USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 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 THR OG1 : rot -135:sc= 0.677 USER MOD Set 1.2: A 49 THR OG1 : rot -162:sc= 0.615 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00126 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.644 K(o=0.64,f=-4.7!) USER MOD Single : A 21 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.46) USER MOD Single : A 24 SER OG : rot 100:sc= 0.0505 USER MOD Single : A 26 HIS : no HE2:sc= 0.194 K(o=0.19,f=-3.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.139 K(o=0.14,f=-7!) USER MOD Single : A 39 GLN : amide:sc= -0.812 X(o=-0.81,f=-0.45) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -12.802 -0.629 -0.077 1.00 0.00 N ATOM 29 CA CYS A 3 -11.537 -1.331 0.013 1.00 0.00 C ATOM 30 C CYS A 3 -11.513 -2.523 -0.947 1.00 0.00 C ATOM 31 O CYS A 3 -11.809 -3.651 -0.548 1.00 0.00 O ATOM 32 CB CYS A 3 -11.304 -1.774 1.456 1.00 0.00 C ATOM 33 SG CYS A 3 -12.754 -2.409 2.341 1.00 0.00 S ATOM 0 HA CYS A 3 -10.729 -0.661 -0.280 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.536 -2.547 1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.905 -0.927 2.014 1.00 0.00 H new ATOM 38 N PRO A 4 -11.160 -2.283 -2.216 1.00 0.00 N ATOM 39 CA PRO A 4 -11.007 -3.319 -3.226 1.00 0.00 C ATOM 40 C PRO A 4 -9.696 -4.082 -3.025 1.00 0.00 C ATOM 41 O PRO A 4 -8.918 -3.769 -2.121 1.00 0.00 O ATOM 42 CB PRO A 4 -11.006 -2.564 -4.555 1.00 0.00 C ATOM 43 CG PRO A 4 -10.339 -1.241 -4.186 1.00 0.00 C ATOM 44 CD PRO A 4 -10.875 -0.976 -2.781 1.00 0.00 C ATOM 0 HA PRO A 4 -11.800 -4.065 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.449 -3.098 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.016 -2.416 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.252 -1.319 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -10.609 -0.444 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.143 -0.440 -2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.773 -0.360 -2.814 1.00 0.00 H new ATOM 52 N THR A 5 -9.454 -5.087 -3.873 1.00 0.00 N ATOM 53 CA THR A 5 -8.247 -5.901 -3.810 1.00 0.00 C ATOM 54 C THR A 5 -7.502 -5.841 -5.141 1.00 0.00 C ATOM 55 O THR A 5 -8.097 -6.072 -6.193 1.00 0.00 O ATOM 56 CB THR A 5 -8.612 -7.351 -3.477 1.00 0.00 C ATOM 57 OG1 THR A 5 -9.454 -7.393 -2.346 1.00 0.00 O ATOM 58 CG2 THR A 5 -7.359 -8.171 -3.179 1.00 0.00 C ATOM 0 H THR A 5 -10.093 -5.355 -4.621 1.00 0.00 H new ATOM 0 HA THR A 5 -7.598 -5.510 -3.027 1.00 0.00 H new ATOM 0 HB THR A 5 -9.125 -7.772 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.683 -8.324 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.643 -9.197 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.704 -8.165 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.834 -7.737 -2.328 1.00 0.00 H new ATOM 66 N ARG A 6 -6.201 -5.532 -5.094 1.00 0.00 N ATOM 67 CA ARG A 6 -5.339 -5.470 -6.273 1.00 0.00 C ATOM 68 C ARG A 6 -3.950 -5.987 -5.906 1.00 0.00 C ATOM 69 O ARG A 6 -3.484 -5.763 -4.787 1.00 0.00 O ATOM 70 CB ARG A 6 -5.231 -4.021 -6.756 1.00 0.00 C ATOM 71 CG ARG A 6 -6.566 -3.431 -7.214 1.00 0.00 C ATOM 72 CD ARG A 6 -7.063 -4.119 -8.482 1.00 0.00 C ATOM 73 NE ARG A 6 -8.321 -3.527 -8.950 1.00 0.00 N ATOM 74 CZ ARG A 6 -9.025 -3.986 -9.987 1.00 0.00 C ATOM 75 NH1 ARG A 6 -8.614 -5.050 -10.676 1.00 0.00 N ATOM 76 NH2 ARG A 6 -10.151 -3.378 -10.342 1.00 0.00 N ATOM 0 H ARG A 6 -5.714 -5.316 -4.224 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.763 -6.084 -7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.828 -3.407 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.519 -3.973 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.307 -3.541 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.452 -2.363 -7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.307 -4.037 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.208 -5.182 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.681 -2.713 -8.451 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.751 -5.525 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.163 -5.389 -11.466 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.476 -2.562 -9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.691 -3.727 -11.134 1.00 0.00 H new ATOM 90 N ARG A 7 -3.282 -6.669 -6.840 1.00 0.00 N ATOM 91 CA ARG A 7 -1.966 -7.258 -6.592 1.00 0.00 C ATOM 92 C ARG A 7 -0.976 -6.958 -7.717 1.00 0.00 C ATOM 93 O ARG A 7 0.231 -6.984 -7.492 1.00 0.00 O ATOM 94 CB ARG A 7 -2.112 -8.783 -6.465 1.00 0.00 C ATOM 95 CG ARG A 7 -3.108 -9.251 -5.393 1.00 0.00 C ATOM 96 CD ARG A 7 -2.724 -8.809 -3.978 1.00 0.00 C ATOM 97 NE ARG A 7 -1.366 -9.234 -3.615 1.00 0.00 N ATOM 98 CZ ARG A 7 -0.386 -8.396 -3.268 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.593 -7.083 -3.209 1.00 0.00 N ATOM 100 NH2 ARG A 7 0.820 -8.869 -2.976 1.00 0.00 N ATOM 0 H ARG A 7 -3.636 -6.827 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.579 -6.819 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.423 -9.185 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.134 -9.210 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.098 -8.862 -5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.177 -10.338 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.795 -7.724 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.436 -9.223 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.158 -10.233 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.512 -6.701 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.168 -6.458 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.998 -9.873 -3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.568 -8.229 -2.711 1.00 0.00 H new ATOM 114 N GLY A 8 -1.482 -6.678 -8.926 1.00 0.00 N ATOM 115 CA GLY A 8 -0.668 -6.499 -10.124 