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 Single : A 2 LYS NZ :NH3+ -166:sc= -0.0207 (180deg=-0.282) USER MOD Single : A 3 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.92) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0103 (180deg=-0.17) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 1.21 (180deg=0.679) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= 0.104 (180deg=0.00463) USER MOD Single : A 28 MET CE :methyl 178:sc= -1.19 (180deg=-1.23) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 30.204 -44.314 9.771 1.00 0.00 N ATOM 25 CA LYS A 2 31.110 -43.270 10.261 1.00 0.00 C ATOM 26 C LYS A 2 32.428 -43.853 10.778 1.00 0.00 C ATOM 27 O LYS A 2 33.502 -43.525 10.273 1.00 0.00 O ATOM 28 CB LYS A 2 30.378 -42.478 11.352 1.00 0.00 C ATOM 29 CG LYS A 2 31.167 -41.261 11.844 1.00 0.00 C ATOM 30 CD LYS A 2 31.252 -40.170 10.772 1.00 0.00 C ATOM 31 CE LYS A 2 32.028 -38.947 11.265 1.00 0.00 C ATOM 32 NZ LYS A 2 31.352 -38.332 12.421 1.00 0.00 N ATOM 0 HA LYS A 2 31.379 -42.607 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.414 -42.147 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.175 -43.137 12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 2 30.692 -40.857 12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 2 32.173 -41.570 12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.735 -40.572 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.246 -39.869 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 2 33.040 -39.240 11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 2 32.117 -38.218 10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 31.749 -37.386 12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 30.334 -38.250 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 31.496 -38.925 13.263 1.00 0.00 H new ATOM 46 N GLN A 3 32.370 -44.682 11.812 1.00 0.00 N ATOM 47 CA GLN A 3 33.611 -45.107 12.471 1.00 0.00 C ATOM 48 C GLN A 3 34.350 -46.185 11.675 1.00 0.00 C ATOM 49 O GLN A 3 35.508 -46.006 11.296 1.00 0.00 O ATOM 50 CB GLN A 3 33.274 -45.588 13.886 1.00 0.00 C ATOM 51 CG GLN A 3 34.525 -45.842 14.733 1.00 0.00 C ATOM 52 CD GLN A 3 35.304 -44.564 15.014 1.00 0.00 C ATOM 53 OE1 GLN A 3 36.218 -44.186 14.283 1.00 0.00 O ATOM 54 NE2 GLN A 3 34.955 -43.885 16.088 1.00 0.00 N ATOM 0 H GLN A 3 31.511 -45.066 12.207 1.00 0.00 H new ATOM 0 HA GLN A 3 34.291 -44.256 12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 3 32.650 -44.844 14.380 1.00 0.00 H new ATOM 0 HB3 GLN A 3 32.688 -46.505 13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 3 34.234 -46.302 15.677 1.00 0.00 H new ATOM 0 HG3 GLN A 3 35.171 -46.553 14.218 1.00 0.00 H new ATOM 0 HE21 GLN A 3 34.193 -44.220 16.678 1.00 0.00 H new ATOM 0 HE22 GLN A 3 35.447 -43.024 16.329 1.00 0.00 H new ATOM 63 N CYS A 4 33.711 -47.324 11.447 1.00 0.00 N ATOM 64 CA CYS A 4 34.439 -48.445 10.842 1.00 0.00 C ATOM 65 C CYS A 4 34.640 -48.282 9.333 1.00 0.00 C ATOM 66 O CYS A 4 35.632 -48.754 8.778 1.00 0.00 O ATOM 67 CB CYS A 4 33.707 -49.751 11.143 1.00 0.00 C ATOM 68 SG CYS A 4 34.801 -51.125 10.751 1.00 0.00 S ATOM 0 H CYS A 4 32.729 -47.500 11.659 1.00 0.00 H new ATOM 0 HA CYS A 4 35.435 -48.463 11.286 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.415 -49.788 12.192 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.792 -49.816 10.555 1.00 0.00 H new ATOM 73 N HIS A 5 33.714 -47.617 8.654 1.00 0.00 N ATOM 74 CA HIS A 5 33.876 -47.399 7.210 1.00 0.00 C ATOM 75 C HIS A 5 35.106 -46.537 6.896 1.00 0.00 C ATOM 76 O HIS A 5 35.780 -46.744 5.887 1.00 0.00 O ATOM 77 CB HIS A 5 32.594 -46.743 6.688 1.00 0.00 C ATOM 78 CG HIS A 5 32.571 -46.612 5.180 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.480 -45.408 4.504 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.572 -47.683 4.274 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.436 -45.865 3.213 1.00 0.00 C ATOM 82 NE2 HIS A 5 32.489 -47.214 2.974 1.00 0.00 N ATOM 0 H HIS A 5 32.863 -47.226 9.059 1.00 0.00 H new ATOM 0 HA HIS A 5 34.041 -48.355 6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.734 -47.331 7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.490 -45.754 7.135 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.629 -48.725 4.551 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.360 -45.169 2.391 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.472 -47.725 2.092 1.00 0.00 H new ATOM 91 N LYS A 6 35.413 -45.575 7.757 1.00 0.00 N ATOM 92 CA LYS A 6 36.612 -44.755 7.544 1.00 0.00 C ATOM 93 C LYS A 6 37.898 -45.557 7.777 1.00 0.00 C ATOM 94 O LYS A 6 38.868 -45.416 7.032 1.00 0.00 O ATOM 95 CB LYS A 6 36.539 -43.545 