USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 370 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD Set 1.1: A 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 HIS : no HD1:sc= -0.0958 X(o=-0.096,f=-0.14) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.336 K(o=-0.34,f=-3.1) USER MOD Single : A 23 GLN : amide:sc= -0.0479 K(o=-0.048,f=-0.95) USER MOD Single : A 30 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=-0.00032) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= 0.115 (180deg=-0.306) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 -3.913 -1.754 -4.027 1.00 3.22 N ATOM 2 CA MET A 11 -3.162 -1.005 -5.028 1.00 61.43 C ATOM 3 C MET A 11 -1.770 -0.653 -4.513 1.00 52.30 C ATOM 4 O MET A 11 -1.627 0.001 -3.479 1.00 33.34 O ATOM 5 CB MET A 11 -3.914 0.270 -5.413 1.00 74.22 C ATOM 6 CG MET A 11 -5.216 0.008 -6.152 1.00 74.54 C ATOM 7 SD MET A 11 -6.511 1.186 -5.719 1.00 45.05 S ATOM 8 CE MET A 11 -7.816 0.078 -5.194 1.00 62.32 C ATOM 0 HA MET A 11 -3.054 -1.635 -5.911 1.00 61.43 H new ATOM 0 HB2 MET A 11 -4.127 0.843 -4.510 1.00 74.22 H new ATOM 0 HB3 MET A 11 -3.269 0.888 -6.038 1.00 74.22 H new ATOM 0 HG2 MET A 11 -5.035 0.052 -7.226 1.00 74.54 H new ATOM 0 HG3 MET A 11 -5.559 -1.002 -5.928 1.00 74.54 H new ATOM 0 HE1 MET A 11 -8.688 0.659 -4.894 1.00 62.32 H new ATOM 0 HE2 MET A 11 -8.086 -0.583 -6.018 1.00 62.32 H new ATOM 0 HE3 MET A 11 -7.470 -0.518 -4.350 1.00 62.32 H new ATOM 18 N LEU A 12 -0.747 -1.089 -5.240 1.00 12.24 N ATOM 19 CA LEU A 12 0.634 -0.819 -4.855 1.00 61.15 C ATOM 20 C LEU A 12 1.385 -0.117 -5.982 1.00 64.22 C ATOM 21 O LEU A 12 1.714 -0.730 -6.998 1.00 41.44 O ATOM 22 CB LEU A 12 1.345 -2.122 -4.487 1.00 65.21 C ATOM 23 CG LEU A 12 0.492 -3.177 -3.782 1.00 53.04 C ATOM 24 CD1 LEU A 12 0.143 -4.308 -4.738 1.00 44.51 C ATOM 25 CD2 LEU A 12 1.214 -3.716 -2.556 1.00 63.05 C ATOM 0 H LEU A 12 -0.848 -1.630 -6.099 1.00 12.24 H new ATOM 0 HA LEU A 12 0.622 -0.161 -3.986 1.00 61.15 H new ATOM 0 HB2 LEU A 12 1.750 -2.561 -5.399 1.00 65.21 H new ATOM 0 HB3 LEU A 12 2.193 -1.881 -3.845 1.00 65.21 H new ATOM 0 HG LEU A 12 -0.435 -2.706 -3.455 1.00 53.04 H new ATOM 0 HD11 LEU A 12 -0.464 -5.049 -4.218 1.00 44.51 H new ATOM 0 HD12 LEU A 12 -0.416 -3.909 -5.584 1.00 44.51 H new ATOM 0 HD13 LEU A 12 1.059 -4.777 -5.097 1.00 44.51 H new ATOM 0 HD21 LEU A 12 0.591 -4.466 -2.067 1.00 63.05 H new ATOM 0 HD22 LEU A 12 2.157 -4.170 -2.860 1.00 63.05 H new ATOM 0 HD23 LEU A 12 1.411 -2.899 -1.861 1.00 63.05 H new ATOM 37 N ASP A 13 1.656 1.170 -5.794 1.00 32.31 N ATOM 38 CA ASP A 13 2.372 1.955 -6.793 1.00 33.31 C ATOM 39 C ASP A 13 2.853 3.276 -6.203 1.00 1.44 C ATOM 40 O ASP A 13 2.082 4.227 -6.071 1.00 31.03 O ATOM 41 CB ASP A 13 1.475 2.219 -8.003 1.00 50.04 C ATOM 42 CG ASP A 13 2.108 1.764 -9.303 1.00 62.34 C ATOM 43 OD1 ASP A 13 3.022 2.460 -9.793 1.00 72.45 O ATOM 44 OD2 ASP A 13 1.690 0.712 -9.831 1.00 73.13 O ATOM 0 H ASP A 13 1.391 1.692 -4.959 1.00 32.31 H new ATOM 0 HA ASP A 13 3.243 1.383 -7.114 1.00 33.31 H new ATOM 0 HB2 ASP A 13 0.524 1.704 -7.866 1.00 50.04 H new ATOM 0 HB3 ASP A 13 1.255 3.285 -8.063 1.00 50.04 H new ATOM 49 N VAL A 14 4.133 3.329 -5.848 1.00 0.03 N ATOM 50 CA VAL A 14 4.718 4.534 -5.271 1.00 73.12 C ATOM 51 C VAL A 14 5.132 5.518 -6.359 1.00 44.11 C ATOM 52 O VAL A 14 6.285 5.943 -6.419 1.00 42.54 O ATOM 53 CB VAL A 14 5.944 4.201 -4.400 1.00 51.44 C ATOM 54 CG1 VAL A 14 5.522 3.444 -3.151 1.00 31.22 C ATOM 55 CG2 VAL A 14 6.963 3.403 -5.199 1.00 43.40 C ATOM 0 H VAL A 14 4.785 2.551 -5.950 1.00 0.03 H new ATOM 0 HA VAL A 14 3.951 4.991 -4.645 1.00 73.12 H new ATOM 0 HB VAL A 14 6.411 5.135 -4.088 1.00 51.44 H new ATOM 0 HG11 VAL A 14 6.401 3.218 -2.548 1.00 31.22 H new ATOM 0 HG12 VAL A 14 4.832 4.056 -2.570 1.00 31.22 H new ATOM 0 HG13 VAL A 14 5.030 2.515 -3.438 1.00 31.22 H new ATOM 0 HG21 VAL A 14 7.823 3.176 -4.569 1.00 43.40 H new ATOM 0 HG22 VAL A 14 6.509 2.473 -5.542 1.00 43.40 H new ATOM 0 HG23 VAL A 14 7.288 3.987 -6.060 1.00 43.40 H new ATOM 65 N GLY A 15 4.183 5.877 -7.218 1.00 41.03 N ATOM 66 CA GLY A 15 4.469 6.809 -8.293 1.00 2.30 C ATOM 67 C GLY A 15 4.531 6.132 -9.647 1.00 74.44 C ATOM 68 O GLY A 15 4.691 4.914 -9.735 1.00 10.05 O ATOM 0 H GLY A 15 3.221 5.539 -7.189 1.00 41.03 H new ATOM 0 HA2 GLY A 15 3.702 7.583 -8.312 1.00 2.30 H new ATOM 0 HA3 GLY A 15 5.419 7.306 -8.095 1.00 2.30 H new ATOM 72 N LYS A 16 4.401 6.921 -10.708 1.00 60.25 N ATOM 73 CA LYS A 16 4.442 6.391 -12.066 1.00 60.03 C ATOM 74 C LYS A 16 5.789 6.678 -12.722 1.00 10.20 C ATOM 75 O LYS A 16 6.308 7.791 -12.635 1.00 42.52 O ATOM 76 CB LYS A 16 3.315 6.996 -12.906 1.00 73.01 C ATOM 77 CG LYS A 16 2.339 5.965 -13.448 1.00 5.31 C ATOM 78 CD LYS A 16 1.149 5.783 -12.521 1.00 61.13 C ATOM 79 CE LYS A 16 0.487 4.428 -12.724 1.00 5.31 C ATOM 80 NZ LYS A 16 -0.347 4.038 -11.554 1.00 10.11 N ATOM 0 H LYS A 16 4.266 7.931 -10.654 1.00 60.25 H new ATOM 0 HA LYS A 16 4.307 5.311 -12.012 1.00 60.03 H new ATOM 0 HB2 LYS A 16 2.768 7.718 -12.299 1.00 73.01 H new ATOM 0 HB3 LYS A 16 3.750 7.546 -13.740 1.00 73.01 H new ATOM 0 HG2 LYS A 16 1.990 6.275 -14.433 1.00 5.31 H new ATOM 0 HG3 LYS A 16 2.850 5.011 -13.577 1.00 5.31 H new ATOM 0 HD2 LYS A 16 1.475 5.878 -11.485 1.00 61.13 H new ATOM 0 HD3 LYS A 16 0.422 6.575 -12.700 1.00 61.13 H new ATOM 0 HE2 LYS A 16 -0.134 4.458 -13.619 1.00 5.31 H new ATOM 0 HE3 LYS A 16 1.253 3.671 -12.893 1.00 5.31 H new ATOM 0 HZ1 LYS A 16 -0.781 3.110 -11.731 1.00 10.11 H new ATOM 0 HZ2 LYS A 16 0.250 3.985 -10.704 1.00 10.11 H new ATOM 0 HZ3 LYS A 16 -1.094 4.747 -11.408 1.00 10.11 H new