1.00 0.00 C ATOM 116 C GLY A 8 -0.392 -5.035 -10.463 1.00 0.00 C ATOM 117 O GLY A 8 -0.008 -4.736 -11.592 1.00 0.00 O ATOM 0 H GLY A 8 -2.482 -6.569 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.281 -7.017 -9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.171 -6.970 -10.969 1.00 0.00 H new ATOM 121 N LEU A 9 -0.583 -4.123 -9.505 1.00 0.00 N ATOM 122 CA LEU A 9 -0.441 -2.694 -9.749 1.00 0.00 C ATOM 123 C LEU A 9 0.953 -2.319 -10.252 1.00 0.00 C ATOM 124 O LEU A 9 1.100 -1.309 -10.935 1.00 0.00 O ATOM 125 CB LEU A 9 -0.748 -1.948 -8.451 1.00 0.00 C ATOM 126 CG LEU A 9 -2.192 -2.168 -7.990 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.385 -1.520 -6.627 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.183 -1.542 -8.971 1.00 0.00 C ATOM 0 H LEU A 9 -0.839 -4.358 -8.546 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.142 -2.411 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.064 -2.281 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.572 -0.882 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.376 -3.241 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.411 -1.673 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.699 -1.970 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.183 -0.451 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.200 -1.713 -8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.998 -0.470 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.058 -1.996 -9.954 1.00 0.00 H new ATOM 140 N CYS A 10 1.973 -3.118 -9.928 1.00 0.00 N ATOM 141 CA CYS A 10 3.333 -2.839 -10.363 1.00 0.00 C ATOM 142 C CYS A 10 3.568 -3.265 -11.816 1.00 0.00 C ATOM 143 O CYS A 10 4.691 -3.174 -12.311 1.00 0.00 O ATOM 144 CB CYS A 10 4.315 -3.513 -9.406 1.00 0.00 C ATOM 145 SG CYS A 10 4.347 -2.783 -7.749 1.00 0.00 S ATOM 0 H CYS A 10 1.877 -3.963 -9.365 1.00 0.00 H new ATOM 0 HA CYS A 10 3.497 -1.762 -10.336 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.058 -4.569 -9.322 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.316 -3.462 -9.834 1.00 0.00 H new ATOM 150 N VAL A 11 2.517 -3.727 -12.504 1.00 0.00 N ATOM 151 CA VAL A 11 2.599 -4.144 -13.900 1.00 0.00 C ATOM 152 C VAL A 11 1.552 -3.429 -14.752 1.00 0.00 C ATOM 153 O VAL A 11 1.748 -3.272 -15.958 1.00 0.00 O ATOM 154 CB VAL A 11 2.417 -5.665 -13.986 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.579 -6.161 -15.421 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.457 -6.376 -13.121 1.00 0.00 C ATOM 0 H VAL A 11 1.584 -3.821 -12.102 1.00 0.00 H new ATOM 0 HA VAL A 11 3.580 -3.873 -14.291 1.00 0.00 H new ATOM 0 HB VAL A 11 1.410 -5.889 -13.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.445 -7.242 -15.450 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.832 -5.686 -16.057 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.576 -5.910 -15.782 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.314 -7.454 -13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.457 -6.118 -13.469 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.342 -6.063 -12.083 1.00 0.00 H new ATOM 166 N THR A 12 0.446 -2.990 -14.142 1.00 0.00 N ATOM 167 CA THR A 12 -0.616 -2.303 -14.864 1.00 0.00 C ATOM 168 C THR A 12 -0.388 -0.795 -14.913 1.00 0.00 C ATOM 169 O THR A 12 -1.020 -0.103 -15.716 1.00 0.00 O ATOM 170 CB THR A 12 -1.968 -2.614 -14.220 1.00 0.00 C ATOM 171 OG1 THR A 12 -1.953 -2.234 -12.861 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.288 -4.102 -14.310 1.00 0.00 C ATOM 0 H THR A 12 0.268 -3.102 -13.144 1.00 0.00 H new ATOM 0 HA THR A 12 -0.610 -2.667 -15.891 1.00 0.00 H new ATOM 0 HB THR A 12 -2.732 -2.053 -14.759 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.822 -2.434 -12.456 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.255 -4.295 -13.845 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.322 -4.404 -15.357 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.516 -4.672 -13.793 1.00 0.00 H new ATOM 180 N SER A 13 0.506 -0.275 -14.068 1.00 0.00 N ATOM 181 CA SER A 13 0.841 1.144 -14.051 1.00 0.00 C ATOM 182 C SER A 13 2.240 1.378 -13.494 1.00 0.00 C ATOM 183 O SER A 13 2.962 2.262 -13.959 1.00 0.00 O ATOM 184 CB SER A 13 -0.160 1.864 -13.150 1.00 0.00 C ATOM 185 OG SER A 13 0.021 3.263 -13.229 1.00 0.00 O ATOM 0 H SER A 13 1.015 -0.828 -13.379 1.00 0.00 H new ATOM 0 HA SER A 13 0.805 1.521 -15.073 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.177 1.606 -13.446 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.034 1.533 -12.119 1.00 0.00 H new ATOM 0 HG SER A 13 -0.629 3.710 -12.647 1.00 0.00 H new ATOM 191 N GLY A 14 2.623 0.581 -12.495 1.00 0.00 N ATOM 192 CA GLY A 14 3.926 0.671 -11.855 1.00 0.00 C ATOM 193 C GLY A 14 3.792 0.995 -10.372 1.00 0.00 C ATOM 194 O GLY A 14 2.711 0.889 -9.796 1.00 0.00 O ATOM 0 H GLY A 14 2.027 -0.151 -12.107 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.460 -0.272 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.522 1.441 -12.345 1.00 0.00 H new ATOM 198 N LEU A 15 4.901 1.398 -9.747 1.00 0.00 N ATOM 199 CA LEU A 15 4.938 1.684 -8.320 1.00 0.00 C ATOM 200 C LEU A 15 3.975 2.806 -7.943 1.00 0.00 C ATOM 201 O LEU A 15 3.493 2.849 -6.812 1.00 0.00 O ATOM 202 CB LEU A 15 6.381 2.055 -7.954 1.00 0.00 C ATOM 203 CG LEU A 15 6.528 2.489 -6.494 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.113 1.366 -5.543 1.00 0.00 C ATOM 205 CD2 LEU A 15 7.988 2.852 -6.223 1.00 0.00 C ATOM 0 H LEU A 15 5.795 1.534 -10.220 1.00 0.00 H new ATOM 0 HA LEU A 15 4.618 0.804 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.030 1.200 -8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.720 2.861 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 15 5.881 3.349 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.227 1.701 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.071 