8.481 1.00 0.00 C ATOM 96 CG LYS A 6 37.676 -42.556 8.217 1.00 0.00 C ATOM 97 CD LYS A 6 37.548 -41.332 9.125 1.00 0.00 C ATOM 98 CE LYS A 6 38.688 -40.335 8.903 1.00 0.00 C ATOM 99 NZ LYS A 6 39.975 -40.916 9.325 1.00 0.00 N ATOM 0 H LYS A 6 34.870 -45.343 8.589 1.00 0.00 H new ATOM 0 HA LYS A 6 36.641 -44.422 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.581 -43.041 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.584 -43.883 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.636 -43.043 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.658 -42.244 7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.594 -40.840 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.543 -41.652 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.736 -40.058 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 6 38.494 -39.421 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.698 -40.169 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 39.871 -41.342 10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 40.266 -41.647 8.645 1.00 0.00 H new ATOM 113 N LYS A 7 37.930 -46.396 8.807 1.00 0.00 N ATOM 114 CA LYS A 7 39.142 -47.183 9.066 1.00 0.00 C ATOM 115 C LYS A 7 39.278 -48.328 8.059 1.00 0.00 C ATOM 116 O LYS A 7 40.280 -48.432 7.352 1.00 0.00 O ATOM 117 CB LYS A 7 39.126 -47.730 10.497 1.00 0.00 C ATOM 118 CG LYS A 7 39.095 -46.611 11.540 1.00 0.00 C ATOM 119 CD LYS A 7 39.307 -47.175 12.944 1.00 0.00 C ATOM 120 CE LYS A 7 39.164 -46.075 13.995 1.00 0.00 C ATOM 121 NZ LYS A 7 39.430 -46.622 15.336 1.00 0.00 N ATOM 0 H LYS A 7 37.161 -46.550 9.460 1.00 0.00 H new ATOM 0 HA LYS A 7 40.004 -46.526 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.256 -48.373 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 7 40.008 -48.350 10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.870 -45.877 11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.139 -46.089 11.493 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.582 -47.966 13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.297 -47.626 13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.859 -45.263 13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 7 38.159 -45.654 13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 39.331 -45.867 16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 38.751 -47.382 15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 40.397 -47.003 15.370 1.00 0.00 H new ATOM 135 N GLY A 8 38.280 -49.200 7.992 1.00 0.00 N ATOM 136 CA GLY A 8 38.344 -50.309 7.037 1.00 0.00 C ATOM 137 C GLY A 8 37.725 -51.565 7.637 1.00 0.00 C ATOM 138 O GLY A 8 38.417 -52.423 8.184 1.00 0.00 O ATOM 0 H GLY A 8 37.438 -49.169 8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.818 -50.039 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.381 -50.502 6.764 1.00 0.00 H new ATOM 142 N GLY A 9 36.410 -51.686 7.530 1.00 0.00 N ATOM 143 CA GLY A 9 35.752 -52.879 8.067 1.00 0.00 C ATOM 144 C GLY A 9 34.240 -52.818 7.877 1.00 0.00 C ATOM 145 O GLY A 9 33.666 -51.791 7.515 1.00 0.00 O ATOM 0 H GLY A 9 35.791 -51.002 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 9 36.146 -53.767 7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.983 -52.976 9.128 1.00 0.00 H new ATOM 149 N HIS A 10 33.586 -53.944 8.128 1.00 0.00 N ATOM 150 CA HIS A 10 32.126 -53.995 7.987 1.00 0.00 C ATOM 151 C HIS A 10 31.542 -54.573 9.277 1.00 0.00 C ATOM 152 O HIS A 10 31.972 -55.625 9.751 1.00 0.00 O ATOM 153 CB HIS A 10 31.752 -54.879 6.791 1.00 0.00 C ATOM 154 CG HIS A 10 32.212 -54.297 5.470 1.00 0.00 C ATOM 155 ND1 HIS A 10 33.513 -54.349 4.999 1.00 0.00 N ATOM 156 CD2 HIS A 10 31.375 -53.683 4.524 1.00 0.00 C ATOM 157 CE1 HIS A 10 33.349 -53.744 3.781 1.00 0.00 C ATOM 158 NE2 HIS A 10 32.105 -53.305 3.409 1.00 0.00 N ATOM 0 H HIS A 10 34.024 -54.817 8.423 1.00 0.00 H new ATOM 0 HA HIS A 10 31.725 -52.996 7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 10 32.194 -55.867 6.922 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.671 -55.014 6.768 1.00 0.00 H new ATOM 0 HD2 HIS A 10 30.313 -53.528 4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 10 34.193 -53.614 3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 10 31.803 -52.835 2.556 1.00 0.00 H new ATOM 167 N CYS A 11 30.574 -53.886 9.872 1.00 0.00 N ATOM 168 CA CYS A 11 30.060 -54.349 11.166 1.00 0.00 C ATOM 169 C CYS A 11 29.048 -55.481 11.002 1.00 0.00 C ATOM 170 O CYS A 11 28.160 -55.452 10.149 1.00 0.00 O ATOM 171 CB CYS A 11 29.462 -53.186 11.956 1.00 0.00 C ATOM 172 SG CYS A 11 28.912 -53.790 13.565 1.00 0.00 S ATOM 0 H CYS A 11 30.140 -53.040 9.503 1.00 0.00 H new ATOM 0 HA CYS