USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0923 (180deg=-0.173) USER MOD Single : A 4 GLN : amide:sc= -1.5! C(o=-1.5!,f=-6!) USER MOD Single : A 10 LYS NZ :NH3+ 154:sc= -0.459 (180deg=-2.47!) USER MOD Single : A 11 THR OG1 : rot 50:sc= -2.38! USER MOD Single : A 12 THR OG1 : rot -144:sc= -1.07! USER MOD Single : A 13 LYS NZ :NH3+ 139:sc= -2.25! (180deg=-3.76!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -118:sc= -0.955 (180deg=-6.01!) USER MOD Single : A 24 ASN : amide:sc= 0.368 K(o=0.37,f=-9!) USER MOD Single : A 29 THR OG1 : rot 24:sc= 0.536 USER MOD Single : A 33 SER OG : rot -150:sc= -3.21! USER MOD Single : A 45 ASN : amide:sc= -3.98! C(o=-4!,f=-4.8!) USER MOD Single : A 51 THR OG1 : rot 140:sc= 0.447 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -5:sc= 0.106! USER MOD Single : A 57 ASN : amide:sc= -7.79! C(o=-7.8!,f=-11!) USER MOD Single : A 61 GLN : amide:sc= -0.44 K(o=-0.44,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.242 -5.622 -9.265 1.00 0.00 N ATOM 2 CA MET A 1 -10.004 -6.740 -8.639 1.00 0.00 C ATOM 3 C MET A 1 -10.772 -6.237 -7.411 1.00 0.00 C ATOM 4 O MET A 1 -11.674 -6.887 -6.923 1.00 0.00 O ATOM 5 CB MET A 1 -8.943 -7.761 -8.227 1.00 0.00 C ATOM 6 CG MET A 1 -9.590 -8.864 -7.388 1.00 0.00 C ATOM 7 SD MET A 1 -9.098 -10.482 -8.033 1.00 0.00 S ATOM 8 CE MET A 1 -10.714 -11.284 -7.894 1.00 0.00 C ATOM 0 H1 MET A 1 -8.952 -5.895 -10.226 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.844 -4.775 -9.312 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.398 -5.415 -8.694 1.00 0.00 H new ATOM 0 HA MET A 1 -10.740 -7.169 -9.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.475 -8.191 -9.112 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.155 -7.271 -7.656 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.286 -8.768 -6.346 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.675 -8.765 -7.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.641 -12.313 -8.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.035 -11.278 -6.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.441 -10.745 -8.501 1.00 0.00 H new ATOM 20 N ASP A 2 -10.421 -5.083 -6.911 1.00 0.00 N ATOM 21 CA ASP A 2 -11.132 -4.542 -5.717 1.00 0.00 C ATOM 22 C ASP A 2 -11.316 -5.642 -4.666 1.00 0.00 C ATOM 23 O ASP A 2 -10.452 -6.472 -4.464 1.00 0.00 O ATOM 24 CB ASP A 2 -12.488 -4.072 -6.243 1.00 0.00 C ATOM 25 CG ASP A 2 -12.287 -3.277 -7.534 1.00 0.00 C ATOM 26 OD1 ASP A 2 -11.804 -3.856 -8.493 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.620 -2.103 -7.543 1.00 0.00 O ATOM 0 H ASP A 2 -9.674 -4.492 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.578 -3.735 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.135 -4.929 -6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.985 -3.453 -5.496 1.00 0.00 H new ATOM 32 N ASP A 3 -12.439 -5.657 -3.998 1.00 0.00 N ATOM 33 CA ASP A 3 -12.684 -6.704 -2.962 1.00 0.00 C ATOM 34 C ASP A 3 -11.580 -6.676 -1.896 1.00 0.00 C ATOM 35 O ASP A 3 -11.575 -5.829 -1.024 1.00 0.00 O ATOM 36 CB ASP A 3 -12.676 -8.026 -3.731 1.00 0.00 C ATOM 37 CG ASP A 3 -13.892 -8.084 -4.658 1.00 0.00 C ATOM 38 OD1 ASP A 3 -14.362 -7.029 -5.051 1.00 0.00 O ATOM 39 OD2 ASP A 3 -14.332 -9.182 -4.958 1.00 0.00 O ATOM 0 H ASP A 3 -13.199 -4.988 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.624 -6.551 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.758 -8.116 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.696 -8.864 -3.035 1.00 0.00 H new ATOM 44 N GLN A 4 -10.642 -7.587 -1.953 1.00 0.00 N ATOM 45 CA GLN A 4 -9.551 -7.591 -0.936 1.00 0.00 C ATOM 46 C GLN A 4 -8.579 -6.441 -1.206 1.00 0.00 C ATOM 47 O GLN A 4 -8.605 -5.428 -0.536 1.00 0.00 O ATOM 48 CB GLN A 4 -8.850 -8.940 -1.107 1.00 0.00 C ATOM 49 CG GLN A 4 -7.681 -9.038 -0.125 1.00 0.00 C ATOM 50 CD GLN A 4 -8.222 -9.163 1.300 1.00 0.00 C ATOM 51 OE1 GLN A 4 -9.390 -8.933 1.541 1.00 0.00 O ATOM 52 NE2 GLN A 4 -7.415 -9.519 2.263 1.00 0.00 N ATOM 0 H GLN A 4 -10.585 -8.324 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.929 -7.458 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.555 -9.753 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.489 -9.047 -2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.060 -9.901 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.047 -8.155 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.434 -9.712 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.766 -9.604 3.217 1.00 0.00 H new ATOM 61 N GLY A 5 -7.731 -6.590 -2.189 1.00 0.00 N ATOM 62 CA GLY A 5 -6.755 -5.509 -2.525 1.00 0.00 C ATOM 63 C GLY A 5 -6.239 -4.840 -1.250 1.00 0.00 C ATOM 64 O GLY A 5 -5.650 -5.478 -0.399 1.00 0.00 O ATOM 0 H GLY A 5 -7.671 -7.420 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.920 -5.926 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.231 -4.767 -3.165 1.00 0.00 H new ATOM 68 N CYS A 6 -6.443 -3.552 -1.126 1.00 0.00 N ATOM 69 CA CYS A 6 -5.963 -2.809 0.073 1.00 0.00 C ATOM 70 C CYS A 6 -5.998 -3.674 1.343 1.00 0.00 C ATOM 71 O CYS A 6 -7.016 -3.782 1.995 1.00 0.00 O ATOM 72 CB CYS A 6 -6.918 -1.616 0.212 1.00 0.00 C ATOM 73 SG CYS A 6 -6.688 -0.875 1.826 1.00 0.00 S ATOM 0 H CYS A 6 -6.929 -2.979 -1.816 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.924 -2.504 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.722 -0.883 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.951 -1.943 0.091 1.00 0.00 H new ATOM 78 N PRO A 7 -4.862 -4.238 1.658 1.00 0.00 N ATOM 79 CA PRO A 7 -4.734 -5.075 2.870 1.00 0.00 C ATOM 80 C PRO A 7 -4.426 -4.209 4.107 1.00 0.00 C ATOM 81 O PRO A 7 -4.331 -4.711 5.209 1.00 0.00 O ATOM 82 CB PRO A 7 -3.549 -5.976 2.546 1.00 0.00 C ATOM 83 CG PRO A 7 -2.729 -5.224 1.538 1.00 0.00 C ATOM 84 CD PRO A 7 -3.606 -4.165 0.911 1.00 0.00 C ATOM 0 HA PRO A 7 -5.646 -5.624 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.966 -6.193 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.883 -6.932 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.864 -4.766 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.348 -5.903 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.154 -3.177 0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.764 -4.358 -0.150 1.00 0.00 H new ATOM 92 N ARG A 8 -4.263 -2.919 3.939 1.00 0.00 N ATOM 93 CA ARG A 8 -3.953 -2.049 5.120 1.00 0.00 C ATOM 94 C ARG A 8 -5.130 -1.117 5.442 1.00 0.00 C ATOM 95 O ARG A 8 -5.682 -1.159 6.524 1.00 0.00 O ATOM 96 CB ARG A 8 -2.708 -1.244 4.723 1.00 0.00 C ATOM 97 CG ARG A 8 -1.879 -0.943 5.972 1.00 0.00 C ATOM 98 CD ARG A 8 -0.402 -0.824 5.591 1.00 0.00 C ATOM 99 NE ARG A 8 0.202 0.018 6.661 1.00 0.00 N ATOM 100 CZ ARG A 8 0.078 -0.328 7.912 1.00 0.00 C ATOM 101 NH1 ARG A 8 0.550 -1.473 8.323 1.00 0.00 N ATOM 102 NH2 ARG A 8 -0.516 0.472 8.755 1.00 0.00 N ATOM 0 H ARG A 8 -4.330 -2.433 3.045 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.779 -2.641 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.112 -1.806 4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.002 -0.315 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.222 -0.017 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.012 -1.735 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.074 -1.803 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.283 -0.363 4.611 1.00 0.00 H new ATOM 0 HE ARG A 8 0.713 0.866 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.016 -2.098 7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.453 -1.743 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.883 