USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 301 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 23 SER OG : rot -5:sc= 0.962 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -178:sc= -0.0565 (180deg=-0.0595) USER MOD Single : A 2 LYS NZ :NH3+ 170:sc=-0.00325 (180deg=-0.123) USER MOD Single : A 3 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.74!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc=-1.61e-05 X(o=-1.6e-05,f=-1.6e-05) USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.153) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -178:sc= -1.78 (180deg=-1.86) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 30.497 -44.284 10.175 1.00 0.00 N ATOM 25 CA LYS A 2 31.606 -43.348 10.412 1.00 0.00 C ATOM 26 C LYS A 2 32.928 -44.088 10.654 1.00 0.00 C ATOM 27 O LYS A 2 33.835 -44.041 9.823 1.00 0.00 O ATOM 28 CB LYS A 2 31.269 -42.425 11.593 1.00 0.00 C ATOM 29 CG LYS A 2 30.049 -41.536 11.322 1.00 0.00 C ATOM 30 CD LYS A 2 29.687 -40.674 12.538 1.00 0.00 C ATOM 31 CE LYS A 2 30.777 -39.665 12.913 1.00 0.00 C ATOM 32 NZ LYS A 2 30.991 -38.691 11.828 1.00 0.00 N ATOM 0 HA LYS A 2 31.737 -42.741 9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.082 -43.031 12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 2 32.131 -41.795 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 2 30.253 -40.891 10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.197 -42.161 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 2 28.761 -40.138 12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 2 29.495 -41.324 13.391 1.00 0.00 H new ATOM 0 HE2 LYS A 2 30.494 -39.141 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 2 31.708 -40.191 13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 31.605 -37.923 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 31.443 -39.165 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 30.076 -38.296 11.530 1.00 0.00 H new ATOM 46 N GLN A 3 33.074 -44.733 11.806 1.00 0.00 N ATOM 47 CA GLN A 3 34.381 -45.297 12.177 1.00 0.00 C ATOM 48 C GLN A 3 34.696 -46.620 11.463 1.00 0.00 C ATOM 49 O GLN A 3 35.790 -46.805 10.930 1.00 0.00 O ATOM 50 CB GLN A 3 34.415 -45.451 13.701 1.00 0.00 C ATOM 51 CG GLN A 3 35.829 -45.758 14.195 1.00 0.00 C ATOM 52 CD GLN A 3 35.865 -45.931 15.707 1.00 0.00 C ATOM 53 OE1 GLN A 3 35.469 -46.958 16.253 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.348 -44.924 16.408 1.00 0.00 N ATOM 0 H GLN A 3 32.330 -44.880 12.488 1.00 0.00 H new ATOM 0 HA GLN A 3 35.163 -44.613 11.849 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.054 -44.535 14.170 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.740 -46.251 14.003 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.194 -46.666 13.715 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.501 -44.951 13.904 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.671 -44.081 15.934 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.399 -44.988 17.425 1.00 0.00 H new ATOM 63 N CYS A 4 33.751 -47.551 11.468 1.00 0.00 N ATOM 64 CA CYS A 4 33.988 -48.864 10.846 1.00 0.00 C ATOM 65 C CYS A 4 34.156 -48.769 9.322 1.00 0.00 C ATOM 66 O CYS A 4 35.011 -49.434 8.738 1.00 0.00 O ATOM 67 CB CYS A 4 32.802 -49.750 11.237 1.00 0.00 C ATOM 68 SG CYS A 4 32.896 -51.394 10.499 1.00 0.00 S ATOM 0 H CYS A 4 32.828 -47.434 11.885 1.00 0.00 H new ATOM 0 HA CYS A 4 34.926 -49.290 11.203 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.765 -49.844 12.322 1.00 0.00 H new ATOM 0 HB3 CYS A 4 31.875 -49.268 10.927 1.00 0.00 H new ATOM 73 N HIS A 5 33.362 -47.923 8.675 1.00 0.00 N ATOM 74 CA HIS A 5 33.509 -47.723 7.226 1.00 0.00 C ATOM 75 C HIS A 5 34.795 -46.964 6.860 1.00 0.00 C ATOM 76 O HIS A 5 35.421 -47.257 5.842 1.00 0.00 O ATOM 77 CB HIS A 5 32.267 -46.970 6.736 1.00 0.00 C ATOM 78 CG HIS A 5 32.191 -46.859 5.228 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.372 -45.684 4.520 1.00 0.00 N ATOM 80 CD2 HIS A 5 31.877 -47.913 4.357 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.153 -46.140 3.246 1.00 0.00 C ATOM 82 NE2 HIS A 5 31.851 -47.462 3.047 1.00 0.00 N ATOM 0 H HIS A 5 32.623 -47.372 9.113 1.00 0.00 H new ATOM 0 HA HIS A 5 33.593 -48.693 6.737 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.375 -47.478 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.263 -45.969 7.168 1.00 0.00 H new ATOM 0 HD2 HIS A 5 31.683 -48.930 4.664 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.218 -45.464 2.407 1.00 0.00 H new ATOM 0 HE2 HIS A 5 31.661 -47.969 2.182 1.00 0.00 H new ATOM 91 N LYS A 6 35.198 -45.983 7.665 1.00 0.00 N ATOM 92 CA LYS A 6 36.413 -45.217 7.342 1.00 0.00 C ATOM 93 