ATOM 94 N HIS A 17 6.350 5.668 -13.379 1.00 74.21 N ATOM 95 CA HIS A 17 7.636 5.813 -14.052 1.00 12.14 C ATOM 96 C HIS A 17 7.446 6.278 -15.492 1.00 40.42 C ATOM 97 O HIS A 17 6.545 5.814 -16.192 1.00 44.31 O ATOM 98 CB HIS A 17 8.400 4.489 -14.028 1.00 1.15 C ATOM 99 CG HIS A 17 8.380 3.810 -12.693 1.00 11.03 C ATOM 100 ND1 HIS A 17 7.279 3.135 -12.208 1.00 44.04 N ATOM 101 CD2 HIS A 17 9.335 3.703 -11.739 1.00 72.04 C ATOM 102 CE1 HIS A 17 7.558 2.644 -11.014 1.00 74.41 C ATOM 103 NE2 HIS A 17 8.799 2.974 -10.706 1.00 71.24 N ATOM 0 H HIS A 17 5.934 4.740 -13.460 1.00 74.21 H new ATOM 0 HA HIS A 17 8.214 6.567 -13.519 1.00 12.14 H new ATOM 0 HB2 HIS A 17 7.973 3.819 -14.774 1.00 1.15 H new ATOM 0 HB3 HIS A 17 9.435 4.671 -14.319 1.00 1.15 H new ATOM 0 HD1 HIS A 17 6.389 3.031 -12.695 1.00 44.04 H new ATOM 0 HD2 HIS A 17 10.333 4.114 -11.782 1.00 72.04 H new ATOM 0 HE1 HIS A 17 6.885 2.070 -10.394 1.00 74.41 H new ATOM 111 N CYS A 18 8.300 7.198 -15.929 1.00 53.30 N ATOM 112 CA CYS A 18 8.226 7.728 -17.285 1.00 61.13 C ATOM 113 C CYS A 18 8.182 6.597 -18.309 1.00 50.21 C ATOM 114 O CYS A 18 8.747 5.526 -18.091 1.00 10.02 O ATOM 115 CB CYS A 18 9.424 8.638 -17.565 1.00 74.05 C ATOM 116 SG CYS A 18 9.236 9.678 -19.049 1.00 61.14 S ATOM 0 H CYS A 18 9.052 7.592 -15.363 1.00 53.30 H new ATOM 0 HA CYS A 18 7.308 8.309 -17.372 1.00 61.13 H new ATOM 0 HB2 CYS A 18 9.587 9.282 -16.701 1.00 74.05 H new ATOM 0 HB3 CYS A 18 10.316 8.022 -17.676 1.00 74.05 H new ATOM 121 N ALA A 19 7.507 6.845 -19.427 1.00 31.42 N ATOM 122 CA ALA A 19 7.391 5.849 -20.485 1.00 53.23 C ATOM 123 C ALA A 19 8.398 6.113 -21.600 1.00 33.34 C ATOM 124 O ALA A 19 8.270 5.582 -22.703 1.00 54.55 O ATOM 125 CB ALA A 19 5.975 5.835 -21.043 1.00 62.40 C ATOM 0 H ALA A 19 7.033 7.726 -19.623 1.00 31.42 H new ATOM 0 HA ALA A 19 7.611 4.871 -20.056 1.00 53.23 H new ATOM 0 HB1 ALA A 19 5.902 5.087 -21.832 1.00 62.40 H new ATOM 0 HB2 ALA A 19 5.272 5.591 -20.246 1.00 62.40 H new ATOM 0 HB3 ALA A 19 5.735 6.817 -21.451 1.00 62.40 H new ATOM 131 N TYR A 20 9.398 6.935 -21.304 1.00 62.10 N ATOM 132 CA TYR A 20 10.426 7.271 -22.282 1.00 54.25 C ATOM 133 C TYR A 20 11.820 7.106 -21.687 1.00 3.04 C ATOM 134 O TYR A 20 12.713 6.536 -22.314 1.00 43.14 O ATOM 135 CB TYR A 20 10.237 8.706 -22.778 1.00 63.02 C ATOM 136 CG TYR A 20 10.740 8.931 -24.186 1.00 43.12 C ATOM 137 CD1 TYR A 20 11.983 9.507 -24.417 1.00 43.23 C ATOM 138 CD2 TYR A 20 9.973 8.567 -25.286 1.00 34.35 C ATOM 139 CE1 TYR A 20 12.446 9.715 -25.702 1.00 43.30 C ATOM 140 CE2 TYR A 20 10.428 8.770 -26.574 1.00 22.31 C ATOM 141 CZ TYR A 20 11.665 9.345 -26.777 1.00 23.21 C ATOM 142 OH TYR A 20 12.124 9.549 -28.058 1.00 54.22 O ATOM 0 H TYR A 20 9.519 7.381 -20.395 1.00 62.10 H new ATOM 0 HA TYR A 20 10.328 6.586 -23.124 1.00 54.25 H new ATOM 0 HB2 TYR A 20 9.178 8.960 -22.735 1.00 63.02 H new ATOM 0 HB3 TYR A 20 10.756 9.386 -22.103 1.00 63.02 H new ATOM 0 HD1 TYR A 20 12.598 9.797 -23.578 1.00 43.23 H new ATOM 0 HD2 TYR A 20 9.003 8.117 -25.131 1.00 34.35 H new ATOM 0 HE1 TYR A 20 13.414 10.165 -25.864 1.00 43.30 H new ATOM 0 HE2 TYR A 20 9.819 8.480 -27.417 1.00 22.31 H new ATOM 0 HH TYR A 20 11.454 9.233 -28.700 1.00 54.22 H new ATOM 152 N CYS A 21 12.000 7.608 -20.470 1.00 11.53 N ATOM 153 CA CYS A 21 13.284 7.518 -19.786 1.00 64.12 C ATOM 154 C CYS A 21 13.188 6.607 -18.566 1.00 22.03 C ATOM 155 O CYS A 21 14.203 6.217 -17.988 1.00 31.01 O ATOM 156 CB CYS A 21 13.759 8.909 -19.362 1.00 2.01 C ATOM 157 SG CYS A 21 12.910 9.568 -17.891 1.00 24.33 S ATOM 0 H CYS A 21 11.271 8.082 -19.937 1.00 11.53 H new ATOM 0 HA CYS A 21 14.008 7.091 -20.480 1.00 64.12 H new ATOM 0 HB2 CYS A 21 14.830 8.871 -19.163 1.00 2.01 H new ATOM 0 HB3 CYS A 21 13.613 9.600 -20.192 1.00 2.01 H new ATOM 162 N ARG A 22 11.961 6.272 -18.180 1.00 4.04 N ATOM 163 CA ARG A 22 11.732 5.408 -17.028 1.00 1.22 C ATOM 164 C ARG A 22 12.278 6.045 -15.753 1.00 50.22 C ATOM 165 O ARG A 22 13.275 5.586 -15.197 1.00 20.11 O ATOM 166 CB ARG A 22 12.386 4.043 -17.249 1.00 4.10 C ATOM 167 CG ARG A 22 11.450 3.010 -17.855 1.00 4.21 C ATOM 168 CD ARG A 22 11.052 1.954 -16.836 1.00 62.32 C ATOM 169 NE ARG A 22 10.630 0.710 -17.474 1.00 72.23 N ATOM 170 CZ ARG A 22 9.418 0.520 -17.984 1.00 33.14 C ATOM 171 NH1 ARG A 22 8.513 1.488 -17.930 1.00 64.02 N ATOM 172 NH2 ARG A 22 9.108 -0.640 -18.548 1.00 64.35 N ATOM 0 H ARG A 22 11.111 6.586 -18.648 1.00 4.04 H new ATOM 0 HA ARG A 22 10.656 5.274 -16.915 1.00 1.22 H new ATOM 0 HB2 ARG A 22 13.250 4.165 -17.902 1.00 4.10 H new ATOM 0 HB3 ARG A 22 12.758 3.669 -16.295 1.00 4.10 H new ATOM 0 HG2 ARG A 22 10.557 3.505 -18.235 1.00 4.21 H new ATOM 0 HG3 ARG A 22 11.936 2.532 -18.706 1.00 4.21 H new ATOM 0 HD2 ARG A 22 11.894 1.754 -16.173 1.00 62.32 H new ATOM 0 HD3 ARG A 22 10.242 2.336 -16.215 1.00 62.32 H new ATOM 0 HE ARG A 22 11.302 -0.055 -17.531 1.00 72.23 H new ATOM 0 HH11 ARG A 22 8.747 2.381 -17.496 1.00 64.02 H new ATOM 0 HH12 ARG A 22 7.583 1.339 -18.322 1.00 64.02 H new ATOM 0 HH21 ARG A 22 9.801 -1.388 -18.591 1.00 64.35 H new ATOM 0 HH22 ARG A 22 8.177 -0.784 -18.939 1.00 64.35 H new ATOM 186 N GLN A 23 11.618 7.105 -15.298 1.00 34.12 N ATOM 187 CA GLN A 23 12.038 7.805 -14.090 1.00 11.21 C ATOM 188 C GLN A 23 10.938 7.777 -13.034 1.00 10.13 C ATOM 189 O GLN A 23 9.874 8.371 -13.214 1.00 72.44 O ATOM 190 CB GLN A 23 12.410 9.252 -14.417 1.00 40.33 C ATOM 191 CG GLN A 23 13.897 9.460 -14.653 1.00 64.53 C ATOM 192 CD GLN A 23 14.238 10.894 -15.004 1.00 4.53 C ATOM 193 OE1 GLN A 23 13.396 11.641 -15.504 1.00 20.52 O ATOM 194 NE2 GLN A 23 15.479 11.289 -14.742 1.00 