USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 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 41 ASN : amide:sc= -2.97! C(o=-5.3!,f=-20!) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -174:sc= -2.32! (180deg=-3.39!) USER MOD Set 2.1: A 8 TYR OH : rot -61:sc= 0.605 USER MOD Set 2.2: A 42 ASN : amide:sc= -6.52! C(o=-5.9!,f=-3.7!) USER MOD Set 3.1: A 29 GLN : amide:sc= 0.284 K(o=0.58,f=-1.3) USER MOD Set 3.2: A 30 THR OG1 : rot -66:sc= 0.297 USER MOD Single : A 1 ASP N :NH3+ 173:sc= -6.54! (180deg=-6.95!) USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.0906 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 165:sc= -0.217 USER MOD Single : A 22 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -110:sc= -4.96! (180deg=-5.8!) USER MOD Single : A 33 TYR OH : rot -172:sc= 0.0888 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 82:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.655 7.892 3.611 1.00 0.00 N ATOM 2 CA ASP A 1 -2.551 6.939 3.869 1.00 0.00 C ATOM 3 C ASP A 1 -3.055 5.524 3.813 1.00 0.00 C ATOM 4 O ASP A 1 -2.379 4.625 3.303 1.00 0.00 O ATOM 5 CB ASP A 1 -1.925 7.233 5.240 1.00 0.00 C ATOM 6 CG ASP A 1 -1.138 8.531 5.267 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.745 9.600 5.049 1.00 0.00 O ATOM 8 OD2 ASP A 1 0.087 8.477 5.504 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.319 8.863 3.769 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.976 7.793 2.627 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.446 7.690 4.255 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.790 7.059 3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.713 7.277 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.267 6.410 5.517 1.00 0.00 H new ATOM 15 N PHE A 2 -4.236 5.339 4.374 1.00 0.00 N ATOM 16 CA PHE A 2 -4.861 4.059 4.447 1.00 0.00 C ATOM 17 C PHE A 2 -6.270 4.080 3.900 1.00 0.00 C ATOM 18 O PHE A 2 -6.765 3.060 3.418 1.00 0.00 O ATOM 19 CB PHE A 2 -4.883 3.644 5.894 1.00 0.00 C ATOM 20 CG PHE A 2 -3.571 3.224 6.461 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.557 4.139 6.688 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.366 1.900 6.773 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.353 3.731 7.219 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.178 1.478 7.300 1.00 0.00 C ATOM 25 CZ PHE A 2 -1.162 2.394 7.529 1.00 0.00 C ATOM 0 H PHE A 2 -4.783 6.091 4.793 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.296 3.353 3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.266 4.475 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.588 2.821 6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.711 5.180 6.447 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.155 1.184 6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.564 4.448 7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.031 0.435 7.537 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.223 2.065 7.949 1.00 0.00 H new ATOM 35 N CYS A 3 -6.921 5.233 4.015 1.00 0.00 N ATOM 36 CA CYS A 3 -8.294 5.376 3.578 1.00 0.00 C ATOM 37 C CYS A 3 -8.489 6.438 2.485 1.00 0.00 C ATOM 38 O CYS A 3 -9.454 6.345 1.724 1.00 0.00 O ATOM 39 CB CYS A 3 -9.152 5.726 4.787 1.00 0.00 C ATOM 40 SG CYS A 3 -9.134 4.507 6.153 1.00 0.00 S ATOM 0 H CYS A 3 -6.513 6.081 4.409 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.592 4.426 3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.821 6.688 5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.182 5.855 4.454 1.00 0.00 H new ATOM 45 N LEU A 4 -7.612 7.464 2.403 1.00 0.00 N ATOM 46 CA LEU A 4 -7.781 8.519 1.388 1.00 0.00 C ATOM 47 C LEU A 4 -6.491 9.268 1.089 1.00 0.00 C ATOM 48 O LEU A 4 -6.114 9.441 -0.073 1.00 0.00 O ATOM 49 CB LEU A 4 -8.854 9.534 1.819 1.00 0.00 C ATOM 50 CG LEU A 4 -8.871 9.867 3.312 1.00 0.00 C ATOM 51 CD1 LEU A 4 -9.040 11.362 3.533 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.999 9.098 3.980 1.00 0.00 C ATOM 0 H LEU A 4 -6.802 7.580 3.012 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.093 8.005 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.705 10.457 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.833 9.145 1.538 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.919 9.574 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.049 11.573 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.212 11.895 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.980 11.691 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.017 9.330 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.950 9.383 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.840 8.028 3.845 1.00 0.00 H new ATOM 64 N GLU A 5 -5.851 9.731 2.160 1.00 0.00 N ATOM 65 CA GLU A 5 -4.612 10.504 2.109 1.00 0.00 C ATOM 66 C GLU A 5 -3.528 9.844 1.222 1.00 0.00 C ATOM 67 O GLU A 5 -3.590 8.639 0.979 1.00 0.00 O ATOM 68 CB GLU A 5 -4.128 10.696 3.537 1.00 0.00 C ATOM 69 CG GLU A 5 -4.794 11.857 4.263 1.00 0.00 C ATOM 70 CD GLU A 5 -4.294 12.026 5.686 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.490 11.101 6.503 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.704 13.087 5.984 1.00 0.00 O ATOM 0 H GLU A 5 -6.187 9.576 3.110 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.811 11.469 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.308 9.779 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.050 10.857 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.614 12.778 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.872 11.699 4.278 1.00 0.00 H new ATOM 79 N PRO A 6 -2.547 10.644 0.690 1.00 0.00 N ATOM 80 CA PRO A 6 -1.474 10.169 -0.219 1.00 0.00 C ATOM 81 C PRO A 6 -0.787 8.826 0.158 1.00 0.00 C ATOM 82 O PRO A 6 0.123 8.800 0.997 1.00 0.00 O ATOM 83 CB PRO A 6 -0.445 11.317 -0.210 1.00 0.00 C ATOM 84 CG PRO A 6 -0.946 12.316 0.777 1.00 0.00 C ATOM 85 CD PRO A 6 -2.423 12.101 0.880 1.00 0.00 C ATOM 0 HA PRO A 6 -1.911 9.942 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.543 10.952 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.350 11.762 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.465 12.180 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.723 13.331 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.813 