A 11 30.902 -54.750 11.731 1.00 0.00 H new ATOM 0 HB2 CYS A 11 30.203 -52.397 12.083 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.624 -52.752 11.410 1.00 0.00 H new ATOM 177 N PHE A 12 29.199 -56.488 11.848 1.00 0.00 N ATOM 178 CA PHE A 12 28.283 -57.633 11.820 1.00 0.00 C ATOM 179 C PHE A 12 27.957 -58.021 13.267 1.00 0.00 C ATOM 180 O PHE A 12 28.725 -57.718 14.181 1.00 0.00 O ATOM 181 CB PHE A 12 28.954 -58.831 11.136 1.00 0.00 C ATOM 182 CG PHE A 12 29.373 -58.559 9.704 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.443 -58.431 8.730 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.685 -58.470 9.395 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.826 -58.205 7.455 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.068 -58.248 8.119 1.00 0.00 C ATOM 187 CZ PHE A 12 30.138 -58.115 7.149 1.00 0.00 C ATOM 0 H PHE A 12 29.933 -56.543 12.554 1.00 0.00 H new ATOM 0 HA PHE A 12 27.381 -57.364 11.271 1.00 0.00 H new ATOM 0 HB2 PHE A 12 29.832 -59.123 11.713 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.267 -59.678 11.150 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.393 -58.510 8.972 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.429 -58.577 10.170 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.082 -58.096 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.118 -58.177 7.875 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.444 -57.937 6.129 1.00 0.00 H new ATOM 197 N PRO A 13 26.850 -58.717 13.524 1.00 0.00 N ATOM 198 CA PRO A 13 26.486 -59.096 14.891 1.00 0.00 C ATOM 199 C PRO A 13 27.505 -60.006 15.580 1.00 0.00 C ATOM 200 O PRO A 13 28.519 -60.409 15.011 1.00 0.00 O ATOM 201 CB PRO A 13 25.149 -59.810 14.676 1.00 0.00 C ATOM 202 CG PRO A 13 24.590 -59.222 13.382 1.00 0.00 C ATOM 203 CD PRO A 13 25.821 -58.964 12.516 1.00 0.00 C ATOM 0 HA PRO A 13 26.442 -58.236 15.559 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.286 -60.888 14.593 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.471 -59.639 15.512 1.00 0.00 H new ATOM 0 HG2 PRO A 13 23.901 -59.914 12.897 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.037 -58.302 13.571 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.064 -59.819 11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.683 -58.109 11.854 1.00 0.00 H new ATOM 211 N LYS A 14 27.218 -60.340 16.830 1.00 0.00 N ATOM 212 CA LYS A 14 28.114 -61.223 17.588 1.00 0.00 C ATOM 213 C LYS A 14 28.246 -62.611 16.949 1.00 0.00 C ATOM 214 O LYS A 14 29.344 -63.157 16.850 1.00 0.00 O ATOM 215 CB LYS A 14 27.548 -61.335 19.009 1.00 0.00 C ATOM 216 CG LYS A 14 28.367 -62.270 19.903 1.00 0.00 C ATOM 217 CD LYS A 14 29.777 -61.737 20.162 1.00 0.00 C ATOM 218 CE LYS A 14 30.576 -62.756 20.973 1.00 0.00 C ATOM 219 NZ LYS A 14 31.936 -62.252 21.222 1.00 0.00 N ATOM 0 H LYS A 14 26.392 -60.025 17.338 1.00 0.00 H new ATOM 0 HA LYS A 14 29.118 -60.799 17.595 1.00 0.00 H new ATOM 0 HB2 LYS A 14 27.516 -60.344 19.461 1.00 0.00 H new ATOM 0 HB3 LYS A 14 26.521 -61.696 18.958 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.851 -62.404 20.854 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.432 -63.252 19.435 1.00 0.00 H new ATOM 0 HD2 LYS A 14 30.280 -61.538 19.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 29.725 -60.791 20.701 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.074 -62.952 21.920 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.624 -63.703 20.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.470 -62.953 21.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.417 -62.087 20.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 31.884 -61.360 21.753 1.00 0.00 H new ATOM 233 N GLU A 15 27.130 -63.201 16.536 1.00 0.00 N ATOM 234 CA GLU A 15 27.171 -64.575 16.016 1.00 0.00 C ATOM 235 C GLU A 15 27.997 -64.743 14.733 1.00 0.00 C ATOM 236 O GLU A 15 28.489 -65.833 14.445 1.00 0.00 O ATOM 237 CB GLU A 15 25.739 -65.068 15.773 1.00 0.00 C ATOM 238 CG GLU A 15 24.996 -64.260 14.703 1.00 0.00 C ATOM 239 CD GLU A 15 23.652 -64.883 14.361 1.00 0.00 C ATOM 240 OE1 GLU A 15 22.753 -64.899 15.229 1.00 0.00 O ATOM 241 OE2 GLU A 15 23.487 -65.358 13.215 1.00 0.00 O ATOM 0 H GLU A 15 26.206 -62.769 16.547 1.00 0.00 H new ATOM 0 HA GLU A 15 27.674 -65.173 16.776 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.768 -66.116 15.473 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.181 -65.020 16.708 1.00 0.00 H new ATOM 0 HG2 GLU A 15 24.845 -63.240 15.057 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.608 -64.198 13.803 1.00 0.00 H new ATOM 248 N LYS A 16 28.131 -63.693 13.934 1.00 0.00 N ATOM 249 CA LYS A 16 28.786 -63.856 