40.24 N ATOM 0 H GLN A 23 10.791 7.498 -15.747 1.00 34.12 H new ATOM 0 HA GLN A 23 12.913 7.293 -13.690 1.00 11.21 H new ATOM 0 HB2 GLN A 23 11.862 9.567 -15.305 1.00 40.33 H new ATOM 0 HB3 GLN A 23 12.087 9.895 -13.598 1.00 40.33 H new ATOM 0 HG2 GLN A 23 14.447 9.169 -13.758 1.00 64.53 H new ATOM 0 HG3 GLN A 23 14.228 8.804 -15.458 1.00 64.53 H new ATOM 0 HE21 GLN A 23 16.145 10.637 -14.327 1.00 40.24 H new ATOM 0 HE22 GLN A 23 15.766 12.244 -14.956 1.00 40.24 H new ATOM 203 N LEU A 24 11.201 7.084 -11.931 1.00 72.14 N ATOM 204 CA LEU A 24 10.233 6.978 -10.845 1.00 72.12 C ATOM 205 C LEU A 24 9.926 8.350 -10.253 1.00 62.22 C ATOM 206 O LEU A 24 10.734 8.912 -9.514 1.00 12.35 O ATOM 207 CB LEU A 24 10.761 6.045 -9.754 1.00 4.41 C ATOM 208 CG LEU A 24 9.721 5.498 -8.776 1.00 55.44 C ATOM 209 CD1 LEU A 24 10.265 4.284 -8.041 1.00 62.20 C ATOM 210 CD2 LEU A 24 9.298 6.577 -7.789 1.00 73.51 C ATOM 0 H LEU A 24 12.076 6.587 -11.765 1.00 72.14 H new ATOM 0 HA LEU A 24 9.311 6.564 -11.253 1.00 72.12 H new ATOM 0 HB2 LEU A 24 11.257 5.202 -10.234 1.00 4.41 H new ATOM 0 HB3 LEU A 24 11.521 6.579 -9.184 1.00 4.41 H new ATOM 0 HG LEU A 24 8.844 5.189 -9.344 1.00 55.44 H new ATOM 0 HD11 LEU A 24 9.510 3.909 -7.350 1.00 62.20 H new ATOM 0 HD12 LEU A 24 10.516 3.505 -8.761 1.00 62.20 H new ATOM 0 HD13 LEU A 24 11.159 4.566 -7.485 1.00 62.20 H new ATOM 0 HD21 LEU A 24 8.557 6.170 -7.100 1.00 73.51 H new ATOM 0 HD22 LEU A 24 10.168 6.917 -7.227 1.00 73.51 H new ATOM 0 HD23 LEU A 24 8.865 7.417 -8.332 1.00 73.51 H new ATOM 222 N ASP A 25 8.754 8.882 -10.582 1.00 21.52 N ATOM 223 CA ASP A 25 8.339 10.186 -10.080 1.00 52.31 C ATOM 224 C ASP A 25 7.105 10.059 -9.192 1.00 2.34 C ATOM 225 O ASP A 25 6.408 9.045 -9.221 1.00 21.03 O ATOM 226 CB ASP A 25 8.049 11.135 -11.244 1.00 11.41 C ATOM 227 CG ASP A 25 8.467 12.562 -10.946 1.00 24.32 C ATOM 228 OD1 ASP A 25 7.576 13.407 -10.723 1.00 33.22 O ATOM 229 OD2 ASP A 25 9.687 12.833 -10.936 1.00 55.15 O ATOM 0 H ASP A 25 8.075 8.430 -11.194 1.00 21.52 H new ATOM 0 HA ASP A 25 9.154 10.594 -9.482 1.00 52.31 H new ATOM 0 HB2 ASP A 25 8.572 10.785 -12.134 1.00 11.41 H new ATOM 0 HB3 ASP A 25 6.983 11.112 -11.471 1.00 11.41 H new ATOM 234 N PHE A 26 6.842 11.095 -8.402 1.00 2.04 N ATOM 235 CA PHE A 26 5.694 11.099 -7.503 1.00 31.33 C ATOM 236 C PHE A 26 4.482 11.741 -8.171 1.00 41.51 C ATOM 237 O PHE A 26 3.351 11.281 -8.008 1.00 24.31 O ATOM 238 CB PHE A 26 6.033 11.845 -6.211 1.00 22.34 C ATOM 239 CG PHE A 26 7.371 11.474 -5.638 1.00 64.12 C ATOM 240 CD1 PHE A 26 8.527 12.093 -6.086 1.00 41.15 C ATOM 241 CD2 PHE A 26 7.474 10.507 -4.651 1.00 72.45 C ATOM 242 CE1 PHE A 26 9.760 11.753 -5.562 1.00 13.21 C ATOM 243 CE2 PHE A 26 8.704 10.163 -4.123 1.00 33.22 C ATOM 244 CZ PHE A 26 9.848 10.788 -4.578 1.00 60.20 C ATOM 0 H PHE A 26 7.408 11.942 -8.366 1.00 2.04 H new ATOM 0 HA PHE A 26 5.449 10.064 -7.263 1.00 31.33 H new ATOM 0 HB2 PHE A 26 6.014 12.918 -6.405 1.00 22.34 H new ATOM 0 HB3 PHE A 26 5.260 11.641 -5.470 1.00 22.34 H new ATOM 0 HD1 PHE A 26 8.464 12.850 -6.854 1.00 41.15 H new ATOM 0 HD2 PHE A 26 6.582 10.016 -4.290 1.00 72.45 H new ATOM 0 HE1 PHE A 26 10.654 12.241 -5.922 1.00 13.21 H new ATOM 0 HE2 PHE A 26 8.770 9.406 -3.355 1.00 33.22 H new ATOM 0 HZ PHE A 26 10.810 10.523 -4.165 1.00 60.20 H new ATOM 254 N LEU A 27 4.726 12.809 -8.924 1.00 30.34 N ATOM 255 CA LEU A 27 3.655 13.517 -9.617 1.00 65.42 C ATOM 256 C LEU A 27 3.748 13.302 -11.124 1.00 60.25 C ATOM 257 O LEU A 27 4.303 14.118 -11.860 1.00 4.32 O ATOM 258 CB LEU A 27 3.716 15.012 -9.299 1.00 22.40 C ATOM 259 CG LEU A 27 2.631 15.543 -8.362 1.00 72.10 C ATOM 260 CD1 LEU A 27 3.084 16.834 -7.698 1.00 50.02 C ATOM 261 CD2 LEU A 27 1.330 15.760 -9.121 1.00 70.54 C ATOM 0 H LEU A 27 5.655 13.203 -9.070 1.00 30.34 H new ATOM 0 HA LEU A 27 2.703 13.117 -9.269 1.00 65.42 H new ATOM 0 HB2 LEU A 27 4.688 15.230 -8.857 1.00 22.40 H new ATOM 0 HB3 LEU A 27 3.661 15.565 -10.237 1.00 22.40 H new ATOM 0 HG LEU A 27 2.455 14.800 -7.584 1.00 72.10 H new ATOM 0 HD11 LEU A 27 2.299 17.197 -7.035 1.00 50.02 H new ATOM 0 HD12 LEU A 27 3.990 16.648 -7.120 1.00 50.02 H new ATOM 0 HD13 LEU A 27 3.289 17.584 -8.462 1.00 50.02 H new ATOM 0 HD21 LEU A 27 0.569 16.138 -8.438 1.00 70.54 H new ATOM 0 HD22 LEU A 27 1.491 16.483 -9.921 1.00 70.54 H new ATOM 0 HD23 LEU A 27 0.996 14.815 -9.549 1.00 70.54 H new ATOM 273 N PRO A 28 3.190 12.178 -11.598 1.00 35.23 N ATOM 274 CA PRO A 28 3.194 11.831 -13.022 1.00 34.31 C ATOM 275 C PRO A 28 2.289 12.743 -13.843 1.00 73.34 C ATOM 276 O PRO A 28 1.125 12.953 -13.499 1.00 64.25 O ATOM 277 CB PRO A 28 2.663 10.395 -13.039 1.00 11.04 C ATOM 278 CG PRO A 28 1.844 10.279 -11.800 1.00 12.54 C ATOM 279 CD PRO A 28 2.511 11.160 -10.779 1.00 34.52 C ATOM 0 HA PRO A 28 4.184 11.939 -13.465 1.00 34.31 H new ATOM 0 HB2 PRO A 28 2.063 10.205 -13.929 1.00 11.04 H new ATOM 0 HB3 PRO A 28 3.478 9.672 -13.044 1.00 11.04 H new ATOM 0 HG2 PRO A 28 0.817 10.598 -11.980 1.00 12.54 H new ATOM 0 HG3 PRO A 28 1.801 9.246 -11.456 1.00 12.54 H new ATOM 0 HD2 PRO A 28 1.786 11.609 -10.100 1.00 34.52 H new ATOM 0 HD3 PRO A 28 3.218 10.601 -10.166 1.00 34.52 H new ATOM 287 N PHE A 29 2.830 13.282 -14.931 1.00 31.22 N ATOM 288 CA PHE A 29 2.071 14.172 -15.801 1.00 50.04 C ATOM 289 C PHE A 29 1.284 13.377 -16.840 1.00 5.14 C ATOM 290 O PHE A 29 1.856 12.835 -17.787 1.00 14.44 O ATOM 291 CB PHE A 29 3.009 15.158 -16.501 1.00 22.22 C ATOM 292 CG PHE A 29 3.425 16.309 -15.631 1.00 3.40 C ATOM 293 CD1 PHE A 29 2.782 17.533 -15.724 1.00 33.23 C ATOM 294 CD2 PHE A 29 4.461 16.169 -14.721 1.00 34.41 C