12.419 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.968 12.658 0.118 1.00 0.00 H new ATOM 93 N PRO A 7 -1.213 7.684 -0.490 1.00 0.00 N ATOM 94 CA PRO A 7 -0.633 6.330 -0.266 1.00 0.00 C ATOM 95 C PRO A 7 0.907 6.330 -0.300 1.00 0.00 C ATOM 96 O PRO A 7 1.509 7.090 -1.063 1.00 0.00 O ATOM 97 CB PRO A 7 -1.199 5.519 -1.439 1.00 0.00 C ATOM 98 CG PRO A 7 -2.481 6.175 -1.770 1.00 0.00 C ATOM 99 CD PRO A 7 -2.298 7.636 -1.498 1.00 0.00 C ATOM 0 HA PRO A 7 -0.886 5.931 0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.519 5.528 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.349 4.475 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.745 6.006 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.292 5.767 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.025 8.179 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.214 8.089 -1.119 1.00 0.00 H new ATOM 107 N TYR A 8 1.532 5.503 0.560 1.00 0.00 N ATOM 108 CA TYR A 8 2.996 5.424 0.673 1.00 0.00 C ATOM 109 C TYR A 8 3.670 4.827 -0.584 1.00 0.00 C ATOM 110 O TYR A 8 3.371 3.697 -0.980 1.00 0.00 O ATOM 111 CB TYR A 8 3.361 4.603 1.929 1.00 0.00 C ATOM 112 CG TYR A 8 3.071 3.121 1.816 1.00 0.00 C ATOM 113 CD1 TYR A 8 1.766 2.639 1.804 1.00 0.00 C ATOM 114 CD2 TYR A 8 4.108 2.211 1.700 1.00 0.00 C ATOM 115 CE1 TYR A 8 1.512 1.291 1.684 1.00 0.00 C ATOM 116 CE2 TYR A 8 3.857 0.864 1.575 1.00 0.00 C ATOM 117 CZ TYR A 8 2.557 0.409 1.566 1.00 0.00 C ATOM 118 OH TYR A 8 2.300 -0.935 1.430 1.00 0.00 O ATOM 0 H TYR A 8 1.036 4.875 1.192 1.00 0.00 H new ATOM 0 HA TYR A 8 3.377 6.441 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.422 4.738 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.813 5.004 2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.941 3.331 1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.129 2.564 1.708 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.494 0.929 1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.676 0.166 1.484 1.00 0.00 H new ATOM 0 HH TYR A 8 1.823 -1.259 2.223 1.00 0.00 H new ATOM 128 N THR A 9 4.593 5.603 -1.183 1.00 0.00 N ATOM 129 CA THR A 9 5.353 5.191 -2.382 1.00 0.00 C ATOM 130 C THR A 9 6.617 6.051 -2.521 1.00 0.00 C ATOM 131 O THR A 9 6.607 7.086 -3.203 1.00 0.00 O ATOM 132 CB THR A 9 4.507 5.306 -3.674 1.00 0.00 C ATOM 133 OG1 THR A 9 3.790 6.527 -3.701 1.00 0.00 O ATOM 134 CG2 THR A 9 3.515 4.178 -3.875 1.00 0.00 C ATOM 0 H THR A 9 4.834 6.536 -0.849 1.00 0.00 H new ATOM 0 HA THR A 9 5.625 4.144 -2.252 1.00 0.00 H new ATOM 0 HB THR A 9 5.235 5.254 -4.483 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.409 7.273 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.965 4.338 -4.803 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.049 3.229 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.816 4.155 -3.039 1.00 0.00 H new ATOM 142 N GLY A 10 7.702 5.629 -1.861 1.00 0.00 N ATOM 143 CA GLY A 10 8.952 6.381 -1.923 1.00 0.00 C ATOM 144 C GLY A 10 10.096 5.758 -1.120 1.00 0.00 C ATOM 145 O GLY A 10 11.116 5.397 -1.711 1.00 0.00 O ATOM 0 H GLY A 10 7.737 4.786 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.259 6.469 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.774 7.392 -1.557 1.00 0.00 H new ATOM 149 N PRO A 11 9.980 5.637 0.242 1.00 0.00 N ATOM 150 CA PRO A 11 11.052 5.070 1.104 1.00 0.00 C ATOM 151 C PRO A 11 11.264 3.551 0.944 1.00 0.00 C ATOM 152 O PRO A 11 11.743 2.885 1.869 1.00 0.00 O ATOM 153 CB PRO A 11 10.567 5.386 2.535 1.00 0.00 C ATOM 154 CG PRO A 11 9.464 6.376 2.378 1.00 0.00 C ATOM 155 CD PRO A 11 8.826 6.062 1.061 1.00 0.00 C ATOM 0 HA PRO A 11 12.018 5.500 0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.215 4.485 3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.376 5.794 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.744 6.293 3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.848 7.396 2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.079 5.274 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.324 6.931 0.635 1.00 0.00 H new ATOM 163 N CYS A 12 10.909 3.013 -0.228 1.00 0.00 N ATOM 164 CA CYS A 12 11.055 1.581 -0.498 1.00 0.00 C ATOM 165 C CYS A 12 11.856 1.321 -1.789 1.00 0.00 C ATOM 166 O CYS A 12 12.331 2.262 -2.431 1.00 0.00 O ATOM 167 CB CYS A 12 9.666 0.940 -0.561 1.00 0.00 C ATOM 168 SG CYS A 12 8.696 1.100 0.979 1.00 0.00 S ATOM 0 H CYS A 12 10.519 3.549 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 12 11.624 1.125 0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.106 1.394 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.777 -0.118 -0.799 1.00 0.00 H new ATOM 173 N ARG A 13 12.021 0.026 -2.143 1.00 0.00 N ATOM 174 CA ARG A 13 12.784 -0.404 -3.333 1.00 0.00 C ATOM 175 C ARG A 13 12.143 0.072 -4.668 1.00 0.00 C ATOM 176 O ARG A 13 11.836 1.259 -4.815 1.00 0.00 O ATOM 177 CB ARG A 13 12.992 -1.945 -3.302 1.00 0.00 C ATOM 178 CG ARG A 13 11.703 -2.771 -3.253 1.00 0.00 C ATOM 179 CD ARG A 13 11.979 -4.263 -3.157 1.00 0.00 C ATOM 180 NE ARG A 13 10.739 -5.050 -3.067 1.00 0.00 N ATOM 181 CZ ARG A 13 10.695 -6.386 -2.937 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.813 -7.109 -2.887 1.00 0.00 N ATOM 183 NH2 ARG A 13 9.523 -7.000 -2.857 1.00 0.00 N ATOM 0 H ARG A 13 11.628 -0.750 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 13 13.760 0.080 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.560 -2.238 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.601 -2.197 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.106 -2.458 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.111 -2.570 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.548 -4.583 -4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.598 -4.461 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 13 9.853 -4.547 -3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.721 -6.649 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.761 -8.123 -2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.660 -6.458 -2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.484 -8.014 -2.758 1.00 0.00 H new ATOM 197 N ALA A 14 11.964 -0.859 -5.631 1.00 0.00 N ATOM 198 CA ALA A 14 11.390 -0.562 -6.948 1.00 0.00 C ATOM 199 C ALA A 14 9.921 -0.097 -6.858 1.00 0.00 C ATOM 