USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 431 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 47 SER OG : rot -130:sc= 0.831 USER MOD Set 1.2: A 49 LYS NZ :NH3+ -122:sc= -0.122 (180deg=-3.59!) USER MOD Single : A 1 GLU N :NH3+ -139:sc= -2.34! (180deg=-6.11!) USER MOD Single : A 2 THR OG1 : rot 93:sc= 1.08 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -1.16 (180deg=-1.92!) USER MOD Single : A 9 LYS NZ :NH3+ -117:sc= -1.59! (180deg=-2.23!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -1.03 (180deg=-1.2) USER MOD Single : A 22 TYR OH : rot 180:sc=-0.00179 USER MOD Single : A 23 TYR OH : rot -2:sc= 0.312 USER MOD Single : A 26 ASN : amide:sc= 0.767 K(o=0.77,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0958! USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= -2.08! (180deg=-3.71) USER MOD Single : A 29 SER OG : rot 180:sc= 0.376 USER MOD Single : A 35 TYR OH : rot -66:sc= -0.701 USER MOD Single : A 41 ASN : amide:sc= 0.227 K(o=0.23,f=-13!) USER MOD Single : A 43 ASN : amide:sc= 1.76 K(o=1.8,f=-8.3!) USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -1.32! (180deg=-4.63!) USER MOD Single : A 48 GLN : amide:sc= 0.755 K(o=0.76,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0.572 (180deg=0.425) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.897 -15.971 -2.625 1.00 0.00 N ATOM 2 CA GLU A 1 -8.833 -15.212 -1.752 1.00 0.00 C ATOM 3 C GLU A 1 -8.143 -14.854 -0.421 1.00 0.00 C ATOM 4 O GLU A 1 -8.159 -15.577 0.554 1.00 0.00 O ATOM 5 CB GLU A 1 -10.103 -16.115 -1.647 1.00 0.00 C ATOM 6 CG GLU A 1 -10.571 -16.442 -3.159 1.00 0.00 C ATOM 7 CD GLU A 1 -9.989 -15.485 -4.198 1.00 0.00 C ATOM 8 OE1 GLU A 1 -10.372 -14.343 -4.252 1.00 0.00 O ATOM 9 OE2 GLU A 1 -9.117 -15.931 -4.908 1.00 0.00 O ATOM 0 H1 GLU A 1 -7.993 -15.641 -3.607 1.00 0.00 H new ATOM 0 H2 GLU A 1 -6.920 -15.818 -2.302 1.00 0.00 H new ATOM 0 H3 GLU A 1 -8.123 -16.985 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 1 -9.132 -14.240 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -9.880 -17.034 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -10.895 -15.605 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -10.276 -17.461 -3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -11.659 -16.403 -3.210 1.00 0.00 H new ATOM 18 N THR A 2 -7.543 -13.696 -0.532 1.00 0.00 N ATOM 19 CA THR A 2 -6.718 -12.906 0.486 1.00 0.00 C ATOM 20 C THR A 2 -5.375 -12.735 -0.235 1.00 0.00 C ATOM 21 O THR A 2 -4.284 -12.969 0.235 1.00 0.00 O ATOM 22 CB THR A 2 -6.496 -13.688 1.798 1.00 0.00 C ATOM 23 OG1 THR A 2 -7.807 -13.736 2.326 1.00 0.00 O ATOM 24 CG2 THR A 2 -5.873 -12.829 2.874 1.00 0.00 C ATOM 0 H THR A 2 -7.596 -13.187 -1.414 1.00 0.00 H new ATOM 0 HA THR A 2 -7.208 -11.977 0.777 1.00 0.00 H new ATOM 0 HB THR A 2 -5.924 -14.593 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.246 -14.563 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.736 -13.422 3.779 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.906 -12.461 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.527 -11.984 3.089 1.00 0.00 H new ATOM 32 N ASP A 3 -5.571 -12.278 -1.432 1.00 0.00 N ATOM 33 CA ASP A 3 -4.529 -11.998 -2.444 1.00 0.00 C ATOM 34 C ASP A 3 -4.402 -10.458 -2.602 1.00 0.00 C ATOM 35 O ASP A 3 -4.876 -9.870 -3.545 1.00 0.00 O ATOM 36 CB ASP A 3 -5.026 -12.747 -3.748 1.00 0.00 C ATOM 37 CG ASP A 3 -6.082 -13.787 -3.480 1.00 0.00 C ATOM 38 OD1 ASP A 3 -7.221 -13.391 -3.335 1.00 0.00 O ATOM 39 OD2 ASP A 3 -5.779 -14.949 -3.413 1.00 0.00 O ATOM 0 H ASP A 3 -6.508 -12.069 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.530 -12.349 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.421 -12.013 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.173 -13.223 -4.231 1.00 0.00 H new ATOM 44 N ILE A 4 -3.777 -9.825 -1.661 1.00 0.00 N ATOM 45 CA ILE A 4 -3.582 -8.324 -1.697 1.00 0.00 C ATOM 46 C ILE A 4 -3.245 -7.760 -3.105 1.00 0.00 C ATOM 47 O ILE A 4 -3.607 -6.668 -3.488 1.00 0.00 O ATOM 48 CB ILE A 4 -2.467 -7.960 -0.649 1.00 0.00 C ATOM 49 CG1 ILE A 4 -2.160 -6.435 -0.731 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.156 -8.771 -0.872 1.00 0.00 C ATOM 51 CD1 ILE A 4 -1.256 -6.001 0.452 1.00 0.00 C ATOM 0 H ILE A 4 -3.377 -10.280 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.530 -7.852 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.845 -8.220 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.667 -6.207 -1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.091 -5.869 -0.712 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.418 -8.483 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.368 -9.836 -0.782 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.764 -8.562 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.051 -4.933 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.763 -6.210 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.318 -6.554 0.415 1.00 0.00 H new ATOM 63 N CYS A 5 -2.563 -8.585 -3.834 1.00 0.00 N ATOM 64 CA CYS A 5 -2.101 -8.285 -5.232 1.00 0.00 C ATOM 65 C CYS A 5 -3.250 -8.161 -6.289 1.00 0.00 C ATOM 66 O CYS A 5 -3.068 -7.809 -7.437 1.00 0.00 O ATOM 67 CB CYS A 5 -1.117 -9.412 -5.497 1.00 0.00 C ATOM 68 SG CYS A 5 0.095 -9.650 -4.175 1.00 0.00 S ATOM 0 H CYS A 5 -2.286 -9.511 -3.508 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.650 -7.297 -5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.671 -10.340 -5.640 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.589 -9.209 -6.429 1.00 0.00 H new ATOM 73 N LYS A 6 -4.429 -8.471 -5.845 1.00 0.00 N ATOM 74 CA LYS A 6 -5.691 -8.435 -6.629 1.00 0.00 C ATOM 75 C LYS A 6 -6.553 -7.224 -6.150 1.00 0.00 C ATOM 76 O LYS A 6 -7.670 -7.025 -6.591 1.00 0.00 O ATOM 77 CB LYS A 6 -6.282 -9.862 -6.371 1.00 0.00 C ATOM 78 CG LYS A 6 -7.794 -9.824 -6.153 1.00 0.00 C ATOM 79 CD LYS A 6 -8.294 -11.204 -5.595 1.00 0.00 C ATOM 80 CE LYS A 6 -8.055 -12.421 -6.503 1.00 0.00 C ATOM 81 NZ LYS A 6 -8.371 -13.593 -5.653 1.00 0.00 N ATOM 0 H LYS A 6 -4.578 -8.775 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.605 -8.263 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.054 -10.508 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.801 -10.301 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.049 -9.027 -5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.299 -9.598 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.804 -11.387 -4.639 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.363 -11.128 -5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.694 -12.388 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.025 -12.455 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.998 -14.456 -6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.935 -13.470 