1.101 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.744 0.494 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.099 3.162 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.620 1.984 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.288 3.669 -6.879 1.00 0.00 H new ATOM 217 N THR A 16 3.680 3.722 -8.868 1.00 0.00 N ATOM 218 CA THR A 16 2.812 4.856 -8.575 1.00 0.00 C ATOM 219 C THR A 16 1.406 4.388 -8.206 1.00 0.00 C ATOM 220 O THR A 16 0.798 4.952 -7.300 1.00 0.00 O ATOM 221 CB THR A 16 2.762 5.799 -9.778 1.00 0.00 C ATOM 222 OG1 THR A 16 4.076 6.115 -10.189 1.00 0.00 O ATOM 223 CG2 THR A 16 2.037 7.096 -9.421 1.00 0.00 C ATOM 0 H THR A 16 4.031 3.697 -9.825 1.00 0.00 H new ATOM 0 HA THR A 16 3.223 5.392 -7.720 1.00 0.00 H new ATOM 0 HB THR A 16 2.224 5.297 -10.582 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.041 6.718 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.014 7.751 -10.292 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.017 6.869 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.562 7.594 -8.606 1.00 0.00 H new ATOM 231 N ALA A 17 0.882 3.365 -8.888 1.00 0.00 N ATOM 232 CA ALA A 17 -0.448 2.866 -8.574 1.00 0.00 C ATOM 233 C ALA A 17 -0.411 1.986 -7.327 1.00 0.00 C ATOM 234 O ALA A 17 -1.399 1.903 -6.601 1.00 0.00 O ATOM 235 CB ALA A 17 -0.996 2.097 -9.771 1.00 0.00 C ATOM 0 H ALA A 17 1.355 2.877 -9.649 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.108 3.707 -8.364 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.993 1.722 -9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.051 2.759 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.337 1.259 -9.998 1.00 0.00 H new ATOM 241 N CYS A 18 0.725 1.329 -7.073 1.00 0.00 N ATOM 242 CA CYS A 18 0.890 0.510 -5.886 1.00 0.00 C ATOM 243 C CYS A 18 0.969 1.399 -4.648 1.00 0.00 C ATOM 244 O CYS A 18 0.518 1.007 -3.573 1.00 0.00 O ATOM 245 CB CYS A 18 2.151 -0.337 -6.058 1.00 0.00 C ATOM 246 SG CYS A 18 2.585 -1.357 -4.625 1.00 0.00 S ATOM 0 H CYS A 18 1.543 1.354 -7.682 1.00 0.00 H new ATOM 0 HA CYS A 18 0.036 -0.154 -5.753 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.019 -0.988 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.988 0.325 -6.282 1.00 0.00 H new ATOM 251 N ARG A 19 1.539 2.601 -4.791 1.00 0.00 N ATOM 252 CA ARG A 19 1.668 3.541 -3.686 1.00 0.00 C ATOM 253 C ARG A 19 0.349 4.255 -3.427 1.00 0.00 C ATOM 254 O ARG A 19 0.043 4.601 -2.289 1.00 0.00 O ATOM 255 CB ARG A 19 2.778 4.536 -4.026 1.00 0.00 C ATOM 256 CG ARG A 19 3.268 5.256 -2.769 1.00 0.00 C ATOM 257 CD ARG A 19 4.384 6.234 -3.128 1.00 0.00 C ATOM 258 NE ARG A 19 4.945 6.860 -1.925 1.00 0.00 N ATOM 259 CZ ARG A 19 5.325 8.137 -1.832 1.00 0.00 C ATOM 260 NH1 ARG A 19 5.225 8.962 -2.873 1.00 0.00 N ATOM 261 NH2 ARG A 19 5.810 8.596 -0.683 1.00 0.00 N ATOM 0 H ARG A 19 1.920 2.943 -5.673 1.00 0.00 H new ATOM 0 HA ARG A 19 1.926 3.006 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.610 4.012 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.410 5.265 -4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.442 5.791 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.630 4.529 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.171 5.709 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.996 7.004 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 19 5.053 6.275 -1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.853 8.622 -3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.520 9.934 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.890 7.974 0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.102 9.570 -0.606 1.00 0.00 H new ATOM 275 N ASN A 20 -0.439 4.477 -4.479 1.00 0.00 N ATOM 276 CA ASN A 20 -1.744 5.111 -4.345 1.00 0.00 C ATOM 277 C ASN A 20 -2.777 4.121 -3.803 1.00 0.00 C ATOM 278 O ASN A 20 -3.808 4.535 -3.279 1.00 0.00 O ATOM 279 CB ASN A 20 -2.182 5.659 -5.706 1.00 0.00 C ATOM 280 CG ASN A 20 -1.280 6.784 -6.192 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.459 7.304 -5.442 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.434 7.160 -7.457 1.00 0.00 N ATOM 0 H ASN A 20 -0.192 4.225 -5.436 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.670 5.933 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.179 4.852 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.207 6.022 -5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.857 7.909 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.129 6.700 -8.045 1.00 0.00 H new ATOM 289 N HIS A 21 -2.512 2.817 -3.923 1.00 0.00 N ATOM 290 CA HIS A 21 -3.397 1.784 -3.401 1.00 0.00 C ATOM 291 C HIS A 21 -3.087 1.492 -1.934 1.00 0.00 C ATOM 292 O HIS A 21 -3.985 1.143 -1.174 1.00 0.00 O ATOM 293 CB HIS A 21 -3.224 0.533 -4.256 1.00 0.00 C ATOM 294 CG HIS A 21 -4.070 -0.629 -3.809 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.420 -0.791 -4.015 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.629 -1.726 -3.119 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.778 -1.965 -3.469 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.721 -2.580 -2.911 1.00 0.00 N ATOM 0 H HIS A 21 -1.678 2.453 -4.385 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.432 2.123 -3.447 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.471 0.774 -5.290 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.176 0.235 -4.240 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.615 -1.903 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.782 -2.362 -3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.715 -3.482 -2.435 1.00 0.00 H new ATOM 306 N CYS A 22 -1.821 1.635 -1.536 1.00 0.00 N ATOM 307 CA CYS A 22 -1.414 1.418 -0.158 1.00 0.00 C ATOM 308 C CYS A 22 -1.724 2.625 0.725 1.00 0.00 C ATOM 309 O CYS A 22 -1.972 2.450 1.917 1.00 0.00 O ATOM 