12.631 1.00 0.00 C ATOM 250 C LYS A 16 30.300 -63.965 12.803 1.00 0.00 C ATOM 251 O LYS A 16 30.928 -63.189 13.524 1.00 0.00 O ATOM 252 CB LYS A 16 28.446 -62.680 11.709 1.00 0.00 C ATOM 253 CG LYS A 16 26.942 -62.428 11.568 1.00 0.00 C ATOM 254 CD LYS A 16 26.175 -63.651 11.062 1.00 0.00 C ATOM 255 CE LYS A 16 24.688 -63.323 10.933 1.00 0.00 C ATOM 256 NZ LYS A 16 23.926 -64.545 10.627 1.00 0.00 N ATOM 0 H LYS A 16 27.810 -62.749 14.148 1.00 0.00 H new ATOM 0 HA LYS A 16 28.418 -64.776 12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.923 -61.778 12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.869 -62.869 10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.538 -62.127 12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.781 -61.596 10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.571 -63.964 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.313 -64.486 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.323 -62.880 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 16 24.537 -62.584 10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.209 -64.335 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.573 -65.278 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.457 -64.887 11.490 1.00 0.00 H new ATOM 270 N ILE A 17 30.894 -64.945 12.138 1.00 0.00 N ATOM 271 CA ILE A 17 32.332 -65.179 12.317 1.00 0.00 C ATOM 272 C ILE A 17 33.134 -64.203 11.453 1.00 0.00 C ATOM 273 O ILE A 17 32.902 -64.054 10.253 1.00 0.00 O ATOM 274 CB ILE A 17 32.672 -66.633 11.950 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.890 -67.609 12.839 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.176 -66.890 12.103 1.00 0.00 C ATOM 277 CD1 ILE A 17 32.089 -69.063 12.409 1.00 0.00 C ATOM 0 H ILE A 17 30.427 -65.577 11.488 1.00 0.00 H new ATOM 0 HA ILE A 17 32.597 -65.011 13.361 1.00 0.00 H new ATOM 0 HB ILE A 17 32.389 -66.794 10.910 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.209 -67.491 13.875 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.829 -67.362 12.802 1.00 0.00 H new ATOM 0 HG21 ILE A 17 34.397 -67.924 11.839 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.728 -66.221 11.443 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.473 -66.708 13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.517 -69.718 13.066 1.00 0.00 H new ATOM 0 HD12 ILE A 17 31.745 -69.189 11.382 1.00 0.00 H new ATOM 0 HD13 ILE A 17 33.147 -69.319 12.472 1.00 0.00 H new ATOM 289 N CYS A 18 34.115 -63.562 12.070 1.00 0.00 N ATOM 290 CA CYS A 18 35.043 -62.727 11.302 1.00 0.00 C ATOM 291 C CYS A 18 36.173 -63.610 10.778 1.00 0.00 C ATOM 292 O CYS A 18 36.720 -64.443 11.502 1.00 0.00 O ATOM 293 CB CYS A 18 35.586 -61.642 12.232 1.00 0.00 C ATOM 294 SG CYS A 18 36.709 -60.545 11.347 1.00 0.00 S ATOM 0 H CYS A 18 34.292 -63.597 13.074 1.00 0.00 H new ATOM 0 HA CYS A 18 34.546 -62.256 10.454 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.759 -61.066 12.648 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.107 -62.103 13.071 1.00 0.00 H new ATOM 299 N LEU A 19 36.521 -63.449 9.510 1.00 0.00 N ATOM 300 CA LEU A 19 37.566 -64.302 8.934 1.00 0.00 C ATOM 301 C LEU A 19 38.533 -63.404 8.154 1.00 0.00 C ATOM 302 O LEU A 19 38.144 -62.804 7.151 1.00 0.00 O ATOM 303 CB LEU A 19 36.884 -65.349 8.041 1.00 0.00 C ATOM 304 CG LEU A 19 37.752 -66.566 7.689 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.999 -66.185 6.892 1.00 0.00 C ATOM 306 CD2 LEU A 19 38.145 -67.340 8.948 1.00 0.00 C ATOM 0 H LEU A 19 36.116 -62.763 8.874 1.00 0.00 H new ATOM 0 HA LEU A 19 38.139 -64.832 9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.981 -65.698 8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.570 -64.866 7.116 1.00 0.00 H new ATOM 0 HG LEU A 19 37.143 -67.208 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.577 -67.082 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.702 -65.704 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.609 -65.497 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.759 -68.197 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.710 -66.688 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.246 -67.687 9.457 1.00 0.00 H new ATOM 318 N PRO A 20 39.791 -63.264 8.578 1.00 0.00 N ATOM 319 CA PRO A 20 40.353 -64.020 9.703 1.00 0.00 C ATOM 320 C PRO A 20 39.856 -63.500 11.058 1.00 0.00 C ATOM 321 O PRO A 20 39.368 -62.375 11.167 1.00 0.00 O ATOM 322 CB PRO A 20 41.853 -63.774 9.515 1.00 0.00 C ATOM 323 CG PRO A 20 41.947 -62.433 8.789 1.00 0.00 C ATOM 324 CD PRO A 20 40.747 -62.436 7.847 1.00 0.00 C ATOM 0 HA PRO A 20 40.070 -65.073 9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 