200 O ALA A 14 9.639 0.916 -6.210 1.00 0.00 O ATOM 201 CB ALA A 14 11.547 -1.781 -7.858 1.00 0.00 C ATOM 0 H ALA A 14 12.217 -1.840 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 14 11.939 0.275 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.121 -1.562 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.605 -2.019 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.027 -2.632 -7.419 1.00 0.00 H new ATOM 207 N ALA A 15 8.990 -0.826 -7.510 1.00 0.00 N ATOM 208 CA ALA A 15 7.575 -0.469 -7.499 1.00 0.00 C ATOM 209 C ALA A 15 6.670 -1.692 -7.680 1.00 0.00 C ATOM 210 O ALA A 15 6.537 -2.233 -8.784 1.00 0.00 O ATOM 211 CB ALA A 15 7.267 0.583 -8.568 1.00 0.00 C ATOM 0 H ALA A 15 9.204 -1.665 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 15 7.363 -0.045 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.206 0.832 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.855 1.480 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.520 0.187 -9.552 1.00 0.00 H new ATOM 217 N ILE A 16 6.036 -2.096 -6.579 1.00 0.00 N ATOM 218 CA ILE A 16 5.105 -3.227 -6.563 1.00 0.00 C ATOM 219 C ILE A 16 3.697 -2.644 -6.355 1.00 0.00 C ATOM 220 O ILE A 16 3.530 -1.738 -5.532 1.00 0.00 O ATOM 221 CB ILE A 16 5.487 -4.240 -5.437 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.979 -4.614 -5.541 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.629 -5.505 -5.488 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.662 -4.794 -4.198 1.00 0.00 C ATOM 0 H ILE A 16 6.153 -1.648 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 16 5.144 -3.784 -7.499 1.00 0.00 H new ATOM 0 HB ILE A 16 5.298 -3.750 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.073 -5.537 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.500 -3.838 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.929 -6.181 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.580 -5.238 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.766 -5.999 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.708 -5.056 -4.354 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.601 -3.865 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.168 -5.591 -3.642 1.00 0.00 H new ATOM 236 N ILE A 17 2.713 -3.094 -7.148 1.00 0.00 N ATOM 237 CA ILE A 17 1.358 -2.529 -7.076 1.00 0.00 C ATOM 238 C ILE A 17 0.235 -3.560 -6.861 1.00 0.00 C ATOM 239 O ILE A 17 0.344 -4.748 -7.171 1.00 0.00 O ATOM 240 CB ILE A 17 1.097 -1.698 -8.372 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.099 -0.742 -8.248 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.938 -2.578 -9.616 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.297 0.659 -7.848 1.00 0.00 C ATOM 0 H ILE A 17 2.827 -3.837 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 17 1.328 -1.901 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 17 1.994 -1.091 -8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.626 -0.705 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.798 -1.139 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.759 -1.948 -10.487 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.847 -3.159 -9.769 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.095 -3.254 -9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.594 1.283 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.799 0.633 -6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.973 1.074 -8.596 1.00 0.00 H new ATOM 255 N ARG A 18 -0.855 -2.986 -6.362 1.00 0.00 N ATOM 256 CA ARG A 18 -2.146 -3.633 -6.073 1.00 0.00 C ATOM 257 C ARG A 18 -3.105 -2.503 -5.663 1.00 0.00 C ATOM 258 O ARG A 18 -2.956 -1.405 -6.184 1.00 0.00 O ATOM 259 CB ARG A 18 -2.069 -4.752 -5.002 1.00 0.00 C ATOM 260 CG ARG A 18 -3.208 -5.779 -5.056 1.00 0.00 C ATOM 261 CD ARG A 18 -3.052 -6.773 -6.207 1.00 0.00 C ATOM 262 NE ARG A 18 -1.895 -7.662 -6.029 1.00 0.00 N ATOM 263 CZ ARG A 18 -1.531 -8.624 -6.889 1.00 0.00 C ATOM 264 NH1 ARG A 18 -2.221 -8.847 -8.007 1.00 0.00 N ATOM 265 NH2 ARG A 18 -0.465 -9.368 -6.627 1.00 0.00 N ATOM 0 H ARG A 18 -0.869 -1.993 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.499 -4.160 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.120 -5.277 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.063 -4.290 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.245 -6.324 -4.113 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.159 -5.256 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.958 -7.373 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.945 -6.226 -7.144 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.328 -7.538 -5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.042 -8.281 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.928 -9.584 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.073 -9.207 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.183 -10.102 -7.277 1.00 0.00 H new ATOM 279 N TYR A 19 -4.095 -2.741 -4.785 1.00 0.00 N ATOM 280 CA TYR A 19 -5.052 -1.681 -4.440 1.00 0.00 C ATOM 281 C TYR A 19 -4.819 -0.991 -3.088 1.00 0.00 C ATOM 282 O TYR A 19 -4.331 -1.613 -2.122 1.00 0.00 O ATOM 283 CB TYR A 19 -6.482 -2.248 -4.459 1.00 0.00 C ATOM 284 CG TYR A 19 -6.923 -2.945 -5.744 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.149 -2.938 -6.904 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.141 -3.598 -5.783 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.580 -3.565 -8.056 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.583 -4.227 -6.932 1.00 0.00 C ATOM 289 CZ TYR A 19 -7.799 -4.207 -8.066 1.00 0.00 C ATOM 290 OH TYR A 19 -8.236 -4.831 -9.212 1.00 0.00 O ATOM 0 H TYR A 19 -4.250 -3.632 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.901 -0.913 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.579 -2.957 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.175 -1.431 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.195 -2.433 -6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.760 -3.617 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.965 -3.552 -8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.538 -4.732 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.113 -5.236 -9.050 1.00 0.00 H new ATOM 300 N PHE A 20 -5.266 0.298 -3.058 1.00 0.00 N ATOM 301 CA PHE