310 CB CYS A 22 0.076 1.106 -0.117 1.00 0.00 C ATOM 311 SG CYS A 22 0.527 -0.498 -0.833 1.00 0.00 S ATOM 0 H CYS A 22 -1.059 1.903 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 22 -1.982 0.575 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.614 1.891 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.412 1.135 0.919 1.00 0.00 H new ATOM 316 N ARG A 23 -1.717 3.843 0.169 1.00 0.00 N ATOM 317 CA ARG A 23 -2.030 5.046 0.941 1.00 0.00 C ATOM 318 C ARG A 23 -3.540 5.236 1.072 1.00 0.00 C ATOM 319 O ARG A 23 -3.993 6.010 1.917 1.00 0.00 O ATOM 320 CB ARG A 23 -1.360 6.267 0.304 1.00 0.00 C ATOM 321 CG ARG A 23 0.157 6.179 0.484 1.00 0.00 C ATOM 322 CD ARG A 23 0.852 7.439 -0.030 1.00 0.00 C ATOM 323 NE ARG A 23 0.658 7.623 -1.476 1.00 0.00 N ATOM 324 CZ ARG A 23 1.081 8.699 -2.145 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.707 9.689 -1.514 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.876 8.793 -3.454 1.00 0.00 N ATOM 0 H ARG A 23 -1.498 4.019 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.634 4.929 1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.607 6.317 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.737 7.181 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.392 6.036 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.538 5.308 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.466 8.309 0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.918 7.380 0.188 1.00 0.00 H new ATOM 0 HE ARG A 23 0.175 6.890 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.869 9.631 -0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.025 10.506 -2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.395 8.043 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.200 9.615 -3.963 1.00 0.00 H new ATOM 340 N SER A 24 -4.314 4.532 0.244 1.00 0.00 N ATOM 341 CA SER A 24 -5.765 4.486 0.344 1.00 0.00 C ATOM 342 C SER A 24 -6.165 3.158 0.979 1.00 0.00 C ATOM 343 O SER A 24 -5.326 2.270 1.137 1.00 0.00 O ATOM 344 CB SER A 24 -6.392 4.653 -1.041 1.00 0.00 C ATOM 345 OG SER A 24 -6.064 5.926 -1.557 1.00 0.00 O ATOM 0 H SER A 24 -3.941 3.972 -0.523 1.00 0.00 H new ATOM 0 HA SER A 24 -6.128 5.302 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.031 3.873 -1.712 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.475 4.543 -0.977 1.00 0.00 H new ATOM 0 HG SER A 24 -5.320 5.841 -2.190 1.00 0.00 H new ATOM 351 N CYS A 25 -7.438 3.000 1.355 1.00 0.00 N ATOM 352 CA CYS A 25 -7.850 1.771 2.008 1.00 0.00 C ATOM 353 C CYS A 25 -8.019 0.641 0.997 1.00 0.00 C ATOM 354 O CYS A 25 -8.504 0.853 -0.114 1.00 0.00 O ATOM 355 CB CYS A 25 -9.103 1.998 2.849 1.00 0.00 C ATOM 356 SG CYS A 25 -9.407 0.642 4.008 1.00 0.00 S ATOM 0 H CYS A 25 -8.176 3.691 1.220 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.060 1.460 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.002 2.931 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.964 2.110 2.191 1.00 0.00 H new ATOM 361 N HIS A 26 -7.610 -0.564 1.402 1.00 0.00 N ATOM 362 CA HIS A 26 -7.639 -1.755 0.573 1.00 0.00 C ATOM 363 C HIS A 26 -7.921 -2.977 1.442 1.00 0.00 C ATOM 364 O HIS A 26 -7.941 -2.876 2.667 1.00 0.00 O ATOM 365 CB HIS A 26 -6.288 -1.880 -0.132 1.00 0.00 C ATOM 366 CG HIS A 26 -5.138 -1.747 0.828 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.329 -0.633 0.962 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.712 -2.687 1.723 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.431 -0.893 1.931 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.649 -2.133 2.407 1.00 0.00 N ATOM 0 H HIS A 26 -7.242 -0.735 2.338 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.429 -1.687 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.230 -2.845 -0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.208 -1.113 -0.902 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.400 0.230 0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.127 -3.674 1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.661 -0.216 2.271 1.00 0.00 H new ATOM 379 N ARG A 27 -8.143 -4.129 0.809 1.00 0.00 N ATOM 380 CA ARG A 27 -8.478 -5.347 1.528 1.00 0.00 C ATOM 381 C ARG A 27 -7.256 -5.919 2.251 1.00 0.00 C ATOM 382 O ARG A 27 -6.154 -5.926 1.707 1.00 0.00 O ATOM 383 CB ARG A 27 -9.060 -6.356 0.536 1.00 0.00 C ATOM 384 CG ARG A 27 -9.791 -7.506 1.232 1.00 0.00 C ATOM 385 CD ARG A 27 -10.960 -6.997 2.079 1.00 0.00 C ATOM 386 NE ARG A 27 -11.867 -6.163 1.281 1.00 0.00 N ATOM 387 CZ ARG A 27 -13.198 -6.141 1.400 1.00 0.00 C ATOM 388 NH1 ARG A 27 -13.828 -6.909 2.287 1.00 0.00 N ATOM 389 NH2 ARG A 27 -13.910 -5.331 0.617 1.00 0.00 N ATOM 0 H ARG A 27 -8.095 -4.239 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.220 -5.124 2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.750 -5.844 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.257 -6.760 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.160 -8.209 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.092 -8.052 1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.509 -7.843 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.579 -6.421 2.922 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.448 -5.552 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.294 -7.531 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.845 -6.875 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.439 -4.736 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.926 -5.306 0.699 1.00 0.00 H new ATOM 403 N GLY A 28 -7.473 -6.401 3.475 1.00 0.00 N ATOM 404 CA GLY A 28 -6.446 -7.033 4.294 1.00 0.00 C ATOM 405 C GLY A 28 -6.782 -8.499 4.568 1.00 0.00 C ATOM 406 O GLY A 28 -7.697 -9.057 3.966 1.00 0.00 O ATOM 0 H GLY A 28 -8.385 -6.361 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.482 -6.966 