1.368 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.613 0.201 9.734 1.00 0.00 H new ATOM 116 N CYS A 9 -5.529 -0.283 4.518 1.00 0.00 N ATOM 117 CA CYS A 9 -6.690 0.636 4.804 1.00 0.00 C ATOM 118 C CYS A 9 -7.968 0.111 4.144 1.00 0.00 C ATOM 119 O CYS A 9 -8.725 0.868 3.573 1.00 0.00 O ATOM 120 CB CYS A 9 -6.355 2.040 4.243 1.00 0.00 C ATOM 121 SG CYS A 9 -4.828 2.086 3.247 1.00 0.00 S ATOM 0 H CYS A 9 -5.115 -0.192 3.590 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.856 0.686 5.880 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.188 2.385 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.258 2.740 5.073 1.00 0.00 H new ATOM 126 N LYS A 10 -8.173 -1.188 4.192 1.00 0.00 N ATOM 127 CA LYS A 10 -9.369 -1.832 3.542 1.00 0.00 C ATOM 128 C LYS A 10 -10.462 -0.816 3.175 1.00 0.00 C ATOM 129 O LYS A 10 -11.424 -0.624 3.885 1.00 0.00 O ATOM 130 CB LYS A 10 -9.874 -2.868 4.561 1.00 0.00 C ATOM 131 CG LYS A 10 -10.650 -2.199 5.704 1.00 0.00 C ATOM 132 CD LYS A 10 -9.937 -0.918 6.148 1.00 0.00 C ATOM 133 CE LYS A 10 -10.591 -0.385 7.427 1.00 0.00 C ATOM 134 NZ LYS A 10 -10.702 -1.568 8.325 1.00 0.00 N ATOM 0 H LYS A 10 -7.550 -1.843 4.664 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.097 -2.293 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.516 -3.592 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.028 -3.421 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.663 -1.965 5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.737 -2.886 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.880 -1.120 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.991 -0.167 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.987 0.400 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.570 0.046 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.711 -1.252 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.583 -2.081 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.890 -2.199 8.170 1.00 0.00 H new ATOM 148 N THR A 11 -10.322 -0.153 2.057 1.00 0.00 N ATOM 149 CA THR A 11 -11.363 0.839 1.672 1.00 0.00 C ATOM 150 C THR A 11 -11.123 1.370 0.253 1.00 0.00 C ATOM 151 O THR A 11 -12.021 1.460 -0.550 1.00 0.00 O ATOM 152 CB THR A 11 -11.219 1.962 2.721 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.500 2.487 3.031 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.314 3.095 2.205 1.00 0.00 C ATOM 0 H THR A 11 -9.544 -0.254 1.405 1.00 0.00 H new ATOM 0 HA THR A 11 -12.365 0.409 1.658 1.00 0.00 H new ATOM 0 HB THR A 11 -10.761 1.537 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.114 1.751 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.232 3.871 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.323 2.697 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.745 3.520 1.298 1.00 0.00 H new ATOM 162 N THR A 12 -9.919 1.753 -0.031 1.00 0.00 N ATOM 163 CA THR A 12 -9.585 2.335 -1.361 1.00 0.00 C ATOM 164 C THR A 12 -10.283 1.632 -2.530 1.00 0.00 C ATOM 165 O THR A 12 -11.453 1.851 -2.778 1.00 0.00 O ATOM 166 CB THR A 12 -8.074 2.207 -1.434 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.665 1.009 -0.789 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.483 3.408 -0.722 1.00 0.00 C ATOM 0 H THR A 12 -9.131 1.688 0.613 1.00 0.00 H new ATOM 0 HA THR A 12 -9.933 3.364 -1.451 1.00 0.00 H new ATOM 0 HB THR A 12 -7.736 2.172 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.810 1.158 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.395 3.351 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.813 4.322 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.816 3.416 0.316 1.00 0.00 H new ATOM 176 N LYS A 13 -9.575 0.835 -3.284 1.00 0.00 N ATOM 177 CA LYS A 13 -10.202 0.180 -4.460 1.00 0.00 C ATOM 178 C LYS A 13 -11.616 -0.314 -4.133 1.00 0.00 C ATOM 179 O LYS A 13 -12.451 -0.432 -5.008 1.00 0.00 O ATOM 180 CB LYS A 13 -9.243 -0.948 -4.834 1.00 0.00 C ATOM 181 CG LYS A 13 -9.544 -2.192 -4.008 1.00 0.00 C ATOM 182 CD LYS A 13 -9.039 -1.983 -2.589 1.00 0.00 C ATOM 183 CE LYS A 13 -9.194 -3.295 -1.813 1.00 0.00 C ATOM 184 NZ LYS A 13 -10.658 -3.447 -1.592 1.00 0.00 N ATOM 0 H LYS A 13 -8.591 0.611 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.343 0.863 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.336 -1.177 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.214 -0.631 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.616 -2.388 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.064 -3.064 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.994 -1.673 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.602 -1.187 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.792 -4.136 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.655 -3.259 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.930 -4.440 -1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.894 -3.161 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.175 -2.845 -2.265 1.00 0.00 H new ATOM 198 N TYR A 14 -11.915 -0.567 -2.887 1.00 0.00 N ATOM 199 CA TYR A 14 -13.294 -1.001 -2.547 1.00 0.00 C ATOM 200 C TYR A 14 -14.214 0.217 -2.676 1.00 0.00 C ATOM 201 O TYR A 14 -15.263 0.162 -3.286 1.00 0.00 O ATOM 202 CB TYR A 14 -13.214 -1.520 -1.104 1.00 0.00 C ATOM 203 CG TYR A 14 -14.392 -2.424 -0.812 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.512 -2.422 -1.654 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.362 -3.264 0.307 1.00 0.00 C ATOM 206 CE1 TYR A 14 -16.598 -3.260 -1.376 1.00 0.00 C ATOM 207 CE2 TYR A 14 -15.448 -4.102 0.585 1.00 0.00 C ATOM 208 CZ TYR A 14 -16.566 -4.099 -0.258 1.00 0.00 C ATOM 209 OH TYR A 14 -17.637 -4.926 0.015 1.00 0.00 O ATOM 0 H TYR A 14 -11.270 -0.492 -2.100 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.689 -1.780 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.282 -2.065 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.207 -0.682 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.537 -1.774 -2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.500 -3.266 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.461 -3.259 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -15.424 -4.750 1.449 1.00 0.00 H new ATOM 0 HH TYR A 14 -17.452 -5.443 0.826 1.00 0.00 H new ATOM 219 N ARG A 15 -13.792 1.331 -2.142 1.00 0.00 N ATOM 220 CA ARG A 15 -14.585 2.587 -2.258 1.00 0.00 C ATOM 221 C ARG A 15 -14.156 3.321 -3.527 1.00 0.00 C ATOM 222 O ARG A 15 -14.884 3.407 -4.496 1.00 0.00 O ATOM 223 CB ARG A 15 -14.219 3.407 -1.020 1.00 0.00 C ATOM 224 CG ARG A 15 -15.315 3.252 0.031 1.00 0.00 C ATOM 225 CD ARG A 15 -14.833 2.293 1.119 1.00 0.00 C ATOM 226 NE ARG A 15 -14.442 1.049 0.395 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.291 0.063 0.301 1.00 0.00 C ATOM 228 NH1 ARG A 15 -16.166 0.046 -0.667 1.00 0.00 N ATOM 229 NH2 ARG A 15 -15.269 -0.902 1.180 1.00 0.00 N ATOM 0 H ARG A 15 -12.919 1.425 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.659 2.410 -2.316 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.263 3.072 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.102 4.457 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.559 4.221 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.226 2.871 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.989 2.711 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.620 2.095 1.847 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.516 0.970 -0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.186 0.803 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.830 -0.725 -0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.588 -0.885 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.932 -1.673 1.107 1.00 0.00 H new ATOM 243 N ASN A 16 -12.955 3.832 -3.519 1.00 0.00 N ATOM 244 CA ASN A 16 -12.422 4.548 -4.710 1.00 0.00 C ATOM 245 C ASN A 16 -12.274 3.551 -5.870 1.00 0.00 C ATOM 246 O ASN A 16 -11.720 2.486 -5.691 1.00 0.00 O ATOM 247 CB ASN A 16 -11.057 5.063 -4.247 1.00 0.00 C ATOM 248 CG ASN A 16 -11.160 6.531 -3.840 1.00 0.00 C ATOM 249 OD1 ASN A 16 -12.224 7.117 -3.882 1.00 0.00 O ATOM 250 ND2 ASN A 16 -10.083 7.153 -3.445 1.00 0.00 N ATOM 0 H ASN A 16 -12.314 3.782 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.063 5.355 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.702 4.468 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.326 4.950 -5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.132 8.134 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.192 6.658 -3.411 1.00 0.00 H new ATOM 257 N PRO A 17 -12.801 3.907 -7.014 1.00 0.00 N ATOM 258 CA PRO A 17 -12.745 3.017 -8.197 1.00 0.00 C ATOM 259 C PRO A 17 -11.543 3.309 -9.113 1.00 0.00 C ATOM 260 O PRO A 17 -10.724 2.449 -9.366 1.00 0.00 O ATOM 261 CB PRO A 17 -14.042 3.360 -8.921 1.00 0.00 C ATOM 262 CG PRO A 17 -14.391 4.765 -8.497 1.00 0.00 C ATOM 263 CD PRO A 17 -13.511 5.143 -7.324 1.00 0.00 C ATOM 0 HA PRO A 17 -12.634 1.969 -7.917 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.915 3.298 -10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.835 2.662 -8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.240 5.459 -9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.443 4.827 -8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.822 5.947 -7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.101 5.490 -6.476 1.00 0.00 H new ATOM 271 N SER A 18 -11.458 4.499 -9.648 1.00 0.00 N ATOM 272 CA SER A 18 -10.336 4.834 -10.585 1.00 0.00 C ATOM 273 C SER A 18 -8.964 4.506 -9.977 1.00 0.00 C ATOM 274 O SER A 18 -8.048 4.112 -10.671 1.00 0.00 O ATOM 275 CB SER A 18 -10.464 6.337 -10.823 1.00 0.00 C ATOM 276 OG SER A 18 -9.168 6.921 -10.851 1.00 0.00 O ATOM 0 H SER A 18 -12.118 5.258 -9.478 1.00 0.00 H new ATOM 0 HA SER A 18 -10.401 4.252 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.980 6.525 -11.764 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.063 6.792 -10.034 1.00 0.00 H new ATOM 0 HG SER A 18 -9.247 7.886 -11.005 1.00 0.00 H new ATOM 282 N LEU A 19 -8.816 4.677 -8.696 1.00 0.00 N ATOM 283 CA LEU A 19 -7.504 4.391 -8.034 1.00 0.00 C ATOM 284 C LEU A 19 -6.994 2.983 -8.395 1.00 0.00 C ATOM 285 O LEU A 19 -7.511 2.331 -9.281 1.00 0.00 O ATOM 286 CB LEU A 19 -7.838 4.463 -6.541 1.00 0.00 C ATOM 287 CG LEU A 19 -8.415 3.116 -6.088 1.00 0.00 C ATOM 288 CD1 LEU A 19 -8.939 3.227 -4.660 1.00 0.00 C ATOM 289 CD2 LEU A 19 -9.559 2.732 -7.032 1.00 0.00 C ATOM 0 H LEU A 19 -9.550 5.005 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.721 5.085 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.942 4.700 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.557 5.261 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.637 2.353 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.347 2.266 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.124 3.510 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.722 3.985 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.980 1.775 -6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.333 3.498 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.178 2.649 -8.050 1.00 0.00 H new ATOM 301 N LYS A 20 -6.008 2.499 -7.685 1.00 0.00 N ATOM 302 CA LYS A 20 -5.499 1.127 -7.952 1.00 0.00 C ATOM 303 C LYS A 20 -4.497 0.724 -6.872 1.00 0.00 C ATOM 304 O LYS A 20 -4.170 1.497 -5.993 1.00 0.00 O ATOM 305 CB LYS A 20 -4.827 1.203 -9.324 1.00 0.00 C ATOM 306 CG LYS A 20 -3.927 2.438 -9.387 1.00 0.00 C ATOM 307 CD LYS A 20 -4.550 3.478 -10.321 1.00 0.00 C ATOM 308 CE LYS A 20 -3.991 3.297 -11.735 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.183 3.334 -12.627 1.00 0.00 N ATOM 0 H LYS A 20 -5.535 2.998 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.293 0.380 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.239 0.303 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.583 1.251 -10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.800 2.859 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.935 2.160 -9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.635 3.370 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.333 4.483 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.286 4.090 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.456 2.352 -11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.881 3.216 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.833 2.564 -12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.668 4.248 -12.520 1.00 0.00 H new ATOM 323 N LEU A 21 -4.021 -0.485 -6.922 1.00 0.00 N ATOM 324 CA LEU A 21 -3.056 -0.947 -5.889 1.00 0.00 C ATOM 325 C LEU A 21 -1.664 -1.104 -6.495 1.00 0.00 C ATOM 326 O LEU A 21 -1.514 -1.483 -7.640 1.00 0.00 O ATOM 327 CB LEU A 21 -3.608 -2.295 -5.418 1.00 0.00 C ATOM 328 CG LEU A 21 -4.712 -2.090 -4.369 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.568 -0.866 -4.721 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.608 -3.331 -4.336 1.00 0.00 C ATOM 0 H LEU A 21 -4.258 -1.175 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.954 -0.240 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.005 -2.849 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.803 -2.896 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.248 -1.930 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.345 -0.736 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.938 0.023 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.031 -1.014 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.394 -3.193 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.058 -3.481 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.011 -4.204 -4.074 1.00 0.00 H new ATOM 342 N MET A 22 -0.642 -0.807 -5.740 1.00 0.00 N ATOM 343 CA MET A 22 0.733 -0.934 -6.287 1.00 0.00 C ATOM 344 C MET A 22 1.477 -2.069 -5.582 1.00 0.00 C ATOM 345 O MET A 22 1.591 -2.104 -4.373 1.00 0.00 O ATOM 346 CB MET A 22 1.430 0.424 -6.047 1.00 0.00 C ATOM 347 CG MET A 22 0.438 1.489 -5.550 1.00 0.00 C ATOM 348 SD MET A 22 1.317 3.043 -5.249 1.00 0.00 S ATOM 349 CE MET A 22 -0.131 4.127 -5.247 1.00 0.00 C ATOM 0 H MET A 22 -0.701 -0.484 -4.774 1.00 0.00 H new ATOM 0 HA MET A 22 0.720 -1.174 -7.350 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.228 0.300 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.896 0.763 -6.972 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.348 1.641 -6.289 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.047 1.150 -4.634 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.047 4.848 -6.060 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.033 3.530 -5.383 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.187 4.657 -4.296 1.00 0.00 H new ATOM 359 N VAL A 23 1.977 -3.003 -6.344 1.00 0.00 N ATOM 360 CA VAL A 23 2.712 -4.159 -5.750 1.00 0.00 C ATOM 361 C VAL A 23 4.209 -3.835 -5.660 1.00 0.00 C ATOM 362 O VAL A 23 4.690 -2.926 -6.297 1.00 0.00 O ATOM 363 CB VAL A 23 2.444 -5.317 -6.721 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.594 -6.326 -6.682 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.145 -6.020 -6.321 