A 20 -5.249 1.170 -1.866 1.00 0.00 C ATOM 302 C PHE A 20 -6.698 1.660 -1.633 1.00 0.00 C ATOM 303 O PHE A 20 -7.592 1.265 -2.380 1.00 0.00 O ATOM 304 CB PHE A 20 -4.202 2.324 -2.015 1.00 0.00 C ATOM 305 CG PHE A 20 -4.593 3.644 -2.637 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.432 4.524 -1.983 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.065 4.013 -3.852 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.753 5.746 -2.538 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.377 5.235 -4.421 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.226 6.101 -3.762 1.00 0.00 C ATOM 0 H PHE A 20 -5.653 0.759 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.920 0.624 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.819 2.540 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.370 1.929 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.843 4.252 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.398 3.340 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.414 6.422 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.958 5.510 -5.377 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.477 7.054 -4.204 1.00 0.00 H new ATOM 320 N TYR A 21 -6.946 2.500 -0.623 1.00 0.00 N ATOM 321 CA TYR A 21 -8.302 3.000 -0.384 1.00 0.00 C ATOM 322 C TYR A 21 -8.388 4.484 -0.794 1.00 0.00 C ATOM 323 O TYR A 21 -7.835 5.355 -0.116 1.00 0.00 O ATOM 324 CB TYR A 21 -8.701 2.832 1.091 1.00 0.00 C ATOM 325 CG TYR A 21 -10.198 2.765 1.320 1.00 0.00 C ATOM 326 CD1 TYR A 21 -10.885 1.572 1.143 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.922 3.884 1.709 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.248 1.493 1.347 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.288 3.813 1.918 1.00 0.00 C ATOM 330 CZ TYR A 21 -12.945 2.616 1.735 1.00 0.00 C ATOM 331 OH TYR A 21 -14.304 2.542 1.941 1.00 0.00 O ATOM 0 H TYR A 21 -6.241 2.842 0.030 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.997 2.417 -0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.243 1.922 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.293 3.664 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.343 0.689 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.411 4.825 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.765 0.556 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.837 4.692 2.223 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.604 3.334 2.433 1.00 0.00 H new ATOM 341 N ASN A 22 -9.084 4.760 -1.905 1.00 0.00 N ATOM 342 CA ASN A 22 -9.256 6.133 -2.403 1.00 0.00 C ATOM 343 C ASN A 22 -10.710 6.560 -2.159 1.00 0.00 C ATOM 344 O ASN A 22 -11.524 6.611 -3.087 1.00 0.00 O ATOM 345 CB ASN A 22 -8.873 6.226 -3.884 1.00 0.00 C ATOM 346 CG ASN A 22 -8.842 7.652 -4.415 1.00 0.00 C ATOM 347 OD1 ASN A 22 -8.086 8.491 -3.926 1.00 0.00 O ATOM 348 ND2 ASN A 22 -9.665 7.928 -5.418 1.00 0.00 N ATOM 0 H ASN A 22 -9.539 4.049 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.593 6.812 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.892 5.772 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.582 5.643 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.688 8.867 -5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.275 7.201 -5.792 1.00 0.00 H new ATOM 355 N ALA A 23 -11.026 6.797 -0.874 1.00 0.00 N ATOM 356 CA ALA A 23 -12.380 7.145 -0.387 1.00 0.00 C ATOM 357 C ALA A 23 -13.011 8.416 -0.996 1.00 0.00 C ATOM 358 O ALA A 23 -13.779 9.128 -0.336 1.00 0.00 O ATOM 359 CB ALA A 23 -12.334 7.246 1.132 1.00 0.00 C ATOM 0 H ALA A 23 -10.335 6.752 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.037 6.343 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.324 7.502 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.022 6.289 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.623 8.019 1.424 1.00 0.00 H new ATOM 365 N LYS A 24 -12.686 8.677 -2.250 1.00 0.00 N ATOM 366 CA LYS A 24 -13.191 9.827 -2.980 1.00 0.00 C ATOM 367 C LYS A 24 -13.842 9.422 -4.303 1.00 0.00 C ATOM 368 O LYS A 24 -14.934 9.889 -4.638 1.00 0.00 O ATOM 369 CB LYS A 24 -12.041 10.794 -3.280 1.00 0.00 C ATOM 370 CG LYS A 24 -11.233 11.256 -2.070 1.00 0.00 C ATOM 371 CD LYS A 24 -12.124 11.646 -0.907 1.00 0.00 C ATOM 372 CE LYS A 24 -11.479 11.279 0.409 1.00 0.00 C ATOM 373 NZ LYS A 24 -10.333 12.171 0.747 1.00 0.00 N ATOM 0 H LYS A 24 -12.056 8.089 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.945 10.304 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.362 10.315 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.450 11.673 -3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.559 10.458 -1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.612 12.106 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.318 12.718 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.088 11.145 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.224 11.332 1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.132 10.247 0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.443 11.638 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.313 12.975 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.442 12.523 1.719 1.00 0.00 H new ATOM 387 N ALA A 25 -13.129 8.582 -5.057 1.00 0.00 N ATOM 388 CA ALA A 25 -13.577 8.123 -6.378 1.00 0.00 C ATOM 389 C ALA A 25 -14.411 6.849 -6.304 1.00 0.00 C ATOM 390 O ALA A 25 -15.622 6.869 -6.545 1.00 0.00 O ATOM 391 CB ALA A 25 -12.367 7.919 -7.282 1.00 0.00 C ATOM 0 H ALA A 25 -12.227 8.201 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.225 8.894 -6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.699 7.578 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.829 8.861 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.706 7.172 -6.843 1.00 0.00 H new ATOM 397 N GLY A 26 -13.742 5.761 -5.964 1.00 0.00 N ATOM 398 CA GLY A 26 -14.381 4.463 -5.839 1.00 0.00 C ATOM 399 C GLY A 26 -14.024 3.814 -4.526 1.00 0.00 C ATOM 400 O GLY A 26 -14.466 2.704 -4.219 1.00 0.00 O ATOM 0 H GLY A 26 -12.741 5.753 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.463 4.577 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.072 3.820 -6.663 1.00 0.00 H new ATOM 404 N LEU A 27 -13.217 4.553 -3.748 1.00 0.00 N ATOM 405 CA LEU A 27 -12.733 