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 -138:sc= 0.782 USER MOD Set 1.2: A 49 THR OG1 : rot -161:sc= 0.704 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 12 THR OG1 : rot -22:sc= 0.147 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= -0.252 K(o=-0.25,f=-1.3) USER MOD Single : A 21 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.78) USER MOD Single : A 24 SER OG : rot 105:sc= 0.0517 USER MOD Single : A 26 HIS : no HE2:sc= 0.108 K(o=0.11,f=-2.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.214 K(o=0.21,f=-6.8!) USER MOD Single : A 39 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.28) USER MOD Single : A 46 THR OG1 : rot -80:sc= 1.06 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00654 K(o=-0.0065,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 28 N CYS A 3 -12.844 -0.856 -0.537 1.00 0.00 N ATOM 29 CA CYS A 3 -11.503 -1.304 -0.200 1.00 0.00 C ATOM 30 C CYS A 3 -11.224 -2.662 -0.857 1.00 0.00 C ATOM 31 O CYS A 3 -11.181 -3.690 -0.183 1.00 0.00 O ATOM 32 CB CYS A 3 -11.362 -1.347 1.326 1.00 0.00 C ATOM 33 SG CYS A 3 -12.657 -2.240 2.227 1.00 0.00 S ATOM 0 HA CYS A 3 -10.757 -0.609 -0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.401 -1.801 1.568 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -11.332 -0.322 1.696 1.00 0.00 H new ATOM 38 N PRO A 4 -11.037 -2.669 -2.185 1.00 0.00 N ATOM 39 CA PRO A 4 -10.813 -3.864 -2.986 1.00 0.00 C ATOM 40 C PRO A 4 -9.395 -4.401 -2.805 1.00 0.00 C ATOM 41 O PRO A 4 -8.579 -3.806 -2.097 1.00 0.00 O ATOM 42 CB PRO A 4 -11.052 -3.413 -4.427 1.00 0.00 C ATOM 43 CG PRO A 4 -10.571 -1.964 -4.397 1.00 0.00 C ATOM 44 CD PRO A 4 -11.039 -1.487 -3.026 1.00 0.00 C ATOM 0 HA PRO A 4 -11.474 -4.680 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.488 -4.014 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -12.103 -3.487 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -9.488 -1.894 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.009 -1.375 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.373 -0.721 -2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.034 -1.047 -3.082 1.00 0.00 H new ATOM 52 N THR A 5 -9.105 -5.534 -3.454 1.00 0.00 N ATOM 53 CA THR A 5 -7.790 -6.161 -3.424 1.00 0.00 C ATOM 54 C THR A 5 -7.114 -5.995 -4.780 1.00 0.00 C ATOM 55 O THR A 5 -7.694 -6.369 -5.798 1.00 0.00 O ATOM 56 CB THR A 5 -7.928 -7.650 -3.096 1.00 0.00 C ATOM 57 OG1 THR A 5 -8.750 -7.838 -1.968 1.00 0.00 O ATOM 58 CG2 THR A 5 -6.557 -8.255 -2.815 1.00 0.00 C ATOM 0 H THR A 5 -9.786 -6.042 -4.018 1.00 0.00 H new ATOM 0 HA THR A 5 -7.183 -5.682 -2.655 1.00 0.00 H new ATOM 0 HB THR A 5 -8.381 -8.143 -3.956 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.827 -8.796 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.667 -9.314 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.922 -8.140 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.100 -7.744 -1.968 1.00 0.00 H new ATOM 66 N ARG A 6 -5.897 -5.444 -4.800 1.00 0.00 N ATOM 67 CA ARG A 6 -5.105 -5.285 -6.018 1.00 0.00 C ATOM 68 C ARG A 6 -3.644 -5.624 -5.723 1.00 0.00 C ATOM 69 O ARG A 6 -3.100 -5.155 -4.724 1.00 0.00 O ATOM 70 CB ARG A 6 -5.198 -3.840 -6.524 1.00 0.00 C ATOM 71 CG ARG A 6 -6.599 -3.398 -6.961 1.00 0.00 C ATOM 72 CD ARG A 6 -6.976 -3.938 -8.342 1.00 0.00 C ATOM 73 NE ARG A 6 -7.268 -5.373 -8.328 1.00 0.00 N ATOM 74 CZ ARG A 6 -7.293 -6.153 -9.413 1.00 0.00 C ATOM 75 NH1 ARG A 6 -7.047 -5.648 -10.620 1.00 0.00 N ATOM 76 NH2 ARG A 6 -7.568 -7.448 -9.296 1.00 0.00 N ATOM 0 H ARG A 6 -5.432 -5.093 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.493 -5.957 -6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.851 -3.172 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.516 -3.721 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.330 -3.740 -6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.646 -2.309 -6.974 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.847 -3.398 -8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.160 -3.744 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.466 -5.808 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.836 -4.655 -10.724 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.069 -6.254 -11.440 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.760 -7.848 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.587 -8.042 -10.125 1.00 0.00 H new ATOM 90 N ARG A 7 -3.012 -6.428 -6.584 1.00 0.00 N ATOM 91 CA ARG A 7 -1.611 -6.830 -6.424 1.00 0.00 C ATOM 92 C ARG A 7 -0.819 -6.629 -7.717 1.00 0.00 C ATOM 93 O ARG A 7 0.408 -6.616 -7.685 1.00 0.00 O ATOM 94 CB ARG A 7 -1.544 -8.308 -6.025 1.00 0.00 C ATOM 95 CG ARG A 7 -2.176 -8.654 -4.670 1.00 0.00 C ATOM 96 CD ARG A 7 -1.343 -8.189 -3.472 1.00 0.00 C ATOM 97 NE ARG A 7 -1.509 -6.751 -3.219 1.00 0.00 N ATOM 98 CZ ARG A 7 -1.114 -6.126 -2.107 1.00 0.00 C ATOM 99 NH1 ARG A 7 -0.505 -6.792 -1.129 1.00 0.00 N ATOM 100 NH2 ARG A 7 -1.333 -4.823 -1.973 1.00 0.00 N ATOM 0 H ARG A 7 -3.459 -6.819 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.170 -6.205 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.037 -8.898 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.498 -8.615 -6.008 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.165 -8.200 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.316 -9.733 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.636 -8.751 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.291 -8.407 -3.654 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.958 -6.191 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.334 -7.793 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.209 -6.301 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.801 -4.305 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.034 -4.340 -1.126 1.00 0.00 H new ATOM 114 N GLY A 8 -1.508 -6.476 -8.851 1.00 0.00 N ATOM 115 CA GLY A 8 -0.877 -6.340 -10.162 1.00 0.00 C ATOM 116 C GLY A 8 -0.546 -4.892 -10.514 1.00 0.00 C ATOM 117 O GLY A 8 -0.209 -4.600 -11.659 1.00 0.00 O ATOM 0 H GLY A 8 -2.527 -6.443 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.038 -6.932 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.540 -6.751 -10.923 1.00 0.00 H new ATOM 121 N LEU A 9 -0.637 -3.983 -9.540 1.00 0.00 N ATOM 122 CA LEU A 9 -0.438 -2.557 -9.769 1.00 0.00 C ATOM 123 C LEU A 9 0.965 -2.251 -10.285 1.00 0.00 C ATOM 124 O LEU A 9 1.157 -1.263 -10.991 1.00 0.00 O ATOM 125 CB LEU A 9 -0.703 -1.814 -8.457 1.00 0.00 C ATOM 126 CG LEU A 9 -2.141 -2.025 -7.970 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.299 -1.390 -6.595 1.00 0.00 C ATOM 128 CD2 LEU A 9 -3.149 -1.385 -8.923 1.00 0.00 C ATOM 0 H LEU A 9 -0.851 -4.219 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.133 -2.224 -10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.005 -2.161 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.518 -0.749 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.333 -3.097 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.320 -1.536 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.603 -1.856 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.087 -0.323 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.159 -1.552 -8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.959 -0.314 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.049 -1.832 -9.912 1.00 0.00 H new ATOM 140 N CYS A 10 1.951 -3.090 -9.949 1.00 0.00 N ATOM 141 CA CYS A 10 3.327 -2.892 -10.386 1.00 0.00 C ATOM 142 C CYS A 10 3.547 -3.374 -11.823 1.00 0.00 C ATOM 143 O CYS A 10 4.682 -3.361 -12.301 1.00 0.00 O ATOM 144 CB CYS A 10 4.271 -3.585 -9.402 1.00 0.00 C ATOM 145 SG CYS A 10 4.324 -2.822 -7.759 1.00 0.00 S ATOM 0 H CYS A 10 1.814 -3.919 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 10 3.544 -1.824 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.967 -4.626 -9.297 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.277 -3.587 -9.822 1.00 0.00 H new ATOM 150 N VAL A 11 2.478 -3.794 -12.514 1.00 0.00 N ATOM 151 CA VAL A 11 2.571 -4.285 -13.886 1.00 0.00 C ATOM 152 C VAL A 11 1.668 -3.488 -14.829 1.00 0.00 C ATOM 153 O VAL A 11 1.930 -3.432 -16.027 1.00 0.00 O ATOM 154 CB VAL A 11 2.191 -5.772 -13.916 1.00 0.00 C ATOM 155 CG1 VAL A 11 2.360 -6.357 -15.318 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.090 -6.562 -12.969 1.00 0.00 C ATOM 0 H VAL A 11 1.531 -3.801 -12.135 1.00 0.00 H new ATOM 0 HA VAL A 11 3.597 -4.158 -14.231 1.00 0.00 H new ATOM 0 HB VAL A 11 1.147 -5.847 -13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.083 -7.411 -15.308 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.718 -5.820 -16.016 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.399 -6.257 -15.631 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.812 -7.616 -12.998 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.130 -6.452 -13.278 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.971 -6.183 -11.954 1.00 0.00 H new ATOM 166 N THR A 12 0.609 -2.866 -14.297 1.00 0.00 N ATOM 167 CA THR A 12 -0.346 -2.125 -15.121 1.00 0.00 C ATOM 168 C THR A 12 -0.087 -0.621 -15.078 1.00 0.00 C ATOM 169 O THR A 12 -0.596 0.115 -15.921 1.00 0.00 O ATOM 170 CB THR A 12 -1.767 -2.475 -14.670 1.00 0.00 C ATOM 171 OG1 THR A 12 -2.711 -1.940 -15.574 1.00 0.00 O ATOM 172 CG2 THR A 12 -2.059 -1.937 -13.270 1.00 0.00 C ATOM 0 H THR A 12 0.394 -2.863 -13.300 1.00 0.00 H new ATOM 0 HA THR A 12 -0.222 -2.419 -16.163 1.00 0.00 H new ATOM 0 HB THR A 12 -1.844 -3.562 -14.649 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.306 -1.196 -16.068 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.076 -2.204 -12.982 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.355 -2.371 -12.559 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.954 -0.852 -13.268 1.00 0.00 H new ATOM 180 N SER A 13 0.703 -0.156 -14.103 1.00 0.00 N ATOM 181 CA SER A 13 1.038 1.259 -13.989 1.00 0.00 C ATOM 182 C SER A 13 2.416 1.460 -13.365 1.00 0.00 C ATOM 183 O SER A 13 3.135 2.387 -13.734 1.00 0.00 O ATOM 184 CB SER A 13 -0.008 1.928 -13.103 1.00 0.00 C ATOM 185 OG SER A 13 0.145 3.333 -13.130 1.00 0.00 O ATOM 0 H SER A 13 1.121 -0.745 -13.382 1.00 0.00 H new ATOM 0 HA SER A 13 1.052 1.697 -14.987 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.008 1.659 -13.444 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.088 1.565 -12.080 1.00 0.00 H new ATOM 0 HG SER A 13 -0.534 3.747 -12.558 1.00 0.00 H new ATOM 191 N GLY A 14 2.780 0.590 -12.422 1.00 0.00 N ATOM 192 CA GLY A 14 4.067 0.641 -11.744 1.00 0.00 C ATOM 193 C GLY A 14 3.898 0.993 -10.269 1.00 0.00 C ATOM 194 O GLY A 14 2.800 0.918 -9.718 1.00 0.00 O ATOM 0 H GLY A 14 2.182 -0.174 -12.108 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.568 -0.323 -11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.706 1.380 -12.226 1.00 0.00 H new ATOM 198 N LEU A 15 4.999 1.380 -9.623 1.00 0.00 N ATOM 199 CA LEU A 15 5.016 1.685 -8.198 1.00 0.00 C ATOM 200 C LEU A 15 4.060 2.831 -7.850 1.00 0.00 C ATOM 201 O LEU A 15 3.566 2.899 -6.725 1.00 0.00 O ATOM 202 CB LEU A 15 6.453 2.045 -7.820 1.00 0.00 C ATOM 203 CG LEU A 15 6.583 2.478 -6.354 1.00 0.00 C ATOM 204 CD1 LEU A 15 6.136 1.366 -5.407 1.00 0.00 C ATOM 205 CD2 LEU A 15 8.042 2.817 -6.058 1.00 0.00 C ATOM 0 H LEU A 15 5.905 1.490 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 15 4.675 0.817 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.099 1.186 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.805 2.850 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 