20 42.370 -63.741 10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 20 42.313 -64.571 8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.903 -61.597 9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.884 -62.341 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.365 -61.431 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.993 -62.860 6.873 1.00 0.00 H new ATOM 332 N PRO A 21 39.959 -64.306 12.114 1.00 0.00 N ATOM 333 CA PRO A 21 39.410 -63.940 13.422 1.00 0.00 C ATOM 334 C PRO A 21 40.251 -62.894 14.160 1.00 0.00 C ATOM 335 O PRO A 21 39.733 -62.131 14.976 1.00 0.00 O ATOM 336 CB PRO A 21 39.420 -65.288 14.146 1.00 0.00 C ATOM 337 CG PRO A 21 40.554 -66.079 13.492 1.00 0.00 C ATOM 338 CD PRO A 21 40.506 -65.659 12.024 1.00 0.00 C ATOM 0 HA PRO A 21 38.430 -63.468 13.357 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.592 -65.161 15.215 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.465 -65.802 14.036 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.517 -65.841 13.943 1.00 0.00 H new ATOM 0 HG3 PRO A 21 40.406 -67.153 13.604 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.494 -65.670 11.564 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.871 -66.318 11.432 1.00 0.00 H new ATOM 346 N SER A 22 41.546 -62.836 13.879 1.00 0.00 N ATOM 347 CA SER A 22 42.385 -61.802 14.497 1.00 0.00 C ATOM 348 C SER A 22 42.096 -60.403 13.939 1.00 0.00 C ATOM 349 O SER A 22 42.336 -59.398 14.609 1.00 0.00 O ATOM 350 CB SER A 22 43.853 -62.170 14.274 1.00 0.00 C ATOM 351 OG SER A 22 44.143 -62.221 12.882 1.00 0.00 O ATOM 0 H SER A 22 42.034 -63.470 13.246 1.00 0.00 H new ATOM 0 HA SER A 22 42.156 -61.765 15.562 1.00 0.00 H new ATOM 0 HB2 SER A 22 44.497 -61.437 14.760 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.067 -63.135 14.733 1.00 0.00 H new ATOM 0 HG SER A 22 45.086 -62.456 12.753 1.00 0.00 H new ATOM 357 N SER A 23 41.581 -60.318 12.719 1.00 0.00 N ATOM 358 CA SER A 23 41.258 -59.006 12.150 1.00 0.00 C ATOM 359 C SER A 23 39.801 -58.649 12.460 1.00 0.00 C ATOM 360 O SER A 23 38.933 -58.648 11.587 1.00 0.00 O ATOM 361 CB SER A 23 41.512 -59.067 10.643 1.00 0.00 C ATOM 362 OG SER A 23 42.870 -59.402 10.393 1.00 0.00 O ATOM 0 H SER A 23 41.381 -61.115 12.115 1.00 0.00 H new ATOM 0 HA SER A 23 41.884 -58.228 12.588 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.856 -59.807 10.185 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.276 -58.106 10.187 1.00 0.00 H new ATOM 0 HG SER A 23 43.025 -59.441 9.426 1.00 0.00 H new ATOM 368 N ASP A 24 39.531 -58.344 13.723 1.00 0.00 N ATOM 369 CA ASP A 24 38.154 -58.050 14.133 1.00 0.00 C ATOM 370 C ASP A 24 38.186 -56.932 15.175 1.00 0.00 C ATOM 371 O ASP A 24 38.781 -57.064 16.245 1.00 0.00 O ATOM 372 CB ASP A 24 37.536 -59.328 14.711 1.00 0.00 C ATOM 373 CG ASP A 24 36.073 -59.144 15.089 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.263 -58.791 14.205 1.00 0.00 O ATOM 375 OD2 ASP A 24 35.724 -59.355 16.271 1.00 0.00 O ATOM 0 H ASP A 24 40.225 -58.293 14.469 1.00 0.00 H new ATOM 0 HA ASP A 24 37.550 -57.721 13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 24 37.622 -60.133 13.981 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.100 -59.635 15.591 1.00 0.00 H new ATOM 380 N PHE A 25 37.541 -55.817 14.865 1.00 0.00 N ATOM 381 CA PHE A 25 37.486 -54.716 15.833 1.00 0.00 C ATOM 382 C PHE A 25 36.345 -54.955 16.826 1.00 0.00 C ATOM 383 O PHE A 25 35.585 -55.919 16.723 1.00 0.00 O ATOM 384 CB PHE A 25 37.275 -53.389 15.096 1.00 0.00 C ATOM 385 CG PHE A 25 38.410 -53.032 14.153 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.631 -52.723 14.643 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.188 -52.976 12.820 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.629 -52.372 13.803 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.185 -52.622 11.982 1.00 0.00 C ATOM 390 CZ PHE A 25 40.406 -52.323 12.473 1.00 0.00 C ATOM 0 H PHE A 25 37.060 -55.646 13.982 1.00 0.00 H new ATOM 0 HA PHE A 25 38.427 -54.671 16.381 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.345 -53.441 14.529 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.157 -52.591 15.829 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.809 -52.757 15.708 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.211 -53.215 12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.606 -52.131 14.196 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.006 -52.578 10.918 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.205 -52.044 11.801 1.00 0.00 H new ATOM 400 N GLY A 26 36.221 -54.075 17.810 1.00 0.00 N ATOM 401 CA GLY A 26 35.191 -54.279 18.833 1.00 0.00 C ATOM 402 C GLY A 26 33.896 -53.579 18.441 1.00 0.00 C ATOM 403 O GLY A 26 33.430 -53.672 17.305 1.00 0.00 O ATOM 0 H GLY A 26 36.795 -53.240 17.926 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.008 -55.346 18.964 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.542 -53.895 19.791 1.00 0.00 H new ATOM 407 N LYS A 27 33.310 -52.859 19.385 1.00 0.00 N ATOM 408 CA LYS A 27 32.108 -52.086 19.059 1.00 0.00 C ATOM 409 C LYS A 27 32.520 -50.834 18.285 1.00 0.00 C ATOM 410 O LYS A 27 33.266 -49.988 18.778 1.00 0.00 O ATOM 411 CB LYS A 27 31.339 -51.740 20.341 1.00 0.00 C ATOM 412 CG LYS A 27 32.131 -50.859 21.313 1.00 0.00 C ATOM 413 CD LYS A 27 31.367 -50.657 22.622 1.00 0.00 C ATOM 414 CE LYS A 27 32.172 -49.782 23.583 1.00 0.00 C ATOM 415 NZ LYS A 27 31.419 -49.584 24.833 1.00 0.00 N ATOM 0 H LYS A 27 33.628 -52.789 20.352 1.00 0.00 H new ATOM 0 HA LYS A 27 31.439 -52.674 18.432 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.414 -51.230 20.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.059 -52.664 20.847 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.097 -51.319 21.520 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.330 -49.892 20.852 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.402 -50.192 22.419 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.164 -51.623 23.084 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.132 -50.251 23.797 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.384 -48.818 23.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.075 -49.598 25.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.929 -48.667 24.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.720 -50.347 24.942 1.00 0.00 H new ATOM 429 N MET A 28 32.063 -50.728 17.047 1.00 0.00 N ATOM 430 CA MET A 28 32.505 -49.610 16.209 1.00 0.00 C ATOM 431 C MET A 28 31.289 -48.810 15.736 1.00 0.00 C ATOM 432 O MET A 28 30.689 -48.067 16.512 1.00 0.00 O ATOM 433 CB MET A 28 33.349 -50.156 15.053 1.00 0.00 C ATOM 434 CG MET A 28 34.684 -50.726 15.528 1.00 0.00 C ATOM 435 SD MET A 28 35.723 -51.059 14.099 1.00 0.00 S ATOM 436 CE MET A 28 36.198 -49.369 13.708 1.00 0.00 C ATOM 0 H MET A 28 31.409 -51.375 16.606 1.00 0.00 H new ATOM 0 HA MET A 28 33.133 -48.923 16.776 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.789 -50.933 14.533 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.533 -49.359 14.332 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.178 -50.020 16.196 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.521 -51.642 16.096 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.881 -49.370 12.859 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.309 -48.790 13.457 1.00 0.00 H new ATOM 0 HE3 MET A 28 36.692 -48.921 14.570 1.00 0.00 H new ATOM 446 N ASP A 29 30.919 -48.935 14.467 1.00 0.00 N ATOM 447 CA ASP A 29 29.815 -48.119 13.949 1.00 0.00 C ATOM 448 C ASP A 29 28.496 -48.898 14.009 1.00 0.00 C ATOM 449 O ASP A 29 27.751 -48.989 13.033 1.00 0.00 O ATOM 450 CB ASP A 29 30.177 -47.703 12.520 1.00 0.00 C ATOM 451 CG ASP A 29 29.304 -46.563 12.019 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.479 -45.421 12.496 1.00 0.00 O ATOM 453 OD2 ASP A 29 28.455 -46.794 11.132 1.00 0.00 O ATOM 0 H ASP A 29 31.347 -49.570 13.793 1.00 0.00 H new ATOM 0 HA ASP A 29 29.670 -47.227 14.558 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.224 -47.400 12.485 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.071 -48.560 11.855 1.00 0.00 H new ATOM 458 N CYS A 30 28.194 -49.462 15.170 1.00 0.00 N ATOM 459 CA CYS A 30 26.935 -50.198 15.318 1.00 0.00 C ATOM 460 C CYS A 30 26.554 -50.257 16.799 1.00 0.00 C ATOM 461 O CYS A 30 25.841 -49.379 17.285 1.00 0.00 O ATOM 462 CB CYS A 30 27.040 -51.572 14.644 1.00 0.00 C ATOM 463 SG CYS A 30 28.690 -52.262 14.841 1.00 0.00 S ATOM 0 H CYS A 30 28.780 -49.430 16.004 1.00 0.00 H new ATOM 0 HA CYS A 30 26.123 -49.681 14.807 1.00 0.00 H new ATOM 0 HB2 CYS A 30 26.304 -52.250 15.076 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.805 -51.480 13.584 1.00 0.00 H new ATOM 468 N ARG A 31 26.999 -51.265 17.542 1.00 0.00 N ATOM 469 CA ARG A 31 26.636 -51.311 18.965 1.00 0.00 C ATOM 470 C ARG A 31 27.594 -52.200 19.764 1.00 0.00 C ATOM 471 O ARG A 31 28.614 -52.679 19.270 1.00 0.00 O ATOM 472 CB ARG A 31 25.171 -51.750 19.115 1.00 0.00 C ATOM 473 CG ARG A 31 24.982 -53.251 18.883 1.00 0.00 C ATOM 474 CD ARG A 31 23.506 -53.634 18.777 1.00 0.00 C ATOM 475 NE ARG A 31 22.929 -53.100 17.537 1.00 0.00 N ATOM 476 CZ ARG A 31 21.683 -53.393 17.191 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.921 -54.153 17.956 1.00 0.00 N