4.163 -2.417 1.00 0.00 C ATOM 406 C LEU A 27 -11.642 3.088 -2.457 1.00 0.00 C ATOM 407 O LEU A 27 -10.971 2.864 -1.459 1.00 0.00 O ATOM 408 CB LEU A 27 -13.885 3.827 -1.464 1.00 0.00 C ATOM 409 CG LEU A 27 -14.806 5.025 -1.169 1.00 0.00 C ATOM 410 CD1 LEU A 27 -16.041 4.986 -2.058 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.199 5.051 0.299 1.00 0.00 C ATOM 0 H LEU A 27 -12.873 5.468 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.238 5.041 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.478 3.020 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.473 3.455 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.257 5.940 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.678 5.841 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.738 5.025 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.593 4.064 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.850 5.905 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.726 4.131 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.303 5.136 0.914 1.00 0.00 H new ATOM 423 N CYS A 28 -11.429 2.474 -3.623 1.00 0.00 N ATOM 424 CA CYS A 28 -10.387 1.488 -3.806 1.00 0.00 C ATOM 425 C CYS A 28 -9.553 1.874 -5.026 1.00 0.00 C ATOM 426 O CYS A 28 -10.087 2.076 -6.121 1.00 0.00 O ATOM 427 CB CYS A 28 -10.993 0.109 -3.973 1.00 0.00 C ATOM 428 SG CYS A 28 -11.894 -0.537 -2.513 1.00 0.00 S ATOM 0 H CYS A 28 -11.981 2.654 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.742 1.460 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.678 0.132 -4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.197 -0.591 -4.226 1.00 0.00 H new ATOM 433 N GLN A 29 -8.249 2.030 -4.796 1.00 0.00 N ATOM 434 CA GLN A 29 -7.305 2.459 -5.824 1.00 0.00 C ATOM 435 C GLN A 29 -6.098 1.506 -5.939 1.00 0.00 C ATOM 436 O GLN A 29 -6.286 0.300 -5.882 1.00 0.00 O ATOM 437 CB GLN A 29 -6.921 3.908 -5.518 1.00 0.00 C ATOM 438 CG GLN A 29 -7.141 4.872 -6.674 1.00 0.00 C ATOM 439 CD GLN A 29 -6.147 4.698 -7.812 1.00 0.00 C ATOM 440 OE1 GLN A 29 -6.075 3.637 -8.435 1.00 0.00 O ATOM 441 NE2 GLN A 29 -5.374 5.742 -8.088 1.00 0.00 N ATOM 0 H GLN A 29 -7.818 1.861 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.766 2.417 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.498 4.251 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.871 3.940 -5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.151 4.737 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.077 5.894 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.466 6.602 -7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.688 5.684 -8.841 1.00 0.00 H new ATOM 450 N THR A 30 -4.878 2.042 -6.153 1.00 0.00 N ATOM 451 CA THR A 30 -3.653 1.204 -6.333 1.00 0.00 C ATOM 452 C THR A 30 -2.381 1.838 -5.745 1.00 0.00 C ATOM 453 O THR A 30 -2.245 3.064 -5.766 1.00 0.00 O ATOM 454 CB THR A 30 -3.403 0.930 -7.826 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.394 2.137 -8.569 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.418 0.002 -8.464 1.00 0.00 C ATOM 0 H THR A 30 -4.706 3.046 -6.207 1.00 0.00 H new ATOM 0 HA THR A 30 -3.851 0.280 -5.789 1.00 0.00 H new ATOM 0 HB THR A 30 -2.431 0.438 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.287 2.541 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.171 -0.140 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.401 -0.961 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.413 0.439 -8.381 1.00 0.00 H new ATOM 464 N PHE A 31 -1.424 0.990 -5.243 1.00 0.00 N ATOM 465 CA PHE A 31 -0.140 1.518 -4.661 1.00 0.00 C ATOM 466 C PHE A 31 0.850 0.473 -4.086 1.00 0.00 C ATOM 467 O PHE A 31 1.988 0.841 -3.774 1.00 0.00 O ATOM 468 CB PHE A 31 -0.442 2.473 -3.460 1.00 0.00 C ATOM 469 CG PHE A 31 -0.968 1.783 -2.197 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.675 0.578 -2.251 1.00 0.00 C ATOM 471 CD2 PHE A 31 -0.747 2.346 -0.953 1.00 0.00 C ATOM 472 CE1 PHE A 31 -2.139 -0.027 -1.107 1.00 0.00 C ATOM 473 CE2 PHE A 31 -1.215 1.741 0.193 1.00 0.00 C ATOM 474 CZ PHE A 31 -1.911 0.556 0.115 1.00 0.00 C ATOM 0 H PHE A 31 -1.510 -0.026 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 31 0.327 1.993 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.470 3.013 -3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.173 3.215 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.860 0.114 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.199 3.274 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.682 -0.959 -1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.035 2.198 1.155 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.278 0.085 1.015 1.00 0.00 H new ATOM 484 N VAL A 32 0.369 -0.753 -3.801 1.00 0.00 N ATOM 485 CA VAL A 32 1.152 -1.787 -3.061 1.00 0.00 C ATOM 486 C VAL A 32 2.318 -1.198 -2.269 1.00 0.00 C ATOM 487 O VAL A 32 2.087 -0.670 -1.179 1.00 0.00 O ATOM 488 CB VAL A 32 1.538 -3.091 -3.842 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.811 -3.773 -3.319 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.418 -4.084 -3.691 1.00 0.00 C ATOM 0 H VAL A 32 -0.565 -1.062 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 32 0.420 -2.159 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 32 1.716 -2.791 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.013 -4.667 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.653 -3.085 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.672 -4.051 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.668 -4.999 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.273 -4.311 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.500 -3.662 -4.101 1.00 0.00 H new ATOM 500 N TYR A 33 3.554 -1.345 -2.780 1.00 0.00 N ATOM 501 CA TYR A 33 4.754 -0.900 -2.063 1.00 0.00 C ATOM 502 C TYR A 33 6.058 -1.422 -2.683 1.00 0.00 C ATOM 503 O TYR A 33 6.046 -2.081 -3.723 1.00 0.00 O ATOM 504 CB TYR A 33 4.536 -1.382 -0.615 1.00 0.00 C ATOM 505 CG TYR A 33 5.394 -2.468 -0.034 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.414 -3.731 -0.590 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.099 -2.243 1.118 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.145 -4.748 -0.012 1.00 0.00 C ATOM 509 CE2 TYR A 33 6.817 -3.242 1.712 1.00 0.00 C ATOM 510 