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.402 -13.677 -5.546 1.00 0.00 H new ATOM 95 N LEU A 7 -6.003 -6.436 -5.262 1.00 0.00 N ATOM 96 CA LEU A 7 -6.715 -5.254 -4.723 1.00 0.00 C ATOM 97 C LEU A 7 -6.246 -3.916 -5.388 1.00 0.00 C ATOM 98 O LEU A 7 -5.066 -3.634 -5.457 1.00 0.00 O ATOM 99 CB LEU A 7 -6.477 -5.231 -3.188 1.00 0.00 C ATOM 100 CG LEU A 7 -6.829 -6.571 -2.508 1.00 0.00 C ATOM 101 CD1 LEU A 7 -6.618 -6.391 -1.006 1.00 0.00 C ATOM 102 CD2 LEU A 7 -8.309 -6.897 -2.716 1.00 0.00 C ATOM 0 H LEU A 7 -5.066 -6.572 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.778 -5.335 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.432 -4.992 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.075 -4.435 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.211 -7.366 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.858 -7.321 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.578 -6.128 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.267 -5.596 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.544 -7.845 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.920 -6.106 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.518 -6.973 -3.783 1.00 0.00 H new ATOM 114 N PRO A 8 -7.192 -3.140 -5.862 1.00 0.00 N ATOM 115 CA PRO A 8 -6.933 -1.962 -6.763 1.00 0.00 C ATOM 116 C PRO A 8 -5.990 -0.796 -6.324 1.00 0.00 C ATOM 117 O PRO A 8 -5.264 -0.801 -5.353 1.00 0.00 O ATOM 118 CB PRO A 8 -8.384 -1.497 -7.094 1.00 0.00 C ATOM 119 CG PRO A 8 -9.164 -1.909 -5.832 1.00 0.00 C ATOM 120 CD PRO A 8 -8.647 -3.303 -5.560 1.00 0.00 C ATOM 0 HA PRO A 8 -6.310 -2.289 -7.596 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.435 -0.422 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.772 -1.985 -7.988 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.969 -1.235 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.241 -1.903 -6.002 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.821 -3.612 -4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.119 -4.049 -6.200 1.00 0.00 H new ATOM 128 N LYS A 9 -6.065 0.196 -7.154 1.00 0.00 N ATOM 129 CA LYS A 9 -5.289 1.477 -7.018 1.00 0.00 C ATOM 130 C LYS A 9 -6.256 2.462 -6.304 1.00 0.00 C ATOM 131 O LYS A 9 -6.948 3.182 -6.997 1.00 0.00 O ATOM 132 CB LYS A 9 -4.922 1.954 -8.458 1.00 0.00 C ATOM 133 CG LYS A 9 -4.225 3.338 -8.399 1.00 0.00 C ATOM 134 CD LYS A 9 -4.676 4.228 -9.623 1.00 0.00 C ATOM 135 CE LYS A 9 -5.261 5.556 -9.110 1.00 0.00 C ATOM 136 NZ LYS A 9 -6.486 5.220 -8.357 1.00 0.00 N ATOM 0 H LYS A 9 -6.668 0.179 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.363 1.387 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.264 1.227 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.822 2.017 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.474 3.839 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.143 3.209 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.826 4.422 -10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.420 3.697 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.545 6.073 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.489 6.224 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.310 5.648 -8.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.603 4.187 -8.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.409 5.588 -7.387 1.00 0.00 H new ATOM 150 N ASP A 10 -6.297 2.499 -5.004 1.00 0.00 N ATOM 151 CA ASP A 10 -7.248 3.444 -4.316 1.00 0.00 C ATOM 152 C ASP A 10 -6.716 4.683 -3.462 1.00 0.00 C ATOM 153 O ASP A 10 -5.786 4.546 -2.682 1.00 0.00 O ATOM 154 CB ASP A 10 -8.112 2.531 -3.429 1.00 0.00 C ATOM 155 CG ASP A 10 -8.502 1.204 -4.025 1.00 0.00 C ATOM 156 OD1 ASP A 10 -8.855 1.142 -5.184 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.407 0.305 -3.207 1.00 0.00 O ATOM 0 H ASP A 10 -5.724 1.927 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.742 3.989 -5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.573 2.345 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.022 3.070 -3.166 1.00 0.00 H new ATOM 162 N GLU A 11 -7.305 5.848 -3.623 1.00 0.00 N ATOM 163 CA GLU A 11 -6.893 7.087 -2.845 1.00 0.00 C ATOM 164 C GLU A 11 -8.034 7.665 -1.928 1.00 0.00 C ATOM 165 O GLU A 11 -7.996 7.557 -0.711 1.00 0.00 O ATOM 166 CB GLU A 11 -6.403 8.234 -3.880 1.00 0.00 C ATOM 167 CG GLU A 11 -7.219 8.264 -5.231 1.00 0.00 C ATOM 168 CD GLU A 11 -6.847 7.151 -6.180 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.720 7.089 -6.639 1.00 0.00 O ATOM 170 OE2 GLU A 11 -7.723 6.356 -6.445 1.00 0.00 O ATOM 0 H GLU A 11 -8.074 6.005 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.083 6.784 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.485 9.207 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.348 8.079 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.283 8.199 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.056 9.222 -5.724 1.00 0.00 H new ATOM 177 N GLY A 12 -9.039 8.272 -2.512 1.00 0.00 N ATOM 178 CA GLY A 12 -10.200 8.864 -1.731 1.00 0.00 C ATOM 179 C GLY A 12 -10.633 10.276 -2.159 1.00 0.00 C ATOM 180 O GLY A 12 -10.934 10.508 -3.307 1.00 0.00 O ATOM 0 H GLY A 12 -9.115 8.390 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.056 8.196 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.930 8.890 -0.675 1.00 0.00 H new ATOM 184 N THR A 13 -10.664 11.185 -1.231 1.00 0.00 N ATOM 185 CA THR A 13 -11.075 12.624 -1.517 1.00 0.00 C ATOM 186 C THR A 13 -9.948 13.623 -1.224 1.00 0.00 C ATOM 187 O THR A 13 -9.618 14.465 -2.034 1.00 0.00 O ATOM 188 CB THR A 13 -12.283 13.002 -0.654 1.00 0.00 C ATOM 189 OG1 THR A 13 -11.883 12.621 0.652 1.00 0.00 O ATOM 190 CG2 THR A 13 -13.451 12.061 -0.871 1.00 0.00 C ATOM 0 H THR A 13 -10.420 11.007 -0.257 1.00 0.00 H new ATOM 0 HA THR A 13 -11.318 12.676 -2.578 1.00 0.00 H new ATOM 0 HB THR A 13 -12.557 14.039 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.600 12.828 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.286 12.366 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.756 12.095 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.153 11.045 -0.613 1.00 0.00 H new ATOM 198 N CYS A 14 -9.428 13.500 -0.040 1.00 0.00 N ATOM 199 CA CYS A 14 -8.303 14.330 0.512 1.00 0.00 C ATOM 200 C CYS A 14 -7.385 15.147 -0.462 1.00 0.00 C ATOM 201 O CYS A 14 -6.276 14.762 -0.763 1.00 0.00 O ATOM 202 CB CYS A 14 -7.508 13.337 1.366 1.00 0.00 C ATOM 203 SG CYS A 14 -8.414 12.606 2.748 1.00 0.00 S ATOM 0 H CYS A 14 -9.761 12.802 0.625 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.744 15.172 1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.151 12.533 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.627 13.845 1.759 1.00 0.00 H new ATOM 208 N ARG A 15 -7.921 16.250 -0.909 