1.00 0.00 C ATOM 0 H VAL A 23 1.908 -3.016 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 23 2.390 -4.400 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 23 2.359 -4.917 -7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.387 -7.140 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.522 -5.831 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.693 -6.726 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.950 -6.843 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.239 -6.408 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.319 -5.310 -6.363 1.00 0.00 H new ATOM 375 N ASN A 24 4.948 -4.564 -4.867 1.00 0.00 N ATOM 376 CA ASN A 24 6.407 -4.269 -4.741 1.00 0.00 C ATOM 377 C ASN A 24 7.264 -5.454 -5.194 1.00 0.00 C ATOM 378 O ASN A 24 6.766 -6.501 -5.556 1.00 0.00 O ATOM 379 CB ASN A 24 6.647 -3.977 -3.259 1.00 0.00 C ATOM 380 CG ASN A 24 5.772 -4.883 -2.390 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.287 -5.900 -2.846 1.00 0.00 O ATOM 382 ND2 ASN A 24 5.548 -4.554 -1.146 1.00 0.00 N ATOM 0 H ASN A 24 4.609 -5.345 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 24 6.687 -3.428 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.698 -4.134 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.423 -2.932 -3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.966 -5.150 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.955 -3.701 -0.763 1.00 0.00 H new ATOM 389 N VAL A 25 8.560 -5.270 -5.187 1.00 0.00 N ATOM 390 CA VAL A 25 9.503 -6.345 -5.623 1.00 0.00 C ATOM 391 C VAL A 25 8.975 -7.750 -5.283 1.00 0.00 C ATOM 392 O VAL A 25 8.562 -8.481 -6.160 1.00 0.00 O ATOM 393 CB VAL A 25 10.816 -6.043 -4.884 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.530 -5.598 -3.447 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.692 -7.293 -4.857 1.00 0.00 C ATOM 0 H VAL A 25 9.012 -4.405 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 25 9.633 -6.348 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 25 11.333 -5.241 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.470 -5.388 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.915 -4.698 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.000 -6.391 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.622 -7.074 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.165 -8.096 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.916 -7.603 -5.878 1.00 0.00 H new ATOM 405 N CYS A 26 8.991 -8.151 -4.032 1.00 0.00 N ATOM 406 CA CYS A 26 8.492 -9.520 -3.693 1.00 0.00 C ATOM 407 C CYS A 26 7.195 -9.808 -4.451 1.00 0.00 C ATOM 408 O CYS A 26 6.864 -10.944 -4.726 1.00 0.00 O ATOM 409 CB CYS A 26 8.263 -9.522 -2.178 1.00 0.00 C ATOM 410 SG CYS A 26 7.121 -8.197 -1.722 1.00 0.00 S ATOM 0 H CYS A 26 9.323 -7.597 -3.243 1.00 0.00 H new ATOM 0 HA CYS A 26 9.202 -10.296 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.859 -10.485 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.212 -9.390 -1.659 1.00 0.00 H new ATOM 415 N GLY A 27 6.469 -8.786 -4.812 1.00 0.00 N ATOM 416 CA GLY A 27 5.210 -8.998 -5.576 1.00 0.00 C ATOM 417 C GLY A 27 4.057 -9.301 -4.622 1.00 0.00 C ATOM 418 O GLY A 27 3.620 -10.429 -4.504 1.00 0.00 O ATOM 0 H GLY A 27 6.695 -7.812 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.980 -8.110 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.337 -9.822 -6.278 1.00 0.00 H new ATOM 422 N HIS A 28 3.549 -8.307 -3.946 1.00 0.00 N ATOM 423 CA HIS A 28 2.415 -8.562 -3.019 1.00 0.00 C ATOM 424 C HIS A 28 1.261 -7.594 -3.307 1.00 0.00 C ATOM 425 O HIS A 28 0.524 -7.786 -4.253 1.00 0.00 O ATOM 426 CB HIS A 28 2.992 -8.389 -1.609 1.00 0.00 C ATOM 427 CG HIS A 28 3.295 -9.761 -1.075 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.457 -10.078 -0.375 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.593 -10.937 -1.178 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.408 -11.395 -0.100 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.296 -11.961 -0.563 1.00 0.00 N ATOM 0 H HIS A 28 3.867 -7.339 -3.995 1.00 0.00 H new ATOM 0 HA HIS A 28 1.994 -9.560 -3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.895 -7.780 -1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.280 -7.875 -0.964 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.636 -11.047 -1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.180 -11.929 0.434 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.020 -12.940 -0.482 1.00 0.00 H new ATOM 439 N THR A 29 1.081 -6.563 -2.523 1.00 0.00 N ATOM 440 CA THR A 29 -0.047 -5.623 -2.803 1.00 0.00 C ATOM 441 C THR A 29 0.000 -4.417 -1.860 1.00 0.00 C ATOM 442 O THR A 29 0.384 -4.521 -0.714 1.00 0.00 O ATOM 443 CB THR A 29 -1.318 -6.447 -2.551 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.631 -7.205 -3.710 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.497 -5.520 -2.222 1.00 0.00 C ATOM 0 H THR A 29 1.656 -6.332 -1.713 1.00 0.00 H new ATOM 0 HA THR A 29 -0.003 -5.226 -3.817 1.00 0.00 H new ATOM 0 HB THR A 29 -1.141 -7.115 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.820 -7.337 -4.244 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.391 -6.117 -2.046 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.266 -4.940 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.672 -4.843 -3.058 1.00 0.00 H new ATOM 453 N LEU A 30 -0.412 -3.279 -2.343 1.00 0.00 N ATOM 454 CA LEU A 30 -0.425 -2.054 -1.493 1.00 0.00 C ATOM 455 C LEU A 30 -1.281 -0.990 -2.172 1.00 0.00 C ATOM 456 O LEU A 30 -0.822 -0.264 -3.034 1.00 0.00 O ATOM 457 CB LEU A 30 1.032 -1.612 -1.406 1.00 0.00 C ATOM 458 CG LEU A 30 1.284 -0.924 -0.066 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.093 -1.917 1.070 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.720 -0.409 -0.015 1.00 0.00 C ATOM 0 H LEU A 30 -0.743 -3.143 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.842 -2.226 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.690 -2.474 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.265 -0.931 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 30 0.582 -0.097 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.274 -1.419 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.073 -2.301 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.794 -2.743 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.897 0.081 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.411 -1.245 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.879 0.305 -0.823 1.00 0.00 H new ATOM 472 N CYS A 31 -2.527 -0.907 -1.810 1.00 0.00 N ATOM 473 CA CYS A 31 -3.419 0.091 -2.454 1.00 0.00 C ATOM 474 C CYS A 31 -2.849 1.496 -2.355 1.00 0.00 C ATOM 475 O CYS A 31 -1.913 1.765 -1.630 1.00 0.00 O ATOM 476 CB CYS A 31 -4.761 -0.009 -1.714 1.00 0.00 C ATOM 477 SG CYS A 31 -4.964 1.339 -0.505 1.00 0.00 S ATOM 0 H CYS A 31 -2.967 -1.487 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.530 -0.113 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.578 0.023 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.824 -0.969 -1.203 1.00 0.00 H new ATOM 482 N GLU A 32 -3.452 2.397 -3.064 1.00 0.00 N ATOM 483 CA GLU A 32 -2.996 3.810 -3.000 1.00 0.00 C ATOM 484 C GLU A 32 -2.834 4.191 -1.524 1.00 0.00 C ATOM 485 O GLU A 32 -1.791 4.638 -1.088 1.00 0.00 O ATOM 486 CB GLU A 32 -4.097 4.670 -3.648 1.00 0.00 C ATOM 487 CG GLU A 32 -5.476 4.030 -3.465 1.00 0.00 C ATOM 488 CD GLU A 32 -5.776 3.186 -4.685 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.290 3.539 -5.742 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.443 