15 5.945 3.348 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.240 1.703 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.093 1.117 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.756 0.483 -5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.140 3.125 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.663 1.939 -6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.366 3.629 -6.709 1.00 0.00 H new ATOM 217 N THR A 16 3.788 3.733 -8.794 1.00 0.00 N ATOM 218 CA THR A 16 2.929 4.880 -8.536 1.00 0.00 C ATOM 219 C THR A 16 1.515 4.437 -8.170 1.00 0.00 C ATOM 220 O THR A 16 0.911 5.018 -7.272 1.00 0.00 O ATOM 221 CB THR A 16 2.900 5.788 -9.766 1.00 0.00 C ATOM 222 OG1 THR A 16 4.219 6.060 -10.187 1.00 0.00 O ATOM 223 CG2 THR A 16 2.200 7.106 -9.450 1.00 0.00 C ATOM 0 H THR A 16 4.153 3.687 -9.745 1.00 0.00 H new ATOM 0 HA THR A 16 3.335 5.433 -7.689 1.00 0.00 H new ATOM 0 HB THR A 16 2.352 5.275 -10.556 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.197 6.641 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.191 7.736 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.175 6.908 -9.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.733 7.618 -8.648 1.00 0.00 H new ATOM 231 N ALA A 17 0.973 3.420 -8.845 1.00 0.00 N ATOM 232 CA ALA A 17 -0.367 2.948 -8.528 1.00 0.00 C ATOM 233 C ALA A 17 -0.346 2.067 -7.281 1.00 0.00 C ATOM 234 O ALA A 17 -1.325 2.022 -6.541 1.00 0.00 O ATOM 235 CB ALA A 17 -0.935 2.191 -9.726 1.00 0.00 C ATOM 0 H ALA A 17 1.437 2.918 -9.602 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.009 3.803 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.939 1.837 -9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.978 2.855 -10.589 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.294 1.339 -9.955 1.00 0.00 H new ATOM 241 N CYS A 18 0.766 1.367 -7.045 1.00 0.00 N ATOM 242 CA CYS A 18 0.912 0.523 -5.872 1.00 0.00 C ATOM 243 C CYS A 18 0.974 1.382 -4.610 1.00 0.00 C ATOM 244 O CYS A 18 0.495 0.969 -3.556 1.00 0.00 O ATOM 245 CB CYS A 18 2.174 -0.322 -6.046 1.00 0.00 C ATOM 246 SG CYS A 18 2.604 -1.364 -4.626 1.00 0.00 S ATOM 0 H CYS A 18 1.580 1.373 -7.660 1.00 0.00 H new ATOM 0 HA CYS A 18 0.053 -0.140 -5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.047 -0.961 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.012 0.343 -6.256 1.00 0.00 H new ATOM 251 N ARG A 19 1.556 2.581 -4.713 1.00 0.00 N ATOM 252 CA ARG A 19 1.653 3.496 -3.587 1.00 0.00 C ATOM 253 C ARG A 19 0.329 4.217 -3.360 1.00 0.00 C ATOM 254 O ARG A 19 -0.047 4.471 -2.221 1.00 0.00 O ATOM 255 CB ARG A 19 2.782 4.490 -3.867 1.00 0.00 C ATOM 256 CG ARG A 19 3.137 5.271 -2.601 1.00 0.00 C ATOM 257 CD ARG A 19 4.308 6.211 -2.877 1.00 0.00 C ATOM 258 NE ARG A 19 4.724 6.892 -1.645 1.00 0.00 N ATOM 259 CZ ARG A 19 4.371 8.132 -1.300 1.00 0.00 C ATOM 260 NH1 ARG A 19 3.581 8.858 -2.089 1.00 0.00 N ATOM 261 NH2 ARG A 19 4.806 8.655 -0.160 1.00 0.00 N ATOM 0 H ARG A 19 1.968 2.937 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 19 1.875 2.940 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.661 3.958 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.479 5.181 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.273 5.843 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.396 4.580 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.145 5.647 -3.288 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.021 6.948 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 19 5.329 6.379 -1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.239 8.467 -2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.318 9.805 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.411 8.109 0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.535 9.603 0.102 1.00 0.00 H new ATOM 275 N ASN A 20 -0.379 4.537 -4.445 1.00 0.00 N ATOM 276 CA ASN A 20 -1.678 5.192 -4.354 1.00 0.00 C ATOM 277 C ASN A 20 -2.751 4.224 -3.850 1.00 0.00 C ATOM 278 O ASN A 20 -3.815 4.658 -3.407 1.00 0.00 O ATOM 279 CB ASN A 20 -2.055 5.752 -5.730 1.00 0.00 C ATOM 280 CG ASN A 20 -1.121 6.864 -6.191 1.00 0.00 C ATOM 281 OD1 ASN A 20 -0.295 7.355 -5.429 1.00 0.00 O ATOM 282 ND2 ASN A 20 -1.253 7.268 -7.450 1.00 0.00 N ATOM 0 H ASN A 20 -0.070 4.351 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.614 6.009 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.040 4.945 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.076 6.132 -5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.655 8.011 -7.813 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.952 6.835 -8.054 1.00 0.00 H new ATOM 289 N HIS A 21 -2.483 2.917 -3.913 1.00 0.00 N ATOM 290 CA HIS A 21 -3.398 1.905 -3.410 1.00 0.00 C ATOM 291 C HIS A 21 -3.109 1.594 -1.942 1.00 0.00 C ATOM 292 O HIS A 21 -4.020 1.274 -1.184 1.00 0.00 O ATOM 293 CB HIS A 21 -3.249 0.651 -4.266 1.00 0.00 C ATOM 294 CG HIS A 21 -4.147 -0.481 -3.847 1.00 0.00 C ATOM 295 ND1 HIS A 21 -5.500 -0.590 -4.075 1.00 0.00 N ATOM 296 CD2 HIS A 21 -3.760 -1.604 -3.166 1.00 0.00 C ATOM 297 CE1 HIS A 21 -5.910 -1.755 -3.548 1.00 0.00 C ATOM 298 NE2 HIS A 21 -4.887 -2.411 -2.979 1.00 0.00 N ATOM 0 H HIS A 21 -1.626 2.537 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 21 -4.422 2.273 -3.470 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.460 0.904 -5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -2.213 0.315 -4.224 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.758 -1.828 -2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.927 -2.116 -3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.924 -3.314 -2.506 1.00 0.00 H new ATOM 306 N CYS A 22 -1.841 1.689 -1.532 1.00 0.00 N ATOM 307 CA CYS A 22 -1.460 1.478 -0.142 1.00 0.00 C ATOM 308 C CYS A 22 -1.749 2.714 