ATOM 478 NH2 ARG A 31 21.198 -52.918 16.061 1.00 0.00 N ATOM 0 H ARG A 31 27.585 -52.031 17.209 1.00 0.00 H new ATOM 0 HA ARG A 31 26.733 -50.309 19.384 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.819 -51.493 20.114 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.555 -51.196 18.407 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.499 -53.544 17.969 1.00 0.00 H new ATOM 0 HG3 ARG A 31 25.442 -53.805 19.701 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.402 -54.719 18.797 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.960 -53.246 19.637 1.00 0.00 H new ATOM 0 HE ARG A 31 23.492 -52.498 16.936 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.288 -54.526 18.831 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.965 -54.367 17.672 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.780 -52.332 15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.241 -53.137 15.785 1.00 0.00 H new ATOM 492 N TRP A 32 27.250 -52.400 21.029 1.00 0.00 N ATOM 493 CA TRP A 32 28.137 -53.104 21.961 1.00 0.00 C ATOM 494 C TRP A 32 28.571 -54.490 21.486 1.00 0.00 C ATOM 495 O TRP A 32 29.758 -54.770 21.323 1.00 0.00 O ATOM 496 CB TRP A 32 27.355 -53.216 23.272 1.00 0.00 C ATOM 497 CG TRP A 32 28.210 -53.700 24.425 1.00 0.00 C ATOM 498 CD1 TRP A 32 28.633 -55.009 24.671 1.00 0.00 C ATOM 499 CD2 TRP A 32 28.688 -52.952 25.467 1.00 0.00 C ATOM 500 NE1 TRP A 32 29.373 -55.078 25.860 1.00 0.00 N ATOM 501 CE2 TRP A 32 29.374 -53.769 26.318 1.00 0.00 C ATOM 502 CE3 TRP A 32 28.545 -51.639 25.708 1.00 0.00 C ATOM 503 CZ2 TRP A 32 29.933 -53.275 27.442 1.00 0.00 C ATOM 504 CZ3 TRP A 32 29.107 -51.140 26.838 1.00 0.00 C ATOM 505 CH2 TRP A 32 29.792 -51.949 27.694 1.00 0.00 C ATOM 0 H TRP A 32 26.369 -52.089 21.437 1.00 0.00 H new ATOM 0 HA TRP A 32 29.067 -52.545 22.061 1.00 0.00 H new ATOM 0 HB2 TRP A 32 26.933 -52.243 23.522 1.00 0.00 H new ATOM 0 HB3 TRP A 32 26.518 -53.901 23.133 1.00 0.00 H new ATOM 0 HD1 TRP A 32 28.419 -55.853 24.032 1.00 0.00 H new ATOM 0 HE1 TRP A 32 29.807 -55.896 26.287 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.001 -51.002 25.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 30.476 -53.916 28.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 29.010 -50.088 27.062 1.00 0.00 H new ATOM 0 HH2 TRP A 32 30.230 -51.528 28.587 1.00 0.00 H new ATOM 516 N ARG A 33 27.609 -55.382 21.320 1.00 0.00 N ATOM 517 CA ARG A 33 27.960 -56.786 21.076 1.00 0.00 C ATOM 518 C ARG A 33 28.266 -57.078 19.601 1.00 0.00 C ATOM 519 O ARG A 33 28.553 -58.219 19.240 1.00 0.00 O ATOM 520 CB ARG A 33 26.807 -57.672 21.566 1.00 0.00 C ATOM 521 CG ARG A 33 26.633 -57.604 23.087 1.00 0.00 C ATOM 522 CD ARG A 33 25.407 -58.396 23.539 1.00 0.00 C ATOM 523 NE ARG A 33 25.228 -58.271 24.992 1.00 0.00 N ATOM 524 CZ ARG A 33 25.627 -59.231 25.819 1.00 0.00 C ATOM 525 NH1 ARG A 33 26.215 -60.325 25.372 1.00 0.00 N ATOM 526 NH2 ARG A 33 25.432 -59.087 27.114 1.00 0.00 N ATOM 0 H ARG A 33 26.610 -55.178 21.347 1.00 0.00 H new ATOM 0 HA ARG A 33 28.875 -57.005 21.626 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.881 -57.362 21.082 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.992 -58.704 21.269 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.524 -57.998 23.576 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.532 -56.564 23.398 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.519 -58.031 23.023 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.523 -59.446 23.269 1.00 0.00 H new ATOM 0 HE ARG A 33 24.790 -57.432 25.372 1.00 0.00 H new ATOM 0 HH11 ARG A 33 26.372 -60.447 24.372 1.00 0.00 H new ATOM 0 HH12 ARG A 33 26.512 -61.048 26.027 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.979 -58.246 27.471 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.734 -59.817 27.759 1.00 0.00 H new ATOM 540 N TRP A 34 28.218 -56.073 18.734 1.00 0.00 N ATOM 541 CA TRP A 34 28.514 -56.317 17.318 1.00 0.00 C ATOM 542 C TRP A 34 29.974 -55.952 17.040 1.00 0.00 C ATOM 543 O TRP A 34 30.558 -55.084 17.689 1.00 0.00 O ATOM 544 CB TRP A 34 27.581 -55.474 16.440 1.00 0.00 C ATOM 545 CG TRP A 34 26.127 -55.917 16.469 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.488 -56.753 17.398 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.173 -55.613 15.529 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.149 -56.960 17.042 1.00 0.00 N ATOM 549 CE2 TRP A 34 24.005 -56.232 15.872 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.276 -54.874 14.407 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.911 -56.118 15.093 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.173 -54.755 13.627 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.005 -55.369 13.965 1.00 0.00 C ATOM 0 H TRP A 34 27.985 -55.109 18.971 1.00 0.00 H new ATOM 0 HA TRP A 34 28.355 -57.370 17.085 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.639 -54.434 16.762 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.939 -55.509 15.411 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.964 -57.179 18.269 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.446 -57.516 17.529 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.205 -54.393 14.