2.178 -4.534 1.00 0.00 O ATOM 0 H GLU A 32 -4.241 2.220 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.048 3.959 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.093 5.666 -3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.888 4.793 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.492 3.415 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.238 4.799 -3.339 1.00 0.00 H new ATOM 497 N SER A 33 -3.881 4.006 -0.758 1.00 0.00 N ATOM 498 CA SER A 33 -3.849 4.335 0.688 1.00 0.00 C ATOM 499 C SER A 33 -2.882 3.411 1.445 1.00 0.00 C ATOM 500 O SER A 33 -2.515 3.694 2.568 1.00 0.00 O ATOM 501 CB SER A 33 -5.295 4.148 1.182 1.00 0.00 C ATOM 502 OG SER A 33 -6.122 5.115 0.553 1.00 0.00 O ATOM 0 H SER A 33 -4.771 3.633 -1.088 1.00 0.00 H new ATOM 0 HA SER A 33 -3.492 5.350 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.646 3.143 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.341 4.259 2.265 1.00 0.00 H new ATOM 0 HG SER A 33 -6.868 5.343 1.146 1.00 0.00 H new ATOM 508 N CYS A 34 -2.432 2.329 0.850 1.00 0.00 N ATOM 509 CA CYS A 34 -1.467 1.463 1.585 1.00 0.00 C ATOM 510 C CYS A 34 -0.064 2.000 1.323 1.00 0.00 C ATOM 511 O CYS A 34 0.644 2.379 2.233 1.00 0.00 O ATOM 512 CB CYS A 34 -1.604 0.041 1.028 1.00 0.00 C ATOM 513 SG CYS A 34 -2.984 -0.829 1.799 1.00 0.00 S ATOM 0 H CYS A 34 -2.686 2.018 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.658 1.457 2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.754 0.083 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.680 -0.511 1.201 1.00 0.00 H new ATOM 518 N VAL A 35 0.331 2.065 0.077 1.00 0.00 N ATOM 519 CA VAL A 35 1.677 2.611 -0.236 1.00 0.00 C ATOM 520 C VAL A 35 1.864 3.907 0.562 1.00 0.00 C ATOM 521 O VAL A 35 2.960 4.278 0.917 1.00 0.00 O ATOM 522 CB VAL A 35 1.676 2.845 -1.765 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.258 4.218 -2.113 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.520 1.770 -2.445 1.00 0.00 C ATOM 0 H VAL A 35 -0.218 1.765 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 35 2.501 1.951 0.034 1.00 0.00 H new ATOM 0 HB VAL A 35 0.644 2.800 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.245 4.355 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.659 4.997 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.285 4.280 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.520 1.935 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.543 1.819 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.101 0.787 -2.228 1.00 0.00 H new ATOM 534 N ASP A 36 0.793 4.589 0.866 1.00 0.00 N ATOM 535 CA ASP A 36 0.922 5.844 1.656 1.00 0.00 C ATOM 536 C ASP A 36 1.231 5.494 3.122 1.00 0.00 C ATOM 537 O ASP A 36 2.258 5.867 3.648 1.00 0.00 O ATOM 538 CB ASP A 36 -0.431 6.569 1.480 1.00 0.00 C ATOM 539 CG ASP A 36 -1.244 6.581 2.781 1.00 0.00 C ATOM 540 OD1 ASP A 36 -0.748 7.111 3.761 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.347 6.062 2.772 1.00 0.00 O ATOM 0 H ASP A 36 -0.159 4.333 0.603 1.00 0.00 H new ATOM 0 HA ASP A 36 1.737 6.488 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.255 7.593 1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.007 6.078 0.696 1.00 0.00 H new ATOM 546 N LEU A 37 0.367 4.766 3.779 1.00 0.00 N ATOM 547 CA LEU A 37 0.639 4.396 5.198 1.00 0.00 C ATOM 548 C LEU A 37 1.926 3.584 5.281 1.00 0.00 C ATOM 549 O LEU A 37 2.721 3.745 6.184 1.00 0.00 O ATOM 550 CB LEU A 37 -0.558 3.547 5.630 1.00 0.00 C ATOM 551 CG LEU A 37 -1.821 4.409 5.637 1.00 0.00 C ATOM 552 CD1 LEU A 37 -3.004 3.575 6.130 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.618 5.604 6.572 1.00 0.00 C ATOM 0 H LEU A 37 -0.510 4.413 3.397 1.00 0.00 H new ATOM 0 HA LEU A 37 0.764 5.270 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.684 2.705 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.383 3.132 6.623 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.022 4.766 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.905 4.189 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.150 2.722 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.802 3.218 7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.518 6.219 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.417 5.246 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.774 6.199 6.224 1.00 0.00 H new ATOM 565 N LEU A 38 2.135 2.717 4.340 1.00 0.00 N ATOM 566 CA LEU A 38 3.369 1.887 4.346 1.00 0.00 C ATOM 567 C LEU A 38 4.620 2.770 4.431 1.00 0.00 C ATOM 568 O LEU A 38 5.504 2.537 5.231 1.00 0.00 O ATOM 569 CB LEU A 38 3.351 1.155 3.004 1.00 0.00 C ATOM 570 CG LEU A 38 3.248 -0.355 3.222 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.439 -0.835 4.055 1.00 0.00 C ATOM 572 CD2 LEU A 38 1.947 -0.677 3.959 1.00 0.00 C ATOM 0 H LEU A 38 1.501 2.544 3.560 1.00 0.00 H new ATOM 0 HA LEU A 38 3.396 1.210 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.508 1.501 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.257 1.387 2.444 1.00 0.00 H new ATOM 0 HG LEU A 38 3.254 -0.861 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.365 -1.911 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.366 -0.607 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.436 -0.329 5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.874 -1.753 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.940 -0.170 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.099 -0.338 3.365 1.00 0.00 H new ATOM 584 N PHE A 39 4.720 3.754 3.577 1.00 0.00 N ATOM 585 CA PHE A 39 5.939 4.621 3.567 1.00 0.00 C ATOM 586 C PHE A 39 5.827 5.823 4.512 1.00 0.00 C ATOM 587 O PHE A 39 6.813 6.251 5.079 1.00 0.00 O ATOM 588 CB PHE A 39 6.086 5.085 2.116 1.00 0.00 C ATOM 589 CG PHE A 39 5.826 3.914 1.199 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.116 2.614 1.635 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.269 4.120 -0.068 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.843 1.524 0.810 1.00 0.00 C ATOM 593 CE2 PHE A 39 5.002 3.025 -0.896 1.00 0.00 C ATOM 594 CZ PHE A 39 5.286 1.728 -0.452 1.00 0.00 C ATOM 0 H PHE A 39 4.011 3.996 2.885 1.00 0.00 H new ATOM 0 HA PHE A 39 6.806 4.065 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.384 5.892 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.087 5.481 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.551 2.457 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.046 5.121 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.063 0.522 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.577 3.180 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.073 0.882 -1.089 1.00 0.00 H new ATOM 604 N VAL A 40 4.665 6.394 4.690 1.00 0.00 N ATOM 605 CA VAL A 40 4.589 7.579 5.601 1.00 0.00 C ATOM 606 C VAL A 40 5.320 7.268 6.908 1.00 0.00 C ATOM 607 O VAL A 40 5.813 8.153 7.580 1.00 0.00 O ATOM 608 CB VAL A 40 3.108 7.841 5.864 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.411 8.226 4.558 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.468 6.585 6.443 1.00 0.00 C ATOM 0 H VAL A 40 3.787 6.104 4.259 1.00 0.00 H new ATOM 0 HA VAL A 40 5.059 8.456 5.156 1.00 0.00 H new ATOM 0 HB VAL A 40 3.004 8.660 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.354 8.412 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.870 9.128 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.511 7.413 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.410 6.769 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.572 5.764 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.963 