0.715 1.00 0.00 C ATOM 309 O CYS A 22 -1.944 2.579 1.919 1.00 0.00 O ATOM 310 CB CYS A 22 0.025 1.125 -0.078 1.00 0.00 C ATOM 311 SG CYS A 22 0.458 -0.486 -0.785 1.00 0.00 S ATOM 0 H CYS A 22 -1.061 1.912 -2.150 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.054 0.657 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.590 1.898 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.344 1.145 0.964 1.00 0.00 H new ATOM 316 N ARG A 23 -1.780 3.910 0.114 1.00 0.00 N ATOM 317 CA ARG A 23 -2.093 5.142 0.832 1.00 0.00 C ATOM 318 C ARG A 23 -3.603 5.375 0.901 1.00 0.00 C ATOM 319 O ARG A 23 -4.047 6.415 1.385 1.00 0.00 O ATOM 320 CB ARG A 23 -1.353 6.326 0.201 1.00 0.00 C ATOM 321 CG ARG A 23 0.144 6.206 0.497 1.00 0.00 C ATOM 322 CD ARG A 23 0.926 7.358 -0.130 1.00 0.00 C ATOM 323 NE ARG A 23 0.467 8.660 0.363 1.00 0.00 N ATOM 324 CZ ARG A 23 0.800 9.192 1.543 1.00 0.00 C ATOM 325 NH1 ARG A 23 1.595 8.544 2.389 1.00 0.00 N ATOM 326 NH2 ARG A 23 0.333 10.388 1.885 1.00 0.00 N ATOM 0 H ARG A 23 -1.589 4.046 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.746 5.045 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.522 6.343 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.740 7.264 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.305 6.199 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.518 5.257 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.987 7.239 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.820 7.322 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.153 9.201 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.962 7.625 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.838 8.966 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.278 10.898 1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.586 10.796 2.785 1.00 0.00 H new ATOM 340 N SER A 24 -4.376 4.406 0.415 1.00 0.00 N ATOM 341 CA SER A 24 -5.827 4.392 0.492 1.00 0.00 C ATOM 342 C SER A 24 -6.252 3.060 1.095 1.00 0.00 C ATOM 343 O SER A 24 -5.443 2.136 1.175 1.00 0.00 O ATOM 344 CB SER A 24 -6.432 4.583 -0.899 1.00 0.00 C ATOM 345 OG SER A 24 -6.049 5.839 -1.420 1.00 0.00 O ATOM 0 H SER A 24 -3.994 3.586 -0.057 1.00 0.00 H new ATOM 0 HA SER A 24 -6.185 5.210 1.118 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.097 3.786 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.519 4.518 -0.845 1.00 0.00 H new ATOM 0 HG SER A 24 -5.360 5.713 -2.105 1.00 0.00 H new ATOM 351 N CYS A 25 -7.510 2.934 1.523 1.00 0.00 N ATOM 352 CA CYS A 25 -7.930 1.700 2.161 1.00 0.00 C ATOM 353 C CYS A 25 -8.148 0.600 1.124 1.00 0.00 C ATOM 354 O CYS A 25 -8.730 0.838 0.063 1.00 0.00 O ATOM 355 CB CYS A 25 -9.159 1.936 3.037 1.00 0.00 C ATOM 356 SG CYS A 25 -9.414 0.604 4.239 1.00 0.00 S ATOM 0 H CYS A 25 -8.231 3.651 1.440 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.134 1.356 2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.049 2.883 3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -10.042 2.025 2.404 1.00 0.00 H new ATOM 361 N HIS A 26 -7.680 -0.608 1.443 1.00 0.00 N ATOM 362 CA HIS A 26 -7.737 -1.768 0.567 1.00 0.00 C ATOM 363 C HIS A 26 -7.931 -3.020 1.419 1.00 0.00 C ATOM 364 O HIS A 26 -7.791 -2.967 2.641 1.00 0.00 O ATOM 365 CB HIS A 26 -6.424 -1.842 -0.210 1.00 0.00 C ATOM 366 CG HIS A 26 -5.232 -1.745 0.702 1.00 0.00 C ATOM 367 ND1 HIS A 26 -4.488 -0.605 0.943 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.707 -2.758 1.454 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.538 -0.920 1.842 1.00 0.00 C ATOM 370 NE2 HIS A 26 -3.655 -2.221 2.166 1.00 0.00 N ATOM 0 H HIS A 26 -7.241 -0.806 2.342 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.568 -1.691 -0.134 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.382 -2.779 -0.765 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.389 -1.035 -0.942 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.633 0.310 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -5.050 -3.782 1.485 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.800 -0.239 2.240 1.00 0.00 H new ATOM 379 N ARG A 27 -8.252 -4.149 0.791 1.00 0.00 N ATOM 380 CA ARG A 27 -8.496 -5.385 1.517 1.00 0.00 C ATOM 381 C ARG A 27 -7.185 -5.977 2.027 1.00 0.00 C ATOM 382 O ARG A 27 -6.200 -6.045 1.288 1.00 0.00 O ATOM 383 CB ARG A 27 -9.233 -6.366 0.601 1.00 0.00 C ATOM 384 CG ARG A 27 -10.566 -6.837 1.195 1.00 0.00 C ATOM 385 CD ARG A 27 -10.388 -7.564 2.529 1.00 0.00 C ATOM 386 NE ARG A 27 -9.522 -8.741 2.400 1.00 0.00 N ATOM 387 CZ ARG A 27 -9.924 -9.936 1.968 1.00 0.00 C ATOM 388 NH1 ARG A 27 -11.188 -10.144 1.600 1.00 0.00 N ATOM 389 NH2 ARG A 27 -9.049 -10.934 1.902 1.00 0.00 N ATOM 0 H ARG A 27 -8.348 -4.229 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.119 -5.181 2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.416 -5.890 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.597 -7.231 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.220 -5.977 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.062 -7.501 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.962 -6.879 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.363 -7.871 2.908 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.541 -8.637 2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.865 -9.382 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.479 -11.065 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.080 -10.782 2.181 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.347 -11.852 1.573 1.00 0.00 H new ATOM 403 N GLY A 28 -7.178 -6.400 3.292 1.00 0.00 N ATOM 404 CA GLY A 28 -6.026 -7.020 3.934 1.00 0.00 C ATOM 405 C GLY A 28 -6.184 -8.536 4.004 1.00 0.00 C ATOM 406 O GLY A 28 -6.859 -9.135 3.167 1.00 0.00 O ATOM 0 H GLY A 28 -7.988 -6.318 