C LYS A 6 37.689 -46.062 7.452 1.00 0.00 C ATOM 94 O LYS A 6 38.569 -45.974 6.596 1.00 0.00 O ATOM 95 CB LYS A 6 36.490 -43.989 8.258 1.00 0.00 C ATOM 96 CG LYS A 6 37.654 -43.065 7.882 1.00 0.00 C ATOM 97 CD LYS A 6 37.722 -41.860 8.820 1.00 0.00 C ATOM 98 CE LYS A 6 38.910 -40.964 8.469 1.00 0.00 C ATOM 99 NZ LYS A 6 38.978 -39.839 9.418 1.00 0.00 N ATOM 0 H LYS A 6 34.722 -45.701 8.522 1.00 0.00 H new ATOM 0 HA LYS A 6 36.347 -44.900 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.553 -43.434 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.605 -44.314 9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.592 -43.619 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.535 -42.724 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.797 -41.288 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.810 -42.201 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 6 39.835 -41.539 8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 6 38.807 -40.588 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 39.787 -39.231 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.100 -39.285 9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 39.096 -40.206 10.384 1.00 0.00 H new ATOM 113 N LYS A 7 37.820 -46.869 8.500 1.00 0.00 N ATOM 114 CA LYS A 7 39.042 -47.671 8.651 1.00 0.00 C ATOM 115 C LYS A 7 39.128 -48.788 7.603 1.00 0.00 C ATOM 116 O LYS A 7 40.152 -48.939 6.936 1.00 0.00 O ATOM 117 CB LYS A 7 39.124 -48.257 10.065 1.00 0.00 C ATOM 118 CG LYS A 7 39.253 -47.173 11.139 1.00 0.00 C ATOM 119 CD LYS A 7 39.675 -47.792 12.473 1.00 0.00 C ATOM 120 CE LYS A 7 39.735 -46.739 13.581 1.00 0.00 C ATOM 121 NZ LYS A 7 40.150 -47.362 14.851 1.00 0.00 N ATOM 0 H LYS A 7 37.125 -46.988 9.237 1.00 0.00 H new ATOM 0 HA LYS A 7 39.891 -47.007 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.233 -48.854 10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.979 -48.930 10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.986 -46.429 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.302 -46.653 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.971 -48.576 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.651 -48.264 12.364 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.437 -45.951 13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 7 38.759 -46.269 13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 40.188 -46.638 15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 39.465 -48.098 15.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.091 -47.790 14.737 1.00 0.00 H new ATOM 135 N GLY A 8 38.071 -49.579 7.457 1.00 0.00 N ATOM 136 CA GLY A 8 38.098 -50.667 6.473 1.00 0.00 C ATOM 137 C GLY A 8 37.523 -51.951 7.064 1.00 0.00 C ATOM 138 O GLY A 8 38.251 -52.901 7.356 1.00 0.00 O ATOM 0 H GLY A 8 37.205 -49.496 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.525 -50.379 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.123 -50.840 6.145 1.00 0.00 H new ATOM 142 N GLY A 9 36.210 -51.989 7.246 1.00 0.00 N ATOM 143 CA GLY A 9 35.600 -53.169 7.870 1.00 0.00 C ATOM 144 C GLY A 9 34.074 -53.107 7.812 1.00 0.00 C ATOM 145 O GLY A 9 33.475 -52.032 7.790 1.00 0.00 O ATOM 0 H GLY A 9 35.561 -51.248 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.948 -54.070 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.923 -53.241 8.909 1.00 0.00 H new ATOM 149 N HIS A 10 33.433 -54.271 7.804 1.00 0.00 N ATOM 150 CA HIS A 10 31.962 -54.302 7.794 1.00 0.00 C ATOM 151 C HIS A 10 31.450 -54.792 9.151 1.00 0.00 C ATOM 152 O HIS A 10 32.115 -55.549 9.860 1.00 0.00 O ATOM 153 CB HIS A 10 31.497 -55.215 6.653 1.00 0.00 C ATOM 154 CG HIS A 10 30.007 -55.121 6.381 1.00 0.00 C ATOM 155 ND1 HIS A 10 29.439 -54.214 5.502 1.00 0.00 N ATOM 156 CD2 HIS A 10 29.016 -55.945 6.940 1.00 0.00 C ATOM 157 CE1 HIS A 10 28.120 -54.573 5.609 1.00 0.00 C ATOM 158 NE2 HIS A 10 27.769 -55.599 6.446 1.00 0.00 N ATOM 0 H HIS A 10 33.886 -55.185 7.804 1.00 0.00 H new ATOM 0 HA HIS A 10 31.558 -53.304 7.627 1.00 0.00 H new ATOM 0 HB2 HIS A 10 32.042 -54.957 5.745 1.00 0.00 H new ATOM 0 HB3 HIS A 10 31.751 -56.247 6.896 1.00 0.00 H new ATOM 0 HD2 HIS A 10 29.200 -56.735 7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 10 27.365 -54.052 5.039 1.00 0.00 H new ATOM 0 HE2 HIS A 10 26.851 -55.995 6.648 1.00 0.00 H new ATOM 167 N CYS A 11 30.252 -54.362 9.519 1.00 0.00 N ATOM 168 CA CYS A 11 29.705 -54.761 10.820 1.00 0.00 C ATOM 169 C CYS A 11 29.117 -56.172 10.773 1.00 0.00 C ATOM 170 O CYS A 11 28.255 -56.496 9.956 1.00 0.00 O ATOM 171 CB CYS A 11 28.638 -53.759 11.260 1.00 0.00 C ATOM 172 SG CYS A 11 29.435 -52.240 11.803 1.00 0.00 S ATOM 0 H