6.322 7.378 1.00 0.00 H new ATOM 620 N ARG A 41 5.412 6.016 7.266 1.00 0.00 N ATOM 621 CA ARG A 41 6.132 5.656 8.524 1.00 0.00 C ATOM 622 C ARG A 41 7.638 5.718 8.272 1.00 0.00 C ATOM 623 O ARG A 41 8.335 6.561 8.800 1.00 0.00 O ATOM 624 CB ARG A 41 5.716 4.218 8.867 1.00 0.00 C ATOM 625 CG ARG A 41 4.271 3.960 8.434 1.00 0.00 C ATOM 626 CD ARG A 41 3.554 3.129 9.501 1.00 0.00 C ATOM 627 NE ARG A 41 4.518 2.051 9.864 1.00 0.00 N ATOM 628 CZ ARG A 41 5.032 1.294 8.933 1.00 0.00 C ATOM 629 NH1 ARG A 41 4.375 1.085 7.825 1.00 0.00 N ATOM 630 NH2 ARG A 41 6.202 0.744 9.113 1.00 0.00 N ATOM 0 H ARG A 41 5.023 5.230 6.746 1.00 0.00 H new ATOM 0 HA ARG A 41 5.890 6.337 9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.382 3.512 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.816 4.050 9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.751 4.906 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.255 3.435 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.297 3.737 10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.623 2.713 9.117 1.00 0.00 H new ATOM 0 HE ARG A 41 4.776 1.905 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.460 1.513 7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.777 0.493 7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.714 0.906 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.605 0.152 8.386 1.00 0.00 H new ATOM 644 N GLY A 42 8.140 4.830 7.459 1.00 0.00 N ATOM 645 CA GLY A 42 9.598 4.832 7.158 1.00 0.00 C ATOM 646 C GLY A 42 9.868 4.004 5.898 1.00 0.00 C ATOM 647 O GLY A 42 10.946 3.477 5.715 1.00 0.00 O ATOM 0 H GLY A 42 7.602 4.102 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.948 5.854 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.153 4.420 8.001 1.00 0.00 H new ATOM 651 N ALA A 43 8.900 3.882 5.026 1.00 0.00 N ATOM 652 CA ALA A 43 9.125 3.083 3.782 1.00 0.00 C ATOM 653 C ALA A 43 9.578 1.666 4.144 1.00 0.00 C ATOM 654 O ALA A 43 9.690 1.317 5.302 1.00 0.00 O ATOM 655 CB ALA A 43 10.233 3.826 3.033 1.00 0.00 C ATOM 0 H ALA A 43 7.972 4.296 5.119 1.00 0.00 H new ATOM 0 HA ALA A 43 8.221 2.985 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.459 3.302 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.903 4.840 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.128 3.866 3.654 1.00 0.00 H new ATOM 661 N GLY A 44 9.842 0.843 3.164 1.00 0.00 N ATOM 662 CA GLY A 44 10.288 -0.544 3.456 1.00 0.00 C ATOM 663 C GLY A 44 9.232 -1.265 4.295 1.00 0.00 C ATOM 664 O GLY A 44 8.233 -0.692 4.681 1.00 0.00 O ATOM 0 H GLY A 44 9.767 1.075 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.456 -1.085 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.238 -0.525 3.990 1.00 0.00 H new ATOM 668 N ASN A 45 9.458 -2.519 4.583 1.00 0.00 N ATOM 669 CA ASN A 45 8.486 -3.303 5.405 1.00 0.00 C ATOM 670 C ASN A 45 7.233 -3.655 4.596 1.00 0.00 C ATOM 671 O ASN A 45 6.176 -3.089 4.797 1.00 0.00 O ATOM 672 CB ASN A 45 8.118 -2.404 6.591 1.00 0.00 C ATOM 673 CG ASN A 45 9.356 -1.647 7.079 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.458 -0.449 6.903 1.00 0.00 O ATOM 675 ND2 ASN A 45 10.308 -2.301 7.687 1.00 0.00 N ATOM 0 H ASN A 45 10.282 -3.040 4.282 1.00 0.00 H new ATOM 0 HA ASN A 45 8.923 -4.247 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.343 -1.697 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.708 -3.007 7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.138 -1.806 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.222 -3.307 7.835 1.00 0.00 H new ATOM 682 N CYS A 46 7.343 -4.597 3.696 1.00 0.00 N ATOM 683 CA CYS A 46 6.160 -5.014 2.883 1.00 0.00 C ATOM 684 C CYS A 46 4.911 -5.037 3.761 1.00 0.00 C ATOM 685 O CYS A 46 4.978 -5.385 4.924 1.00 0.00 O ATOM 686 CB CYS A 46 6.471 -6.443 2.409 1.00 0.00 C ATOM 687 SG CYS A 46 5.179 -7.006 1.256 1.00 0.00 S ATOM 0 H CYS A 46 8.206 -5.099 3.487 1.00 0.00 H new ATOM 0 HA CYS A 46 5.980 -4.332 2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.445 -6.470 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.526 -7.116 3.265 1.00 0.00 H new ATOM 692 N PRO A 47 3.808 -4.687 3.172 1.00 0.00 N ATOM 693 CA PRO A 47 2.509 -4.688 3.899 1.00 0.00 C ATOM 694 C PRO A 47 2.166 -6.087 4.416 1.00 0.00 C ATOM 695 O PRO A 47 1.226 -6.262 5.166 1.00 0.00 O ATOM 696 CB PRO A 47 1.523 -4.235 2.819 1.00 0.00 C ATOM 697 CG PRO A 47 2.204 -4.602 1.543 1.00 0.00 C ATOM 698 CD PRO A 47 3.635 -4.254 1.782 1.00 0.00 C ATOM 0 HA PRO A 47 2.504 -4.050 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.561 -4.738 2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.330 -3.164 2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.084 -5.662 1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.794 -4.048 0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.305 -4.779 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.825 -3.188 1.657 1.00 0.00 H new ATOM 706 N GLU A 48 2.907 -7.087 4.022 1.00 0.00 N ATOM 707 CA GLU A 48 2.587 -8.461 4.508 1.00 0.00 C ATOM 708 C GLU A 48 3.854 -9.306 4.748 1.00 0.00 C ATOM 709 O GLU A 48 3.979 -9.949 5.772 1.00 0.00 O ATOM 710 CB GLU A 48 1.719 -9.072 3.408 1.00 0.00 C ATOM 711 CG GLU A 48 2.407 -8.924 2.050 1.00 0.00 C ATOM 712 CD GLU A 48 1.343 -8.813 0.958 1.00 0.00 C ATOM 713 OE1 GLU A 48 0.933 -9.843 0.448 1.00 0.00 O ATOM 714 OE2 GLU A 48 0.952 -7.698 0.651 1.00 0.00 O ATOM 0 H GLU A 48 3.708 -7.016 3.395 1.00 0.00 H new ATOM 0 HA GLU A 48 2.079 -8.432 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.539 -10.126 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.746 -8.580 3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.044 -8.039 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.052 -9.782 1.860 1.00 0.00 H new ATOM 721 N CYS A 49 4.785 -9.339 3.825 1.00 0.00 N ATOM 722 CA CYS A 49 6.009 -10.180 4.051 1.00 0.00 C ATOM 723 C CYS A 49 7.224 -9.319 4.405 1.00 0.00 C ATOM 724 O CYS A 49 8.347 -9.689 4.130 1.00 0.00 O ATOM 725 CB CYS A 49 6.229 -10.945 2.732 1.00 0.00 C ATOM 726 SG CYS A 49 7.313 -10.021 1.594 1.00 0.00 S ATOM 0 H CYS A 49 4.756 -8.832 2.941 1.00 0.00 H new ATOM 0 HA CYS A 49 5.877 -10.860 4.893 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.669 -11.919 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.268 -11.128 2.252 1.00 0.00 H new ATOM 731 N GLY A 50 7.016 -8.185 5.010 1.00 0.00 N ATOM 732 CA GLY A 50 8.169 -7.314 5.373 1.00 0.00 C ATOM 733 C GLY A 50 9.105 -7.152 4.168 1.00 0.00 C ATOM 734 O GLY A 50 8.968 -6.244 3.380 1.00 0.00 O ATOM 0 H GLY A 50 6.099 -7.822 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.809 -6.338 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.714 -7.749 6.211 1.00 0.00 H new ATOM 738 N THR A 51 10.058 -8.024 4.022 1.00 0.00 N ATOM 739 CA THR A 51 11.007 -7.917 2.878 1.00 0.00 C ATOM 740 C THR A 51 11.719 -6.559 2.923 1.00 0.00 C ATOM 741 O THR A 51 11.086 -5.522 2.897 1.00 0.00 O ATOM 742 CB THR A 51 10.138 -8.051 1.620 1.00 0.00 C ATOM 743 OG1 THR A 51 9.963 -9.427 1.319 1.00 0.00 O ATOM 744 CG2 THR A 51 10.814 -7.358 0.432 1.00 0.00 C ATOM 0 H THR A 51 10.224 -8.812 4.648 1.00 0.00 H new ATOM 0 HA THR A 51 11.784 -8.681 2.902 1.00 0.00 H new ATOM 0 HB THR A 51 9.172 -7.581 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.042 -9.582 1.022 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.187 -7.461 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.952 -6.301 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.784 -7.819 0.246 1.00 0.00 H new ATOM 752 N PRO A 