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.349 -6.497 5.238 1.00 0.00 H new ATOM 410 N ASP A 29 -6.035 -9.122 5.484 1.00 0.00 N ATOM 411 CA ASP A 29 -6.182 -10.542 5.791 1.00 0.00 C ATOM 412 C ASP A 29 -7.225 -10.788 6.888 1.00 0.00 C ATOM 413 O ASP A 29 -7.669 -11.920 7.074 1.00 0.00 O ATOM 414 CB ASP A 29 -4.814 -11.083 6.209 1.00 0.00 C ATOM 415 CG ASP A 29 -4.834 -12.601 6.380 1.00 0.00 C ATOM 416 OD1 ASP A 29 -5.049 -13.298 5.362 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.631 -13.049 7.530 1.00 0.00 O ATOM 0 H ASP A 29 -5.313 -8.654 6.032 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.541 -11.064 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.071 -10.811 5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.508 -10.615 7.145 1.00 0.00 H new ATOM 422 N VAL A 30 -7.617 -9.736 7.610 1.00 0.00 N ATOM 423 CA VAL A 30 -8.588 -9.839 8.696 1.00 0.00 C ATOM 424 C VAL A 30 -9.629 -8.716 8.631 1.00 0.00 C ATOM 425 O VAL A 30 -10.608 -8.733 9.374 1.00 0.00 O ATOM 426 CB VAL A 30 -7.820 -9.856 10.025 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.136 -8.512 10.286 1.00 0.00 C ATOM 428 CG2 VAL A 30 -8.738 -10.194 11.200 1.00 0.00 C ATOM 0 H VAL A 30 -7.269 -8.790 7.456 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.156 -10.765 8.603 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.060 -10.633 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.600 -8.555 11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.433 -8.299 9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.887 -7.724 10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.160 -10.197 12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.530 -9.448 11.270 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.180 -11.178 11.045 1.00 0.00 H new ATOM 438 N GLY A 31 -9.427 -7.741 7.745 1.00 0.00 N ATOM 439 CA GLY A 31 -10.329 -6.613 7.582 1.00 0.00 C ATOM 440 C GLY A 31 -9.704 -5.594 6.637 1.00 0.00 C ATOM 441 O GLY A 31 -8.589 -5.800 6.160 1.00 0.00 O ATOM 0 H GLY A 31 -8.624 -7.716 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.286 -6.953 7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.530 -6.152 8.549 1.00 0.00 H new ATOM 445 N CYS A 32 -10.408 -4.494 6.361 1.00 0.00 N ATOM 446 CA CYS A 32 -9.876 -3.464 5.484 1.00 0.00 C ATOM 447 C CYS A 32 -8.929 -2.541 6.242 1.00 0.00 C ATOM 448 O CYS A 32 -9.181 -2.182 7.392 1.00 0.00 O ATOM 449 CB CYS A 32 -11.010 -2.696 4.808 1.00 0.00 C ATOM 450 SG CYS A 32 -11.924 -3.736 3.640 1.00 0.00 S ATOM 0 H CYS A 32 -11.339 -4.300 6.731 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.293 -3.942 4.697 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.693 -2.314 5.567 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.602 -1.832 4.283 1.00 0.00 H new ATOM 455 N VAL A 33 -7.834 -2.156 5.583 1.00 0.00 N ATOM 456 CA VAL A 33 -6.772 -1.356 6.184 1.00 0.00 C ATOM 457 C VAL A 33 -6.172 -0.389 5.165 1.00 0.00 C ATOM 458 O VAL A 33 -6.357 -0.549 3.960 1.00 0.00 O ATOM 459 CB VAL A 33 -5.655 -2.267 6.719 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.144 -3.132 7.880 1.00 0.00 C ATOM 461 CG2 VAL A 33 -5.100 -3.172 5.619 1.00 0.00 C ATOM 0 H VAL A 33 -7.661 -2.395 4.607 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.211 -0.787 7.003 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.862 -1.611 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.328 -3.763 8.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.484 -2.491 8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.969 -3.760 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.312 -3.803 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.900 -3.800 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.692 -2.559 4.815 1.00 0.00 H new ATOM 471 N ARG A 34 -5.449 0.615 5.665 1.00 0.00 N ATOM 472 CA ARG A 34 -4.695 1.543 4.838 1.00 0.00 C ATOM 473 C ARG A 34 -3.307 1.697 5.445 1.00 0.00 C ATOM 474 O ARG A 34 -3.164 1.627 6.661 1.00 0.00 O ATOM 475 CB ARG A 34 -5.442 2.874 4.706 1.00 0.00 C ATOM 476 CG ARG A 34 -5.487 3.655 6.021 1.00 0.00 C ATOM 477 CD ARG A 34 -6.323 4.921 5.850 1.00 0.00 C ATOM 478 NE ARG A 34 -5.795 5.776 4.780 1.00 0.00 N ATOM 479 CZ ARG A 34 -6.278 6.981 4.465 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.287 7.517 5.149 1.00 0.00 N ATOM 481 NH2 ARG A 34 -5.747 7.658 3.454 1.00 0.00 N ATOM 0 H ARG A 34 -5.373 0.804 6.665 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.586 1.161 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.959 3.483 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.460 2.683 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.912 3.033 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.476 3.917 6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.354 4.649 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.338 5.477 6.787 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.004 5.426 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.704 7.006 5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.643 8.438 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.974 7.258 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.112 8.578 3.209 1.00 0.00 H new ATOM 495 N CYS A 35 -2.288 1.908 4.613 1.00 0.00 N ATOM 496 CA CYS A 35 -0.900 1.914 5.052 1.00 0.00 C ATOM 497 C CYS A 35 -0.241 3.271 4.812 1.00 0.00 C ATOM 498 O CYS A 35 -0.903 4.233 4.421 1.00 0.00 O ATOM 499 CB CYS A 35 -0.150 0.802 4.323 1.00 0.00 C ATOM 500 SG CYS A 35 -0.840 -0.867 4.471 1.00 0.00 S ATOM 0 H CYS A 35 -2.406 2.080 3.614 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.865 1.735 6.127 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.102 1.059 3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.875 0.782 4.693 1.00 0.00 H new ATOM 505 N SER A 36 1.072 3.346 5.050 1.00 