1.00 0.00 N ATOM 209 CA ARG A 15 -7.273 17.238 -1.852 1.00 0.00 C ATOM 210 C ARG A 15 -5.735 17.177 -2.062 1.00 0.00 C ATOM 211 O ARG A 15 -5.242 17.267 -3.173 1.00 0.00 O ATOM 212 CB ARG A 15 -7.721 18.649 -1.328 1.00 0.00 C ATOM 213 CG ARG A 15 -6.832 19.816 -1.876 1.00 0.00 C ATOM 214 CD ARG A 15 -6.830 19.946 -3.395 1.00 0.00 C ATOM 215 NE ARG A 15 -8.090 20.694 -3.765 1.00 0.00 N ATOM 216 CZ ARG A 15 -8.963 20.213 -4.535 1.00 0.00 C ATOM 217 NH1 ARG A 15 -8.813 20.383 -5.765 1.00 0.00 N ATOM 218 NH2 ARG A 15 -9.916 19.603 -4.006 1.00 0.00 N ATOM 0 H ARG A 15 -8.862 16.535 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.611 16.987 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.758 18.824 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.686 18.654 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.179 20.755 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.808 19.667 -1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.946 20.484 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.809 18.964 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.239 21.625 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.004 20.897 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.500 20.008 -6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.963 19.512 -2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.648 19.196 -4.589 1.00 0.00 H new ATOM 232 N ASP A 16 -5.084 17.022 -0.960 1.00 0.00 N ATOM 233 CA ASP A 16 -3.598 16.946 -0.862 1.00 0.00 C ATOM 234 C ASP A 16 -3.031 15.476 -0.871 1.00 0.00 C ATOM 235 O ASP A 16 -2.376 14.974 0.024 1.00 0.00 O ATOM 236 CB ASP A 16 -3.356 17.785 0.429 1.00 0.00 C ATOM 237 CG ASP A 16 -4.155 19.076 0.343 1.00 0.00 C ATOM 238 OD1 ASP A 16 -3.697 19.961 -0.353 1.00 0.00 O ATOM 239 OD2 ASP A 16 -5.198 19.081 0.976 1.00 0.00 O ATOM 0 H ASP A 16 -5.549 16.938 -0.056 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.052 17.336 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.656 17.216 1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.295 18.007 0.539 1.00 0.00 H new ATOM 244 N PHE A 17 -3.338 14.823 -1.956 1.00 0.00 N ATOM 245 CA PHE A 17 -2.908 13.398 -2.203 1.00 0.00 C ATOM 246 C PHE A 17 -1.378 13.084 -2.023 1.00 0.00 C ATOM 247 O PHE A 17 -0.523 13.934 -2.161 1.00 0.00 O ATOM 248 CB PHE A 17 -3.356 13.027 -3.644 1.00 0.00 C ATOM 249 CG PHE A 17 -4.882 13.096 -3.779 1.00 0.00 C ATOM 250 CD1 PHE A 17 -5.515 14.296 -4.014 1.00 0.00 C ATOM 251 CD2 PHE A 17 -5.647 11.955 -3.659 1.00 0.00 C ATOM 252 CE1 PHE A 17 -6.887 14.358 -4.127 1.00 0.00 C ATOM 253 CE2 PHE A 17 -7.021 12.012 -3.772 1.00 0.00 C ATOM 254 CZ PHE A 17 -7.641 13.215 -4.005 1.00 0.00 C ATOM 0 H PHE A 17 -3.889 15.225 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.384 12.795 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.893 13.707 -4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.011 12.023 -3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.930 15.199 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.165 11.006 -3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.371 15.306 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.609 11.111 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.716 13.263 -4.092 1.00 0.00 H new ATOM 264 N ILE A 18 -1.050 11.849 -1.729 1.00 0.00 N ATOM 265 CA ILE A 18 0.403 11.452 -1.541 1.00 0.00 C ATOM 266 C ILE A 18 0.702 10.323 -2.554 1.00 0.00 C ATOM 267 O ILE A 18 -0.206 9.596 -2.910 1.00 0.00 O ATOM 268 CB ILE A 18 0.644 10.962 -0.034 1.00 0.00 C ATOM 269 CG1 ILE A 18 0.352 9.459 0.217 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.220 11.750 0.968 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.656 8.653 -0.029 1.00 0.00 C ATOM 0 H ILE A 18 -1.720 11.089 -1.609 1.00 0.00 H new ATOM 0 HA ILE A 18 1.071 12.295 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 18 1.709 11.141 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.000 9.307 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.439 9.111 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.028 11.388 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.029 12.810 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.274 11.611 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.467 7.593 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.986 8.800 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.432 8.999 0.654 1.00 0.00 H new ATOM 283 N LEU A 19 1.926 10.171 -2.983 1.00 0.00 N ATOM 284 CA LEU A 19 2.263 9.085 -3.986 1.00 0.00 C ATOM 285 C LEU A 19 2.810 7.725 -3.438 1.00 0.00 C ATOM 286 O LEU A 19 3.781 7.667 -2.707 1.00 0.00 O ATOM 287 CB LEU A 19 3.324 9.654 -5.008 1.00 0.00 C ATOM 288 CG LEU A 19 2.722 10.604 -6.116 1.00 0.00 C ATOM 289 CD1 LEU A 19 3.828 11.094 -7.056 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.736 9.864 -7.031 1.00 0.00 C ATOM 0 H LEU A 19 2.716 10.745 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 19 1.298 8.834 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.087 10.201 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.824 8.818 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 19 2.233 11.415 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.398 11.748 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.575 11.644 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.300 10.239 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.345 10.554 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.249 9.041 -7.529 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.912 9.470 -6.435 1.00 0.00 H new ATOM 302 N LYS A 20 2.199 6.638 -3.820 1.00 0.00 N ATOM 303 CA LYS A 20 2.616 5.244 -3.378 1.00 0.00 C ATOM 304 C LYS A 20 2.739 4.371 -4.672 1.00 0.00 C ATOM 305 O LYS A 20 2.517 4.888 -5.747 1.00 0.00 O ATOM 306 CB LYS A 20 1.516 4.671 -2.402 1.00 0.00 C ATOM 307 CG LYS A 20 1.796 4.879 -0.858 1.00 0.00 C ATOM 308 CD LYS A 20 2.845 3.824 -0.366 1.00 0.00 C ATOM 309 CE LYS A 20 2.829 3.517 1.152 1.00 0.00 C ATOM 310 NZ LYS A 20 3.865 2.450 1.430 1.00 0.00 N ATOM 0 H LYS A 20 1.393 6.644 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 20 3.568 5.248 -2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.561 5.137 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.407 3.603 -2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.168 5.888 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.869 4.776 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.678 2.893 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.841 4.176 -0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.049 4.418 1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.841 3.177 1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.004 2.360 