CZ TYR A 33 6.846 -4.499 1.147 1.00 0.00 C ATOM 511 OH TYR A 33 7.568 -5.506 1.744 1.00 0.00 O ATOM 0 H TYR A 33 3.744 -1.769 -3.688 1.00 0.00 H new ATOM 0 HA TYR A 33 4.879 0.182 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.638 -0.511 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.501 -1.715 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.850 -3.926 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.087 -1.260 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.167 -5.729 -0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.362 -3.047 2.624 1.00 0.00 H new ATOM 0 HH TYR A 33 7.891 -5.203 2.618 1.00 0.00 H new ATOM 521 N GLY A 34 7.172 -1.130 -1.999 1.00 0.00 N ATOM 522 CA GLY A 34 8.472 -1.580 -2.422 1.00 0.00 C ATOM 523 C GLY A 34 9.035 -2.617 -1.463 1.00 0.00 C ATOM 524 O GLY A 34 8.617 -3.779 -1.488 1.00 0.00 O ATOM 0 H GLY A 34 7.181 -0.576 -1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.404 -2.006 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.152 -0.730 -2.483 1.00 0.00 H new ATOM 528 N GLY A 35 9.983 -2.191 -0.617 1.00 0.00 N ATOM 529 CA GLY A 35 10.602 -3.092 0.349 1.00 0.00 C ATOM 530 C GLY A 35 10.702 -2.486 1.742 1.00 0.00 C ATOM 531 O GLY A 35 11.799 -2.162 2.206 1.00 0.00 O ATOM 0 H GLY A 35 10.332 -1.233 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.024 -4.015 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.600 -3.359 0.002 1.00 0.00 H new ATOM 535 N CYS A 36 9.546 -2.340 2.400 1.00 0.00 N ATOM 536 CA CYS A 36 9.455 -1.775 3.753 1.00 0.00 C ATOM 537 C CYS A 36 8.448 -2.593 4.593 1.00 0.00 C ATOM 538 O CYS A 36 8.229 -3.773 4.305 1.00 0.00 O ATOM 539 CB CYS A 36 9.043 -0.293 3.661 1.00 0.00 C ATOM 540 SG CYS A 36 10.022 0.670 2.461 1.00 0.00 S ATOM 0 H CYS A 36 8.644 -2.611 2.008 1.00 0.00 H new ATOM 0 HA CYS A 36 10.425 -1.829 4.248 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.990 -0.235 3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.141 0.164 4.646 1.00 0.00 H new ATOM 545 N ARG A 37 7.826 -1.970 5.622 1.00 0.00 N ATOM 546 CA ARG A 37 6.836 -2.653 6.476 1.00 0.00 C ATOM 547 C ARG A 37 5.446 -2.646 5.836 1.00 0.00 C ATOM 548 O ARG A 37 4.419 -2.771 6.515 1.00 0.00 O ATOM 549 CB ARG A 37 6.806 -2.034 7.893 1.00 0.00 C ATOM 550 CG ARG A 37 6.270 -0.601 7.955 1.00 0.00 C ATOM 551 CD ARG A 37 6.149 -0.101 9.389 1.00 0.00 C ATOM 552 NE ARG A 37 5.093 -0.800 10.134 1.00 0.00 N ATOM 553 CZ ARG A 37 4.775 -0.562 11.415 1.00 0.00 C ATOM 554 NH1 ARG A 37 5.423 0.361 12.125 1.00 0.00 N ATOM 555 NH2 ARG A 37 3.800 -1.254 11.989 1.00 0.00 N ATOM 0 H ARG A 37 7.995 -0.997 5.877 1.00 0.00 H new ATOM 0 HA ARG A 37 7.144 -3.694 6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.193 -2.665 8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.816 -2.047 8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.933 0.059 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.294 -0.557 7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.102 -0.236 9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.939 0.969 9.382 1.00 0.00 H new ATOM 0 HE ARG A 37 4.563 -1.519 9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.175 0.900 11.695 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.167 0.528 13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.296 -1.963 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.554 -1.077 12.963 1.00 0.00 H new ATOM 569 N ALA A 38 5.446 -2.491 4.507 1.00 0.00 N ATOM 570 CA ALA A 38 4.234 -2.440 3.672 1.00 0.00 C ATOM 571 C ALA A 38 3.189 -1.432 4.210 1.00 0.00 C ATOM 572 O ALA A 38 2.003 -1.512 3.867 1.00 0.00 O ATOM 573 CB ALA A 38 3.626 -3.837 3.508 1.00 0.00 C ATOM 0 H ALA A 38 6.306 -2.395 3.967 1.00 0.00 H new ATOM 0 HA ALA A 38 4.537 -2.080 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.732 -3.774 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.352 -4.496 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.361 -4.236 4.487 1.00 0.00 H new ATOM 579 N LYS A 39 3.658 -0.488 5.074 1.00 0.00 N ATOM 580 CA LYS A 39 2.841 0.558 5.722 1.00 0.00 C ATOM 581 C LYS A 39 1.436 0.053 6.086 1.00 0.00 C ATOM 582 O LYS A 39 0.463 0.800 6.029 1.00 0.00 O ATOM 583 CB LYS A 39 2.781 1.815 4.828 1.00 0.00 C ATOM 584 CG LYS A 39 2.341 3.106 5.530 1.00 0.00 C ATOM 585 CD LYS A 39 3.436 3.682 6.423 1.00 0.00 C ATOM 586 CE LYS A 39 2.981 4.959 7.109 1.00 0.00 C ATOM 587 NZ LYS A 39 4.044 5.530 7.982 1.00 0.00 N ATOM 0 H LYS A 39 4.641 -0.439 5.340 1.00 0.00 H new ATOM 0 HA LYS A 39 3.323 0.826 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.767 1.977 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.096 1.620 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.059 3.846 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.453 2.906 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.719 2.945 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.325 3.886 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.696 5.694 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.092 4.754 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.694 6.400 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.298 4.839 8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.883 5.750 7.408 1.00 0.00 H new ATOM 601 N SER A 40 1.357 -1.240 6.466 1.00 0.00 N ATOM 602 CA SER A 40 0.086 -1.907 6.857 1.00 0.00 C ATOM 603 C SER A 40 -0.993 -1.895 5.735 1.00 0.00 C ATOM 604 O SER A 40 -1.504 -2.958 5.371 1.00 0.00 O ATOM 605 CB SER A 40 -0.459 -1.291 8.154 1.00 0.00 C ATOM 606 OG SER A 40 -1.595 -1.995 8.632 1.00 0.00 O ATOM 0 H SER A 40 2.169 -1.855 6.512 1.00 0.00 H new ATOM 0 HA SER A 40 0.323 -2.957 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.321 -1.298 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.724 -0.248 7.978 1.00 0.00 H new ATOM 0 HG SER A 40 -1.915 -1.577 9.459 1.00 0.00 H new ATOM 612 N ASN A 41 -1.334 -0.698 5.195 1.00 0.00 N ATOM 613 CA ASN A 41 -2.332 -0.542 4.132 1.00 0.00 C ATOM 614 C ASN A 41 -1.829 -1.178 2.836 1.00 0.00 C ATOM 615 O ASN A 41 -0.703 -0.873 2.421 1.00 0.00 O ATOM 616 CB ASN A 41 -2.564 0.951 3.879 1.00 0.00 C ATOM 617 CG ASN A 41 -3.932 1.262 3.307 1.00 0.00 C ATOM 618 OD1 ASN A 41 -4.941 1.078 3.982 1.00 0.00 O ATOM 619 ND2 ASN