ATOM 295 CE1 PHE A 29 3.162 18.595 -14.924 1.00 72.45 C ATOM 296 CE2 PHE A 29 4.845 17.226 -13.919 1.00 12.42 C ATOM 297 CZ PHE A 29 4.196 18.441 -14.022 1.00 15.24 C ATOM 0 H PHE A 29 3.791 13.118 -15.231 1.00 31.22 H new ATOM 0 HA PHE A 29 1.366 14.728 -15.183 1.00 50.04 H new ATOM 0 HB2 PHE A 29 3.899 14.625 -16.836 1.00 22.22 H new ATOM 0 HB3 PHE A 29 2.516 15.546 -17.392 1.00 22.22 H new ATOM 0 HD1 PHE A 29 1.974 17.659 -16.430 1.00 33.23 H new ATOM 0 HD2 PHE A 29 4.974 15.222 -14.638 1.00 34.41 H new ATOM 0 HE1 PHE A 29 2.651 19.543 -15.005 1.00 72.45 H new ATOM 0 HE2 PHE A 29 5.652 17.103 -13.212 1.00 12.42 H new ATOM 0 HZ PHE A 29 4.497 19.269 -13.398 1.00 15.24 H new ATOM 307 N HIS A 30 -0.030 13.311 -16.654 1.00 52.22 N ATOM 308 CA HIS A 30 -0.896 12.583 -17.574 1.00 74.42 C ATOM 309 C HIS A 30 -1.175 13.408 -18.827 1.00 30.12 C ATOM 310 O HIS A 30 -1.633 14.548 -18.743 1.00 33.22 O ATOM 311 CB HIS A 30 -2.212 12.217 -16.887 1.00 75.32 C ATOM 312 CG HIS A 30 -3.189 11.528 -17.791 1.00 3.52 C ATOM 313 ND1 HIS A 30 -3.233 10.159 -17.947 1.00 50.24 N ATOM 314 CD2 HIS A 30 -4.162 12.028 -18.587 1.00 53.52 C ATOM 315 CE1 HIS A 30 -4.190 9.847 -18.802 1.00 74.24 C ATOM 316 NE2 HIS A 30 -4.770 10.963 -19.205 1.00 50.31 N ATOM 0 H HIS A 30 -0.518 13.753 -15.875 1.00 52.22 H new ATOM 0 HA HIS A 30 -0.382 11.668 -17.870 1.00 74.42 H new ATOM 0 HB2 HIS A 30 -2.000 11.571 -16.035 1.00 75.32 H new ATOM 0 HB3 HIS A 30 -2.671 13.124 -16.493 1.00 75.32 H new ATOM 0 HD2 HIS A 30 -4.414 13.071 -18.713 1.00 53.52 H new ATOM 0 HE1 HIS A 30 -4.454 8.848 -19.118 1.00 74.24 H new ATOM 0 HE2 HIS A 30 -5.543 11.024 -19.867 1.00 50.31 H new ATOM 324 N CYS A 31 -0.895 12.825 -19.988 1.00 4.43 N ATOM 325 CA CYS A 31 -1.113 13.506 -21.258 1.00 54.31 C ATOM 326 C CYS A 31 -2.550 13.316 -21.737 1.00 1.53 C ATOM 327 O CYS A 31 -3.072 12.202 -21.741 1.00 23.44 O ATOM 328 CB CYS A 31 -0.139 12.984 -22.315 1.00 62.33 C ATOM 329 SG CYS A 31 0.240 14.182 -23.635 1.00 33.44 S ATOM 0 H CYS A 31 -0.516 11.882 -20.075 1.00 4.43 H new ATOM 0 HA CYS A 31 -0.936 14.571 -21.106 1.00 54.31 H new ATOM 0 HB2 CYS A 31 0.790 12.694 -21.825 1.00 62.33 H new ATOM 0 HB3 CYS A 31 -0.557 12.084 -22.765 1.00 62.33 H new ATOM 334 N SER A 32 -3.183 14.413 -22.140 1.00 13.32 N ATOM 335 CA SER A 32 -4.560 14.369 -22.617 1.00 75.02 C ATOM 336 C SER A 32 -4.605 14.184 -24.131 1.00 0.40 C ATOM 337 O SER A 32 -5.626 14.441 -24.769 1.00 70.44 O ATOM 338 CB SER A 32 -5.300 15.650 -22.226 1.00 44.22 C ATOM 339 OG SER A 32 -6.628 15.369 -21.822 1.00 55.22 O ATOM 0 H SER A 32 -2.764 15.343 -22.146 1.00 13.32 H new ATOM 0 HA SER A 32 -5.053 13.517 -22.149 1.00 75.02 H new ATOM 0 HB2 SER A 32 -4.768 16.148 -21.416 1.00 44.22 H new ATOM 0 HB3 SER A 32 -5.312 16.339 -23.070 1.00 44.22 H new ATOM 0 HG SER A 32 -7.079 16.204 -21.576 1.00 55.22 H new ATOM 345 N PHE A 33 -3.490 13.738 -24.699 1.00 62.13 N ATOM 346 CA PHE A 33 -3.400 13.519 -26.138 1.00 44.52 C ATOM 347 C PHE A 33 -3.161 12.045 -26.451 1.00 35.04 C ATOM 348 O PHE A 33 -3.824 11.466 -27.312 1.00 51.11 O ATOM 349 CB PHE A 33 -2.274 14.367 -26.735 1.00 22.04 C ATOM 350 CG PHE A 33 -2.746 15.672 -27.310 1.00 20.41 C ATOM 351 CD1 PHE A 33 -3.814 16.348 -26.742 1.00 45.34 C ATOM 352 CD2 PHE A 33 -2.122 16.221 -28.419 1.00 35.13 C ATOM 353 CE1 PHE A 33 -4.250 17.549 -27.269 1.00 53.22 C ATOM 354 CE2 PHE A 33 -2.555 17.422 -28.949 1.00 65.45 C ATOM 355 CZ PHE A 33 -3.620 18.086 -28.375 1.00 35.02 C ATOM 0 H PHE A 33 -2.636 13.521 -24.185 1.00 62.13 H new ATOM 0 HA PHE A 33 -4.348 13.818 -26.585 1.00 44.52 H new ATOM 0 HB2 PHE A 33 -1.532 14.567 -25.962 1.00 22.04 H new ATOM 0 HB3 PHE A 33 -1.774 13.795 -27.516 1.00 22.04 H new ATOM 0 HD1 PHE A 33 -4.311 15.932 -25.878 1.00 45.34 H new ATOM 0 HD2 PHE A 33 -1.289 15.705 -28.874 1.00 35.13 H new ATOM 0 HE1 PHE A 33 -5.083 18.067 -26.817 1.00 53.22 H new ATOM 0 HE2 PHE A 33 -2.060 17.841 -29.813 1.00 65.45 H new ATOM 0 HZ PHE A 33 -3.960 19.023 -28.790 1.00 35.02 H new ATOM 365 N CYS A 34 -2.210 11.443 -25.745 1.00 33.14 N ATOM 366 CA CYS A 34 -1.882 10.037 -25.945 1.00 73.34 C ATOM 367 C CYS A 34 -2.367 9.192 -24.771 1.00 30.13 C ATOM 368 O CYS A 34 -2.472 7.970 -24.873 1.00 4.51 O ATOM 369 CB CYS A 34 -0.373 9.864 -26.123 1.00 65.03 C ATOM 370 SG CYS A 34 0.611 10.391 -24.683 1.00 50.24 S ATOM 0 H CYS A 34 -1.652 11.908 -25.028 1.00 33.14 H new ATOM 0 HA CYS A 34 -2.389 9.697 -26.848 1.00 73.34 H new ATOM 0 HB2 CYS A 34 -0.160 8.815 -26.331 1.00 65.03 H new ATOM 0 HB3 CYS A 34 -0.053 10.433 -26.996 1.00 65.03 H new ATOM 375 N ASN A 35 -2.662 9.853 -23.656 1.00 23.43 N ATOM 376 CA ASN A 35 -3.135 9.163 -22.461 1.00 73.22 C ATOM 377 C ASN A 35 -2.034 8.293 -21.863 1.00 1.24 C ATOM 378 O ASN A 35 -2.182 7.077 -21.752 1.00 31.34 O ATOM 379 CB ASN A 35 -4.356 8.302 -22.794 1.00 2.31 C ATOM 380 CG ASN A 35 -5.317 8.186 -21.626 1.00 63.15 C ATOM 381 OD1 ASN A 35 -6.063 9.118 -21.327 1.00 72.02 O ATOM 382 ND2 ASN A 35 -5.302 7.037 -20.960 1.00 42.14 N ATOM 0 H ASN A 35 -2.582 10.865 -23.555 1.00 23.43 H new ATOM 0 HA ASN A 35 -3.418 9.916 -21.725 1.00 73.22 H new ATOM 0 HB2 ASN A 35 -4.878 8.731 -23.649 1.00 2.31 H new ATOM 0 HB3 ASN A 35 -4.025 7.306 -23.089 1.00 2.31 H new ATOM 0 HD21 ASN A 35 -5.926 6.900 -20.165 1.00 42.14 H new ATOM 0 HD22 ASN A 35 -4.666 6.291 -21.244 1.00 42.14 H new ATOM 389 N GLU A 36 -0.930 8.927 -21.478 1.00 71.22 N ATOM 390 CA GLU A 36 0.196 8.210 -20.891 1.00 50.21 C ATOM 391 C GLU A 36 0.865 9.046 -19.803 1.00 73.51 C ATOM 392 O GLU A 36 0.705 10.265 -19.756 1.00 12.32 O ATOM 393 CB GLU A 36 1.217 7.848 -21.971 