2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.539 1.541 1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.765 2.714 0.980 1.00 0.00 H new ATOM 324 N TRP A 21 3.096 3.129 -4.555 1.00 0.00 N ATOM 325 CA TRP A 21 3.240 2.166 -5.694 1.00 0.00 C ATOM 326 C TRP A 21 2.253 1.041 -5.358 1.00 0.00 C ATOM 327 O TRP A 21 2.192 0.645 -4.217 1.00 0.00 O ATOM 328 CB TRP A 21 4.660 1.542 -5.761 1.00 0.00 C ATOM 329 CG TRP A 21 5.708 2.560 -6.180 1.00 0.00 C ATOM 330 CD1 TRP A 21 6.273 3.459 -5.347 1.00 0.00 C ATOM 331 CD2 TRP A 21 6.198 2.710 -7.422 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.091 4.125 -6.158 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.118 3.744 -7.426 1.00 0.00 C ATOM 334 CE3 TRP A 21 5.924 2.013 -8.598 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.771 4.094 -8.598 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.578 2.359 -9.777 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.502 3.401 -9.779 1.00 0.00 C ATOM 0 H TRP A 21 3.310 2.708 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 21 3.062 2.667 -6.646 1.00 0.00 H new ATOM 0 HB2 TRP A 21 4.922 1.131 -4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.658 0.711 -6.467 1.00 0.00 H new ATOM 0 HD1 TRP A 21 6.104 3.602 -4.290 1.00 0.00 H new ATOM 0 HE1 TRP A 21 7.670 4.893 -5.819 1.00 0.00 H new ATOM 0 HE3 TRP A 21 5.206 1.206 -8.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.487 4.902 -8.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.369 1.820 -10.689 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.009 3.672 -10.693 1.00 0.00 H new ATOM 348 N TYR A 22 1.513 0.549 -6.289 1.00 0.00 N ATOM 349 CA TYR A 22 0.550 -0.550 -5.975 1.00 0.00 C ATOM 350 C TYR A 22 0.846 -1.647 -7.018 1.00 0.00 C ATOM 351 O TYR A 22 1.349 -1.350 -8.089 1.00 0.00 O ATOM 352 CB TYR A 22 -0.887 0.026 -6.114 1.00 0.00 C ATOM 353 CG TYR A 22 -1.393 0.044 -7.568 1.00 0.00 C ATOM 354 CD1 TYR A 22 -1.109 1.066 -8.454 1.00 0.00 C ATOM 355 CD2 TYR A 22 -2.167 -1.008 -8.000 1.00 0.00 C ATOM 356 CE1 TYR A 22 -1.611 1.011 -9.750 1.00 0.00 C ATOM 357 CE2 TYR A 22 -2.659 -1.054 -9.290 1.00 0.00 C ATOM 358 CZ TYR A 22 -2.383 -0.041 -10.167 1.00 0.00 C ATOM 359 OH TYR A 22 -2.895 -0.060 -11.441 1.00 0.00 O ATOM 0 H TYR A 22 1.523 0.853 -7.263 1.00 0.00 H new ATOM 0 HA TYR A 22 0.641 -0.957 -4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.570 -0.567 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.905 1.041 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.501 1.902 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.394 -1.813 -7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.388 1.812 -10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.263 -1.891 -9.607 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.418 -0.879 -11.571 1.00 0.00 H new ATOM 369 N TYR A 23 0.546 -2.857 -6.684 1.00 0.00 N ATOM 370 CA TYR A 23 0.773 -3.990 -7.623 1.00 0.00 C ATOM 371 C TYR A 23 -0.398 -3.932 -8.633 1.00 0.00 C ATOM 372 O TYR A 23 -1.550 -3.909 -8.235 1.00 0.00 O ATOM 373 CB TYR A 23 0.744 -5.273 -6.811 1.00 0.00 C ATOM 374 CG TYR A 23 1.040 -6.425 -7.776 1.00 0.00 C ATOM 375 CD1 TYR A 23 2.313 -6.648 -8.245 1.00 0.00 C ATOM 376 CD2 TYR A 23 0.019 -7.242 -8.201 1.00 0.00 C ATOM 377 CE1 TYR A 23 2.554 -7.681 -9.133 1.00 0.00 C ATOM 378 CE2 TYR A 23 0.265 -8.272 -9.088 1.00 0.00 C ATOM 379 CZ TYR A 23 1.532 -8.492 -9.556 1.00 0.00 C ATOM 380 OH TYR A 23 1.766 -9.514 -10.444 1.00 0.00 O ATOM 0 H TYR A 23 0.145 -3.122 -5.784 1.00 0.00 H new ATOM 0 HA TYR A 23 1.726 -3.942 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.485 -5.240 -6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.229 -5.407 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.126 -6.016 -7.920 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.985 -7.077 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.557 -7.851 -9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.546 -8.906 -9.414 1.00 0.00 H new ATOM 0 HH TYR A 23 2.711 -9.511 -10.705 1.00 0.00 H new ATOM 390 N ASP A 24 -0.068 -3.922 -9.886 1.00 0.00 N ATOM 391 CA ASP A 24 -1.070 -3.858 -10.981 1.00 0.00 C ATOM 392 C ASP A 24 -1.260 -5.196 -11.779 1.00 0.00 C ATOM 393 O ASP A 24 -0.578 -5.419 -12.763 1.00 0.00 O ATOM 394 CB ASP A 24 -0.579 -2.696 -11.843 1.00 0.00 C ATOM 395 CG ASP A 24 -1.536 -2.379 -12.970 1.00 0.00 C ATOM 396 OD1 ASP A 24 -2.444 -3.148 -13.223 1.00 0.00 O ATOM 397 OD2 ASP A 24 -1.281 -1.344 -13.535 1.00 0.00 O ATOM 0 H ASP A 24 0.898 -3.957 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.077 -3.702 -10.595 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.449 -1.812 -11.219 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.399 -2.940 -12.257 1.00 0.00 H new ATOM 402 N PRO A 25 -2.156 -6.065 -11.364 1.00 0.00 N ATOM 403 CA PRO A 25 -2.556 -7.260 -12.172 1.00 0.00 C ATOM 404 C PRO A 25 -2.555 -7.095 -13.727 1.00 0.00 C ATOM 405 O PRO A 25 -2.231 -8.013 -14.467 1.00 0.00 O ATOM 406 CB PRO A 25 -3.940 -7.631 -11.552 1.00 0.00 C ATOM 407 CG PRO A 25 -4.279 -6.431 -10.613 1.00 0.00 C ATOM 408 CD PRO A 25 -2.917 -5.996 -10.088 1.00 0.00 C ATOM 0 HA PRO A 25 -1.816 -8.057 -12.103 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.699 -7.759 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.889 -8.568 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.777 -5.626 -11.154 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.945 -6.730 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.930 -4.995 -9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.524 -6.667 -9.324 1.00 0.00 H new ATOM 416 N ASN A 26 -2.897 -5.932 -14.219 1.00 0.00 N ATOM 417 CA ASN A 26 -2.925 -5.705 -15.711 1.00 0.00 C ATOM 418 C ASN A 26 -1.503 -5.899 -16.268 1.00 0.00 C ATOM 419 O ASN A 26 -1.262 -6.473 -17.316 1.00 0.00 O ATOM 420 CB ASN A 26 -3.438 -4.270 -15.969 1.00 0.00 C ATOM 421 CG ASN A 26 -4.829 -4.127 -15.408 1.00 0.00 C ATOM 422 OD1 ASN A 26 -5.790 -4.644 -15.922 1.00 0.00 O ATOM 423 ND2 ASN A 26 -5.025 -3.443 -14.347 1.00 0.00 N ATOM 0 H ASN A 26 -3.160 -5.123 -13.657 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.587 -6.413 -16.210 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.770 -3.544 -15.504 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.442 -4.060 -17.039 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.967 -3.351 -13.966 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.240 -2.989 -13.881 1.00 0.00 H new ATOM 430 N THR A 27 -0.568 -5.438 -15.498 1.00 0.00 N ATOM 431 CA THR A 27 0.887 -5.530 -15.887 1.00 0.00 C ATOM 432 C THR A 27 1.474 -6.801 -15.273 1.00 0.00 C ATOM 433 O THR A 27 1.985 -7.622 -16.004 1.00 0.00 O ATOM 434 CB THR A 27 1.670 -4.300 -15.344 1.00 0.00 C ATOM 435 OG1 THR A 27 1.660 -4.429 -13.932 1.00 