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.120 -6.771 3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.906 -6.617 4.940 1.00 0.00 H new ATOM 410 N ASP A 29 -5.560 -9.163 5.004 1.00 0.00 N ATOM 411 CA ASP A 29 -5.610 -10.610 5.182 1.00 0.00 C ATOM 412 C ASP A 29 -6.804 -11.045 6.033 1.00 0.00 C ATOM 413 O ASP A 29 -7.184 -12.217 6.003 1.00 0.00 O ATOM 414 CB ASP A 29 -4.298 -11.055 5.827 1.00 0.00 C ATOM 415 CG ASP A 29 -4.182 -12.575 5.891 1.00 0.00 C ATOM 416 OD1 ASP A 29 -4.101 -13.190 4.804 1.00 0.00 O ATOM 417 OD2 ASP A 29 -4.173 -13.109 7.022 1.00 0.00 O ATOM 0 H ASP A 29 -5.007 -8.679 5.711 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.737 -11.083 4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.459 -10.651 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.230 -10.643 6.834 1.00 0.00 H new ATOM 422 N VAL A 30 -7.399 -10.114 6.785 1.00 0.00 N ATOM 423 CA VAL A 30 -8.534 -10.409 7.652 1.00 0.00 C ATOM 424 C VAL A 30 -9.588 -9.300 7.616 1.00 0.00 C ATOM 425 O VAL A 30 -10.702 -9.484 8.107 1.00 0.00 O ATOM 426 CB VAL A 30 -8.005 -10.646 9.072 1.00 0.00 C ATOM 427 CG1 VAL A 30 -7.431 -9.361 9.673 1.00 0.00 C ATOM 428 CG2 VAL A 30 -9.099 -11.176 9.999 1.00 0.00 C ATOM 0 H VAL A 30 -7.105 -9.138 6.807 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.039 -11.306 7.294 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.215 -11.392 8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.064 -9.562 10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.609 -9.004 9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.210 -8.600 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.687 -11.332 10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.913 -10.453 10.052 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.478 -12.122 9.611 1.00 0.00 H new ATOM 438 N GLY A 31 -9.255 -8.142 7.039 1.00 0.00 N ATOM 439 CA GLY A 31 -10.165 -7.008 6.945 1.00 0.00 C ATOM 440 C GLY A 31 -9.493 -5.880 6.174 1.00 0.00 C ATOM 441 O GLY A 31 -8.319 -5.988 5.818 1.00 0.00 O ATOM 0 H GLY A 31 -8.340 -7.969 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.085 -7.307 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.442 -6.667 7.942 1.00 0.00 H new ATOM 445 N CYS A 32 -10.223 -4.795 5.912 1.00 0.00 N ATOM 446 CA CYS A 32 -9.665 -3.685 5.158 1.00 0.00 C ATOM 447 C CYS A 32 -8.755 -2.820 6.023 1.00 0.00 C ATOM 448 O CYS A 32 -9.030 -2.598 7.202 1.00 0.00 O ATOM 449 CB CYS A 32 -10.774 -2.859 4.511 1.00 0.00 C ATOM 450 SG CYS A 32 -11.631 -3.723 3.172 1.00 0.00 S ATOM 0 H CYS A 32 -11.190 -4.667 6.209 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.047 -4.099 4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.500 -2.578 5.274 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -10.347 -1.935 4.122 1.00 0.00 H new ATOM 455 N VAL A 33 -7.667 -2.334 5.420 1.00 0.00 N ATOM 456 CA VAL A 33 -6.661 -1.514 6.088 1.00 0.00 C ATOM 457 C VAL A 33 -6.081 -0.484 5.124 1.00 0.00 C ATOM 458 O VAL A 33 -6.250 -0.586 3.910 1.00 0.00 O ATOM 459 CB VAL A 33 -5.533 -2.395 6.645 1.00 0.00 C ATOM 460 CG1 VAL A 33 -6.053 -3.345 7.726 1.00 0.00 C ATOM 461 CG2 VAL A 33 -4.870 -3.214 5.540 1.00 0.00 C ATOM 0 H VAL A 33 -7.460 -2.504 4.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.144 -0.991 6.914 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.795 -1.722 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.231 -3.955 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.478 -2.766 8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.821 -3.992 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.076 -3.827 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.612 -3.859 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.447 -2.542 4.793 1.00 0.00 H new ATOM 471 N ARG A 34 -5.389 0.512 5.680 1.00 0.00 N ATOM 472 CA ARG A 34 -4.721 1.575 4.939 1.00 0.00 C ATOM 473 C ARG A 34 -3.315 1.728 5.503 1.00 0.00 C ATOM 474 O ARG A 34 -3.125 1.564 6.705 1.00 0.00 O ATOM 475 CB ARG A 34 -5.531 2.871 5.042 1.00 0.00 C ATOM 476 CG ARG A 34 -5.889 3.194 6.497 1.00 0.00 C ATOM 477 CD ARG A 34 -6.728 4.467 6.576 1.00 0.00 C ATOM 478 NE ARG A 34 -7.236 4.661 7.937 1.00 0.00 N ATOM 479 CZ ARG A 34 -7.732 5.808 8.403 1.00 0.00 C ATOM 480 NH1 ARG A 34 -7.785 6.890 7.628 1.00 0.00 N ATOM 481 NH2 ARG A 34 -8.176 5.878 9.656 1.00 0.00 N ATOM 0 H ARG A 34 -5.277 0.601 6.690 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.650 1.331 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.958 3.694 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.444 2.779 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.440 2.362 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.978 3.316 7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.126 5.326 6.280 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.561 4.405 5.876 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.208 3.863 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.444 6.847 6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.166 7.762 7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.136 5.055 10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.556 6.754 10.014 1.00 0.00 H new ATOM 495 N CYS A 35 -2.336 2.035 4.653 1.00 0.00 N ATOM 496 CA CYS A 35 -0.933 2.061 5.047 1.00 0.00 C ATOM 497 C CYS A 35 -0.293 3.415 4.737 1.00 0.00 C ATOM 498 O CYS A 35 -0.979 4.358 4.349 1.00 0.00 O ATOM 499 CB CYS A 35 -0.197 0.938 4.318 1.00 0.00 C ATOM 500 SG CYS A 35 -0.869 -0.736 4.500 1.00 0.00 S ATOM 0 H CYS A 35 -2.495 2.272 3.674 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.862 1.911 6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.174 1.181 3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.836 0.928 4.665 1.00 0.00 H new ATOM 505 N SER A 