0.00 N ATOM 506 CA SER A 36 1.820 4.597 4.990 1.00 0.00 C ATOM 507 C SER A 36 2.587 4.771 3.677 1.00 0.00 C ATOM 508 O SER A 36 2.696 5.888 3.173 1.00 0.00 O ATOM 509 CB SER A 36 2.802 4.620 6.163 1.00 0.00 C ATOM 510 OG SER A 36 3.414 5.891 6.254 1.00 0.00 O ATOM 0 H SER A 36 1.644 2.536 5.290 1.00 0.00 H new ATOM 0 HA SER A 36 1.108 5.420 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.278 4.392 7.091 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.562 3.850 6.028 1.00 0.00 H new ATOM 0 HG SER A 36 4.040 5.899 7.008 1.00 0.00 H new ATOM 516 N ASN A 37 3.116 3.679 3.117 1.00 0.00 N ATOM 517 CA ASN A 37 3.915 3.726 1.896 1.00 0.00 C ATOM 518 C ASN A 37 3.831 2.380 1.171 1.00 0.00 C ATOM 519 O ASN A 37 3.078 1.499 1.589 1.00 0.00 O ATOM 520 CB ASN A 37 5.361 4.081 2.282 1.00 0.00 C ATOM 521 CG ASN A 37 6.185 4.565 1.097 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.654 4.840 0.027 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.497 4.672 1.279 1.00 0.00 N ATOM 0 H ASN A 37 3.001 2.740 3.499 1.00 0.00 H new ATOM 0 HA ASN A 37 3.538 4.485 1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.348 4.854 3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.841 3.206 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.093 4.991 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.908 4.435 2.182 1.00 0.00 H new ATOM 530 N ALA A 38 4.594 2.201 0.085 1.00 0.00 N ATOM 531 CA ALA A 38 4.556 0.976 -0.698 1.00 0.00 C ATOM 532 C ALA A 38 5.864 0.713 -1.435 1.00 0.00 C ATOM 533 O ALA A 38 6.732 1.580 -1.515 1.00 0.00 O ATOM 534 CB ALA A 38 3.433 1.094 -1.722 1.00 0.00 C ATOM 0 H ALA A 38 5.248 2.900 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 38 4.392 0.145 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.389 0.184 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.483 1.236 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.623 1.947 -2.374 1.00 0.00 H new ATOM 540 N GLN A 39 5.990 -0.502 -1.977 1.00 0.00 N ATOM 541 CA GLN A 39 7.090 -0.910 -2.836 1.00 0.00 C ATOM 542 C GLN A 39 6.638 -2.061 -3.731 1.00 0.00 C ATOM 543 O GLN A 39 5.604 -2.680 -3.481 1.00 0.00 O ATOM 544 CB GLN A 39 8.299 -1.337 -1.993 1.00 0.00 C ATOM 545 CG GLN A 39 7.985 -2.546 -1.109 1.00 0.00 C ATOM 546 CD GLN A 39 9.241 -3.073 -0.431 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.710 -4.168 -0.734 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.806 -2.300 0.493 1.00 0.00 N ATOM 0 H GLN A 39 5.308 -1.244 -1.822 1.00 0.00 H new ATOM 0 HA GLN A 39 7.387 -0.066 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.133 -1.577 -2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.617 -0.503 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.251 -2.266 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.536 -3.335 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.394 -1.396 0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.651 -2.612 0.971 1.00 0.00 H new ATOM 557 N CYS A 40 7.408 -2.356 -4.781 1.00 0.00 N ATOM 558 CA CYS A 40 7.114 -3.477 -5.658 1.00 0.00 C ATOM 559 C CYS A 40 7.986 -4.669 -5.269 1.00 0.00 C ATOM 560 O CYS A 40 9.138 -4.501 -4.864 1.00 0.00 O ATOM 561 CB CYS A 40 7.306 -3.063 -7.118 1.00 0.00 C ATOM 562 SG CYS A 40 6.136 -1.801 -7.689 1.00 0.00 S ATOM 0 H CYS A 40 8.241 -1.828 -5.040 1.00 0.00 H new ATOM 0 HA CYS A 40 6.073 -3.780 -5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.321 -2.687 -7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.210 -3.945 -7.751 1.00 0.00 H new ATOM 567 N THR A 41 7.437 -5.881 -5.391 1.00 0.00 N ATOM 568 CA THR A 41 8.088 -7.115 -4.972 1.00 0.00 C ATOM 569 C THR A 41 7.901 -8.218 -6.015 1.00 0.00 C ATOM 570 O THR A 41 7.283 -7.999 -7.056 1.00 0.00 O ATOM 571 CB THR A 41 7.515 -7.569 -3.626 1.00 0.00 C ATOM 572 OG1 THR A 41 6.124 -7.772 -3.747 1.00 0.00 O ATOM 573 CG2 THR A 41 7.770 -6.522 -2.542 1.00 0.00 C ATOM 0 H THR A 41 6.511 -6.029 -5.792 1.00 0.00 H new ATOM 0 HA THR A 41 9.156 -6.922 -4.869 1.00 0.00 H new ATOM 0 HB THR A 41 8.009 -8.498 -3.343 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.666 -7.366 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.353 -6.869 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.843 -6.367 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.295 -5.582 -2.825 1.00 0.00 H new ATOM 581 N GLY A 42 8.436 -9.410 -5.732 1.00 0.00 N ATOM 582 CA GLY A 42 8.364 -10.553 -6.629 1.00 0.00 C ATOM 583 C GLY A 42 9.693 -10.780 -7.341 1.00 0.00 C ATOM 584 O GLY A 42 10.665 -10.060 -7.104 1.00 0.00 O ATOM 0 H GLY A 42 8.935 -9.604 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.094 -11.445 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.577 -10.392 -7.365 1.00 0.00 H new ATOM 588 N PHE A 43 9.738 -11.786 -8.217 1.00 0.00 N ATOM 589 CA PHE A 43 10.944 -12.151 -8.945 1.00 0.00 C ATOM 590 C PHE A 43 11.393 -11.044 -9.904 1.00 0.00 C ATOM 591 O PHE A 43 12.568 -10.988 -10.267 1.00 0.00 O ATOM 592 CB PHE A 43 10.666 -13.439 -9.725 1.00 0.00 C ATOM 593 CG PHE A 43 11.744 -13.794 -10.724 1.00 0.00 C ATOM 594 CD1 PHE A 43 12.967 -14.323 -10.289 1.00 0.00 C ATOM 595 CD2 PHE A 43 11.522 -13.588 -12.094 1.00 0.00 C ATOM 596 CE1 PHE A 43 13.970 -14.629 -11.217 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.525 -13.895 -13.023 1.00 0.00 C ATOM 598 CZ PHE A 43 13.754 -14.411 -12.584 1.00 0.00 C ATOM 0 H PHE A 43 8.932 -12.370 -8.439 1.00 0.00 H new ATOM 0 HA PHE A 43 11.752 -12.300 -8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.552 -14.262 -9.020 1.00 0.00 H new ATOM 0 HB3 PHE A 43 9.717 -13.336 -10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.136 -14.495 -9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.576 -13.192 -12.433 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.912 -15.034 -10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.352 -13.735 -14.077 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.531 -14.639 -13.298 1.00 0.00 H new ATOM 608 N LEU A 44 10.474 -10.165 -10.316 1.00 0.00 N ATOM 609 CA LEU A 44 10.784 -9.115 -11.275 1.00 0.00 C ATOM 610 C LEU A 44 10.017 -7.823 -10.968 1.00 0.00 C ATOM 611 O LEU A 44 9.840 -6.978 -11.843 1.00 0.00 O ATOM 612 CB LEU A 44 10.504 -9.650 -12.685 1.00 0.00 C ATOM 613 CG LEU A 44 11.202 -8.869 -13.804 1.00 0.00 C ATOM 614 CD1 LEU A 44 12.723 -8.939 -13.663 1.00 0.00 C ATOM 615 CD2 LEU A 44 10.817 -9.481 -15.148 1.00 0.00 C ATOM 0 H LEU A 44 9.506 -10.165 -9.995 1.00 0.00 H new ATOM 0 HA LEU A 44 11.838 -8.847 -11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.818 -10.693 -12.735 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.428 -9.632 -12.861 1.00 0.00 H new ATOM 0 HG LEU A 44 10.889 -7.827 -13.740 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.190 -8.376 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.020 -8.512 -12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.046 -9.979 -13.712 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.308 -8.933 -15.952 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.131 -10.524 -15.176 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.736 -9.424 -15.278 1.00 0.00 H new ATOM 627 N GLY A 45 9.553 -7.668 -9.723 1.00 0.00 N ATOM 628 CA GLY A 45 8.813 -6.480 -9.312 1.00 0.00 C ATOM 629 C GLY A 45 7.368 -6.499 -9.816 1.00 0.00 C ATOM 630 O GLY A 45 6.713 -5.460 -9.849 1.00 0.00 O ATOM 0 H GLY A 45 9.680 -8.357 -8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.816 -6.410 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.317 -5.591 -9.690 1.00 0.00 H new ATOM 634 N THR A 46 6.869 -7.674 -10.210 1.00 0.00 N ATOM 635 CA THR A 46 5.538 -7.821 -10.791 1.00 0.00 C ATOM 636 C THR A 46 4.422 -7.872 -9.744 1.00 0.00 C ATOM 637 O THR A 46 3.270 -8.124 -10.091 1.00 0.00 O ATOM 638 CB THR A 46 5.499 -9.068 -11.674 1.00 0.00 C ATOM 639 OG1 THR A 46 5.933 -10.189 -10.929 1.00 0.00 O ATOM 640 CG2 THR A 46 6.412 -8.893 -12.883 1.00 0.00 C ATOM 0 H THR A 46 7.382 -8.552 -10.133 1.00 0.00 H new ATOM 0 HA THR A 46 5.351 -6.930 -11.391 1.00 0.00 H new ATOM 0 HB THR A 46 4.475 -9.220 -12.017 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.906 -10.988 -11.495 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.373 -9.790 -13.501 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.081 -8.034 -13.467 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.435 -8.730 -12.545 1.00 0.00 H new ATOM 648 N THR A 47 4.747 -7.636 -8.468 1.00 0.00 N ATOM 649 CA THR A 47 3.773 -7.672 -7.386 1.00 0.00 C ATOM 650 C THR A 47 3.847 -6.386 -6.564 1.00 0.00 C ATOM 651 O THR A 47 4.896 -5.745 -6.509 1.00 0.00 O ATOM 652 CB THR A 47 4.031 -8.915 -6.517 1.00 0.00 C ATOM 653 OG1 THR A 47 4.004 -10.066 -7.329 1.00 0.00 O ATOM 654 CG2 THR A 47 2.970 -9.076 -5.429 1.00 0.00 C ATOM 0 H THR A 47 5.695 -7.415 -8.163 1.00 0.00 H new ATOM 0 HA THR A 47 2.765 -7.738 -7.796 1.00 0.00 H new ATOM 0 HB THR A 47 5.004 -8.789 -6.043 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.170 -10.859 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.188 -9.965 -4.837 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.976 -8.199 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.988 -9.179 -5.891 1.00 0.00 H new ATOM 662 N CYS A 48 2.733 -6.010 -5.928 1.00 0.00 N ATOM 663 CA CYS A 48 2.650 -4.816 -5.095 1.00 0.00 C ATOM 664 C CYS A 48 2.633 -5.198 -3.614 1.00 0.00 C ATOM 665 O CYS A 48 2.019 -6.194 -3.235 1.00 0.00 O ATOM 666 CB CYS A 48 1.397 -4.027 -5.481 1.00 0.00 C ATOM 667 SG CYS A 48 1.003 -2.620 -4.406 1.00 0.00 S ATOM 0 H CYS A 48 1.859 -6.533 -5.980 1.00 0.00 H new ATOM 0 HA CYS A 48 3.526 -4.189 -5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.518 -3.661 -6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.546 -4.708 -5.486 1.00 0.00 H new ATOM 672 N THR A 49 3.307 -4.405 -2.778 1.00 0.00 N ATOM 673 CA THR A 49 3.339 -4.610 -1.334 1.00 0.00 C ATOM 674 C THR A 49 3.313 -3.266 -0.613 1.00 0.00 C ATOM 675 O THR A 49 3.866 -2.283 -1.107 1.00 0.00 O ATOM 676 CB THR A 49 4.588 -5.411 -0.956 1.00 0.00 C ATOM 677 OG1 THR A 49 4.534 -6.686 -1.555 1.00 0.00 O ATOM 678 CG2 THR A 49 4.707 -5.612 0.554 1.00 0.00 C ATOM 0 H THR A 49 3.848 -3.598 -3.089 1.00 0.00 H new ATOM 0 HA THR A 49 2.459 -5.175 -1.028 1.00 0.00 H new ATOM 0 HB THR A 49 5.449 -4.842 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.161 -7.287 -1.101 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.607 -6.185 0.775 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.765 -4.641 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.834 -6.153 0.919 1.00 0.00 H new ATOM 686 N CYS A 50 2.667 -3.219 0.555 1.00 0.00 N ATOM 687 CA CYS A 50 2.535 -1.999 1.336 1.00 0.00 C ATOM 688 C CYS A 50 3.519 -1.981 2.507 1.00 0.00 C ATOM 689 O CYS A 50 4.062 -3.018 2.888 1.00 0.00 O ATOM 690 CB CYS A 50 1.095 -1.844 1.820 1.00 0.00 C ATOM 691 SG CYS A 50 -0.161 -1.860 0.511 1.00 0.00 S ATOM 0 H CYS A 50 2.222 -4.031 0.982 1.00 0.00 H new ATOM 0 HA CYS A 50 2.780 -1.150 0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.876 -2.648 2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.012 -0.907 2.371 1.00 0.00 H new ATOM 696 N ILE A 51 3.742 -0.793 3.076 1.00 0.00 N ATOM 697 CA ILE A 51 4.691 -0.589 4.163 1.00 0.00 C ATOM 698 C ILE A 51 3.945 -0.244 5.450 1.00 0.00 C ATOM 699 O ILE A 51 2.987 0.525 5.429 1.00 0.00 O ATOM 700 CB ILE A 51 5.670 0.526 3.776 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.404 0.222 2.464 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.683 0.770 4.896 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.260 -1.043 2.539 1.00 0.00 C ATOM 0 H ILE