1.00 64.42 C ATOM 394 CG GLU A 36 0.775 6.703 -22.868 1.00 10.43 C ATOM 395 CD GLU A 36 1.864 5.668 -23.073 1.00 0.42 C ATOM 396 OE1 GLU A 36 1.862 4.654 -22.344 1.00 5.11 O ATOM 397 OE2 GLU A 36 2.717 5.872 -23.961 1.00 44.22 O ATOM 0 H GLU A 36 -0.792 9.934 -21.562 1.00 71.22 H new ATOM 0 HA GLU A 36 -0.185 7.294 -20.439 1.00 50.21 H new ATOM 0 HB2 GLU A 36 1.409 8.727 -22.586 1.00 64.42 H new ATOM 0 HB3 GLU A 36 2.160 7.581 -21.493 1.00 64.42 H new ATOM 0 HG2 GLU A 36 -0.101 6.222 -22.432 1.00 10.43 H new ATOM 0 HG3 GLU A 36 0.471 7.101 -23.836 1.00 10.43 H new ATOM 404 N ASP A 37 1.613 8.380 -18.931 1.00 24.31 N ATOM 405 CA ASP A 37 2.307 9.059 -17.843 1.00 43.52 C ATOM 406 C ASP A 37 3.765 9.321 -18.208 1.00 64.30 C ATOM 407 O ASP A 37 4.414 8.492 -18.847 1.00 42.55 O ATOM 408 CB ASP A 37 2.230 8.228 -16.562 1.00 64.30 C ATOM 409 CG ASP A 37 0.802 7.961 -16.130 1.00 30.21 C ATOM 410 OD1 ASP A 37 0.063 8.938 -15.889 1.00 40.02 O ATOM 411 OD2 ASP A 37 0.423 6.775 -16.032 1.00 22.44 O ATOM 0 H ASP A 37 1.755 7.370 -18.956 1.00 24.31 H new ATOM 0 HA ASP A 37 1.816 10.017 -17.674 1.00 43.52 H new ATOM 0 HB2 ASP A 37 2.743 7.279 -16.717 1.00 64.30 H new ATOM 0 HB3 ASP A 37 2.757 8.749 -15.762 1.00 64.30 H new ATOM 416 N PHE A 38 4.274 10.478 -17.798 1.00 63.12 N ATOM 417 CA PHE A 38 5.655 10.850 -18.084 1.00 23.53 C ATOM 418 C PHE A 38 6.200 11.785 -17.008 1.00 62.31 C ATOM 419 O PHE A 38 5.517 12.711 -16.571 1.00 2.34 O ATOM 420 CB PHE A 38 5.752 11.520 -19.455 1.00 41.35 C ATOM 421 CG PHE A 38 5.243 10.663 -20.579 1.00 14.40 C ATOM 422 CD1 PHE A 38 6.001 9.609 -21.063 1.00 13.43 C ATOM 423 CD2 PHE A 38 4.006 10.912 -21.152 1.00 12.42 C ATOM 424 CE1 PHE A 38 5.535 8.819 -22.096 1.00 72.32 C ATOM 425 CE2 PHE A 38 3.534 10.125 -22.185 1.00 65.02 C ATOM 426 CZ PHE A 38 4.300 9.078 -22.659 1.00 24.42 C ATOM 0 H PHE A 38 3.751 11.174 -17.267 1.00 63.12 H new ATOM 0 HA PHE A 38 6.256 9.941 -18.089 1.00 23.53 H new ATOM 0 HB2 PHE A 38 5.188 12.452 -19.436 1.00 41.35 H new ATOM 0 HB3 PHE A 38 6.792 11.781 -19.650 1.00 41.35 H new ATOM 0 HD1 PHE A 38 6.968 9.403 -20.628 1.00 13.43 H new ATOM 0 HD2 PHE A 38 3.404 11.731 -20.787 1.00 12.42 H new ATOM 0 HE1 PHE A 38 6.135 8.000 -22.463 1.00 72.32 H new ATOM 0 HE2 PHE A 38 2.567 10.328 -22.621 1.00 65.02 H new ATOM 0 HZ PHE A 38 3.934 8.463 -23.468 1.00 24.42 H new ATOM 436 N CYS A 39 7.435 11.535 -16.586 1.00 20.13 N ATOM 437 CA CYS A 39 8.073 12.352 -15.561 1.00 2.20 C ATOM 438 C CYS A 39 7.965 13.835 -15.903 1.00 1.52 C ATOM 439 O CYS A 39 7.758 14.203 -17.059 1.00 45.12 O ATOM 440 CB CYS A 39 9.544 11.959 -15.408 1.00 32.32 C ATOM 441 SG CYS A 39 10.625 12.593 -16.730 1.00 12.02 S ATOM 0 H CYS A 39 8.014 10.773 -16.938 1.00 20.13 H new ATOM 0 HA CYS A 39 7.557 12.176 -14.617 1.00 2.20 H new ATOM 0 HB2 CYS A 39 9.909 12.325 -14.448 1.00 32.32 H new ATOM 0 HB3 CYS A 39 9.618 10.872 -15.383 1.00 32.32 H new ATOM 446 N SER A 40 8.107 14.683 -14.888 1.00 73.34 N ATOM 447 CA SER A 40 8.022 16.126 -15.080 1.00 74.31 C ATOM 448 C SER A 40 8.985 16.587 -16.169 1.00 63.23 C ATOM 449 O SER A 40 8.684 17.504 -16.932 1.00 4.34 O ATOM 450 CB SER A 40 8.328 16.854 -13.770 1.00 41.43 C ATOM 451 OG SER A 40 9.716 17.108 -13.640 1.00 63.24 O ATOM 0 H SER A 40 8.281 14.395 -13.925 1.00 73.34 H new ATOM 0 HA SER A 40 7.006 16.367 -15.393 1.00 74.31 H new ATOM 0 HB2 SER A 40 7.778 17.795 -13.736 1.00 41.43 H new ATOM 0 HB3 SER A 40 7.985 16.253 -12.928 1.00 41.43 H new ATOM 0 HG SER A 40 9.885 17.576 -12.796 1.00 63.24 H new ATOM 457 N ASN A 41 10.146 15.943 -16.235 1.00 71.52 N ATOM 458 CA ASN A 41 11.155 16.286 -17.230 1.00 63.03 C ATOM 459 C ASN A 41 10.628 16.053 -18.643 1.00 11.41 C ATOM 460 O ASN A 41 11.064 16.702 -19.595 1.00 14.24 O ATOM 461 CB ASN A 41 12.424 15.461 -17.005 1.00 43.45 C ATOM 462 CG ASN A 41 13.685 16.297 -17.118 1.00 14.40 C ATOM 463 OD1 ASN A 41 14.168 16.567 -18.218 1.00 13.23 O ATOM 464 ND2 ASN A 41 14.223 16.712 -15.977 1.00 64.51 N ATOM 0 H ASN A 41 10.411 15.181 -15.611 1.00 71.52 H new ATOM 0 HA ASN A 41 11.393 17.344 -17.120 1.00 63.03 H new ATOM 0 HB2 ASN A 41 12.384 15.000 -16.018 1.00 43.45 H new ATOM 0 HB3 ASN A 41 12.462 14.651 -17.734 1.00 43.45 H new ATOM 0 HD21 ASN A 41 15.071 17.279 -15.989 1.00 64.51 H new ATOM 0 HD22 ASN A 41 13.788 16.464 -15.088 1.00 64.51 H new ATOM 471 N HIS A 42 9.687 15.124 -18.772 1.00 33.43 N ATOM 472 CA HIS A 42 9.098 14.806 -20.068 1.00 22.10 C ATOM 473 C HIS A 42 7.596 15.072 -20.062 1.00 71.34 C ATOM 474 O HIS A 42 6.856 14.525 -20.881 1.00 1.13 O ATOM 475 CB HIS A 42 9.368 13.345 -20.430 1.00 43.21 C ATOM 476 CG HIS A 42 10.796 13.071 -20.789 1.00 3.22 C ATOM 477 ND1 HIS A 42 11.595 12.197 -20.083 1.00 23.14 N ATOM 478 CD2 HIS A 42 11.568 13.561 -21.787 1.00 60.23 C ATOM 479 CE1 HIS A 42 12.797 12.162 -20.630 1.00 71.22 C ATOM 480 NE2 HIS A 42 12.807 12.980 -21.667 1.00 14.22 N ATOM 0 H HIS A 42 9.316 14.578 -17.995 1.00 33.43 H new ATOM 0 HA HIS A 42 9.560 15.449 -20.817 1.00 22.10 H new ATOM 0 HB2 HIS A 42 9.086 12.713 -19.588 1.00 43.21 H new ATOM 0 HB3 HIS A 42 8.731 13.063 -21.268 1.00 43.21 H new ATOM 0 HD2 HIS A 42 11.266 14.276 -22.538 1.00 60.23 H new ATOM 0 HE1 HIS A 42 13.630 11.566 -20.287 1.00 71.22 H new ATOM 0 HE2 HIS A 42 13.605 13.152 -22.279 1.00 14.22 H new ATOM 488 N ARG A 43 7.152 15.913 -19.135 1.00 2.35 N ATOM 489 CA ARG A 43 5.738 16.249 -19.021 1.00 41.54 C ATOM 490 C ARG A 43 5.217 16.854 -20.322 1.00 61.52 C ATOM 491 O ARG A 43 4.093 16.576 -20.742 1.00 32.32 O ATOM 492 CB ARG A 43 5.515 17.228 -17.867 1.00 45.30 C ATOM 493 CG ARG A 43 6.228 18.559 -18.050 1.00 75.55 C ATOM 494 CD ARG A 43 6.398 19.287 -16.726 1.00 71.53 C ATOM 495 NE ARG A 43 5.512 20.443 -16.620 1.00 22.15 N ATOM 496 CZ ARG A 43 5.764 21.617 -17.188 1.00 25.31 C ATOM 497 NH1 ARG A 43 6.870 21.788 -17.900 1.00 11.54 N ATOM 498 NH2 ARG A 43 4.910 22.622 -17.045 1.00 72.42 N ATOM 0 H ARG A 43 7.751 16.375 -18.451 1.00 2.35 H new ATOM 0 HA ARG A 43 5.187 15.330 -18.820 1.00 41.54 H new ATOM 0 HB2 ARG A 43 4.446 17.410 -17.758 1.00 45.30 H new ATOM 0 HB3 ARG A 43 5.856 16.767 -16.940 1.00 45.30 H new ATOM 0 HG2 ARG A 43 7.206 18.390 -18.502 1.00 75.55 H new ATOM 0 HG3 ARG A 43 5.662 19.184 -18.740 1.00 75.55 H new ATOM 0 HD2 ARG A 43 6.196 18.599 -15.905 1.00 71.53 H new ATOM 0 HD3 ARG A 43 7.433 19.613 -16.621 1.00 71.53 H new ATOM 0 HE ARG A 43 4.652 20.343 -16.080 1.00 22.15 H new ATOM 0 HH11 ARG A 43 7.529 21.017 -18.012 1.00 11.54 H new ATOM 0 HH12 ARG A 43 7.062 22.690 -18.335 1.00 11.54 H new ATOM 0 HH21 ARG A 43 4.058 22.494 -16.498 1.00 72.42 H new ATOM 0 HH22 ARG A 43 5.105 23.523 -17.482 1.00 72.42 H new ATOM 512 N LEU A 44 6.041 17.681 -20.956 1.00 30.03 N ATOM 513 CA LEU A 44 5.664 18.325 -22.209 1.00 12.30 C ATOM 514 C LEU A 44 5.224 17.292 -23.242 1.00 1.35 C ATOM 515 O LEU A 44 5.424 16.091 -23.059 1.00 4.32 O ATOM 516 CB LEU A 44 6.834 19.144 -22.757 1.00 10.35 C ATOM 517 CG LEU A 44 7.538 20.061 -21.756 1.00 0.24 C ATOM 518 CD1 LEU A 44 8.670 20.819 -22.431 1.00 41.40 C ATOM 519 CD2 LEU A 44 6.545 21.029 -21.129 1.00 31.12 C ATOM 0 H LEU A 44 6.975 17.921 -20.623 1.00 30.03 H new ATOM 0 HA LEU A 44 4.825 18.991 -22.008 1.00 12.30 H new ATOM 0 HB2 LEU A 44 7.572 18.456 -23.170 1.00 10.35 H new ATOM 0 HB3 LEU A 44 6.469 19.754 -23.584 1.00 10.35 H new ATOM 0 HG LEU A 44 7.963 19.444 -20.964 1.00 0.24 H new ATOM 0 HD11 LEU A 44 9.159 21.466 -21.703 1.00 41.40 H new ATOM 0 HD12 LEU A 44 9.395 20.110 -22.831 1.00 41.40 H new ATOM 0 HD13 LEU A 44 8.269 21.425 -23.243 1.00 41.40 H new ATOM 0 HD21 LEU A 44 7.064 21.674 -20.419 1.00 31.12 H new ATOM 0 HD22 LEU A 44 6.090 21.640 -21.909 1.00 31.12 H new ATOM 0 HD23 LEU A 44 5.769 20.468 -20.609 1.00 31.12 H new ATOM 531 N LYS A 45 4.625 17.768 -24.328 1.00 63.53 N ATOM 532 CA LYS A 45 4.160 16.887 -25.393 1.00 72.20 C ATOM 533 C LYS A 45 5.330 16.378 -26.229 1.00 21.35 C ATOM 534 O LYS A 45 5.585 15.175 -26.287 1.00 3.41 O ATOM 535 CB LYS A 45 3.160 17.621 -26.290 1.00 24.12 C ATOM 536 CG LYS A 45 1.741 17.092 -26.179 1.00 11.15 C ATOM 537 CD LYS A 45 1.149 16.793 -27.545 1.00 75.24 C ATOM 538 CE LYS A 45 0.759 18.069 -28.275 1.00 73.15 C ATOM 539 NZ LYS A 45 -0.229 18.871 -27.502 1.00 31.13 N ATOM 0 H LYS A 45 4.450 18.759 -24.494 1.00 63.53 H new ATOM 0 HA LYS A 45 3.666 16.031 -24.932 1.00 72.20 H new ATOM 0 HB2 LYS A 45 3.165 18.681 -26.034 1.00 24.12 H new ATOM 0 HB3 LYS A 45 3.488 17.542 -27.326 1.00 24.12 H new ATOM 0 HG2 LYS A 45 1.736 16.186 -25.573 1.00 11.15 H new ATOM 0 HG3 LYS A 45 1.118 17.823 -25.664 1.00 11.15 H new ATOM 0 HD2 LYS A 45 1.872 16.237 -28.142 1.00 75.24 H new ATOM 0 HD3 LYS A 45 0.272 16.155 -27.431 1.00 75.24 H new ATOM 0 HE2 LYS A 45 1.650 18.669 -28.458 1.00 73.15 H new ATOM 0 HE3 LYS A 45 0.339 17.816 -29.249 1.00 73.15 H new ATOM 0 HZ1 LYS A 45 -1.138 18.882 -28.007 1.00 31.13 H new ATOM 0 HZ2 LYS A 45 -0.360 18.447 -26.561 1.00 31.13 H new ATOM 0 HZ3 LYS A 45 0.121 19.845 -27.397 1.00 31.13 H new ATOM 553 N GLU A 46 6.038 17.301 -26.872 1.00 31.20 N ATOM 554 CA GLU A 46 7.181 16.944 -27.703 1.00 64.43 C ATOM 555 C GLU A 46 8.192 16.117 -26.913 1.00 13.12 C ATOM 556 O GLU A 46 8.938 15.320 -27.481 1.00 73.53 O ATOM 557 CB GLU A 46 7.855 18.203 -28.252 1.00 54.40 C ATOM 558 CG GLU A 46 7.890 18.263 -29.770 1.00 32.31 C ATOM 559 CD GLU A 46 9.260 18.626 -30.308 1.00 22.11 C ATOM 560 OE1 GLU A 46 9.415 19.751 -30.827 1.00 63.34 O ATOM 561 OE2 GLU A 46 10.178 17.784 -30.209 1.00 12.41 O ATOM 0 H GLU A 46 5.840 18.301 -26.833 1.00 31.20 H new ATOM 0 HA GLU A 46 6.817 16.343 -28.536 1.00 64.43 H new ATOM 0 HB2 GLU A 46 7.330 19.080 -27.874 1.00 54.40 H new ATOM 0 HB3 GLU A 46 8.875 18.254 -27.871 1.00 54.40 H new ATOM 0 HG2 GLU A 46 7.589 17.297 -30.175 1.00 32.31 H new ATOM 0 HG3 GLU A 46 7.161 18.995 -30.118 1.00 32.31 H new ATOM 568 N ASP A 47 8.210 16.314 -25.599 1.00 53.33 N ATOM 569 CA ASP A 47 9.127 15.588 -24.730 1.00 24.45 C ATOM 570 C ASP A 47 9.067 14.089 -25.007 1.00 31.30 C ATOM 571 O ASP A 47 10.091 13.450 -25.252 1.00 1.25 O ATOM 572 CB ASP A 47 8.797 15.861 -23.261 1.00 74.25 C ATOM 573 CG ASP A 47 9.567 17.042 -22.704 1.00 62.44 C ATOM 574 OD1 ASP A 47 10.614 17.395 -23.287 1.00 74.30 O ATOM 575 OD2 ASP A 47 9.124 17.612 -21.685 1.00 44.13 O ATOM 0 H ASP A 47 7.599 16.971 -25.113 1.00 53.33 H new ATOM 0 HA ASP A 47 10.138 15.938 -24.938 1.00 24.45 H new ATOM 0 HB2 ASP A 47 7.728 16.048 -23.161 1.00 74.25 H new ATOM 0 HB3 ASP A 47 9.022 14.973 -22.670 1.00 74.25 H new ATOM 580 N HIS A 48 7.860 13.533 -24.966 1.00 62.43 N ATOM 581 CA HIS A 48 7.666 12.108 -25.213 1.00 2.21 C ATOM 582 C HIS A 48 7.239 11.860 -26.656 1.00 62.05 C ATOM 583 O HIS A 48 6.690 10.806 -26.980 1.00 10.22 O ATOM 584 CB HIS A 48 6.619 11.541 -24.254 1.00 53.23 C ATOM 585 CG HIS A 48 5.274 12.188 -24.386 1.00 21.32 C ATOM 586 ND1 HIS A 48 4.900 13.301 -23.663 1.00 22.33 N ATOM 587 CD2 HIS A 48 4.213 11.873 -25.164 1.00 75.41 C ATOM 588 CE1 HIS A 48 3.666 13.641 -23.989 1.00 43.23 C ATOM 589 NE2 HIS A 48 3.226 12.791 -24.899 1.00 23.40 N ATOM 0 H HIS A 48 7.002 14.047 -24.764 1.00 62.43 H new ATOM 0 HA HIS A 48 8.616 11.602 -25.042 1.00 2.21 H new ATOM 0 HB2 HIS A 48 6.517 10.470 -24.432 