36 1.031 3.511 4.910 1.00 0.00 N ATOM 506 CA SER A 36 1.758 4.768 4.760 1.00 0.00 C ATOM 507 C SER A 36 2.530 4.858 3.441 1.00 0.00 C ATOM 508 O SER A 36 2.617 5.932 2.845 1.00 0.00 O ATOM 509 CB SER A 36 2.723 4.897 5.935 1.00 0.00 C ATOM 510 OG SER A 36 3.278 6.196 5.966 1.00 0.00 O ATOM 0 H SER A 36 1.623 2.718 5.157 1.00 0.00 H new ATOM 0 HA SER A 36 1.033 5.582 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.200 4.694 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.517 4.156 5.847 1.00 0.00 H new ATOM 0 HG SER A 36 3.895 6.270 6.724 1.00 0.00 H new ATOM 516 N ASN A 37 3.096 3.740 2.976 1.00 0.00 N ATOM 517 CA ASN A 37 3.928 3.723 1.780 1.00 0.00 C ATOM 518 C ASN A 37 3.841 2.350 1.108 1.00 0.00 C ATOM 519 O ASN A 37 3.097 1.485 1.570 1.00 0.00 O ATOM 520 CB ASN A 37 5.362 4.079 2.184 1.00 0.00 C ATOM 521 CG ASN A 37 6.234 4.479 1.005 1.00 0.00 C ATOM 522 OD1 ASN A 37 5.747 4.704 -0.097 1.00 0.00 O ATOM 523 ND2 ASN A 37 7.540 4.570 1.233 1.00 0.00 N ATOM 0 H ASN A 37 2.988 2.828 3.419 1.00 0.00 H new ATOM 0 HA ASN A 37 3.581 4.458 1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.337 4.897 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.813 3.225 2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.172 4.835 0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.910 4.375 2.163 1.00 0.00 H new ATOM 530 N ALA A 38 4.589 2.138 0.021 1.00 0.00 N ATOM 531 CA ALA A 38 4.540 0.891 -0.729 1.00 0.00 C ATOM 532 C ALA A 38 5.837 0.621 -1.482 1.00 0.00 C ATOM 533 O ALA A 38 6.691 1.499 -1.605 1.00 0.00 O ATOM 534 CB ALA A 38 3.402 0.972 -1.742 1.00 0.00 C ATOM 0 H ALA A 38 5.240 2.825 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 38 4.386 0.080 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.354 0.043 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.459 1.125 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.579 1.805 -2.422 1.00 0.00 H new ATOM 540 N GLN A 39 5.970 -0.606 -1.986 1.00 0.00 N ATOM 541 CA GLN A 39 7.061 -1.016 -2.854 1.00 0.00 C ATOM 542 C GLN A 39 6.607 -2.186 -3.729 1.00 0.00 C ATOM 543 O GLN A 39 5.589 -2.817 -3.450 1.00 0.00 O ATOM 544 CB GLN A 39 8.287 -1.411 -2.023 1.00 0.00 C ATOM 545 CG GLN A 39 7.992 -2.606 -1.115 1.00 0.00 C ATOM 546 CD GLN A 39 9.263 -3.099 -0.432 1.00 0.00 C ATOM 547 OE1 GLN A 39 9.739 -4.193 -0.718 1.00 0.00 O ATOM 548 NE2 GLN A 39 9.825 -2.306 0.473 1.00 0.00 N ATOM 0 H GLN A 39 5.305 -1.355 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 39 7.341 -0.180 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.115 -1.655 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.605 -0.563 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.257 -2.323 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.553 -3.413 -1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.406 -1.402 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.676 -2.601 0.952 1.00 0.00 H new ATOM 557 N CYS A 40 7.361 -2.476 -4.789 1.00 0.00 N ATOM 558 CA CYS A 40 7.066 -3.603 -5.659 1.00 0.00 C ATOM 559 C CYS A 40 7.912 -4.807 -5.241 1.00 0.00 C ATOM 560 O CYS A 40 9.069 -4.649 -4.845 1.00 0.00 O ATOM 561 CB CYS A 40 7.282 -3.213 -7.120 1.00 0.00 C ATOM 562 SG CYS A 40 6.154 -1.917 -7.706 1.00 0.00 S ATOM 0 H CYS A 40 8.184 -1.940 -5.063 1.00 0.00 H new ATOM 0 HA CYS A 40 6.018 -3.887 -5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.310 -2.872 -7.247 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.160 -4.098 -7.745 1.00 0.00 H new ATOM 567 N THR A 41 7.334 -6.006 -5.331 1.00 0.00 N ATOM 568 CA THR A 41 7.959 -7.247 -4.881 1.00 0.00 C ATOM 569 C THR A 41 7.718 -8.366 -5.887 1.00 0.00 C ATOM 570 O THR A 41 7.113 -8.151 -6.937 1.00 0.00 O ATOM 571 CB THR A 41 7.387 -7.646 -3.517 1.00 0.00 C ATOM 572 OG1 THR A 41 5.992 -7.831 -3.628 1.00 0.00 O ATOM 573 CG2 THR A 41 7.669 -6.580 -2.461 1.00 0.00 C ATOM 0 H THR A 41 6.403 -6.142 -5.725 1.00 0.00 H new ATOM 0 HA THR A 41 9.033 -7.085 -4.794 1.00 0.00 H new ATOM 0 HB THR A 41 7.869 -8.573 -3.206 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.546 -7.433 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.250 -6.895 -1.505 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.746 -6.446 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.213 -5.638 -2.765 1.00 0.00 H new ATOM 581 N GLY A 42 8.197 -9.571 -5.561 1.00 0.00 N ATOM 582 CA GLY A 42 8.060 -10.729 -6.430 1.00 0.00 C ATOM 583 C GLY A 42 9.047 -10.662 -7.591 1.00 0.00 C ATOM 584 O GLY A 42 9.837 -9.723 -7.693 1.00 0.00 O ATOM 0 H GLY A 42 8.688 -9.764 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.229 -11.640 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.042 -10.780 -6.816 1.00 0.00 H new ATOM 588 N PHE A 43 9.009 -11.661 -8.475 1.00 0.00 N ATOM 589 CA PHE A 43 9.911 -11.701 -9.614 1.00 0.00 C ATOM 590 C PHE A 43 9.607 -10.544 -10.559 1.00 0.00 C ATOM 591 O PHE A 43 8.443 -10.231 -10.801 1.00 0.00 O ATOM 592 CB PHE A 43 9.786 -13.045 -10.331 1.00 0.00 C ATOM 593 CG PHE A 43 10.803 -13.235 -11.436 1.00 0.00 C ATOM 594 CD1 PHE A 43 10.520 -12.806 -12.741 1.00 0.00 C ATOM 595 CD2 PHE A 43 12.035 -13.847 -11.158 1.00 0.00 C ATOM 596 CE1 PHE A 43 11.466 -12.985 -13.762 1.00 0.00 C ATOM 597 CE2 PHE A 43 12.979 -14.030 -12.178 1.00 0.00 C ATOM 598 CZ PHE A 43 12.695 -13.596 -13.480 1.00 0.00 C ATOM 0 H PHE A 43 8.363 -12.448 -8.419 1.00 0.00 H new ATOM 0 HA PHE A 43 10.939 -11.595 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.898 -13.848 -9.603 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.784 -13.132 -10.751 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.572 -12.337 -12.961 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.257 -14.178 -10.154 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.247 -12.652 -14.766 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.924 -14.505 -11.961 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.423 -13.732 -14.266 1.00 0.00 H new ATOM 608 N LEU A 44 10.659 -9.913 -11.089 1.00 0.00 N ATOM 609 CA LEU A 44 10.558 -8.771 -11.989 1.00 0.00 C ATOM 610 C LEU A 44 9.691 -7.644 -11.412 1.00 0.00 C ATOM 611 O LEU A 44 9.243 -6.766 -12.146 1.00 0.00 O ATOM 612 CB LEU A 44 10.113 -9.268 -13.370 1.00 0.00 C ATOM 613 CG LEU A 44 10.420 -8.291 -14.512 1.00 0.00 C ATOM 614 CD1 LEU A 44 11.926 -8.105 -14.694 1.00 0.00 C ATOM 615 CD2 LEU A 44 9.847 -8.858 -15.808 1.00 0.00 C ATOM 0 H LEU A 44 11.622 -10.191 -10.898 1.00 0.00 H new ATOM 0 HA LEU A 44 11.537 -8.306 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.603 -10.219 -13.578 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.040 -9.460 -13.348 1.00 0.00 H new ATOM 0 HG LEU A 44 9.974 -7.327 -14.269 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.110 -7.407 -15.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.358 -7.710 -13.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.386 -9.065 -14.927 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.058 -8.173 -16.629 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.304 -9.825 -16.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.769 -8.981 -15.706 1.00 0.00 H new ATOM 627 N GLY A 45 9.444 -7.661 -10.097 1.00 0.00 N ATOM 628 CA GLY A 45 8.660 -6.628 -9.440 1.00 0.00 C ATOM 629 C GLY A 45 7.182 -6.697 -9.820 1.00 0.00 C ATOM 630 O GLY A 45 6.478 -5.697 -9.713 1.00 0.00 O ATOM 0 H GLY A 45 9.783 -8.389 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.761 -6.730 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.057 -5.648 -9.706 1.00 0.00 H new ATOM 634 N THR A 46 6.699 -7.862 -10.265 1.00 0.00 N ATOM 635 CA THR A 46 5.334 -8.015 -10.768 1.00 0.00 C ATOM 636 C THR A 46 4.266 -8.058 -9.673 1.00 0.00 C ATOM 637 O THR A 46 3.110 -8.368 -9.965 1.00 0.00 O ATOM 638 CB THR A 46 5.228 -9.251 -11.667 1.00 0.00 C ATOM 639 OG1 THR A 46 5.659 -10.404 -10.978 1.00 0.00 O ATOM 640 CG2 THR A 46 6.073 -9.068 -12.924 1.00 0.00 C ATOM 0 H THR A 46 7.245 -8.723 -10.286 1.00 0.00 H new ATOM 0 HA THR A 46 5.130 -7.116 -11.350 1.00 0.00 H new ATOM 0 HB THR A 46 4.183 -9.374 -11.950 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.638 -10.445 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.987 -9.955 -13.552 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.720 -8.197 -13.476 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.116 -8.922 -12.643 1.00 0.00 H new ATOM 648 N THR A 47 4.623 -7.754 -8.422 1.00 0.00 N ATOM 649 CA THR A 47 3.679 -7.758 -7.311 1.00 0.00 C ATOM 650 C THR A 47 3.778 -6.454 -6.526 1.00 0.00 C ATOM 651 O THR A 47 4.825 -5.813 -6.515 1.00 0.00 O ATOM 652 CB THR A 47 3.947 -8.970 -6.411 1.00 0.00 C ATOM 653 OG1 THR A 47 3.897 -10.156 -7.176 1.00 0.00 O ATOM 654 CG2 THR A 47 2.907 -9.087 -5.298 1.00 0.00 C ATOM 0 H THR A 47 5.574 -7.499 -8.156 1.00 0.00 H new ATOM 0 HA THR A 47 2.664 -7.835 -7.700 1.00 0.00 H new ATOM 0 HB THR A 47 4.933 -8.831 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.071 -10.927 -6.596 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.130 -9.958 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.932 -8.189 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.915 -9.198 -5.737 1.00 0.00 H new ATOM 662 N CYS A 48 2.682 -6.060 -5.869 1.00 0.00 N ATOM 663 CA CYS A 48 2.618 -4.854 -5.055 1.00 0.00 C ATOM 664 C CYS A 48 2.544 -5.225 -3.576 1.00 0.00 C ATOM 665 O CYS A 48 1.871 -6.188 -3.211 1.00 0.00 O ATOM 666 CB CYS A 48 1.405 -4.030 -5.488 1.00 0.00 C ATOM 667 SG CYS A 48 1.010 -2.618 -4.417 1.00 0.00 S ATOM 0 H CYS A 48 1.805 -6.581 -5.892 1.00 0.00 H new ATOM 0 HA CYS A 48 3.517 -4.254 -5.198 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.578 -3.662 -6.499 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.536 -4.687 -5.532 1.00 0.00 H new ATOM 672 N THR A 49 3.232 -4.454 -2.728 1.00 0.00 N ATOM 673 CA THR A 49 3.234 -4.661 -1.282 1.00 0.00 C ATOM 674 C THR A 49 3.242 -3.311 -0.568 1.00 0.00 C ATOM 675 O THR A 49 3.826 -2.351 -1.067 1.00 0.00 O ATOM 676 CB THR A 49 4.457 -5.502 -0.884 1.00 0.00 C ATOM 677 OG1 THR A 49 4.379 -6.770 -1.496 1.00 0.00 O ATOM 678 CG2 THR A 49 4.519 -5.721 0.626 1.00 0.00 C ATOM 0 H THR A 49 3.805 -3.666 -3.030 1.00 0.00 H new ATOM 0 HA THR A 49 2.334 -5.199 -0.986 1.00 0.00 H new ATOM 0 HB THR A 49 5.345 -4.959 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.967 -7.397 -1.026 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.396 -6.320 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.585 -4.757 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.620 -6.243 0.955 1.00 0.00 H new ATOM 686 N CYS A 50 2.593 -3.235 0.597 1.00 0.00 N ATOM 687 CA CYS A 50 2.491 -2.001 1.364 1.00 0.00 C ATOM 688 C CYS A 50 3.495 -1.978 2.516 1.00 0.00 C ATOM 689 O CYS A 50 4.053 -3.009 2.889 1.00 0.00 O ATOM 690 CB CYS A 50 1.060 -1.824 1.870 1.00 0.00 C ATOM 691 SG CYS A 50 -0.213 -1.842 0.577 1.00 0.00 S ATOM 0 H CYS A 50 2.125 -4.030 1.031 1.00 0.00 H new ATOM 0 HA CYS A 50 2.736 -1.163 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.842 -2.617 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.995 -0.880 2.411 1.00 0.00 H new ATOM 696 N ILE A 51 3.717 -0.787 3.080 1.00 0.00 N ATOM 697 CA ILE A 51 4.673 -0.556 4.154 1.00 0.00 C ATOM 698 C ILE A 51 3.941 -0.190 5.443 1.00 0.00 C ATOM 699 O ILE A 51 2.937 0.517 5.403 1.00 0.00 O ATOM 700 CB ILE A 51 5.636 0.559 3.735 1.00 0.00 C ATOM 701 CG1 ILE A 51 6.394 0.210 2.449 1.00 0.00 C ATOM 702 CG2 ILE A 51 6.630 0.882 4.856 1.00 0.00 C ATOM 703 CD1 ILE A 51 7.271 -1.034 2.588 1.00 0.00 C ATOM 0 H ILE A 51 3.224 0.058 2.793 