0.00 O ATOM 436 CG2 THR A 27 0.899 -3.008 -15.516 1.00 0.00 C ATOM 0 H THR A 27 -0.738 -4.991 -14.597 1.00 0.00 H new ATOM 0 HA THR A 27 0.970 -5.552 -16.974 1.00 0.00 H new ATOM 0 HB THR A 27 2.636 -4.273 -15.849 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.144 -3.677 -13.531 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.486 -2.179 -15.122 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.700 -2.841 -16.575 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.045 -3.073 -14.975 1.00 0.00 H new ATOM 444 N LYS A 28 1.332 -6.893 -13.989 1.00 0.00 N ATOM 445 CA LYS A 28 1.753 -7.947 -13.016 1.00 0.00 C ATOM 446 C LYS A 28 3.070 -7.588 -12.312 1.00 0.00 C ATOM 447 O LYS A 28 3.845 -8.404 -11.848 1.00 0.00 O ATOM 448 CB LYS A 28 1.829 -9.342 -13.771 1.00 0.00 C ATOM 449 CG LYS A 28 0.356 -9.790 -13.975 1.00 0.00 C ATOM 450 CD LYS A 28 0.166 -10.744 -15.223 1.00 0.00 C ATOM 451 CE LYS A 28 0.405 -10.006 -16.542 1.00 0.00 C ATOM 452 NZ LYS A 28 -0.498 -8.810 -16.584 1.00 0.00 N ATOM 0 H LYS A 28 0.854 -6.141 -13.493 1.00 0.00 H new ATOM 0 HA LYS A 28 1.011 -8.019 -12.221 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.344 -9.243 -14.727 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.384 -10.075 -13.185 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.010 -10.303 -13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.272 -8.908 -14.100 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.855 -11.585 -15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.843 -11.157 -15.215 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.447 -9.697 -16.621 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.203 -10.664 -17.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.209 -8.938 -17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.977 -8.704 -15.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.064 -7.958 -16.782 1.00 0.00 H new ATOM 466 N SER A 29 3.242 -6.301 -12.266 1.00 0.00 N ATOM 467 CA SER A 29 4.413 -5.631 -11.639 1.00 0.00 C ATOM 468 C SER A 29 3.813 -4.493 -10.750 1.00 0.00 C ATOM 469 O SER A 29 2.683 -4.594 -10.314 1.00 0.00 O ATOM 470 CB SER A 29 5.305 -5.069 -12.756 1.00 0.00 C ATOM 471 OG SER A 29 6.400 -4.484 -12.048 1.00 0.00 O ATOM 0 H SER A 29 2.572 -5.644 -12.665 1.00 0.00 H new ATOM 0 HA SER A 29 5.027 -6.300 -11.036 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.640 -5.853 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.776 -4.330 -13.358 1.00 0.00 H new ATOM 0 HG SER A 29 7.033 -4.095 -12.687 1.00 0.00 H new ATOM 477 N CYS A 30 4.521 -3.430 -10.503 1.00 0.00 N ATOM 478 CA CYS A 30 3.991 -2.313 -9.646 1.00 0.00 C ATOM 479 C CYS A 30 4.056 -0.919 -10.314 1.00 0.00 C ATOM 480 O CYS A 30 4.983 -0.599 -11.031 1.00 0.00 O ATOM 481 CB CYS A 30 4.813 -2.394 -8.366 1.00 0.00 C ATOM 482 SG CYS A 30 4.784 -3.990 -7.519 1.00 0.00 S ATOM 0 H CYS A 30 5.464 -3.277 -10.861 1.00 0.00 H new ATOM 0 HA CYS A 30 2.923 -2.433 -9.462 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.848 -2.148 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.454 -1.630 -7.676 1.00 0.00 H new ATOM 487 N ALA A 31 3.073 -0.105 -10.061 1.00 0.00 N ATOM 488 CA ALA A 31 3.031 1.260 -10.651 1.00 0.00 C ATOM 489 C ALA A 31 2.662 2.285 -9.576 1.00 0.00 C ATOM 490 O ALA A 31 2.082 1.974 -8.560 1.00 0.00 O ATOM 491 CB ALA A 31 2.004 1.228 -11.792 1.00 0.00 C ATOM 0 H ALA A 31 2.282 -0.332 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 31 4.004 1.556 -11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.942 2.214 -12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.312 0.496 -12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.027 0.951 -11.395 1.00 0.00 H new ATOM 497 N ARG A 32 3.015 3.489 -9.847 1.00 0.00 N ATOM 498 CA ARG A 32 2.748 4.626 -8.929 1.00 0.00 C ATOM 499 C ARG A 32 1.354 5.292 -9.041 1.00 0.00 C ATOM 500 O ARG A 32 0.779 5.439 -10.101 1.00 0.00 O ATOM 501 CB ARG A 32 3.866 5.587 -9.220 1.00 0.00 C ATOM 502 CG ARG A 32 3.835 6.809 -8.249 1.00 0.00 C ATOM 503 CD ARG A 32 5.238 7.246 -7.868 1.00 0.00 C ATOM 504 NE ARG A 32 5.626 6.274 -6.786 1.00 0.00 N ATOM 505 CZ ARG A 32 5.825 6.636 -5.594 1.00 0.00 C ATOM 506 NH1 ARG A 32 6.935 7.107 -5.260 1.00 0.00 N ATOM 507 NH2 ARG A 32 4.868 6.492 -4.820 1.00 0.00 N ATOM 0 H ARG A 32 3.500 3.754 -10.704 1.00 0.00 H new ATOM 0 HA ARG A 32 2.720 4.272 -7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.823 5.073 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.788 5.937 -10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.309 7.639 -8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.276 6.548 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.919 7.194 -8.717 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.254 8.275 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 32 5.732 5.288 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.679 7.198 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.096 7.400 -4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.990 6.102 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.958 6.764 -3.841 1.00 0.00 H new ATOM 521 N PHE A 33 0.852 5.680 -7.907 1.00 0.00 N ATOM 522 CA PHE A 33 -0.494 6.348 -7.844 1.00 0.00 C ATOM 523 C PHE A 33 -0.654 7.362 -6.678 1.00 0.00 C ATOM 524 O PHE A 33 0.033 7.260 -5.677 1.00 0.00 O ATOM 525 CB PHE A 33 -1.529 5.202 -7.763 1.00 0.00 C ATOM 526 CG PHE A 33 -1.618 4.560 -6.367 1.00 0.00 C ATOM 527 CD1 PHE A 33 -0.645 3.704 -5.885 1.00 0.00 C ATOM 528 CD2 PHE A 33 -2.713 4.836 -5.573 1.00 0.00 C ATOM 529 CE1 PHE A 33 -0.780 3.139 -4.626 1.00 0.00 C ATOM 530 CE2 PHE A 33 -2.845 4.273 -4.323 1.00 0.00 C ATOM 531 CZ PHE A 33 -1.877 3.423 -3.850 1.00 0.00 C ATOM 0 H PHE A 33 1.314 5.566 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.637 6.968 -8.729 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.510 5.587 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.269 4.435 -8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.220 3.475 -6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.479 5.504 -5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.017 2.471 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.709 4.500 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.978 2.979 -2.871 1.00 0.00 H new ATOM 541 N TRP A 34 -1.552 8.300 -6.836 1.00 0.00 N ATOM 542 CA TRP A 34 -1.797 9.345 -5.761 1.00 0.00 C ATOM 543 C TRP A 34 -2.531 8.942 -4.432 1.00 0.00 C ATOM 544 O TRP A 34 -3.377 9.651 -3.932 1.00 0.00 O ATOM 545 CB TRP A 34 -2.579 10.483 -6.469 1.00 0.00 C ATOM 546 CG TRP A 34 -1.698 11.557 -7.072 1.00 0.00 C ATOM 547 CD1 TRP A 34 -1.860 11.897 -8.352 1.00 0.00 C ATOM 548 CD2 TRP A 34 -0.722 12.302 -6.502 1.00 0.00 C ATOM 549 NE1 TRP A 34 -0.965 12.852 -8.532 1.00 0.00 N ATOM 550 CE2 TRP A 34 -0.232 13.168 -7.478 1.00 0.00 C ATOM 551 CE3 TRP A 34 -0.180 12.360 -5.212 1.00 0.00 C ATOM 552 CZ2 TRP A 34 0.775 14.074 -7.187 1.00 0.00 C ATOM 553 CZ3 TRP A 34 0.831 13.274 -4.916 1.00 0.00 C ATOM 554 CH2 TRP A 34 1.310 14.130 -5.901 1.00 0.00 C ATOM 0 H TRP A 34 -2.137 8.399 -7.665 1.00 0.00 H new ATOM 0 HA TRP A 34 -0.811 9.602 -5.374 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -3.196 10.050 -7.256 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.257 10.945 -5.751 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -2.556 11.489 -9.070 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.846 13.318 -9.431 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.546 11.695 -4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.145 14.736 -7.