A 51 3.262 0.060 2.789 1.00 0.00 H new ATOM 0 HA ILE A 51 5.256 -1.505 4.338 1.00 0.00 H new ATOM 0 HB ILE A 51 5.078 1.429 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.674 0.113 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.039 1.069 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.368 1.565 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.157 1.063 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.247 -0.144 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.754 -1.205 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.012 -0.928 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.625 -1.899 2.769 1.00 0.00 H new ATOM 715 N ASN A 52 4.390 -0.816 6.574 1.00 0.00 N ATOM 716 CA ASN A 52 3.764 -0.616 7.872 1.00 0.00 C ATOM 717 C ASN A 52 3.940 0.831 8.351 1.00 0.00 C ATOM 718 O ASN A 52 4.873 1.509 7.925 1.00 0.00 O ATOM 719 CB ASN A 52 4.383 -1.607 8.861 1.00 0.00 C ATOM 720 CG ASN A 52 4.186 -3.045 8.408 1.00 0.00 C ATOM 721 OD1 ASN A 52 5.095 -3.658 7.853 1.00 0.00 O ATOM 722 ND2 ASN A 52 2.997 -3.597 8.637 1.00 0.00 N ATOM 0 H ASN A 52 5.201 -1.434 6.602 1.00 0.00 H new ATOM 0 HA ASN A 52 2.691 -0.795 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.448 -1.400 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.933 -1.470 9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.817 -4.559 8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.265 -3.058 9.100 1.00 0.00 H new ATOM 729 N PRO A 53 3.057 1.315 9.235 1.00 0.00 N ATOM 730 CA PRO A 53 1.906 0.613 9.781 1.00 0.00 C ATOM 731 C PRO A 53 0.768 0.532 8.763 1.00 0.00 C ATOM 732 O PRO A 53 0.794 1.204 7.733 1.00 0.00 O ATOM 733 CB PRO A 53 1.489 1.441 10.999 1.00 0.00 C ATOM 734 CG PRO A 53 1.848 2.860 10.566 1.00 0.00 C ATOM 735 CD PRO A 53 3.146 2.654 9.789 1.00 0.00 C ATOM 0 HA PRO A 53 2.145 -0.418 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.426 1.339 11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.028 1.142 11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.070 3.303 9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.988 3.521 11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.254 3.399 9.000 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.014 2.752 10.441 1.00 0.00 H new ATOM 743 N CYS A 54 -0.233 -0.301 9.067 1.00 0.00 N ATOM 744 CA CYS A 54 -1.402 -0.501 8.220 1.00 0.00 C ATOM 745 C CYS A 54 -2.667 -0.611 9.085 1.00 0.00 C ATOM 746 O CYS A 54 -3.272 -1.681 9.155 1.00 0.00 O ATOM 747 CB CYS A 54 -1.217 -1.761 7.376 1.00 0.00 C ATOM 748 SG CYS A 54 0.068 -1.698 6.101 1.00 0.00 S ATOM 0 H CYS A 54 -0.249 -0.860 9.920 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.514 0.354 7.553 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.992 -2.591 8.046 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.167 -1.990 6.892 1.00 0.00 H new ATOM 753 N PRO A 55 -3.080 0.477 9.748 1.00 0.00 N ATOM 754 CA PRO A 55 -4.263 0.521 10.600 1.00 0.00 C ATOM 755 C PRO A 55 -5.559 0.394 9.793 1.00 0.00 C ATOM 756 O PRO A 55 -5.546 0.443 8.563 1.00 0.00 O ATOM 757 CB PRO A 55 -4.183 1.876 11.305 1.00 0.00 C ATOM 758 CG PRO A 55 -3.452 2.747 10.287 1.00 0.00 C ATOM 759 CD PRO A 55 -2.425 1.773 9.726 1.00 0.00 C ATOM 0 HA PRO A 55 -4.282 -0.313 11.301 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.173 2.270 11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.637 1.810 12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.123 3.124 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.982 3.614 10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.132 2.049 8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.517 1.766 10.330 1.00 0.00 H new ATOM 767 N ARG A 56 -6.685 0.234 10.499 1.00 0.00 N ATOM 768 CA ARG A 56 -8.012 0.154 9.896 1.00 0.00 C ATOM 769 C ARG A 56 -8.391 1.483 9.246 1.00 0.00 C ATOM 770 O ARG A 56 -7.709 2.489 9.441 1.00 0.00 O ATOM 771 CB ARG A 56 -9.043 -0.213 10.970 1.00 0.00 C ATOM 772 CG ARG A 56 -8.807 -1.597 11.581 1.00 0.00 C ATOM 773 CD ARG A 56 -8.992 -2.708 10.546 1.00 0.00 C ATOM 774 NE ARG A 56 -8.799 -4.029 11.154 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.784 -4.792 11.644 1.00 0.00 C ATOM 776 NH1 ARG A 56 -11.051 -4.383 11.601 1.00 0.00 N ATOM 777 NH2 ARG A 56 -9.503 -5.976 12.182 1.00 0.00 N ATOM 0 H ARG A 56 -6.696 0.156 11.516 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.999 -0.615 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.017 0.536 11.761 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.041 -0.181 10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.799 -1.647 11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.498 -1.752 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.991 -2.645 10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.282 -2.572 9.730 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.847 -4.392 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.281 -3.478 11.191 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.791 -4.975 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.537 -6.302 12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.253 -6.557 12.555 1.00 0.00 H new ATOM 791 N CYS A 57 -9.486 1.481 8.478 1.00 0.00 N ATOM 792 CA CYS A 57 -9.975 2.671 7.798 1.00 0.00 C ATOM 793 C CYS A 57 -11.475 2.865 8.024 1.00 0.00 C ATOM 794 O CYS A 57 -11.948 3.998 7.780 1.00 0.00 O ATOM 795 CB CYS A 57 -9.637 2.568 6.311 1.00 0.00 C ATOM 796 SG CYS A 57 -10.689 1.427 5.374 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.139 1.887 8.439 1.00 0.00 O ATOM 0 H CYS A 57 -10.054 0.650 8.314 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.483 3.551 8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.713 3.560 5.865 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.599 2.251 6.209 1.00 0.00 H new