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.986 -56.609 15.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.221 -54.164 12.724 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.141 -55.258 13.326 1.00 0.00 H new ATOM 564 N LYS A 35 30.576 -56.634 16.076 1.00 0.00 N ATOM 565 CA LYS A 35 32.009 -56.438 15.820 1.00 0.00 C ATOM 566 C LYS A 35 32.220 -55.930 14.394 1.00 0.00 C ATOM 567 O LYS A 35 31.371 -56.123 13.525 1.00 0.00 O ATOM 568 CB LYS A 35 32.733 -57.782 15.964 1.00 0.00 C ATOM 569 CG LYS A 35 32.446 -58.496 17.287 1.00 0.00 C ATOM 570 CD LYS A 35 32.940 -57.689 18.485 1.00 0.00 C ATOM 571 CE LYS A 35 32.574 -58.406 19.782 1.00 0.00 C ATOM 572 NZ LYS A 35 33.057 -57.619 20.928 1.00 0.00 N ATOM 0 H LYS A 35 30.116 -57.312 15.469 1.00 0.00 H new ATOM 0 HA LYS A 35 32.401 -55.712 16.532 1.00 0.00 H new ATOM 0 HB2 LYS A 35 32.441 -58.432 15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.807 -57.618 15.875 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.374 -58.668 17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.927 -59.474 17.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.020 -57.557 18.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 32.496 -56.694 18.472 1.00 0.00 H new ATOM 0 HE2 LYS A 35 31.494 -58.537 19.846 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.017 -59.402 19.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.809 -58.106 21.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 34.090 -57.516 20.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 32.614 -56.678 20.914 1.00 0.00 H new ATOM 586 N CYS A 36 33.365 -55.312 14.122 1.00 0.00 N ATOM 587 CA CYS A 36 33.647 -54.906 12.741 1.00 0.00 C ATOM 588 C CYS A 36 34.786 -55.742 12.167 1.00 0.00 C ATOM 589 O CYS A 36 35.923 -55.700 12.636 1.00 0.00 O ATOM 590 CB CYS A 36 33.988 -53.421 12.688 1.00 0.00 C ATOM 591 SG CYS A 36 33.832 -52.855 10.987 1.00 0.00 S ATOM 0 H CYS A 36 34.089 -55.086 14.804 1.00 0.00 H new ATOM 0 HA CYS A 36 32.757 -55.076 12.135 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.319 -52.856 13.337 1.00 0.00 H new ATOM 0 HB3 CYS A 36 35.002 -53.253 13.051 1.00 0.00 H new ATOM 596 N CYS A 37 34.476 -56.516 11.140 1.00 0.00 N ATOM 597 CA CYS A 37 35.482 -57.426 10.589 1.00 0.00 C ATOM 598 C CYS A 37 36.353 -56.695 9.571 1.00 0.00 C ATOM 599 O CYS A 37 35.866 -56.077 8.624 1.00 0.00 O ATOM 600 CB CYS A 37 34.749 -58.597 9.939 1.00 0.00 C ATOM 601 SG CYS A 37 35.878 -59.963 9.623 1.00 0.00 S ATOM 0 H CYS A 37 33.567 -56.539 10.678 1.00 0.00 H new ATOM 0 HA CYS A 37 36.139 -57.793 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.940 -58.931 10.589 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.293 -58.272 9.004 1.00 0.00 H new ATOM 606 N LYS A 38 37.660 -56.767 9.771 1.00 0.00 N ATOM 607 CA LYS A 38 38.578 -56.124 8.827 1.00 0.00 C ATOM 608 C LYS A 38 38.982 -57.136 7.758 1.00 0.00 C ATOM 609 O LYS A 38 39.512 -58.210 8.046 1.00 0.00 O ATOM 610 CB LYS A 38 39.794 -55.591 9.589 1.00 0.00 C ATOM 611 CG LYS A 38 40.800 -54.919 8.651 1.00 0.00 C ATOM 612 CD LYS A 38 41.984 -54.355 9.437 1.00 0.00 C ATOM 613 CE LYS A 38 42.980 -53.671 8.502 1.00 0.00 C ATOM 614 NZ LYS A 38 44.074 -53.081 9.291 1.00 0.00 N ATOM 0 H LYS A 38 38.105 -57.248 10.553 1.00 0.00 H new ATOM 0 HA LYS A 38 38.094 -55.281 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.466 -54.876 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 38 40.281 -56.411 10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.157 -55.641 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.310 -54.117 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 38 41.627 -53.642 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 38 42.481 -55.158 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 38 43.380 -54.393 7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.477 -52.897 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 44.751 -52.616 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.685 -52.380 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 44.560 -53.830 9.825 1.00 0.00 H new