52 13.020 -6.608 2.985 1.00 0.00 N ATOM 753 CA PRO A 52 13.819 -5.361 3.031 1.00 0.00 C ATOM 754 C PRO A 52 13.725 -4.636 1.688 1.00 0.00 C ATOM 755 O PRO A 52 14.601 -4.741 0.852 1.00 0.00 O ATOM 756 CB PRO A 52 15.239 -5.856 3.299 1.00 0.00 C ATOM 757 CG PRO A 52 15.253 -7.263 2.798 1.00 0.00 C ATOM 758 CD PRO A 52 13.864 -7.807 3.008 1.00 0.00 C ATOM 0 HA PRO A 52 13.481 -4.650 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.976 -5.244 2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.480 -5.812 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.527 -7.296 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.989 -7.859 3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.585 -8.509 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.780 -8.339 3.956 1.00 0.00 H new ATOM 766 N LEU A 53 12.665 -3.902 1.471 1.00 0.00 N ATOM 767 CA LEU A 53 12.514 -3.176 0.184 1.00 0.00 C ATOM 768 C LEU A 53 13.744 -2.295 -0.059 1.00 0.00 C ATOM 769 O LEU A 53 14.748 -2.423 0.614 1.00 0.00 O ATOM 770 CB LEU A 53 11.254 -2.339 0.379 1.00 0.00 C ATOM 771 CG LEU A 53 10.095 -2.956 -0.406 1.00 0.00 C ATOM 772 CD1 LEU A 53 9.191 -3.734 0.552 1.00 0.00 C ATOM 773 CD2 LEU A 53 9.288 -1.838 -1.066 1.00 0.00 C ATOM 0 H LEU A 53 11.899 -3.776 2.133 1.00 0.00 H new ATOM 0 HA LEU A 53 12.433 -3.834 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.001 -2.287 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.430 -1.317 0.043 1.00 0.00 H new ATOM 0 HG LEU A 53 10.484 -3.631 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.364 -4.175 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.766 -4.525 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.798 -3.058 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.460 -2.270 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.897 -1.170 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.931 -1.276 -1.743 1.00 0.00 H new ATOM 785 N ARG A 54 13.689 -1.409 -1.016 1.00 0.00 N ATOM 786 CA ARG A 54 14.874 -0.544 -1.287 1.00 0.00 C ATOM 787 C ARG A 54 14.514 0.938 -1.133 1.00 0.00 C ATOM 788 O ARG A 54 15.201 1.683 -0.463 1.00 0.00 O ATOM 789 CB ARG A 54 15.273 -0.860 -2.729 1.00 0.00 C ATOM 790 CG ARG A 54 16.636 -1.555 -2.740 1.00 0.00 C ATOM 791 CD ARG A 54 16.466 -3.008 -3.188 1.00 0.00 C ATOM 792 NE ARG A 54 16.728 -3.820 -1.968 1.00 0.00 N ATOM 793 CZ ARG A 54 17.944 -3.931 -1.504 1.00 0.00 C ATOM 794 NH1 ARG A 54 18.956 -3.964 -2.327 1.00 0.00 N ATOM 795 NH2 ARG A 54 18.146 -4.010 -0.217 1.00 0.00 N ATOM 0 H ARG A 54 12.882 -1.247 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 54 15.688 -0.735 -0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.523 -1.500 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.316 0.058 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.316 -1.033 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.082 -1.520 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.462 -3.187 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.164 -3.259 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 54 15.957 -4.290 -1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.798 -3.903 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.905 -4.051 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.355 -3.985 0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.095 -4.097 0.146 1.00 0.00 H new ATOM 809 N LYS A 55 13.448 1.374 -1.745 1.00 0.00 N ATOM 810 CA LYS A 55 13.056 2.811 -1.626 1.00 0.00 C ATOM 811 C LYS A 55 11.619 3.006 -2.106 1.00 0.00 C ATOM 812 O LYS A 55 11.377 3.521 -3.179 1.00 0.00 O ATOM 813 CB LYS A 55 14.029 3.598 -2.520 1.00 0.00 C ATOM 814 CG LYS A 55 14.531 2.727 -3.680 1.00 0.00 C ATOM 815 CD LYS A 55 13.347 2.240 -4.521 1.00 0.00 C ATOM 816 CE LYS A 55 12.788 3.405 -5.341 1.00 0.00 C ATOM 817 NZ LYS A 55 13.170 3.101 -6.748 1.00 0.00 N ATOM 0 H LYS A 55 12.831 0.801 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 55 13.104 3.153 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.532 4.484 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.875 3.944 -1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.219 3.298 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.086 1.874 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.665 1.435 -5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.571 1.832 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.706 3.481 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.209 4.356 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.822 3.856 -7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.206 3.041 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.750 2.193 -7.033 1.00 0.00 H new ATOM 831 N SER A 56 10.661 2.594 -1.324 1.00 0.00 N ATOM 832 CA SER A 56 9.244 2.755 -1.748 1.00 0.00 C ATOM 833 C SER A 56 9.081 2.285 -3.200 1.00 0.00 C ATOM 834 O SER A 56 8.657 3.032 -4.058 1.00 0.00 O ATOM 835 CB SER A 56 8.964 4.252 -1.637 1.00 0.00 C ATOM 836 OG SER A 56 9.454 4.909 -2.798 1.00 0.00 O ATOM 0 H SER A 56 10.797 2.155 -0.414 1.00 0.00 H new ATOM 0 HA SER A 56 8.557 2.168 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.893 4.426 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.443 4.658 -0.746 1.00 0.00 H new ATOM 0 HG SER A 56 9.935 4.266 -3.359 1.00 0.00 H new ATOM 842 N ASN A 57 9.422 1.053 -3.480 1.00 0.00 N ATOM 843 CA ASN A 57 9.290 0.543 -4.882 1.00 0.00 C ATOM 844 C ASN A 57 7.982 -0.238 -5.054 1.00 0.00 C ATOM 845 O ASN A 57 7.944 -1.444 -4.919 1.00 0.00 O ATOM 846 CB ASN A 57 10.499 -0.377 -5.103 1.00 0.00 C ATOM 847 CG ASN A 57 10.674 -1.311 -3.904 1.00 0.00 C ATOM 848 OD1 ASN A 57 11.541 -1.102 -3.079 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.883 -2.339 -3.772 1.00 0.00 N ATOM 0 H ASN A 57 9.784 0.380 -2.804 1.00 0.00 H new ATOM 0 HA ASN A 57 9.266 1.359 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.360 -0.962 -6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.400 0.220 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.992 -2.968 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.155 -2.515 -4.465 1.00 0.00 H new ATOM 856 N PHE A 58 6.910 0.445 -5.355 1.00 0.00 N ATOM 857 CA PHE A 58 5.604 -0.253 -5.540 1.00 0.00 C ATOM 858 C PHE A 58 5.015 0.127 -6.900 1.00 0.00 C ATOM 859 O PHE A 58 4.804 1.286 -7.198 1.00 0.00 O ATOM 860 CB PHE A 58 4.719 0.227 -4.376 1.00 0.00 C ATOM 861 CG PHE A 58 5.377 -0.169 -3.078 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.607 0.388 -2.703 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.758 -1.115 -2.253 1.00 0.00 C ATOM 864 CE1 PHE A 58 7.213 -0.003 -1.503 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.364 -1.500 -1.052 1.00 0.00 C ATOM 866 CZ PHE A 58 6.591 -0.945 -0.677 1.00 0.00 C ATOM 0 H PHE A 58 6.882 1.457 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 58 5.694 -1.339 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.589 1.308 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.726 -0.216 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.087 1.118 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.812 -1.548 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.162 0.423 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.883 -2.227 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.058 -1.243 0.250 1.00 0.00 H new ATOM 876 N ARG A 59 4.762 -0.846 -7.731 1.00 0.00 N ATOM 877 CA ARG A 59 4.201 -0.554 -9.082 1.00 0.00 C ATOM 878 C ARG A 59 2.680 -0.508 -9.012 1.00 0.00 C ATOM 879 O ARG A 59 2.022 -1.508 -8.814 1.00 0.00 O