1.00 53.23 H new ATOM 0 HB3 HIS A 48 6.973 11.662 -23.230 1.00 53.23 H new ATOM 0 HD1 HIS A 48 5.485 13.786 -22.983 1.00 22.33 H new ATOM 0 HD2 HIS A 48 4.153 11.052 -25.863 1.00 75.41 H new ATOM 0 HE1 HIS A 48 3.111 14.473 -23.581 1.00 43.23 H new ATOM 597 N HIS A 49 7.494 12.837 -27.520 1.00 45.45 N ATOM 598 CA HIS A 49 7.136 12.725 -28.930 1.00 22.31 C ATOM 599 C HIS A 49 5.709 12.208 -29.088 1.00 65.12 C ATOM 600 O HIS A 49 5.484 11.141 -29.661 1.00 3.15 O ATOM 601 CB HIS A 49 8.111 11.795 -29.653 1.00 20.21 C ATOM 602 CG HIS A 49 9.419 12.442 -29.988 1.00 43.22 C ATOM 603 ND1 HIS A 49 9.525 13.750 -30.413 1.00 20.20 N ATOM 604 CD2 HIS A 49 10.682 11.955 -29.958 1.00 32.13 C ATOM 605 CE1 HIS A 49 10.796 14.038 -30.631 1.00 14.31 C ATOM 606 NE2 HIS A 49 11.518 12.966 -30.362 1.00 5.14 N ATOM 0 H HIS A 49 7.947 13.716 -27.269 1.00 45.45 H new ATOM 0 HA HIS A 49 7.196 13.718 -29.375 1.00 22.31 H new ATOM 0 HB2 HIS A 49 8.297 10.921 -29.029 1.00 20.21 H new ATOM 0 HB3 HIS A 49 7.646 11.438 -30.572 1.00 20.21 H new ATOM 0 HD2 HIS A 49 10.977 10.957 -29.670 1.00 32.13 H new ATOM 0 HE1 HIS A 49 11.179 14.989 -30.971 1.00 14.31 H new ATOM 0 HE2 HIS A 49 12.533 12.900 -30.441 1.00 5.14 H new ATOM 614 N CYS A 50 4.749 12.971 -28.577 1.00 31.41 N ATOM 615 CA CYS A 50 3.344 12.590 -28.660 1.00 1.11 C ATOM 616 C CYS A 50 2.962 12.230 -30.093 1.00 13.23 C ATOM 617 O CYS A 50 3.349 12.914 -31.040 1.00 2.50 O ATOM 618 CB CYS A 50 2.455 13.728 -28.154 1.00 22.24 C ATOM 619 SG CYS A 50 0.856 13.177 -27.478 1.00 13.24 S ATOM 0 H CYS A 50 4.918 13.857 -28.101 1.00 31.41 H new ATOM 0 HA CYS A 50 3.193 11.713 -28.031 1.00 1.11 H new ATOM 0 HB2 CYS A 50 2.993 14.280 -27.383 1.00 22.24 H new ATOM 0 HB3 CYS A 50 2.271 14.423 -28.973 1.00 22.24 H new ATOM 624 N ARG A 51 2.199 11.152 -30.243 1.00 0.23 N ATOM 625 CA ARG A 51 1.765 10.701 -31.559 1.00 72.31 C ATOM 626 C ARG A 51 1.101 11.836 -32.332 1.00 15.53 C ATOM 627 O ARG A 51 1.288 11.971 -33.541 1.00 22.41 O ATOM 628 CB ARG A 51 0.795 9.525 -31.424 1.00 53.54 C ATOM 629 CG ARG A 51 -0.463 9.861 -30.640 1.00 31.12 C ATOM 630 CD ARG A 51 -1.011 8.640 -29.917 1.00 2.42 C ATOM 631 NE ARG A 51 -1.373 7.572 -30.844 1.00 74.10 N ATOM 632 CZ ARG A 51 -2.414 7.635 -31.667 1.00 33.21 C ATOM 633 NH1 ARG A 51 -3.191 8.709 -31.678 1.00 11.23 N ATOM 634 NH2 ARG A 51 -2.680 6.622 -32.481 1.00 62.55 N ATOM 0 H ARG A 51 1.869 10.575 -29.469 1.00 0.23 H new ATOM 0 HA ARG A 51 2.646 10.375 -32.112 1.00 72.31 H new ATOM 0 HB2 ARG A 51 0.512 9.182 -32.419 1.00 53.54 H new ATOM 0 HB3 ARG A 51 1.307 8.696 -30.935 1.00 53.54 H new ATOM 0 HG2 ARG A 51 -0.243 10.646 -29.916 1.00 31.12 H new ATOM 0 HG3 ARG A 51 -1.221 10.255 -31.317 1.00 31.12 H new ATOM 0 HD2 ARG A 51 -0.266 8.271 -29.212 1.00 2.42 H new ATOM 0 HD3 ARG A 51 -1.886 8.926 -29.334 1.00 2.42 H new ATOM 0 HE ARG A 51 -0.795 6.732 -30.861 1.00 74.10 H new ATOM 0 HH11 ARG A 51 -2.990 9.490 -31.053 1.00 11.23 H new ATOM 0 HH12 ARG A 51 -3.989 8.754 -32.311 1.00 11.23 H new ATOM 0 HH21 ARG A 51 -2.085 5.794 -32.475 1.00 62.55 H new ATOM 0 HH22 ARG A 51 -3.480 6.672 -33.112 1.00 62.55 H new ATOM 648 N TRP A 52 0.324 12.650 -31.626 1.00 0.14 N ATOM 649 CA TRP A 52 -0.369 13.774 -32.245 1.00 43.13 C ATOM 650 C TRP A 52 0.618 14.702 -32.946 1.00 14.23 C ATOM 651 O TRP A 52 0.359 15.178 -34.052 1.00 1.31 O ATOM 652 CB TRP A 52 -1.163 14.552 -31.195 1.00 4.41 C ATOM 653 CG TRP A 52 -2.166 15.495 -31.787 1.00 12.11 C ATOM 654 CD1 TRP A 52 -3.495 15.256 -31.990 1.00 72.54 C ATOM 655 CD2 TRP A 52 -1.920 16.826 -32.253 1.00 54.24 C ATOM 656 NE1 TRP A 52 -4.090 16.358 -32.555 1.00 74.45 N ATOM 657 CE2 TRP A 52 -3.146 17.335 -32.726 1.00 60.00 C ATOM 658 CE3 TRP A 52 -0.785 17.639 -32.316 1.00 31.40 C ATOM 659 CZ2 TRP A 52 -3.265 18.618 -33.254 1.00 70.32 C ATOM 660 CZ3 TRP A 52 -0.905 18.911 -32.841 1.00 2.33 C ATOM 661 CH2 TRP A 52 -2.137 19.391 -33.303 1.00 53.25 C ATOM 0 H TRP A 52 0.158 12.552 -30.624 1.00 0.14 H new ATOM 0 HA TRP A 52 -1.059 13.378 -32.990 1.00 43.13 H new ATOM 0 HB2 TRP A 52 -1.679 13.846 -30.544 1.00 4.41 H new ATOM 0 HB3 TRP A 52 -0.470 15.115 -30.570 1.00 4.41 H new ATOM 0 HD1 TRP A 52 -4.004 14.336 -31.743 1.00 72.54 H new ATOM 0 HE1 TRP A 52 -5.075 16.436 -32.806 1.00 74.45 H new ATOM 0 HE3 TRP A 52 0.169 17.279 -31.960 1.00 31.40 H new ATOM 0 HZ2 TRP A 52 -4.214 18.990 -33.612 1.00 70.32 H new ATOM 0 HZ3 TRP A 52 -0.034 19.547 -32.896 1.00 2.33 H new ATOM 0 HH2 TRP A 52 -2.198 20.391 -33.706 1.00 53.25 H new ATOM 672 N LEU A 53 1.748 14.956 -32.296 1.00 22.30 N ATOM 673 CA LEU A 53 2.774 15.827 -32.857 1.00 43.54 C ATOM 674 C LEU A 53 3.346 15.238 -34.143 1.00 11.11 C ATOM 675 O LEU A 53 3.668 15.966 -35.083 1.00 1.12 O ATOM 676 CB LEU A 53 3.896 16.048 -31.841 1.00 61.21 C ATOM 677 CG LEU A 53 3.947 17.429 -31.187 1.00 21.25 C ATOM 678 CD1 LEU A 53 4.817 17.397 -29.939 1.00 74.42 C ATOM 679 CD2 LEU A 53 4.463 18.467 -32.172 1.00 1.31 C ATOM 0 H LEU A 53 1.977 14.571 -31.380 1.00 22.30 H new ATOM 0 HA LEU A 53 2.312 16.786 -33.092 1.00 43.54 H new ATOM 0 HB2 LEU A 53 3.800 15.299 -31.055 1.00 61.21 H new ATOM 0 HB3 LEU A 53 4.849 15.868 -32.338 1.00 61.21 H new ATOM 0 HG LEU A 53 2.935 17.708 -30.893 1.00 21.25 H new ATOM 0 HD11 LEU A 53 4.842 18.389 -29.487 1.00 74.42 H new ATOM 0 HD12 LEU A 53 4.404 16.683 -29.226 1.00 74.42 H new ATOM 0 HD13 LEU A 53 5.829 17.096 -30.209 1.00 74.42 H new ATOM 0 HD21 LEU A 53 4.492 19.444 -31.689 1.00 1.31 H new ATOM 0 HD22 LEU A 53 5.466 18.193 -32.497 1.00 1.31 H new ATOM 0 HD23 LEU A 53 3.800 18.509 -33.036 1.00 1.31 H new ATOM 691 N LEU A 54 3.467 