CYS A 11 29.651 -53.756 8.960 1.00 0.00 H new ATOM 0 HA CYS A 11 30.520 -54.767 11.544 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.956 -53.551 10.435 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.040 -54.179 12.069 1.00 0.00 H new ATOM 177 N PHE A 12 29.586 -57.007 11.690 1.00 0.00 N ATOM 178 CA PHE A 12 29.012 -58.350 11.842 1.00 0.00 C ATOM 179 C PHE A 12 28.706 -58.569 13.330 1.00 0.00 C ATOM 180 O PHE A 12 29.452 -58.099 14.191 1.00 0.00 O ATOM 181 CB PHE A 12 30.015 -59.422 11.397 1.00 0.00 C ATOM 182 CG PHE A 12 30.209 -59.513 9.894 1.00 0.00 C ATOM 183 CD1 PHE A 12 31.171 -58.783 9.280 1.00 0.00 C ATOM 184 CD2 PHE A 12 29.475 -60.397 9.175 1.00 0.00 C ATOM 185 CE1 PHE A 12 31.397 -58.936 7.953 1.00 0.00 C ATOM 186 CE2 PHE A 12 29.701 -60.548 7.849 1.00 0.00 C ATOM 187 CZ PHE A 12 30.658 -59.815 7.238 1.00 0.00 C ATOM 0 H PHE A 12 30.348 -56.790 12.332 1.00 0.00 H new ATOM 0 HA PHE A 12 28.113 -58.428 11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.978 -59.217 11.864 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.681 -60.391 11.767 1.00 0.00 H new ATOM 0 HD1 PHE A 12 31.759 -58.078 9.849 1.00 0.00 H new ATOM 0 HD2 PHE A 12 28.708 -60.982 9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 12 32.167 -58.356 7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 12 29.116 -61.255 7.279 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.833 -59.931 6.179 1.00 0.00 H new ATOM 197 N PRO A 13 27.655 -59.307 13.688 1.00 0.00 N ATOM 198 CA PRO A 13 27.364 -59.597 15.095 1.00 0.00 C ATOM 199 C PRO A 13 28.496 -60.358 15.800 1.00 0.00 C ATOM 200 O PRO A 13 29.472 -60.795 15.189 1.00 0.00 O ATOM 201 CB PRO A 13 26.088 -60.435 14.992 1.00 0.00 C ATOM 202 CG PRO A 13 25.461 -60.055 13.650 1.00 0.00 C ATOM 203 CD PRO A 13 26.650 -59.774 12.735 1.00 0.00 C ATOM 0 HA PRO A 13 27.256 -58.697 15.700 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.313 -61.501 15.033 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.409 -60.221 15.818 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.842 -60.862 13.259 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.819 -59.179 13.746 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.976 -60.667 12.202 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.418 -59.020 11.983 1.00 0.00 H new ATOM 211 N LYS A 14 28.361 -60.517 17.109 1.00 0.00 N ATOM 212 CA LYS A 14 29.402 -61.207 17.887 1.00 0.00 C ATOM 213 C LYS A 14 29.500 -62.708 17.565 1.00 0.00 C ATOM 214 O LYS A 14 30.594 -63.262 17.466 1.00 0.00 O ATOM 215 CB LYS A 14 29.131 -60.953 19.375 1.00 0.00 C ATOM 216 CG LYS A 14 27.844 -61.630 19.852 1.00 0.00 C ATOM 217 CD LYS A 14 27.383 -61.083 21.200 1.00 0.00 C ATOM 218 CE LYS A 14 26.192 -61.875 21.746 1.00 0.00 C ATOM 219 NZ LYS A 14 25.079 -61.915 20.777 1.00 0.00 N ATOM 0 H LYS A 14 27.563 -60.189 17.653 1.00 0.00 H new ATOM 0 HA LYS A 14 30.376 -60.802 17.611 1.00 0.00 H new ATOM 0 HB2 LYS A 14 29.972 -61.320 19.963 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.062 -59.880 19.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.059 -61.481 19.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.007 -62.705 19.932 1.00 0.00 H new ATOM 0 HD2 LYS A 14 28.207 -61.125 21.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 27.106 -60.034 21.093 1.00 0.00 H new ATOM 0 HE2 LYS A 14 26.507 -62.891 21.982 1.00 0.00 H new ATOM 0 HE3 LYS A 14 25.849 -61.423 22.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.177 -61.789 21.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 25.197 -61.152 20.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 25.078 -62.833 20.288 1.00 0.00 H new ATOM 233 N GLU A 15 28.359 -63.373 17.407 1.00 0.00 N ATOM 234 CA GLU A 15 28.364 -64.815 17.116 1.00 0.00 C ATOM 235 C GLU A 15 28.737 -65.145 15.665 1.00 0.00 C ATOM 236 O GLU A 15 29.232 -66.236 15.379 1.00 0.00 O ATOM 237 CB GLU A 15 27.003 -65.434 17.466 1.00 0.00 C ATOM 238 CG GLU A 15 25.783 -64.705 16.882 1.00 0.00 C ATOM 239 CD GLU A 15 25.346 -63.526 17.741 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.721 -63.747 18.800 1.00 0.00 O ATOM 241 OE2 GLU A 15 25.631 -62.369 17.364 1.00 0.00 O ATOM 0 H GLU A 15 27.432 -62.952 17.473 1.00 0.00 H new ATOM 0 HA GLU A 15 29.142 -65.251 17.742 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.991 -66.466 17.117 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.903 -65.463 18.551 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.020 -64.352 15.878 1.00 0.00 H new ATOM 0 HG3 GLU A 15 24.955 -65.407 16.785 1.00 0.00 H new ATOM 248 N LYS A 16 28.510 -64.223 14.739 1.00 0.00 N ATOM 249 CA LYS A 16 28.882 -64.479 13.342 1.00 0.00 C ATOM 250 C LYS A 16 30.407 -64.479 13.195 1.00 0.00 C ATOM 251 O LYS A 16 31.123 -63.684 13.805 1.00 0.00 O ATOM 252 CB LYS A 16 28.222 -63.434 12.437 1.00 0.00 C ATOM 253 CG LYS A 16 26.688 -63.519 12.461 1.00 0.00 C ATOM 254 CD LYS A 16 26.142 -64.844 11.917 1.00 0.00 C ATOM 255 CE LYS A 16 26.477 -65.042 10.437 1.00 0.00 C ATOM 256 NZ LYS A 16 25.836 -66.274 9.947 1.00 0.00 N ATOM 0 H LYS A 16 28.083 -63.314 14.915 1.00 0.00 H new ATOM 0 HA LYS A 16 28.525 -65.463 13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.532 -62.438 12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.574 -63.569 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.340 -63.385 13.485 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.277 -62.697 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.555 -65.670 12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.060 -64.872 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.132 -64.185 9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.557 -65.104 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.064 -66.408 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.185 -67.088 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.805 -66.198 10.061 1.00 0.00 H new ATOM 270 N ILE A 17 30.911 -65.418 12.404 1.00 0.00 N ATOM 271 CA ILE A 17 32.360 -65.654 12.375 1.00 0.00 C ATOM 272 C ILE A 17 33.062 -64.597 11.518 1.00 0.00 C ATOM 273 O ILE A 17 32.818 -64.458 10.319 1.00 0.00 O ATOM 274 CB ILE A 17 32.644 -67.076 11.855 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.994 -68.127 12.767 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.153 -67.342 11.773 1.00 0.00 C ATOM 277 CD1 ILE A 17 32.065 -69.538 12.178 1.00 0.00 C ATOM 0 H ILE A 17 30.361 -66.017 11.788 1.00 0.00 H new ATOM 0 HA ILE A 17 32.757 -65.571 13.387 1.00 0.00 H new ATOM 0 HB ILE A 17 32.216 -67.150 10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.489 -68.117 13.738 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.951 -67.860 12.938 1.00 0.00 H new ATOM 0 HG21 ILE A 17 34.325 -68.353 11.403 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.613 -66.624 11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.595 -67.238 12.764 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.591 -70.242 12.862 1.00 0.00 H new ATOM 0 HD12 ILE A 17 31.546 -69.559 11.220 1.00 0.00 H new ATOM 0 HD13 ILE A 17 33.108 -69.819 12.032 1.00 0.00 H new ATOM 289 N CYS A 18 33.978 -63.879 12.151 1.00 0.00 N ATOM 290 CA CYS A 18 34.883 -63.002 11.403 1.00 0.00 C ATOM 291 C CYS A 18 36.060 -63.864 10.948 1.00 0.00 C ATOM 292 O CYS A 18 36.670 -64.571 11.751 1.00 0.00 O ATOM 293 CB CYS A 18 35.340 -61.888 12.349 1.00 0.00 C ATOM 294 SG CYS A 18 36.499 -60.769 11.538 1.00 0.00 S ATOM 0 H CYS A 18 34.118 -63.881 13.161 1.00 0.00 H new ATOM 0 HA CYS A 18 34.410 -62.546 10.533 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.473 -61.326 12.697 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.811 -62.326 13.229 1.00 0.00 H new ATOM 299 N LEU A 19 36.354 -63.860 9.655 1.00 0.00 N ATOM 300 CA LEU A 19 37.368 -64.788 9.137 1.00 0.00 C ATOM 301 C LEU A 19 38.476 -63.954 8.476 1.00 0.00 C ATOM 302 O LEU A 19 38.207 -63.250 7.501 1.00 0.00 O ATOM 303 CB LEU A 19 36.659 -65.733 8.154 1.00 0.00 C ATOM 304 CG LEU A 19 37.412 -67.028 7.813 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.734 -66.757 7.096 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.652 -67.892 9.054 1.00 0.00 C ATOM 0 H LEU A 19 35.925 -63.249 8.960 1.00 0.00 H new ATOM 0 HA LEU A 19 37.834 -65.394 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.688 -65.999 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.471 -65.190 7.228 1.00 0.00 H new ATOM 0 HG LEU A 19 36.767 -67.581 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.229 -67.703 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.540 -66.224 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.377 -66.151 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.187 -68.798 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.245 -67.333 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.695 -68.161 9.500 1.00 0.00 H new ATOM 318 N PRO A 20 39.720 -63.972 8.966 1.00 0.00 N ATOM 319 CA PRO A 20 40.152 -64.853 10.061 1.00 0.00 C ATOM 320 C PRO A 20 39.691 -64.348 11.438 1.00 0.00 C ATOM 321 O PRO A 20 39.315 -63.184 11.589 1.00 0.00 O ATOM 322 CB PRO A 20 41.677 -64.789 9.912 1.00 0.00 C ATOM 323 CG PRO A 20 41.956 -63.419 9.297 1.00 0.00 C ATOM 324 CD PRO A 20 40.788 -63.196 8.341 1.00 0.00 C ATOM 0 HA PRO A 20 39.736 -65.859 10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 