49.728 21.780 4.713 1.00 0.00 C ATOM 589 NE1 TRP A 37 -48.811 20.345 6.157 1.00 0.00 N ATOM 590 CE2 TRP A 37 -48.525 21.303 5.190 1.00 0.00 C ATOM 591 CE3 TRP A 37 -49.779 22.770 3.716 1.00 0.00 C ATOM 592 CZ2 TRP A 37 -47.283 21.755 4.729 1.00 0.00 C ATOM 593 CZ3 TRP A 37 -48.530 23.212 3.264 1.00 0.00 C ATOM 594 CH2 TRP A 37 -47.309 22.741 3.736 1.00 0.00 C ATOM 0 H TRP A 37 -52.733 23.078 3.399 1.00 0.00 H new ATOM 0 HA TRP A 37 -53.580 22.646 6.185 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -52.839 20.628 5.860 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -52.553 21.032 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -50.705 19.589 6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -48.131 19.808 6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -50.709 23.159 3.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -46.355 21.364 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -48.513 23.971 2.496 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -46.385 23.134 3.338 1.00 0.00 H new ATOM 605 N LYS A 38 -51.620 24.855 5.583 1.00 0.00 N ATOM 606 CA LYS A 38 -50.634 25.807 6.064 1.00 0.00 C ATOM 607 C LYS A 38 -51.312 26.807 7.003 1.00 0.00 C ATOM 608 O LYS A 38 -50.701 27.277 7.961 1.00 0.00 O ATOM 609 CB LYS A 38 -49.905 26.462 4.891 1.00 0.00 C ATOM 610 CG LYS A 38 -48.934 27.540 5.379 1.00 0.00 C ATOM 611 CD LYS A 38 -47.659 26.912 5.946 1.00 0.00 C ATOM 612 CE LYS A 38 -47.503 27.236 7.433 1.00 0.00 C ATOM 613 NZ LYS A 38 -46.550 26.299 8.070 1.00 0.00 N ATOM 0 H LYS A 38 -52.243 25.215 4.860 1.00 0.00 H new ATOM 0 HA LYS A 38 -49.864 25.298 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -49.359 25.704 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -50.631 26.904 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -48.680 28.206 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -49.415 28.149 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -47.689 25.831 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.793 27.281 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.150 28.260 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -48.472 27.172 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -46.455 26.533 9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -46.902 25.325 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -45.622 26.380 7.608 1.00 0.00 H new ATOM 627 N CYS A 39 -52.565 27.103 6.694 1.00 0.00 N ATOM 628 CA CYS A 39 -53.333 28.039 7.498 1.00 0.00 C ATOM 629 C CYS A 39 -54.417 27.256 8.243 1.00 0.00 C ATOM 630 O CYS A 39 -54.636 27.473 9.434 1.00 0.00 O ATOM 631 CB CYS A 39 -53.926 29.163 6.646 1.00 0.00 C ATOM 632 SG CYS A 39 -55.096 28.471 5.423 1.00 0.00 S ATOM 0 H CYS A 39 -53.068 26.711 5.898 1.00 0.00 H new ATOM 0 HA CYS A 39 -52.677 28.526 8.219 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -54.438 29.883 7.285 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -53.129 29.702 6.134 1.00 0.00 H new ATOM 0 HG CYS A 39 -54.453 28.156 4.338 1.00 0.00 H new ATOM 637 N GLY A 40 -55.065 26.363 7.511 1.00 0.00 N ATOM 638 CA GLY A 40 -56.120 25.547 8.088 1.00 0.00 C ATOM 639 C GLY A 40 -57.473 25.867 7.448 1.00 0.00 C ATOM 640 O GLY A 40 -58.514 25.737 8.091 1.00 0.00 O ATOM 0 H GLY A 40 -54.880 26.186 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -55.887 24.492 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -56.172 