13.916 -34.178 1.00 61.34 N ATOM 692 CA LEU A 54 3.998 13.227 -35.350 1.00 53.20 C ATOM 693 C LEU A 54 3.004 13.276 -36.507 1.00 23.05 C ATOM 694 O LEU A 54 3.337 13.722 -37.604 1.00 62.30 O ATOM 695 CB LEU A 54 4.327 11.773 -35.006 1.00 54.42 C ATOM 696 CG LEU A 54 4.916 11.529 -33.617 1.00 12.15 C ATOM 697 CD1 LEU A 54 5.255 10.058 -33.431 1.00 53.24 C ATOM 698 CD2 LEU A 54 6.149 12.394 -33.401 1.00 23.23 C ATOM 0 H LEU A 54 3.205 13.299 -33.409 1.00 61.34 H new ATOM 0 HA LEU A 54 4.911 13.736 -35.658 1.00 53.20 H new ATOM 0 HB2 LEU A 54 3.415 11.183 -35.101 1.00 54.42 H new ATOM 0 HB3 LEU A 54 5.030 11.395 -35.748 1.00 54.42 H new ATOM 0 HG LEU A 54 4.168 11.805 -32.873 1.00 12.15 H new ATOM 0 HD11 LEU A 54 5.673 9.904 -32.436 1.00 53.24 H new ATOM 0 HD12 LEU A 54 4.351 9.459 -33.541 1.00 53.24 H new ATOM 0 HD13 LEU A 54 5.984 9.755 -34.182 1.00 53.24 H new ATOM 0 HD21 LEU A 54 6.555 12.207 -32.407 1.00 23.23 H new ATOM 0 HD22 LEU A 54 6.901 12.150 -34.152 1.00 23.23 H new ATOM 0 HD23 LEU A 54 5.876 13.445 -33.490 1.00 23.23 H new ATOM 710 N GLU A 55 1.783 12.816 -36.251 1.00 43.40 N ATOM 711 CA GLU A 55 0.742 12.809 -37.271 1.00 55.43 C ATOM 712 C GLU A 55 0.423 14.228 -37.733 1.00 40.53 C ATOM 713 O GLU A 55 0.142 14.462 -38.909 1.00 52.13 O ATOM 714 CB GLU A 55 -0.525 12.140 -36.734 1.00 31.11 C ATOM 715 CG GLU A 55 -1.147 12.871 -35.556 1.00 54.44 C ATOM 716 CD GLU A 55 -2.160 12.023 -34.812 1.00 52.20 C ATOM 717 OE1 GLU A 55 -3.049 12.601 -34.152 1.00 45.40 O ATOM 718 OE2 GLU A 55 -2.064 10.780 -34.890 1.00 51.42 O ATOM 0 H GLU A 55 1.491 12.444 -35.347 1.00 43.40 H new ATOM 0 HA GLU A 55 1.111 12.241 -38.125 1.00 55.43 H new ATOM 0 HB2 GLU A 55 -1.259 12.073 -37.537 1.00 31.11 H new ATOM 0 HB3 GLU A 55 -0.287 11.120 -36.433 1.00 31.11 H new ATOM 0 HG2 GLU A 55 -0.360 13.178 -34.867 1.00 54.44 H new ATOM 0 HG3 GLU A 55 -1.631 13.780 -35.912 1.00 54.44 H new ATOM 725 N HIS A 56 0.469 15.173 -36.799 1.00 54.01 N ATOM 726 CA HIS A 56 0.185 16.570 -37.110 1.00 21.34 C ATOM 727 C HIS A 56 1.319 17.473 -36.635 1.00 23.14 C ATOM 728 O HIS A 56 1.298 17.971 -35.510 1.00 23.35 O ATOM 729 CB HIS A 56 -1.131 17.001 -36.462 1.00 51.01 C ATOM 730 CG HIS A 56 -2.288 17.021 -37.413 1.00 51.30 C ATOM 731 ND1 HIS A 56 -2.798 18.183 -37.953 1.00 15.14 N ATOM 732 CD2 HIS A 56 -3.034 16.013 -37.922 1.00 23.32 C ATOM 733 CE1 HIS A 56 -3.809 17.888 -38.751 1.00 11.43 C ATOM 734 NE2 HIS A 56 -3.972 16.578 -38.750 1.00 31.30 N ATOM 0 H HIS A 56 0.700 14.997 -35.821 1.00 54.01 H new ATOM 0 HA HIS A 56 0.097 16.665 -38.192 1.00 21.34 H new ATOM 0 HB2 HIS A 56 -1.360 16.325 -35.638 1.00 51.01 H new ATOM 0 HB3 HIS A 56 -1.007 17.995 -36.033 1.00 51.01 H new ATOM 0 HD2 HIS A 56 -2.914 14.960 -37.715 1.00 23.32 H new ATOM 0 HE1 HIS A 56 -4.401 18.598 -39.309 1.00 11.43 H new ATOM 0 HE2 HIS A 56 -4.680 16.068 -39.279 1.00 31.30 H new ATOM 742 N GLU A 57 2.308 17.679 -37.500 1.00 35.43 N ATOM 743 CA GLU A 57 3.451 18.521 -37.167 1.00 34.53 C ATOM 744 C GLU A 57 3.375 19.856 -37.901 1.00 51.01 C ATOM 745 O GLU A 57 3.684 19.941 -39.089 1.00 61.51 O ATOM 746 CB GLU A 57 4.758 17.806 -37.517 1.00 54.54 C ATOM 747 CG GLU A 57 4.790 17.258 -38.934 1.00 45.32 C ATOM 748 CD GLU A 57 5.972 17.774 -39.732 1.00 43.30 C ATOM 749 OE1 GLU A 57 5.762 18.238 -40.872 1.00 62.54 O ATOM 750 OE2 GLU A 57 7.108 17.715 -39.215 1.00 74.20 O ATOM 0 H GLU A 57 2.340 17.274 -38.436 1.00 35.43 H new ATOM 0 HA GLU A 57 3.428 18.715 -36.095 1.00 34.53 H new ATOM 0 HB2 GLU A 57 5.588 18.500 -37.386 1.00 54.54 H new ATOM 0 HB3 GLU A 57 4.913 16.986 -36.816 1.00 54.54 H new ATOM 0 HG2 GLU A 57 4.828 16.169 -38.898 1.00 45.32 H new ATOM 0 HG3 GLU A 57 3.866 17.528 -39.445 1.00 45.32 H new ATOM 757 N GLU A 58 2.961 20.896 -37.184 1.00 51.33 N ATOM 758 CA GLU A 58 2.843 22.227 -37.768 1.00 42.24 C ATOM 759 C GLU A 58 4.178 22.965 -37.714 1.00 13.45 C ATOM 760 O GLU A 58 5.070 22.601 -36.948 1.00 44.30 O ATOM 761 CB GLU A 58 1.770 23.036 -37.037 1.00 51.30 C ATOM 762 CG GLU A 58 2.147 23.399 -35.611 1.00 24.35 C ATOM 763 CD GLU A 58 1.003 24.038 -34.849 1.00 11.52 C ATOM 764 OE1 GLU A 58 0.989 25.281 -34.731 1.00 4.41 O ATOM 765 OE2 GLU A 58 0.120 23.295 -34.371 1.00 4.12 O ATOM 0 H GLU A 58 2.702 20.843 -36.199 1.00 51.33 H new ATOM 0 HA GLU A 58 2.553 22.113 -38.812 1.00 42.24 H new ATOM 0 HB2 GLU A 58 1.573 23.951 -37.596 1.00 51.30 H new ATOM 0 HB3 GLU A 58 0.842 22.464 -37.024 1.00 51.30 H new ATOM 0 HG2 GLU A 58 2.472 22.501 -35.085 1.00 24.35 H new ATOM 0 HG3 GLU A 58 2.995 24.083 -35.627 1.00 24.35 H new ATOM 772 N VAL A 59 4.306 24.005 -38.532 1.00 23.01 N ATOM 773 CA VAL A 59 5.531 24.795 -38.577 1.00 54.42 C ATOM 774 C VAL A 59 5.288 26.213 -38.071 1.00 45.03 C ATOM 775 O VAL A 59 4.134 26.617 -37.940 1.00 21.11 O ATOM 776 CB VAL A 59 6.103 24.863 -40.006 1.00 33.44 C ATOM 777 CG1 VAL A 59 7.409 25.642 -40.022 1.00 13.32 C ATOM 778 CG2 VAL A 59 6.301 23.462 -40.566 1.00 42.40 C ATOM 0 H VAL A 59 3.577 24.320 -39.172 1.00 23.01 H new ATOM 0 HA VAL A 59 6.253 24.298 -37.928 1.00 54.42 H new ATOM 0 HB VAL A 59 5.388 25.387 -40.641 1.00 33.44 H new ATOM 0 HG11 VAL A 59 7.798 25.679 -41.040 1.00 13.32 H new ATOM 0 HG12 VAL A 59 7.232 26.656 -39.664 1.00 13.32 H new ATOM 0 HG13 VAL A 59 8.134 25.150 -39.374 1.00 13.32 H new ATOM 0 HG21 VAL A 59 6.706 23.528 -41.576 1.00 42.40 H new ATOM 0 HG22 VAL A 59 6.996 22.912 -39.932 1.00 42.40 H new ATOM 0 HG23 VAL A 59 5.343 22.942 -40.592 1.00 42.40 H new TER 788 VAL A 59 HETATM 789 ZN ZN A 101 11.219 11.017 -18.295 1.00 71.45 ZN HETATM 790 ZN ZN A 102 1.098 12.645 -25.283 1.00 34.41 ZN