20 42.173 -64.897 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 20 42.045 -65.591 9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 20 42.001 -62.641 10.059 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.910 -63.405 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.528 -62.141 8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 20 41.013 -63.550 7.335 1.00 0.00 H new ATOM 332 N PRO A 21 39.695 -65.202 12.464 1.00 0.00 N ATOM 333 CA PRO A 21 39.128 -64.848 13.771 1.00 0.00 C ATOM 334 C PRO A 21 39.940 -63.803 14.544 1.00 0.00 C ATOM 335 O PRO A 21 39.373 -62.998 15.283 1.00 0.00 O ATOM 336 CB PRO A 21 39.088 -66.202 14.486 1.00 0.00 C ATOM 337 CG PRO A 21 40.140 -67.064 13.786 1.00 0.00 C ATOM 338 CD PRO A 21 40.123 -66.594 12.334 1.00 0.00 C ATOM 0 HA PRO A 21 38.156 -64.364 13.683 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.313 -66.093 15.547 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.099 -66.655 14.415 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.124 -66.929 14.234 1.00 0.00 H new ATOM 0 HG3 PRO A 21 39.898 -68.124 13.862 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.105 -66.676 11.868 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.432 -67.177 11.725 1.00 0.00 H new ATOM 346 N SER A 22 41.258 -63.789 14.382 1.00 0.00 N ATOM 347 CA SER A 22 42.062 -62.748 15.034 1.00 0.00 C ATOM 348 C SER A 22 42.232 -61.550 14.093 1.00 0.00 C ATOM 349 O SER A 22 43.345 -61.177 13.722 1.00 0.00 O ATOM 350 CB SER A 22 43.418 -63.338 15.428 1.00 0.00 C ATOM 351 OG SER A 22 43.243 -64.379 16.380 1.00 0.00 O ATOM 0 H SER A 22 41.785 -64.461 13.824 1.00 0.00 H new ATOM 0 HA SER A 22 41.557 -62.396 15.934 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.925 -63.725 14.544 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.055 -62.558 15.845 1.00 0.00 H new ATOM 0 HG SER A 22 44.117 -64.750 16.623 1.00 0.00 H new ATOM 357 N SER A 23 41.121 -60.937 13.698 1.00 0.00 N ATOM 358 CA SER A 23 41.184 -59.782 12.793 1.00 0.00 C ATOM 359 C SER A 23 39.827 -59.073 12.786 1.00 0.00 C ATOM 360 O SER A 23 39.080 -59.104 11.807 1.00 0.00 O ATOM 361 CB SER A 23 41.550 -60.243 11.379 1.00 0.00 C ATOM 362 OG SER A 23 42.904 -60.674 11.331 1.00 0.00 O ATOM 0 H SER A 23 40.180 -61.210 13.981 1.00 0.00 H new ATOM 0 HA SER A 23 41.951 -59.089 13.139 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.892 -61.057 11.074 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.397 -59.427 10.673 1.00 0.00 H new ATOM 0 HG SER A 23 43.330 -60.511 12.198 1.00 0.00 H new ATOM 368 N ASP A 24 39.509 -58.412 13.890 1.00 0.00 N ATOM 369 CA ASP A 24 38.250 -57.667 13.971 1.00 0.00 C ATOM 370 C ASP A 24 38.403 -56.541 14.998 1.00 0.00 C ATOM 371 O ASP A 24 39.176 -56.633 15.953 1.00 0.00 O ATOM 372 CB ASP A 24 37.074 -58.596 14.311 1.00 0.00 C ATOM 373 CG ASP A 24 37.254 -59.474 15.545 1.00 0.00 C ATOM 374 OD1 ASP A 24 37.577 -58.948 16.631 1.00 0.00 O ATOM 375 OD2 ASP A 24 37.032 -60.700 15.438 1.00 0.00 O ATOM 0 H ASP A 24 40.088 -58.373 14.729 1.00 0.00 H new ATOM 0 HA ASP A 24 38.025 -57.228 12.999 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.182 -57.985 14.451 1.00 0.00 H new ATOM 0 HB3 ASP A 24 36.887 -59.242 13.453 1.00 0.00 H new ATOM 380 N PHE A 25 37.656 -55.461 14.807 1.00 0.00 N ATOM 381 CA PHE A 25 37.657 -54.390 15.814 1.00 0.00 C ATOM 382 C PHE A 25 36.502 -54.631 16.798 1.00 0.00 C ATOM 383 O PHE A 25 35.697 -55.550 16.637 1.00 0.00 O ATOM 384 CB PHE A 25 37.554 -53.017 15.135 1.00 0.00 C ATOM 385 CG PHE A 25 38.677 -52.742 14.146 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.933 -52.496 14.591 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.418 -52.718 12.816 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.925 -52.226 13.710 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.410 -52.446 11.936 1.00 0.00 C ATOM 390 CZ PHE A 25 40.663 -52.198 12.383 1.00 0.00 C ATOM 0 H PHE A 25 37.059 -55.298 13.996 1.00 0.00 H new ATOM 0 HA PHE A 25 38.594 -54.400 16.371 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.598 -52.949 14.615 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.557 -52.241 15.900 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.143 -52.515 15.650 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.419 -52.916 12.458 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.926 -52.033 14.067 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.201 -52.427 10.877 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.453 -51.978 11.681 1.00 0.00 H new ATOM 400 N GLY A 26 36.427 -53.820 17.847 1.00 0.00 N ATOM 401 CA GLY A 26 35.415 -54.062 