25.720 9.163 1.00 0.00 H new ATOM 644 N LYS A 41 -57.413 26.280 6.191 1.00 0.00 N ATOM 645 CA LYS A 41 -58.621 26.620 5.458 1.00 0.00 C ATOM 646 C LYS A 41 -58.712 25.749 4.203 1.00 0.00 C ATOM 647 O LYS A 41 -57.854 25.825 3.326 1.00 0.00 O ATOM 648 CB LYS A 41 -58.667 28.122 5.169 1.00 0.00 C ATOM 649 CG LYS A 41 -59.629 28.834 6.122 1.00 0.00 C ATOM 650 CD LYS A 41 -59.785 30.308 5.743 1.00 0.00 C ATOM 651 CE LYS A 41 -61.189 30.590 5.204 1.00 0.00 C ATOM 652 NZ LYS A 41 -61.393 32.046 5.027 1.00 0.00 N ATOM 0 H LYS A 41 -56.548 26.387 5.661 1.00 0.00 H new ATOM 0 HA LYS A 41 -59.505 26.407 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -57.668 28.546 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -58.981 28.288 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.602 28.343 6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.259 28.755 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -59.594 30.934 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -59.043 30.574 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -61.329 30.079 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.936 30.193 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -62.351 32.220 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -61.280 32.526 5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -60.692 32.415 4.353 1.00 0.00 H new ATOM 666 N GLU A 42 -59.762 24.942 4.157 1.00 0.00 N ATOM 667 CA GLU A 42 -59.977 24.057 3.025 1.00 0.00 C ATOM 668 C GLU A 42 -60.480 24.853 1.818 1.00 0.00 C ATOM 669 O GLU A 42 -60.967 25.972 1.967 1.00 0.00 O ATOM 670 CB GLU A 42 -60.950 22.933 3.385 1.00 0.00 C ATOM 671 CG GLU A 42 -62.346 23.488 3.676 1.00 0.00 C ATOM 672 CD GLU A 42 -62.828 23.057 5.063 1.00 0.00 C ATOM 673 OE1 GLU A 42 -62.176 23.471 6.045 1.00 0.00 O ATOM 674 OE2 GLU A 42 -63.839 22.323 5.110 1.00 0.00 O ATOM 0 H GLU A 42 -60.473 24.883 4.886 1.00 0.00 H new ATOM 0 HA GLU A 42 -59.025 23.597 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -61.003 22.217 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -60.581 22.393 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -62.329 24.576 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -63.046 23.137 2.918 1.00 0.00 H new ATOM 681 N GLY A 43 -60.344 24.243 0.650 1.00 0.00 N ATOM 682 CA GLY A 43 -60.779 24.879 -0.582 1.00 0.00 C ATOM 683 C GLY A 43 -59.581 25.372 -1.395 1.00 0.00 C ATOM 684 O GLY A 43 -59.656 25.474 -2.620 1.00 0.00 O ATOM 0 H GLY A 43 -59.939 23.315 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -61.360 24.173 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -61.436 25.717 -0.351 1.00 0.00 H new ATOM 688 N HIS A 44 -58.502 25.665 -0.684 1.00 0.00 N ATOM 689 CA HIS A 44 -57.290 26.145 -1.325 1.00 0.00 C ATOM 690 C HIS A 44 -56.079 25.408 -0.750 1.00 0.00 C ATOM 691 O HIS A 44 -56.231 24.475 0.036 1.00 0.00 O ATOM 692 CB HIS A 44 -57.173 27.666 -1.199 1.00 0.00 C ATOM 693 CG HIS A 44 -56.714 28.135 0.161 1.00 0.00 C ATOM 694 ND1 HIS A 44 -57.518 28.075 1.286 1.00 0.00 N ATOM 695 CD2 HIS A 44 -55.528 28.672 0.565 1.00 0.00 C ATOM 696 CE1 HIS A 44 -56.837 28.557 2.314 1.00 0.00 C ATOM 697 NE2 HIS A 44 -55.603 28.927 1.865 1.00 0.00 N ATOM 0 H HIS A 44 -58.442 25.579 0.331 1.00 0.00 H new ATOM 0 HA HIS A 44 -57.330 25.930 -2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -56.475 28.030 -1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -58.142 28.114 -1.419 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -58.474 27.720 1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -54.672 28.858 -0.066 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -57.195 28.642 3.329 1.00 0.00 H new ATOM 705 N GLN A 45 -54.902 25.854 -1.166 1.00 0.00 N ATOM 706 CA GLN A 45 -53.666 25.248 -0.702 1.00 0.00 C ATOM 707 C GLN A 45 -52.670 26.331 -0.282 1.00 0.00 C ATOM 708 O GLN A 45 -52.879 27.512 -0.553 1.00 0.00 O ATOM 709 CB GLN A 45 -53.066 24.337 -1.774 1.00 0.00 C ATOM 710 CG GLN A 45 -52.413 25.157 -2.889 1.00 0.00 C ATOM 711 CD GLN A 45 -51.007 24.639 -3.199 1.00 0.00 C ATOM 712 OE1 GLN A 45 -50.183 24.441 -2.322 1.00 0.00 O ATOM 713 NE2 GLN A 45 -50.781 24.429 -4.493 1.00 0.00 N ATOM 0 H GLN A 45 -54.779 26.628 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 45 -53.890 24.631 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -52.326 23.677 -1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -53.846 23.702 -2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -53.028 25.110 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -52.361 26.205 -2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -51.515 24.615 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -49.873 24.081 -4.802 1.00 0.00 H new ATOM 722 N MET A 46 -51.605 25.889 0.372 1.00 0.00 N ATOM 723 CA MET A 46 -50.576 26.806 0.831 1.00 0.00 C ATOM 724 C MET A 46 -50.070 27.682 -0.317 1.00 0.00 C ATOM 725 O MET A 46 -49.859 28.881 -0.139 1.00 0.00 O ATOM 726 CB MET A 46 -49.408 26.009 1.418 1.00 0.00 C ATOM 727 CG MET A 46 -48.186 26.906 1.631 1.00 0.00 C ATOM 728 SD MET A 46 -47.138 26.215 2.900 1.00 0.00 S ATOM 729 CE MET A 46 -45.757 25.677 1.904 1.00 0.00 C ATOM 0 H MET A 46 -51.433 24.909 0.595 1.00 0.00 H new ATOM 0 HA MET A 46 -51.007 27.454 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 46 -49.707 25.564 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 46 -49.150 25.189 0.748 1.00 0.00 H new ATOM 0 HG2 MET A 46 -47.628 27.003 0.699 1.00 0.00 H new ATOM 0 HG3 MET A 46 -48.505 27.908 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 46 -45.004 25.218 2.544 1.00 0.00 H new ATOM 0 HE2 MET A 46 -46.100 24.949 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 46 -45.323 26.535 1.390 1.00 0.00 H new ATOM 739 N LYS A 47 -49.891 27.051 -1.467 1.00 0.00 N ATOM 740 CA LYS A 47 -49.414 27.759 -2.643 1.00 0.00 C ATOM 741 C LYS A 47 -50.319 28.963 -2.909 1.00 0.00 C ATOM 742 O LYS A 47 -49.877 29.963 -3.475 1.00 0.00 O ATOM 743 CB LYS A 47 -49.296 26.803 -3.832 1.00 0.00 C ATOM 744 CG LYS A 47 -48.331 27.352 -4.884 1.00 0.00 C ATOM 745 CD LYS A 47 -46.986 26.624 -4.828 1.00 0.00 C ATOM 746 CE LYS A 47 -46.903 25.545 -5.909 1.00 0.00 C ATOM 747 NZ LYS A 47 -46.657 26.156 -7.234 1.00 0.00 N ATOM 0 H LYS A 47 -50.068 26.057 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 47 -48.409 28.146 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -48.948 25.829 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -50.278 26.650 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -48.768 27.241 -5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -48.178 28.419 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -46.175 27.340 -4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -46.854 26.171 