A 41 -3.971 1.759 2.070 1.00 0.00 N ATOM 0 H ASN A 41 -0.917 0.184 5.493 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.256 -1.029 4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.439 1.494 4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.800 1.318 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.866 2.004 1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.106 1.894 1.547 1.00 0.00 H new ATOM 626 N ASN A 42 -2.638 -2.056 2.193 1.00 0.00 N ATOM 627 CA ASN A 42 -2.217 -2.718 0.934 1.00 0.00 C ATOM 628 C ASN A 42 -3.196 -3.823 0.476 1.00 0.00 C ATOM 629 O ASN A 42 -3.785 -4.520 1.304 1.00 0.00 O ATOM 630 CB ASN A 42 -0.785 -3.296 1.133 1.00 0.00 C ATOM 631 CG ASN A 42 -0.227 -4.100 -0.040 1.00 0.00 C ATOM 632 OD1 ASN A 42 -0.812 -5.091 -0.475 1.00 0.00 O ATOM 633 ND2 ASN A 42 0.928 -3.677 -0.540 1.00 0.00 N ATOM 0 H ASN A 42 -3.569 -2.318 2.518 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.220 -1.971 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.105 -2.470 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.790 -3.933 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.363 -4.179 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.380 -2.850 -0.150 1.00 0.00 H new ATOM 640 N PHE A 43 -3.313 -3.965 -0.877 1.00 0.00 N ATOM 641 CA PHE A 43 -4.149 -4.984 -1.594 1.00 0.00 C ATOM 642 C PHE A 43 -5.491 -4.440 -2.025 1.00 0.00 C ATOM 643 O PHE A 43 -5.797 -4.434 -3.216 1.00 0.00 O ATOM 644 CB PHE A 43 -4.378 -6.300 -0.836 1.00 0.00 C ATOM 645 CG PHE A 43 -3.124 -7.073 -0.492 1.00 0.00 C ATOM 646 CD1 PHE A 43 -2.458 -7.806 -1.466 1.00 0.00 C ATOM 647 CD2 PHE A 43 -2.617 -7.074 0.799 1.00 0.00 C ATOM 648 CE1 PHE A 43 -1.314 -8.518 -1.159 1.00 0.00 C ATOM 649 CE2 PHE A 43 -1.473 -7.787 1.110 1.00 0.00 C ATOM 650 CZ PHE A 43 -0.822 -8.509 0.130 1.00 0.00 C ATOM 0 H PHE A 43 -2.812 -3.354 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.538 -5.216 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.914 -6.080 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.026 -6.939 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.839 -7.820 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.121 -6.511 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.805 -9.081 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.089 -7.779 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.071 -9.066 0.372 1.00 0.00 H new ATOM 660 N LYS A 44 -6.264 -3.990 -1.034 1.00 0.00 N ATOM 661 CA LYS A 44 -7.601 -3.403 -1.164 1.00 0.00 C ATOM 662 C LYS A 44 -8.446 -3.885 -2.376 1.00 0.00 C ATOM 663 O LYS A 44 -9.135 -3.091 -3.028 1.00 0.00 O ATOM 664 CB LYS A 44 -7.463 -1.887 -1.139 1.00 0.00 C ATOM 665 CG LYS A 44 -6.580 -1.323 -0.017 1.00 0.00 C ATOM 666 CD LYS A 44 -7.053 -1.747 1.370 1.00 0.00 C ATOM 667 CE LYS A 44 -6.454 -0.881 2.457 1.00 0.00 C ATOM 668 NZ LYS A 44 -7.041 0.488 2.460 1.00 0.00 N ATOM 0 H LYS A 44 -5.956 -4.027 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.180 -3.763 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.057 -1.561 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.458 -1.450 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.553 -1.657 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.573 -0.235 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.140 -1.689 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.782 -2.788 1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.619 -1.349 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.375 -0.814 2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.536 1.081 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.952 0.906 1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.046 0.434 2.721 1.00 0.00 H new ATOM 682 N SER A 45 -8.394 -5.197 -2.645 1.00 0.00 N ATOM 683 CA SER A 45 -9.144 -5.835 -3.744 1.00 0.00 C ATOM 684 C SER A 45 -10.659 -5.716 -3.545 1.00 0.00 C ATOM 685 O SER A 45 -11.376 -5.227 -4.421 1.00 0.00 O ATOM 686 CB SER A 45 -8.737 -7.308 -3.878 1.00 0.00 C ATOM 687 OG SER A 45 -7.352 -7.431 -4.155 1.00 0.00 O ATOM 0 H SER A 45 -7.828 -5.852 -2.105 1.00 0.00 H new ATOM 0 HA SER A 45 -8.893 -5.309 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.976 -7.840 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.314 -7.777 -4.675 1.00 0.00 H new ATOM 0 HG SER A 45 -7.117 -8.379 -4.234 1.00 0.00 H new ATOM 693 N ALA A 46 -11.114 -6.157 -2.372 1.00 0.00 N ATOM 694 CA ALA A 46 -12.524 -6.114 -1.977 1.00 0.00 C ATOM 695 C ALA A 46 -12.637 -6.299 -0.470 1.00 0.00 C ATOM 696 O ALA A 46 -12.963 -5.356 0.267 1.00 0.00 O ATOM 697 CB ALA A 46 -13.360 -7.161 -2.730 1.00 0.00 C ATOM 0 H ALA A 46 -10.506 -6.560 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.928 -5.138 -2.247 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.399 -7.096 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.299 -6.973 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.975 -8.158 -2.514 1.00 0.00 H new ATOM 703 N GLU A 47 -12.322 -7.519 -0.019 1.00 0.00 N ATOM 704 CA GLU A 47 -12.341 -7.874 1.400 1.00 0.00 C ATOM 705 C GLU A 47 -11.277 -7.078 2.158 1.00 0.00 C ATOM 706 O GLU A 47 -11.497 -6.658 3.292 1.00 0.00 O ATOM 707 CB GLU A 47 -12.119 -9.380 1.571 1.00 0.00 C ATOM 708 CG GLU A 47 -12.568 -9.953 2.920 1.00 0.00 C ATOM 709 CD GLU A 47 -14.079 -9.999 3.088 1.00 0.00 C ATOM 710 OE1 GLU A 47 -14.746 -10.705 2.301 1.00 0.00 O ATOM 711 OE2 GLU A 47 -14.594 -9.327 4.006 1.00 0.00 O ATOM 0 H GLU A 47 -12.047 -8.287 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.317 -7.622 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.651 -9.903 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.058 -9.593 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.168 -10.961 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.140 -9.352 3.722 1.00 0.00 H new ATOM 718 N ASP A 48 -10.146 -6.857 1.477 1.00 0.00 N ATOM 719 CA ASP A 48 -9.010 -6.094 1.987 1.00 0.00 C ATOM 720 C ASP A 48 -9.391 -4.636 2.218 1.00 0.00 C ATOM 721 O ASP A 48 -9.344 -4.121 3.336 1.00 0.00 O ATOM 722 CB ASP A 48 -7.886 -6.159 0.966 1.00 0.00 C ATOM 723 CG ASP A 48 -7.218 -7.521 0.908 1.00 0.00 C ATOM 724 OD1 ASP A 48 -7.882 -8.491 0.486 1.00 0.00 O ATOM 725 OD2 ASP A 48 -6.037 -7.622 