18.885 1.00 0.00 C ATOM 402 C GLY A 26 34.090 -53.401 18.519 1.00 0.00 C ATOM 403 O GLY A 26 33.641 -53.476 17.374 1.00 0.00 O ATOM 0 H GLY A 26 37.030 -53.013 18.006 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.268 -55.135 19.012 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.768 -53.673 19.840 1.00 0.00 H new ATOM 407 N LYS A 27 33.460 -52.722 19.471 1.00 0.00 N ATOM 408 CA LYS A 27 32.277 -51.932 19.108 1.00 0.00 C ATOM 409 C LYS A 27 32.774 -50.684 18.376 1.00 0.00 C ATOM 410 O LYS A 27 33.614 -49.934 18.878 1.00 0.00 O ATOM 411 CB LYS A 27 31.397 -51.626 20.333 1.00 0.00 C ATOM 412 CG LYS A 27 31.770 -50.360 21.117 1.00 0.00 C ATOM 413 CD LYS A 27 31.129 -49.105 20.510 1.00 0.00 C ATOM 414 CE LYS A 27 31.618 -47.832 21.199 1.00 0.00 C ATOM 415 NZ LYS A 27 31.001 -46.659 20.556 1.00 0.00 N ATOM 0 H LYS A 27 33.727 -52.696 20.455 1.00 0.00 H new ATOM 0 HA LYS A 27 31.619 -52.493 18.444 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.363 -51.535 20.001 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.441 -52.478 21.011 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.450 -50.467 22.153 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.854 -50.245 21.128 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.362 -49.056 19.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.044 -49.172 20.596 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.361 -47.857 22.258 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.704 -47.766 21.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.333 -45.792 21.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.267 -46.634 19.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.966 -46.722 20.638 1.00 0.00 H new ATOM 429 N MET A 28 32.287 -50.479 17.164 1.00 0.00 N ATOM 430 CA MET A 28 32.857 -49.423 16.322 1.00 0.00 C ATOM 431 C MET A 28 31.777 -48.383 16.017 1.00 0.00 C ATOM 432 O MET A 28 31.547 -47.476 16.818 1.00 0.00 O ATOM 433 CB MET A 28 33.445 -50.105 15.083 1.00 0.00 C ATOM 434 CG MET A 28 34.744 -50.844 15.410 1.00 0.00 C ATOM 435 SD MET A 28 36.083 -49.666 15.645 1.00 0.00 S ATOM 436 CE MET A 28 36.399 -49.258 13.918 1.00 0.00 C ATOM 0 H MET A 28 31.522 -51.007 16.744 1.00 0.00 H new ATOM 0 HA MET A 28 33.661 -48.874 16.813 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.719 -50.808 14.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.635 -49.359 14.312 1.00 0.00 H new ATOM 0 HG2 MET A 28 34.614 -51.443 16.311 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.993 -51.533 14.603 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.232 -48.558 13.856 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.647 -50.166 13.369 1.00 0.00 H new ATOM 0 HE3 MET A 28 35.509 -48.802 13.483 1.00 0.00 H new ATOM 446 N ASP A 29 31.103 -48.497 14.878 1.00 0.00 N ATOM 447 CA ASP A 29 30.043 -47.534 14.557 1.00 0.00 C ATOM 448 C ASP A 29 28.773 -48.280 14.133 1.00 0.00 C ATOM 449 O ASP A 29 28.204 -48.048 13.065 1.00 0.00 O ATOM 450 CB ASP A 29 30.577 -46.597 13.470 1.00 0.00 C ATOM 451 CG ASP A 29 29.684 -45.382 13.279 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.665 -44.501 14.164 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.008 -45.294 12.233 1.00 0.00 O ATOM 0 H ASP A 29 31.260 -49.221 14.177 1.00 0.00 H new ATOM 0 HA ASP A 29 29.769 -46.934 15.425 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.583 -46.270 13.735 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.656 -47.141 12.529 1.00 0.00 H new ATOM 458 N CYS A 30 28.316 -49.186 14.991 1.00 0.00 N ATOM 459 CA CYS A 30 27.096 -49.940 14.686 1.00 0.00 C ATOM 460 C CYS A 30 26.315 -50.197 15.976 1.00 0.00 C ATOM 461 O CYS A 30 25.311 -49.538 16.246 1.00 0.00 O ATOM 462 CB CYS A 30 27.458 -51.247 13.973 1.00 0.00 C ATOM 463 SG CYS A 30 28.036 -50.903 12.304 1.00 0.00 S ATOM 0 H CYS A 30 28.755 -49.416 15.882 1.00 0.00 H new ATOM 0 HA CYS A 30 26.459 -49.361 14.017 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.231 -51.773 14.533 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.588 -51.903 13.937 1.00 0.00 H new ATOM 468 N ARG A 31 26.749 -51.167 16.774 1.00 0.00 N ATOM 469 CA ARG A 31 25.966 -51.552 17.949 1.00 0.00 C ATOM 470 C ARG A 31 26.911 -51.957 19.084 1.00 0.00 C ATOM 471 O ARG A 31 28.103 -52.191 18.882 1.00 0.00 O ATOM 472 CB ARG A 31 25.039 -52.688 17.506 1.00 0.00 C ATOM 473 CG ARG A 31 23.926 -52.948 18.516 1.00 0.00 C ATOM 474 CD ARG A 31 22.898 -53.911 17.922 1.00 0.00 C ATOM 475 NE ARG A 31 21.760 -54.073 18.832 1.00 0.00 N ATOM 476 CZ ARG A 31 20.684 -54.753 18.455 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.624 -55.347 17.278 