ATOM 880 CB ARG A 59 4.665 -1.700 -9.979 1.00 0.00 C ATOM 881 CG ARG A 59 4.433 -3.044 -9.277 1.00 0.00 C ATOM 882 CD ARG A 59 4.336 -4.154 -10.324 1.00 0.00 C ATOM 883 NE ARG A 59 5.672 -4.174 -10.982 1.00 0.00 N ATOM 884 CZ ARG A 59 5.783 -4.563 -12.222 1.00 0.00 C ATOM 885 NH1 ARG A 59 4.852 -5.305 -12.760 1.00 0.00 N ATOM 886 NH2 ARG A 59 6.824 -4.211 -12.925 1.00 0.00 N ATOM 0 H ARG A 59 4.920 -1.834 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 59 4.536 0.410 -9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.122 -1.676 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.722 -1.582 -10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.250 -3.251 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.518 -3.005 -8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.108 -5.115 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.543 -3.950 -11.044 1.00 0.00 H new ATOM 0 HE ARG A 59 6.500 -3.883 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.038 -5.580 -12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.939 -5.609 -13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.551 -3.632 -12.505 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.911 -4.515 -13.895 1.00 0.00 H new ATOM 900 N VAL A 60 2.131 0.663 -9.153 1.00 0.00 N ATOM 901 CA VAL A 60 0.653 0.830 -9.068 1.00 0.00 C ATOM 902 C VAL A 60 -0.024 0.641 -10.427 1.00 0.00 C ATOM 903 O VAL A 60 0.448 1.100 -11.448 1.00 0.00 O ATOM 904 CB VAL A 60 0.479 2.256 -8.558 1.00 0.00 C ATOM 905 CG1 VAL A 60 1.049 3.240 -9.583 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.007 2.548 -8.340 1.00 0.00 C ATOM 0 H VAL A 60 2.649 1.524 -9.326 1.00 0.00 H new ATOM 0 HA VAL A 60 0.190 0.086 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 60 1.011 2.368 -7.613 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.924 4.259 -9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.109 3.036 -9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.520 3.127 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.128 3.568 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.542 2.434 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.411 1.850 -7.606 1.00 0.00 H new ATOM 916 N GLN A 61 -1.138 -0.044 -10.425 1.00 0.00 N ATOM 917 CA GLN A 61 -1.889 -0.299 -11.687 1.00 0.00 C ATOM 918 C GLN A 61 -3.134 -1.137 -11.373 1.00 0.00 C ATOM 919 O GLN A 61 -3.341 -1.553 -10.249 1.00 0.00 O ATOM 920 CB GLN A 61 -0.924 -1.081 -12.581 1.00 0.00 C ATOM 921 CG GLN A 61 -0.603 -2.428 -11.932 1.00 0.00 C ATOM 922 CD GLN A 61 -1.213 -3.554 -12.769 1.00 0.00 C ATOM 923 OE1 GLN A 61 -1.785 -3.310 -13.813 1.00 0.00 O ATOM 924 NE2 GLN A 61 -1.114 -4.788 -12.354 1.00 0.00 N ATOM 0 H GLN A 61 -1.564 -0.443 -9.589 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.223 0.619 -12.171 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.368 -1.236 -13.564 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.008 -0.510 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.476 -2.560 -11.857 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.999 -2.459 -10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.634 -4.994 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.516 -5.546 -12.906 1.00 0.00 H new ATOM 933 N LEU A 62 -3.967 -1.387 -12.346 1.00 0.00 N ATOM 934 CA LEU A 62 -5.193 -2.198 -12.080 1.00 0.00 C ATOM 935 C LEU A 62 -5.965 -2.439 -13.381 1.00 0.00 C ATOM 936 O LEU A 62 -6.279 -1.517 -14.107 1.00 0.00 O ATOM 937 CB LEU A 62 -6.019 -1.351 -11.111 1.00 0.00 C ATOM 938 CG LEU A 62 -6.716 -2.258 -10.092 1.00 0.00 C ATOM 939 CD1 LEU A 62 -5.893 -2.313 -8.802 1.00 0.00 C ATOM 940 CD2 LEU A 62 -8.105 -1.695 -9.779 1.00 0.00 C ATOM 0 H LEU A 62 -3.855 -1.068 -13.308 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.960 -3.180 -11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.374 -0.639 -10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.760 -0.771 -11.661 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.809 -3.262 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.392 -2.959 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.901 -2.710 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.799 -1.309 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.604 -2.338 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.006 -0.691 -9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.696 -1.654 -10.694 1.00 0.00 H new ATOM 952 N PHE A 63 -6.272 -3.673 -13.680 1.00 0.00 N ATOM 953 CA PHE A 63 -7.023 -3.973 -14.935 1.00 0.00 C ATOM 954 C PHE A 63 -7.732 -5.325 -14.815 1.00 0.00 C ATOM 955 O PHE A 63 -7.472 -6.096 -13.914 1.00 0.00 O ATOM 956 CB PHE A 63 -5.957 -4.022 -16.031 1.00 0.00 C ATOM 957 CG PHE A 63 -6.612 -3.847 -17.381 1.00 0.00 C ATOM 958 CD1 PHE A 63 -7.402 -2.719 -17.635 1.00 0.00 C ATOM 959 CD2 PHE A 63 -6.426 -4.812 -18.379 1.00 0.00 C ATOM 960 CE1 PHE A 63 -8.008 -2.557 -18.888 1.00 0.00 C ATOM 961 CE2 PHE A 63 -7.031 -4.650 -19.630 1.00 0.00 C ATOM 962 CZ PHE A 63 -7.822 -3.522 -19.885 1.00 0.00 C ATOM 0 H PHE A 63 -6.036 -4.486 -13.111 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.791 -3.229 -15.146 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.218 -3.237 -15.869 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.426 -4.973 -15.994 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.544 -1.974 -16.866 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.816 -5.681 -18.183 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.618 -1.688 -19.085 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.888 -5.395 -20.399 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.288 -3.397 -20.851 1.00 0.00 H new ATOM 972 N GLU A 64 -8.628 -5.618 -15.718 1.00 0.00 N ATOM 973 CA GLU A 64 -9.354 -6.920 -15.654 1.00 0.00 C ATOM 974 C GLU A 64 -8.360 -8.071 -15.477 1.00 0.00 C ATOM 975 O GLU A 64 -7.662 -8.448 -16.397 1.00 0.00 O ATOM 976 CB GLU A 64 -10.075 -7.036 -16.998 1.00 0.00 C ATOM 977 CG GLU A 64 -9.061 -6.917 -18.135 1.00 0.00 C ATOM 978 CD GLU A 64 -9.003 -8.234 -18.912 1.00 0.00 C ATOM 979 OE1 GLU A 64 -9.977 -8.966 -18.868 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.985 -8.488 -19.535 1.00 0.00 O ATOM 0 H GLU A 64 -8.889 -5.013 -16.497 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.047 -6.967 -14.814 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.597 -7.991 -17.061 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.829 -6.254 -17.086 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.342 -6.102 -18.802 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.077 -6.676 -17.734 1.00 0.00 H new ATOM 987 N ASP A 65 -8.291 -8.633 -14.301 1.00 0.00 N ATOM 988 CA ASP A 65 -7.342 -9.760 -14.069 1.00 0.00 C ATOM 989 C ASP A 65 -7.380 -10.735 -15.248 1.00 0.00 C ATOM 990 O ASP A 65 -6.318 -11.085 -15.736 1.00 0.00 O ATOM 991 CB ASP A 65 -7.840 -10.440 -12.793 1.00 0.00 C ATOM 992 CG ASP A 65 -9.207 -11.076 -13.051 1.00 0.00 C ATOM 993 OD1 ASP A 65 -10.185 -10.345 -13.064 1.00 0.00 O ATOM 994 OD2 ASP A 65 -9.255 -12.281 -13.232 1.00 0.00 O ATOM 995 OXT ASP A 65 -8.470 -11.114 -15.643 1.00 0.00 O ATOM 0 H ASP A 65 -8.849 -8.361 -13.492 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.311 -9.419 -13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.128 -11.201 -12.473 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.913 -9.712 -11.985 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.864 0.458 1.612 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 5.957 -8.859 0.151 1.00 0.00 ZN