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.243 13.317 -3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.094 14.836 -5.671 1.00 0.00 H new ATOM 565 N TYR A 35 -2.172 7.828 -3.880 1.00 0.00 N ATOM 566 CA TYR A 35 -2.762 7.283 -2.617 1.00 0.00 C ATOM 567 C TYR A 35 -3.451 8.248 -1.608 1.00 0.00 C ATOM 568 O TYR A 35 -4.563 8.030 -1.172 1.00 0.00 O ATOM 569 CB TYR A 35 -1.603 6.508 -1.957 1.00 0.00 C ATOM 570 CG TYR A 35 -2.032 5.954 -0.601 1.00 0.00 C ATOM 571 CD1 TYR A 35 -3.242 5.317 -0.459 1.00 0.00 C ATOM 572 CD2 TYR A 35 -1.214 6.088 0.497 1.00 0.00 C ATOM 573 CE1 TYR A 35 -3.627 4.827 0.762 1.00 0.00 C ATOM 574 CE2 TYR A 35 -1.604 5.592 1.723 1.00 0.00 C ATOM 575 CZ TYR A 35 -2.817 4.960 1.854 1.00 0.00 C ATOM 576 OH TYR A 35 -3.241 4.464 3.063 1.00 0.00 O ATOM 0 H TYR A 35 -1.446 7.229 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 35 -3.630 6.689 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.288 5.691 -2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -0.743 7.166 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.892 5.202 -1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.260 6.585 0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.581 4.330 0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.956 5.700 2.580 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.027 4.966 3.365 1.00 0.00 H new ATOM 586 N GLY A 36 -2.773 9.295 -1.229 1.00 0.00 N ATOM 587 CA GLY A 36 -3.407 10.265 -0.237 1.00 0.00 C ATOM 588 C GLY A 36 -3.330 9.799 1.223 1.00 0.00 C ATOM 589 O GLY A 36 -2.906 10.511 2.104 1.00 0.00 O ATOM 0 H GLY A 36 -1.832 9.534 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.915 11.233 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.453 10.413 -0.506 1.00 0.00 H new ATOM 593 N GLY A 37 -3.753 8.588 1.436 1.00 0.00 N ATOM 594 CA GLY A 37 -3.756 7.961 2.815 1.00 0.00 C ATOM 595 C GLY A 37 -5.155 7.451 3.117 1.00 0.00 C ATOM 596 O GLY A 37 -5.395 6.263 3.207 1.00 0.00 O ATOM 0 H GLY A 37 -4.110 7.978 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.038 7.142 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.451 8.693 3.563 1.00 0.00 H new ATOM 600 N CYS A 38 -5.981 8.438 3.246 1.00 0.00 N ATOM 601 CA CYS A 38 -7.444 8.364 3.541 1.00 0.00 C ATOM 602 C CYS A 38 -8.300 7.079 3.325 1.00 0.00 C ATOM 603 O CYS A 38 -8.693 6.474 4.301 1.00 0.00 O ATOM 604 CB CYS A 38 -7.975 9.581 2.769 1.00 0.00 C ATOM 605 SG CYS A 38 -7.187 11.113 3.320 1.00 0.00 S ATOM 0 H CYS A 38 -5.665 9.403 3.148 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.553 8.341 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.797 9.442 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.054 9.657 2.905 1.00 0.00 H new ATOM 610 N GLY A 39 -8.589 6.667 2.111 1.00 0.00 N ATOM 611 CA GLY A 39 -9.435 5.413 1.935 1.00 0.00 C ATOM 612 C GLY A 39 -9.086 4.410 0.841 1.00 0.00 C ATOM 613 O GLY A 39 -9.938 4.125 0.027 1.00 0.00 O ATOM 0 H GLY A 39 -8.291 7.122 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.422 4.877 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.462 5.735 1.765 1.00 0.00 H new ATOM 617 N GLY A 40 -7.887 3.896 0.826 1.00 0.00 N ATOM 618 CA GLY A 40 -7.497 2.886 -0.246 1.00 0.00 C ATOM 619 C GLY A 40 -7.066 1.519 0.303 1.00 0.00 C ATOM 620 O GLY A 40 -6.528 1.455 1.391 1.00 0.00 O ATOM 0 H GLY A 40 -7.152 4.119 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.342 2.744 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.682 3.300 -0.840 1.00 0.00 H new ATOM 624 N ASN A 41 -7.270 0.451 -0.422 1.00 0.00 N ATOM 625 CA ASN A 41 -6.861 -0.906 0.109 1.00 0.00 C ATOM 626 C ASN A 41 -5.339 -1.093 0.456 1.00 0.00 C ATOM 627 O ASN A 41 -4.491 -0.268 0.179 1.00 0.00 O ATOM 628 CB ASN A 41 -7.349 -1.933 -0.959 1.00 0.00 C ATOM 629 CG ASN A 41 -6.309 -2.154 -2.023 1.00 0.00 C ATOM 630 OD1 ASN A 41 -5.307 -2.777 -1.779 1.00 0.00 O ATOM 631 ND2 ASN A 41 -6.453 -1.693 -3.200 1.00 0.00 N ATOM 0 H ASN A 41 -7.696 0.447 -1.349 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.323 -1.049 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.583 -2.881 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.270 -1.573 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.732 -1.855 -3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.289 -1.161 -3.441 1.00 0.00 H new ATOM 638 N GLU A 42 -5.033 -2.180 1.087 1.00 0.00 N ATOM 639 CA GLU A 42 -3.654 -2.600 1.538 1.00 0.00 C ATOM 640 C GLU A 42 -2.469 -2.582 0.546 1.00 0.00 C ATOM 641 O GLU A 42 -1.330 -2.487 0.955 1.00 0.00 O ATOM 642 CB GLU A 42 -3.919 -3.981 2.175 1.00 0.00 C ATOM 643 CG GLU A 42 -4.603 -3.709 3.596 1.00 0.00 C ATOM 644 CD GLU A 42 -5.632 -2.580 3.578 1.00 0.00 C ATOM 645 OE1 GLU A 42 -6.701 -2.806 3.051 1.00 0.00 O ATOM 646 OE2 GLU A 42 -5.261 -1.533 4.078 1.00 0.00 O ATOM 0 H GLU A 42 -5.744 -2.867 1.337 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.253 -1.836 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.571 -4.581 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.989 -4.537 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.087 -4.624 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.827 -3.469 4.323 1.00 0.00 H new ATOM 653 N ASN A 43 -2.742 -2.661 -0.718 1.00 0.00 N ATOM 654 CA ASN A 43 -1.696 -2.650 -1.801 1.00 0.00 C ATOM 655 C ASN A 43 -1.108 -1.213 -1.999 1.00 0.00 C ATOM 656 O ASN A 43 -1.243 -0.553 -3.009 1.00 0.00 O ATOM 657 CB ASN A 43 -2.469 -3.234 -2.991 1.00 0.00 C ATOM 658 CG ASN A 43 -1.649 -3.363 -4.237 1.00 0.00 C ATOM 659 OD1 ASN A 43 -0.447 -3.417 -4.207 1.00 0.00 O ATOM 660 ND2 ASN A 43 -2.227 -3.428 -5.383 1.00 0.00 N ATOM 0 H ASN A 43 -3.694 -2.737 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.795 -3.230 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.853 -4.216 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.332 -2.601 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.668 -3.522 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.244 -3.385 -5.444 1.00 0.00 H new ATOM 667 N LYS A 44 -0.449 -0.793 -0.957 1.00 0.00 N ATOM 668 CA LYS A 44 0.209 0.568 -0.882 1.00 0.00 C ATOM 669 C LYS A 44 1.763 0.605 -0.592 1.00 0.00 C ATOM 670 O LYS A 44 2.176 0.759 0.548 1.00 0.00 O ATOM 671 CB LYS A 44 -0.484 1.422 0.251 1.00 0.00 C ATOM 672 CG LYS A 44 -1.997 1.180 0.531 1.00 0.00 C ATOM 673 CD LYS A 44 -2.159 1.663 2.029 1.00 0.00 C ATOM 674 CE LYS A 44 -3.577 1.771 2.639 1.00 0.00 C ATOM 675 NZ LYS A 44 -4.244 0.458 2.574 1.00 0.00 N ATOM 0 H LYS A 44 -0.328 -1.352 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 44 0.080 0.964 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.059 1.247 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.356 2.475 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.630 1.751 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.267 0.131 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.583 0.983 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.692 2.644 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.514 2.108 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.161 2.514 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.263 0.594 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.845 -0.096 1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.095 -0.052 3.468 1.00 0.00 H new ATOM 689 N PHE A 45 2.625 0.508 -1.560 1.00 0.00 N ATOM 690 CA PHE A 45 4.115 0.537 -1.288 1.00 0.00 C ATOM 691 C PHE A 45 4.829 1.903 -1.548 1.00 0.00 C ATOM 692 O PHE A 45 4.447 2.683 -2.386 1.00 0.00 O ATOM 693 CB PHE A 45 4.729 -0.561 -2.155 1.00 0.00 C ATOM 694 CG PHE A 45 3.975 -1.868 -1.868 1.00 0.00 C ATOM 695 CD1 PHE A 45 4.332 -2.649 -0.796 1.00 0.00 C ATOM 696 CD2 PHE A 45 2.928 -2.277 -2.672 1.00 0.00 C ATOM 697 CE1 PHE A 45 3.662 -3.821 -0.521 1.00 0.00 C ATOM 698 CE2 PHE A 45 2.258 -3.448 -2.400 1.00 0.00 C ATOM 699 CZ PHE A 45 2.622 -4.220 -1.327 1.00 0.00 C ATOM 0 H PHE A 45 2.374 0.408 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 45 4.261 0.378 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.653 -0.301 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.790 -0.676 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.149 -2.340 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.634 -1.674 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.953 -4.425 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.442 -3.760 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.094 -5.138 -1.116 1.00 0.00 H new ATOM 709 N GLY A 46 5.861 2.218 -0.827 1.00 0.00 N ATOM 710 CA GLY A 46 6.626 3.519 -0.999 1.00 0.00 C ATOM 711 C GLY A 46 7.462 3.497 -2.275 1.00 0.00 C ATOM 712 O GLY A 46 7.640 4.498 -2.948 1.00 0.00 O ATOM 0 H GLY A 46 6.234 1.616 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.927 4.354 -1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.274 3.680 -0.138 1.00 0.00 H new ATOM 716 N SER A 47 7.967 2.342 -2.586 1.00 0.00 N ATOM 717 CA SER A 47 8.814 2.145 -3.816 1.00 0.00 C ATOM 718 C SER A 47 8.479 0.895 -4.641 1.00 0.00 C ATOM 719 O SER A 47 8.119 -0.104 -4.065 1.00 0.00 O ATOM 720 CB SER A 47 10.276 1.980 -3.468 1.00 0.00 C ATOM 721 OG SER A 47 10.694 3.033 -2.605 1.00 0.00 O ATOM 0 H SER A 47 7.831 1.497 -2.032 1.00 0.00 H new ATOM 0 HA SER A 47 8.602 3.045 -4.394 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.436 1.017 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.877 1.984 -4.377 1.00 0.00 H new ATOM 0 HG SER A 47 11.517 3.435 -2.954 1.00 0.00 H new ATOM 727 N GLN A 48 8.601 0.919 -5.945 1.00 0.00 N ATOM 728 CA GLN A 48 8.293 -0.320 -6.763 1.00 0.00 C ATOM 729 C GLN A 48 8.888 -1.564 -6.031 1.00 0.00 C ATOM 730 O GLN A 48 8.252 -2.543 -5.709 1.00 0.00 O ATOM 731 CB GLN A 48 8.942 -0.126 -8.153 1.00 0.00 C ATOM 732 CG GLN A 48 8.852 -1.459 -8.995 1.00 0.00 C ATOM 733 CD GLN A 48 9.950 -1.505 -10.046 1.00 0.00 C ATOM 734 OE1 GLN A 48 10.051 -0.685 -10.926 1.00 0.00 O ATOM 735 NE2 GLN A 48 10.826 -2.440 -10.020 1.00 0.00 N ATOM 0 H GLN A 48 8.898 1.732 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 48 7.221 -0.476 -6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.441 0.682 -8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.985 0.168 -8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.939 -2.320 -8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.877 -1.525 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.785 -3.158 -9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.565 -2.467 -10.723 1.00 0.00 H new ATOM 744 N LYS A 49 10.157 -1.425 -5.790 1.00 0.00 N ATOM 745 CA LYS A 49 10.986 -2.465 -5.092 1.00 0.00 C ATOM 746 C LYS A 49 10.507 -3.003 -3.720 1.00 0.00 C ATOM 747 O LYS A 49 11.090 -3.902 -3.149 1.00 0.00 O ATOM 748 CB LYS A 49 12.427 -1.882 -4.927 1.00 0.00 C ATOM 749 CG LYS A 49 12.315 -0.550 -4.089 1.00 0.00 C ATOM 750 CD LYS A 49 13.679 -0.187 -3.414 1.00 0.00 C ATOM 751 CE LYS A 49 13.661 1.206 -2.720 1.00 0.00 C ATOM 752 NZ LYS A 49 12.602 1.230 -1.652 1.00 0.00 N ATOM 0 H LYS A 49 10.686 -0.595 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 49 10.912 -3.342 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.073 -2.599 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.873 -1.684 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.000 0.266 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.547 -0.663 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.928 -0.951 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.466 -0.202 -4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.637 1.417 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.466 1.986 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.928 1.997 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.098 0.320 -1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.047 1.390 -0.726 1.00 0.00 H new ATOM 766 N GLU A 50 9.472 -2.421 -3.222 1.00 0.00 N ATOM 767 CA GLU A 50 8.855 -2.783 -1.934 1.00 0.00 C ATOM 768 C GLU A 50 7.731 -3.736 -2.387 1.00 0.00 C ATOM 769 O GLU A 50 7.634 -4.883 -2.002 1.00 0.00 O ATOM 770 CB GLU A 50 8.460 -1.445 -1.386 1.00 0.00 C ATOM 771 CG GLU A 50 7.902 -1.413 0.067 1.00 0.00 C ATOM 772 CD GLU A 50 7.356 -0.020 0.361 1.00 0.00 C ATOM 773 OE1 GLU A 50 8.027 0.924 -0.026 1.00 0.00 O ATOM 774 OE2 GLU A 50 6.291 0.095 0.944 1.00 0.00 O ATOM 0 H GLU A 50 8.995 -1.652 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 50 9.416 -3.291 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.331 -0.791 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.707 -1.017 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.115 -2.158 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.689 -1.666 0.778 1.00 0.00 H new ATOM 781 N CYS A 51 6.930 -3.172 -3.245 