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.653 -54.833 19.270 1.00 0.00 N ATOM 0 H ARG A 31 27.614 -51.690 16.638 1.00 0.00 H new ATOM 0 HA ARG A 31 25.362 -50.731 18.337 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.600 -52.441 16.539 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.622 -53.598 17.368 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.344 -53.368 19.431 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.443 -52.009 18.788 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.551 -53.534 16.960 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.363 -54.879 17.736 1.00 0.00 H new ATOM 0 HE ARG A 31 21.795 -53.659 19.764 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.415 -55.289 16.637 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.787 -55.864 17.010 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.686 -54.375 20.181 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.821 -55.353 18.991 1.00 0.00 H new ATOM 492 N TRP A 32 26.385 -52.023 20.301 1.00 0.00 N ATOM 493 CA TRP A 32 27.242 -52.293 21.464 1.00 0.00 C ATOM 494 C TRP A 32 27.943 -53.656 21.391 1.00 0.00 C ATOM 495 O TRP A 32 29.154 -53.746 21.590 1.00 0.00 O ATOM 496 CB TRP A 32 26.381 -52.143 22.725 1.00 0.00 C ATOM 497 CG TRP A 32 27.152 -52.363 24.013 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.884 -53.346 24.972 1.00 0.00 C ATOM 499 CD2 TRP A 32 28.210 -51.638 24.506 1.00 0.00 C ATOM 500 NE1 TRP A 32 27.773 -53.243 26.053 1.00 0.00 N ATOM 501 CE2 TRP A 32 28.575 -52.163 25.716 1.00 0.00 C ATOM 502 CE3 TRP A 32 28.847 -50.569 23.979 1.00 0.00 C ATOM 503 CZ2 TRP A 32 29.591 -51.620 26.426 1.00 0.00 C ATOM 504 CZ3 TRP A 32 29.869 -50.026 24.693 1.00 0.00 C ATOM 505 CH2 TRP A 32 30.235 -50.544 25.901 1.00 0.00 C ATOM 0 H TRP A 32 25.395 -51.898 20.513 1.00 0.00 H new ATOM 0 HA TRP A 32 28.059 -51.572 21.484 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.942 -51.145 22.739 1.00 0.00 H new ATOM 0 HB3 TRP A 32 25.556 -52.854 22.679 1.00 0.00 H new ATOM 0 HD1 TRP A 32 26.099 -54.084 24.891 1.00 0.00 H new ATOM 0 HE1 TRP A 32 27.819 -53.825 26.889 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.554 -50.160 23.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 29.882 -52.030 27.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 30.399 -49.172 24.298 1.00 0.00 H new ATOM 0 HH2 TRP A 32 31.049 -50.092 26.449 1.00 0.00 H new ATOM 516 N ARG A 33 27.201 -54.719 21.109 1.00 0.00 N ATOM 517 CA ARG A 33 27.824 -56.052 21.049 1.00 0.00 C ATOM 518 C ARG A 33 28.066 -56.540 19.612 1.00 0.00 C ATOM 519 O ARG A 33 28.064 -57.744 19.354 1.00 0.00 O ATOM 520 CB ARG A 33 26.936 -57.048 21.802 1.00 0.00 C ATOM 521 CG ARG A 33 26.943 -56.791 23.311 1.00 0.00 C ATOM 522 CD ARG A 33 26.181 -57.893 24.050 1.00 0.00 C ATOM 523 NE ARG A 33 26.106 -57.593 25.486 1.00 0.00 N ATOM 524 CZ ARG A 33 27.129 -57.832 26.298 1.00 0.00 C ATOM 525 NH1 ARG A 33 28.260 -58.350 25.854 1.00 0.00 N ATOM 526 NH2 ARG A 33 27.012 -57.542 27.577 1.00 0.00 N ATOM 0 H ARG A 33 26.198 -54.698 20.922 1.00 0.00 H new ATOM 0 HA ARG A 33 28.806 -55.979 21.517 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.915 -56.980 21.427 1.00 0.00 H new ATOM 0 HB3 ARG A 33 27.281 -58.063 21.605 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.970 -56.747 23.673 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.489 -55.823 23.522 1.00 0.00 H new ATOM 0 HD2 ARG A 33 25.176 -57.986 23.639 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.678 -58.851 23.898 1.00 0.00 H new ATOM 0 HE ARG A 33 25.249 -57.192 25.868 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.363 -58.577 24.865 1.00 0.00 H new ATOM 0 HH12 ARG A 33 29.030 -58.523 26.500 1.00 0.00 H new ATOM 0 HH21 ARG A 33 26.144 -57.140 27.931 1.00 0.00 H new ATOM 0 HH22 ARG A 33 27.789 -57.720 28.213 1.00 0.00 H new ATOM 540 N TRP A 34 28.309 -55.636 18.669 1.00 0.00 N ATOM 541 CA TRP A 34 28.642 -56.058 17.300 1.00 0.00 C ATOM 542 C TRP A 34 30.083 -55.647 16.987 1.00 0.00 C ATOM 543 O TRP A 34 30.625 -54.702 17.563 1.00 0.00 O ATOM 544 CB TRP A 34 27.681 -55.384 16.312 1.00 0.00 C ATOM 545 CG TRP A 34 26.297 -56.013 16.252 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.728 -56.953 17.123 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.347 -55.785 15.287 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.441 -57.311 16.704 1.00 0.00 N ATOM 549 CE2 TRP A 34 24.249 -56.558 15.556 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.386 -54.965 14.212 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.166 -56.525 14.746 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.294 -54.929 13.402 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.199 -55.700 13.665 1.00 0.00 C ATOM 0 H TRP A 34 28.285 -54.627 18.815 1.00 0.00 H new ATOM 0 HA TRP A 34 28.546 -57.140 17.210 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.578 -54.334 16.584 1.00 0.00 H new ATOM 0 HB3 TRP A 34 28.123 -55.413 15.316 1.00 0.00 H new ATOM 0 HD1 TRP A 34 26.218 -57.348 18.001 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.797 -57.970 17.140 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.255 -54.359 14.