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -46.103 24.844 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -47.831 24.973 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -47.042 25.539 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -47.122 27.085 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -45.634 26.274 -7.377 1.00 0.00 H new ATOM 761 N ASP A 48 -51.569 28.828 -2.490 1.00 0.00 N ATOM 762 CA ASP A 48 -52.539 29.894 -2.676 1.00 0.00 C ATOM 763 C ASP A 48 -53.142 30.270 -1.322 1.00 0.00 C ATOM 764 O ASP A 48 -54.302 30.674 -1.244 1.00 0.00 O ATOM 765 CB ASP A 48 -53.679 29.447 -3.593 1.00 0.00 C ATOM 766 CG ASP A 48 -53.236 28.778 -4.896 1.00 0.00 C ATOM 767 OD1 ASP A 48 -52.922 27.569 -4.835 1.00 0.00 O ATOM 768 OD2 ASP A 48 -53.221 29.489 -5.922 1.00 0.00 O ATOM 0 H ASP A 48 -51.932 27.997 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 48 -52.025 30.743 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -54.316 28.753 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -54.290 30.316 -3.838 1.00 0.00 H new ATOM 773 N CYS A 49 -52.329 30.125 -0.286 1.00 0.00 N ATOM 774 CA CYS A 49 -52.768 30.445 1.062 1.00 0.00 C ATOM 775 C CYS A 49 -53.376 31.849 1.048 1.00 0.00 C ATOM 776 O CYS A 49 -52.998 32.685 0.228 1.00 0.00 O ATOM 777 CB CYS A 49 -51.624 30.328 2.072 1.00 0.00 C ATOM 778 SG CYS A 49 -52.287 30.388 3.777 1.00 0.00 S ATOM 0 H CYS A 49 -51.368 29.790 -0.353 1.00 0.00 H new ATOM 0 HA CYS A 49 -53.523 29.727 1.382 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -51.084 29.394 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -50.911 31.138 1.922 1.00 0.00 H new ATOM 0 HG CYS A 49 -52.795 29.232 4.086 1.00 0.00 H new ATOM 783 N THR A 50 -54.306 32.066 1.966 1.00 0.00 N ATOM 784 CA THR A 50 -54.970 33.353 2.070 1.00 0.00 C ATOM 785 C THR A 50 -54.546 34.069 3.355 1.00 0.00 C ATOM 786 O THR A 50 -54.685 35.287 3.465 1.00 0.00 O ATOM 787 CB THR A 50 -56.478 33.118 1.976 1.00 0.00 C ATOM 788 OG1 THR A 50 -57.040 34.424 2.068 1.00 0.00 O ATOM 789 CG2 THR A 50 -57.034 32.385 3.199 1.00 0.00 C ATOM 0 H THR A 50 -54.615 31.371 2.645 1.00 0.00 H new ATOM 0 HA THR A 50 -54.679 34.014 1.254 1.00 0.00 H new ATOM 0 HB THR A 50 -56.700 32.543 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 50 -56.447 34.999 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 50 -58.108 32.244 3.081 1.00 0.00 H new ATOM 0 HG22 THR A 50 -56.548 31.414 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 50 -56.842 32.975 4.095 1.00 0.00 H new ATOM 797 N GLU A 51 -54.038 33.283 4.293 1.00 0.00 N ATOM 798 CA GLU A 51 -53.594 33.826 5.565 1.00 0.00 C ATOM 799 C GLU A 51 -52.186 34.410 5.429 1.00 0.00 C ATOM 800 O GLU A 51 -51.977 35.599 5.671 1.00 0.00 O ATOM 801 CB GLU A 51 -53.642 32.762 6.662 1.00 0.00 C ATOM 802 CG GLU A 51 -54.940 32.863 7.466 1.00 0.00 C ATOM 803 CD GLU A 51 -54.648 33.078 8.953 1.00 0.00 C ATOM 804 OE1 GLU A 51 -53.734 33.879 9.242 1.00 0.00 O ATOM 805 OE2 GLU A 51 -55.347 32.435 9.766 1.00 0.00 O ATOM 0 H GLU A 51 -53.924 32.274 4.197 1.00 0.00 H new ATOM 0 HA GLU A 51 -54.274 34.628 5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -53.562 31.771 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -52.787 32.882 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -55.544 33.688 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -55.525 31.953 7.334 1.00 0.00 H new