1.00 0.00 N ATOM 782 CA CYS A 51 5.759 -3.876 -3.854 1.00 0.00 C ATOM 783 C CYS A 51 6.160 -5.199 -4.554 1.00 0.00 C ATOM 784 O CYS A 51 5.600 -6.253 -4.308 1.00 0.00 O ATOM 785 CB CYS A 51 5.130 -2.907 -4.851 1.00 0.00 C ATOM 786 SG CYS A 51 3.759 -3.525 -5.849 1.00 0.00 S ATOM 0 H CYS A 51 7.042 -2.210 -3.565 1.00 0.00 H new ATOM 0 HA CYS A 51 5.054 -4.158 -3.072 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.780 -2.035 -4.299 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.912 -2.563 -5.528 1.00 0.00 H new ATOM 791 N GLU A 52 7.149 -5.157 -5.414 1.00 0.00 N ATOM 792 CA GLU A 52 7.543 -6.429 -6.112 1.00 0.00 C ATOM 793 C GLU A 52 7.913 -7.493 -5.078 1.00 0.00 C ATOM 794 O GLU A 52 7.515 -8.632 -5.150 1.00 0.00 O ATOM 795 CB GLU A 52 8.707 -6.043 -7.059 1.00 0.00 C ATOM 796 CG GLU A 52 10.117 -6.112 -6.373 1.00 0.00 C ATOM 797 CD GLU A 52 11.209 -5.345 -7.120 1.00 0.00 C ATOM 798 OE1 GLU A 52 10.924 -4.505 -7.940 1.00 0.00 O ATOM 799 OE2 GLU A 52 12.319 -5.677 -6.761 1.00 0.00 O ATOM 0 H GLU A 52 7.688 -4.327 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 52 6.736 -6.870 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.698 -6.708 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.542 -5.032 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.037 -5.716 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.416 -7.156 -6.285 1.00 0.00 H new ATOM 806 N LYS A 53 8.661 -7.083 -4.110 1.00 0.00 N ATOM 807 CA LYS A 53 9.082 -8.048 -3.041 1.00 0.00 C ATOM 808 C LYS A 53 7.902 -8.625 -2.202 1.00 0.00 C ATOM 809 O LYS A 53 8.103 -9.492 -1.376 1.00 0.00 O ATOM 810 CB LYS A 53 10.120 -7.290 -2.151 1.00 0.00 C ATOM 811 CG LYS A 53 11.512 -8.002 -2.272 1.00 0.00 C ATOM 812 CD LYS A 53 12.632 -6.937 -2.454 1.00 0.00 C ATOM 813 CE LYS A 53 12.480 -6.211 -3.794 1.00 0.00 C ATOM 814 NZ LYS A 53 12.790 -7.160 -4.894 1.00 0.00 N ATOM 0 H LYS A 53 9.006 -6.129 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 53 9.519 -8.934 -3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.200 -6.250 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.790 -7.282 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.705 -8.598 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.508 -8.688 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.590 -6.216 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.609 -7.418 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.465 -5.828 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.151 -5.353 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.923 -6.633 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.661 -7.681 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.004 -7.831 -5.005 1.00 0.00 H new ATOM 828 N VAL A 54 6.723 -8.124 -2.438 1.00 0.00 N ATOM 829 CA VAL A 54 5.490 -8.577 -1.722 1.00 0.00 C ATOM 830 C VAL A 54 4.542 -9.351 -2.685 1.00 0.00 C ATOM 831 O VAL A 54 3.993 -10.370 -2.314 1.00 0.00 O ATOM 832 CB VAL A 54 4.886 -7.288 -1.153 1.00 0.00 C ATOM 833 CG1 VAL A 54 3.524 -7.572 -0.506 1.00 0.00 C ATOM 834 CG2 VAL A 54 5.816 -6.764 -0.041 1.00 0.00 C ATOM 0 H VAL A 54 6.554 -7.389 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 54 5.687 -9.290 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 54 4.771 -6.568 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.110 -6.646 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.844 -7.981 -1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.649 -8.291 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.402 -5.846 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.902 -7.514 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.803 -6.561 -0.457 1.00 0.00 H new ATOM 844 N CYS A 55 4.377 -8.847 -3.881 1.00 0.00 N ATOM 845 CA CYS A 55 3.486 -9.514 -4.907 1.00 0.00 C ATOM 846 C CYS A 55 4.188 -10.217 -6.114 1.00 0.00 C ATOM 847 O CYS A 55 3.552 -10.911 -6.887 1.00 0.00 O ATOM 848 CB CYS A 55 2.501 -8.431 -5.401 1.00 0.00 C ATOM 849 SG CYS A 55 1.205 -7.966 -4.229 1.00 0.00 S ATOM 0 H CYS A 55 4.824 -7.989 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 55 3.001 -10.352 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.070 -7.538 -5.660 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.028 -8.785 -6.317 1.00 0.00 H new ATOM 854 N ALA A 56 5.471 -10.041 -6.280 1.00 0.00 N ATOM 855 CA ALA A 56 6.202 -10.702 -7.421 1.00 0.00 C ATOM 856 C ALA A 56 6.881 -12.039 -6.938 1.00 0.00 C ATOM 857 O ALA A 56 6.860 -12.346 -5.762 1.00 0.00 O ATOM 858 CB ALA A 56 7.240 -9.674 -7.920 1.00 0.00 C ATOM 0 H ALA A 56 6.056 -9.465 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 56 5.526 -10.981 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.803 -10.099 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.727 -8.772 -8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.924 -9.424 -7.109 1.00 0.00 H new ATOM 864 N PRO A 57 7.462 -12.810 -7.832 1.00 0.00 N ATOM 865 CA PRO A 57 8.279 -13.998 -7.444 1.00 0.00 C ATOM 866 C PRO A 57 9.823 -13.756 -7.423 1.00 0.00 C ATOM 867 O PRO A 57 10.319 -12.785 -7.969 1.00 0.00 O ATOM 868 CB PRO A 57 7.793 -15.006 -8.468 1.00 0.00 C ATOM 869 CG PRO A 57 7.742 -14.133 -9.776 1.00 0.00 C ATOM 870 CD PRO A 57 7.383 -12.681 -9.310 1.00 0.00 C ATOM 0 HA PRO A 57 8.144 -14.319 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.475 -15.851 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.816 -15.413 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.700 -14.151 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.995 -14.516 -10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.086 -11.942 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.390 -12.379 -9.642 1.00 0.00 H new ATOM 878 N VAL A 58 10.490 -14.670 -6.784 1.00 0.00 N ATOM 879 CA VAL A 58 11.978 -14.679 -6.618 1.00 0.00 C ATOM 880 C VAL A 58 12.481 -16.146 -6.684 1.00 0.00 C ATOM 881 O VAL A 58 11.635 -17.032 -6.652 1.00 0.00 O ATOM 882 CB VAL A 58 12.356 -14.029 -5.225 1.00 0.00 C ATOM 883 CG1 VAL A 58 12.092 -12.515 -5.259 1.00 0.00 C ATOM 884 CG2 VAL A 58 11.467 -14.607 -4.107 1.00 0.00 C ATOM 885 OXT VAL A 58 13.689 -16.299 -6.757 1.00 0.00 O ATOM 0 H VAL A 58 10.035 -15.467 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 58 12.449 -14.101 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 58 13.408 -14.241 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.355 -12.078 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.696 -12.058 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.037 -12.334 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.738 -14.151 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.421 -14.394 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.613 -15.686 -4.047 1.00 0.00 H new TER 895 VAL A 58