1.00 0.00 H new ATOM 0 HA ILE A 51 5.243 -1.466 4.342 1.00 0.00 H new ATOM 0 HB ILE A 51 5.027 1.441 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.677 0.053 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.018 1.056 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.301 1.677 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.086 1.208 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.212 -0.008 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.780 -1.227 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.010 -0.872 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.649 -1.891 2.847 1.00 0.00 H new ATOM 715 N ASN A 52 4.445 -0.669 6.585 1.00 0.00 N ATOM 716 CA ASN A 52 3.838 -0.431 7.886 1.00 0.00 C ATOM 717 C ASN A 52 4.007 1.027 8.319 1.00 0.00 C ATOM 718 O ASN A 52 4.931 1.704 7.866 1.00 0.00 O ATOM 719 CB ASN A 52 4.457 -1.399 8.901 1.00 0.00 C ATOM 720 CG ASN A 52 5.955 -1.179 9.056 1.00 0.00 C ATOM 721 OD1 ASN A 52 6.750 -1.730 8.299 1.00 0.00 O ATOM 722 ND2 ASN A 52 6.356 -0.377 10.037 1.00 0.00 N ATOM 0 H ASN A 52 5.292 -1.236 6.626 1.00 0.00 H new ATOM 0 HA ASN A 52 2.765 -0.613 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.970 -1.272 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.272 -2.425 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.351 -0.203 10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.669 0.065 10.648 1.00 0.00 H new ATOM 729 N PRO A 53 3.128 1.533 9.198 1.00 0.00 N ATOM 730 CA PRO A 53 1.984 0.840 9.772 1.00 0.00 C ATOM 731 C PRO A 53 0.843 0.711 8.764 1.00 0.00 C ATOM 732 O PRO A 53 0.839 1.385 7.735 1.00 0.00 O ATOM 733 CB PRO A 53 1.571 1.700 10.965 1.00 0.00 C ATOM 734 CG PRO A 53 1.917 3.109 10.494 1.00 0.00 C ATOM 735 CD PRO A 53 3.209 2.888 9.710 1.00 0.00 C ATOM 0 HA PRO A 53 2.231 -0.181 10.064 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.510 1.597 11.191 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.117 1.429 11.869 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.131 3.532 9.869 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.062 3.792 11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.303 3.609 8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.082 3.014 10.350 1.00 0.00 H new ATOM 743 N CYS A 54 -0.121 -0.157 9.072 1.00 0.00 N ATOM 744 CA CYS A 54 -1.287 -0.402 8.235 1.00 0.00 C ATOM 745 C CYS A 54 -2.548 -0.528 9.099 1.00 0.00 C ATOM 746 O CYS A 54 -3.127 -1.610 9.190 1.00 0.00 O ATOM 747 CB CYS A 54 -1.075 -1.670 7.412 1.00 0.00 C ATOM 748 SG CYS A 54 0.138 -1.568 6.071 1.00 0.00 S ATOM 0 H CYS A 54 -0.110 -0.717 9.925 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.420 0.441 7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.770 -2.469 8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.033 -1.963 6.984 1.00 0.00 H new ATOM 753 N PRO A 55 -2.990 0.565 9.740 1.00 0.00 N ATOM 754 CA PRO A 55 -4.192 0.597 10.563 1.00 0.00 C ATOM 755 C PRO A 55 -5.450 0.391 9.717 1.00 0.00 C ATOM 756 O PRO A 55 -5.412 0.451 8.489 1.00 0.00 O ATOM 757 CB PRO A 55 -4.191 1.981 11.217 1.00 0.00 C ATOM 758 CG PRO A 55 -3.439 2.835 10.199 1.00 0.00 C ATOM 759 CD PRO A 55 -2.357 1.870 9.716 1.00 0.00 C ATOM 0 HA PRO A 55 -4.196 -0.204 11.303 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.203 2.350 11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.690 1.971 12.185 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.085 3.164 9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.015 3.731 10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.017 2.127 8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.483 1.898 10.366 1.00 0.00 H new ATOM 767 N ARG A 56 -6.583 0.147 10.383 1.00 0.00 N ATOM 768 CA ARG A 56 -7.865 -0.072 9.715 1.00 0.00 C ATOM 769 C ARG A 56 -8.481 1.252 9.267 1.00 0.00 C ATOM 770 O ARG A 56 -7.970 2.322 9.601 1.00 0.00 O ATOM 771 CB ARG A 56 -8.806 -0.844 10.643 1.00 0.00 C ATOM 772 CG ARG A 56 -8.225 -2.219 10.981 1.00 0.00 C ATOM 773 CD ARG A 56 -9.240 -3.047 11.762 1.00 0.00 C ATOM 774 NE ARG A 56 -8.687 -4.356 12.126 1.00 0.00 N ATOM 775 CZ ARG A 56 -9.368 -5.309 12.770 1.00 0.00 C ATOM 776 NH1 ARG A 56 -10.633 -5.114 13.128 1.00 0.00 N ATOM 777 NH2 ARG A 56 -8.786 -6.469 13.061 1.00 0.00 N ATOM 0 H ARG A 56 -6.635 0.096 11.400 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.700 -0.669 8.818 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.967 -0.277 11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.779 -0.962 10.166 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.950 -2.740 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.314 -2.102 11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.535 -2.510 12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.141 -3.183 11.163 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.719 -4.552 11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.094 -4.230 12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.143 -5.848 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.816 -6.634 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.310 -7.193 13.553 1.00 0.00 H new ATOM 791 N CYS A 57 -9.582 1.181 8.510 1.00 0.00 N ATOM 792 CA CYS A 57 -10.276 2.362 8.010 1.00 0.00 C ATOM 793 C CYS A 57 -11.773 2.295 8.314 1.00 0.00 C ATOM 794 O CYS A 57 -12.285 1.172 8.524 1.00 0.00 O ATOM 795 CB CYS A 57 -10.016 2.510 6.509 1.00 0.00 C ATOM 796 SG CYS A 57 -10.877 1.306 5.465 1.00 0.00 S ATOM 797 OXT CYS A 57 -12.399 3.379 8.335 1.00 0.00 O ATOM 0 H CYS A 57 -10.013 0.300 8.229 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.888 3.243 8.521 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.311 3.513 6.201 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.944 2.424 6.330 1.00 0.00 H new