1.300 1.00 0.00 O ATOM 0 H ASP A 48 -9.996 -7.214 0.533 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.695 -6.522 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.282 -5.912 -0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.138 -5.403 1.208 1.00 0.00 H new ATOM 730 N CYS A 49 -9.780 -4.006 1.112 1.00 0.00 N ATOM 731 CA CYS A 49 -10.214 -2.614 1.048 1.00 0.00 C ATOM 732 C CYS A 49 -11.291 -2.297 2.094 1.00 0.00 C ATOM 733 O CYS A 49 -11.301 -1.211 2.693 1.00 0.00 O ATOM 734 CB CYS A 49 -10.760 -2.400 -0.357 1.00 0.00 C ATOM 735 SG CYS A 49 -10.488 -0.728 -1.056 1.00 0.00 S ATOM 0 H CYS A 49 -9.802 -4.468 0.203 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.378 -1.949 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.303 -3.133 -1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.831 -2.602 -0.348 1.00 0.00 H new ATOM 740 N MET A 50 -12.189 -3.272 2.298 1.00 0.00 N ATOM 741 CA MET A 50 -13.290 -3.144 3.244 1.00 0.00 C ATOM 742 C MET A 50 -12.867 -3.305 4.706 1.00 0.00 C ATOM 743 O MET A 50 -13.288 -2.517 5.554 1.00 0.00 O ATOM 744 CB MET A 50 -14.380 -4.136 2.888 1.00 0.00 C ATOM 745 CG MET A 50 -15.369 -3.590 1.875 1.00 0.00 C ATOM 746 SD MET A 50 -16.728 -4.721 1.537 1.00 0.00 S ATOM 747 CE MET A 50 -17.755 -3.681 0.505 1.00 0.00 C ATOM 0 H MET A 50 -12.166 -4.167 1.809 1.00 0.00 H new ATOM 0 HA MET A 50 -13.667 -2.125 3.158 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.923 -5.042 2.490 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.915 -4.420 3.794 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.772 -2.646 2.242 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.845 -3.373 0.944 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.646 -4.232 0.205 1.00 0.00 H new ATOM 0 HE2 MET A 50 -18.049 -2.792 1.063 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.196 -3.384 -0.383 1.00 0.00 H new ATOM 757 N ARG A 51 -12.044 -4.323 5.006 1.00 0.00 N ATOM 758 CA ARG A 51 -11.590 -4.571 6.385 1.00 0.00 C ATOM 759 C ARG A 51 -10.721 -3.435 6.946 1.00 0.00 C ATOM 760 O ARG A 51 -10.764 -3.152 8.147 1.00 0.00 O ATOM 761 CB ARG A 51 -10.870 -5.931 6.516 1.00 0.00 C ATOM 762 CG ARG A 51 -9.787 -6.241 5.482 1.00 0.00 C ATOM 763 CD ARG A 51 -8.447 -5.601 5.823 1.00 0.00 C ATOM 764 NE ARG A 51 -7.356 -6.034 4.929 1.00 0.00 N ATOM 765 CZ ARG A 51 -6.786 -7.255 4.933 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.187 -8.198 5.783 1.00 0.00 N ATOM 767 NH2 ARG A 51 -5.811 -7.525 4.078 1.00 0.00 N ATOM 0 H ARG A 51 -11.681 -4.983 4.318 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.494 -4.605 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.418 -5.982 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.621 -6.719 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.660 -7.321 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.114 -5.890 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.545 -4.517 5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.185 -5.847 6.852 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.005 -5.355 4.254 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.937 -8.002 6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.744 -9.117 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.496 -6.811 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.375 -8.447 4.076 1.00 0.00 H new ATOM 781 N THR A 52 -9.935 -2.802 6.068 1.00 0.00 N ATOM 782 CA THR A 52 -9.047 -1.708 6.461 1.00 0.00 C ATOM 783 C THR A 52 -9.781 -0.355 6.516 1.00 0.00 C ATOM 784 O THR A 52 -9.614 0.388 7.488 1.00 0.00 O ATOM 785 CB THR A 52 -7.838 -1.613 5.520 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.339 -2.895 5.193 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.667 -0.820 6.089 1.00 0.00 C ATOM 0 H THR A 52 -9.898 -3.032 5.075 1.00 0.00 H new ATOM 0 HA THR A 52 -8.695 -1.937 7.467 1.00 0.00 H new ATOM 0 HB THR A 52 -8.225 -1.093 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.874 -3.279 4.467 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.854 -0.800 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.988 0.200 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.321 -1.292 7.009 1.00 0.00 H new ATOM 795 N CYS A 53 -10.560 -0.019 5.465 1.00 0.00 N ATOM 796 CA CYS A 53 -11.261 1.277 5.428 1.00 0.00 C ATOM 797 C CYS A 53 -12.702 1.192 4.897 1.00 0.00 C ATOM 798 O CYS A 53 -13.392 2.216 4.813 1.00 0.00 O ATOM 799 CB CYS A 53 -10.458 2.263 4.580 1.00 0.00 C ATOM 800 SG CYS A 53 -8.835 2.698 5.277 1.00 0.00 S ATOM 0 H CYS A 53 -10.716 -0.613 4.650 1.00 0.00 H new ATOM 0 HA CYS A 53 -11.337 1.619 6.460 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.312 1.836 3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -11.042 3.174 4.452 1.00 0.00 H new ATOM 805 N GLY A 54 -13.158 -0.016 4.546 1.00 0.00 N ATOM 806 CA GLY A 54 -14.519 -0.197 4.030 1.00 0.00 C ATOM 807 C GLY A 54 -15.591 -0.152 5.113 1.00 0.00 C ATOM 808 O GLY A 54 -16.622 0.504 4.938 1.00 0.00 O ATOM 0 H GLY A 54 -12.611 -0.874 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.726 0.579 3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.578 -1.154 3.511 1.00 0.00 H new ATOM 812 N GLY A 55 -15.339 -0.850 6.225 1.00 0.00 N ATOM 813 CA GLY A 55 -16.285 -0.883 7.331 1.00 0.00 C ATOM 814 C GLY A 55 -15.730 -0.250 8.592 1.00 0.00 C ATOM 815 O GLY A 55 -15.797 0.971 8.757 1.00 0.00 O ATOM 0 H GLY A 55 -14.491 -1.395 6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.198 -0.363 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.560 -1.917 7.539 1.00 0.00 H new ATOM 819 N ALA A 56 -15.179 -1.087 9.475 1.00 0.00 N ATOM 820 CA ALA A 56 -14.601 -0.623 10.735 1.00 0.00 C ATOM 821 C ALA A 56 -13.082 -0.551 10.649 1.00 0.00 C ATOM 822 O ALA A 56 -12.474 -1.504 10.118 1.00 0.00 O ATOM 823 CB ALA A 56 -15.025 -1.535 11.877 1.00 0.00 C ATOM 824 OXT ALA A 56 -12.510 0.458 11.113 1.00 0.00 O ATOM 0 H ALA A 56 -15.122 -2.096 9.337 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.975 0.382 10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.588 -1.178 12.809 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.112 -1.531 11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.680 -2.550 11.680 1.00 0.00 H new TER 830 ALA A 56