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.300 -57.136 14.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.293 -54.281 12.538 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.346 -55.654 13.005 1.00 0.00 H new ATOM 564 N LYS A 35 30.710 -56.369 16.065 1.00 0.00 N ATOM 565 CA LYS A 35 32.119 -56.105 15.743 1.00 0.00 C ATOM 566 C LYS A 35 32.284 -55.603 14.304 1.00 0.00 C ATOM 567 O LYS A 35 31.430 -55.807 13.442 1.00 0.00 O ATOM 568 CB LYS A 35 32.941 -57.387 15.946 1.00 0.00 C ATOM 569 CG LYS A 35 32.417 -58.580 15.132 1.00 0.00 C ATOM 570 CD LYS A 35 33.401 -59.752 15.101 1.00 0.00 C ATOM 571 CE LYS A 35 33.676 -60.324 16.492 1.00 0.00 C ATOM 572 NZ LYS A 35 34.644 -61.430 16.386 1.00 0.00 N ATOM 0 H LYS A 35 30.282 -57.127 15.534 1.00 0.00 H new ATOM 0 HA LYS A 35 32.479 -55.323 16.412 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.977 -57.194 15.668 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.938 -57.649 17.004 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.471 -58.916 15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.212 -58.256 14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 33.003 -60.539 14.460 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.340 -59.422 14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.068 -59.545 17.146 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.748 -60.680 16.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.061 -61.617 17.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.159 -62.285 16.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.396 -61.170 15.717 1.00 0.00 H new ATOM 586 N CYS A 36 33.420 -54.967 14.041 1.00 0.00 N ATOM 587 CA CYS A 36 33.735 -54.536 12.672 1.00 0.00 C ATOM 588 C CYS A 36 34.845 -55.447 12.143 1.00 0.00 C ATOM 589 O CYS A 36 36.009 -55.339 12.526 1.00 0.00 O ATOM 590 CB CYS A 36 34.200 -53.083 12.755 1.00 0.00 C ATOM 591 SG CYS A 36 34.527 -52.359 11.139 1.00 0.00 S ATOM 0 H CYS A 36 34.129 -54.739 14.738 1.00 0.00 H new ATOM 0 HA CYS A 36 32.879 -54.601 12.000 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.439 -52.492 13.265 1.00 0.00 H new ATOM 0 HB3 CYS A 36 35.104 -53.030 13.361 1.00 0.00 H new ATOM 596 N CYS A 37 34.476 -56.384 11.283 1.00 0.00 N ATOM 597 CA CYS A 37 35.436 -57.406 10.850 1.00 0.00 C ATOM 598 C CYS A 37 36.373 -56.865 9.770 1.00 0.00 C ATOM 599 O CYS A 37 36.018 -56.004 8.964 1.00 0.00 O ATOM 600 CB CYS A 37 34.622 -58.592 10.336 1.00 0.00 C ATOM 601 SG CYS A 37 35.670 -59.990 9.894 1.00 0.00 S ATOM 0 H CYS A 37 33.544 -56.464 10.876 1.00 0.00 H new ATOM 0 HA CYS A 37 36.073 -57.710 11.680 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.909 -58.901 11.101 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.043 -58.284 9.466 1.00 0.00 H new ATOM 606 N LYS A 38 37.594 -57.379 9.765 1.00 0.00 N ATOM 607 CA LYS A 38 38.607 -56.871 8.833 1.00 0.00 C ATOM 608 C LYS A 38 38.453 -57.564 7.477 1.00 0.00 C ATOM 609 O LYS A 38 38.711 -58.759 7.326 1.00 0.00 O ATOM 610 CB LYS A 38 39.976 -57.119 9.479 1.00 0.00 C ATOM 611 CG LYS A 38 41.171 -56.520 8.721 1.00 0.00 C ATOM 612 CD LYS A 38 41.591 -57.302 7.466 1.00 0.00 C ATOM 613 CE LYS A 38 41.957 -58.763 7.749 1.00 0.00 C ATOM 614 NZ LYS A 38 43.114 -58.845 8.661 1.00 0.00 N ATOM 0 H LYS A 38 37.909 -58.131 10.378 1.00 0.00 H new ATOM 0 HA LYS A 38 38.494 -55.804 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.964 -56.709 10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 38 40.127 -58.194 9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.925 -55.498 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 38 42.023 -56.463 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.778 -57.274 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 38 42.445 -56.804 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.103 -59.278 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.188 -59.273 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.367 -59.842 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.923 -58.343 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.869 -58.407 9.572 1.00 0.00 H new