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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.41) 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+ -171:sc= 0 (180deg=-0.0924) USER MOD Single : A 10 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -52:sc= 0.772 USER MOD Single : A 23 SER OG : rot 54:sc= 0.287 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.127) USER MOD Single : A 28 MET CE :methyl 174:sc= -2.46 (180deg=-2.72!) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 1.31 (180deg=0.997) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00862) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 31.324 -42.731 10.207 1.00 0.00 N ATOM 25 CA LYS A 2 32.687 -42.212 10.043 1.00 0.00 C ATOM 26 C LYS A 2 33.747 -43.244 10.448 1.00 0.00 C ATOM 27 O LYS A 2 34.813 -43.321 9.836 1.00 0.00 O ATOM 28 CB LYS A 2 32.811 -40.933 10.879 1.00 0.00 C ATOM 29 CG LYS A 2 34.039 -40.095 10.510 1.00 0.00 C ATOM 30 CD LYS A 2 33.857 -39.375 9.170 1.00 0.00 C ATOM 31 CE LYS A 2 34.984 -38.366 8.945 1.00 0.00 C ATOM 32 NZ LYS A 2 34.728 -37.580 7.726 1.00 0.00 N ATOM 0 HA LYS A 2 32.866 -41.992 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.913 -40.330 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 2 32.863 -41.199 11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 2 34.227 -39.361 11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 2 34.917 -40.739 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 2 33.845 -40.103 8.358 1.00 0.00 H new ATOM 0 HD3 LYS A 2 32.895 -38.863 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 2 35.064 -37.701 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 2 35.937 -38.888 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 35.500 -36.898 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 34.674 -38.218 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 33.828 -37.068 7.826 1.00 0.00 H new ATOM 46 N GLN A 3 33.486 -44.022 11.492 1.00 0.00 N ATOM 47 CA GLN A 3 34.530 -44.906 12.022 1.00 0.00 C ATOM 48 C GLN A 3 34.721 -46.164 11.166 1.00 0.00 C ATOM 49 O GLN A 3 35.806 -46.394 10.633 1.00 0.00 O ATOM 50 CB GLN A 3 34.167 -45.245 13.472 1.00 0.00 C ATOM 51 CG GLN A 3 35.317 -45.901 14.242 1.00 0.00 C ATOM 52 CD GLN A 3 36.532 -44.993 14.381 1.00 0.00 C ATOM 53 OE1 GLN A 3 37.428 -44.975 13.540 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.581 -44.236 15.461 1.00 0.00 N ATOM 0 H GLN A 3 32.591 -44.064 11.979 1.00 0.00 H new ATOM 0 HA GLN A 3 35.492 -44.394 11.991 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.866 -44.333 13.988 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.306 -45.913 13.478 1.00 0.00 H new ATOM 0 HG2 GLN A 3 34.967 -46.186 15.234 1.00 0.00 H new ATOM 0 HG3 GLN A 3 35.612 -46.818 13.733 1.00 0.00 H new ATOM 0 HE21 GLN A 3 35.823 -44.271 16.143 1.00 0.00 H new ATOM 0 HE22 GLN A 3 37.377 -43.616 15.614 1.00 0.00 H new ATOM 63 N CYS A 4 33.696 -47.002 11.033 1.00 0.00 N ATOM 64 CA CYS A 4 33.893 -48.267 10.309 1.00 0.00 C ATOM 65 C CYS A 4 33.887 -48.103 8.783 1.00 0.00 C ATOM 66 O CYS A 4 34.580 -48.834 8.078 1.00 0.00 O ATOM 67 CB CYS A 4 32.851 -49.306 10.732 1.00 0.00 C ATOM 68 SG CYS A 4 33.042 -49.695 12.482 1.00 0.00 S ATOM 0 H CYS A 4 32.756 -46.845 11.397 1.00 0.00 H new ATOM 0 HA CYS A 4 34.888 -48.618 10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 4 31.848 -48.924 10.543 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.965 -50.211 10.135 1.00 0.00 H new ATOM 73 N HIS A 5 33.097 -47.179 8.248 1.00 0.00 N ATOM 74 CA HIS A 5 32.957 -47.097 6.786 1.00 0.00 C ATOM 75 C HIS A 5 34.208 -46.537 6.098 1.00 0.00 C ATOM 76 O HIS A 5 34.615 -47.030 5.046 1.00 0.00 O ATOM 77 CB HIS A 5 31.731 -46.239 6.460 1.00 0.00 C ATOM 78 CG HIS A 5 31.362 -46.287 4.995 1.00 0.00 C ATOM 79 ND1 HIS A 5 31.688 -45.306 4.074 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.583 -47.286 4.393 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.060 -45.807 2.964 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.379 -46.994 3.054 1.00 0.00 N ATOM 0 H HIS A 5 32.557 -46.494 8.777 1.00 0.00 H new ATOM 0 HA HIS A 5 32.829 -48.108 6.400 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.884 -46.580 7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.928 -45.206 6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.197 -48.158 4.900 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.101 -45.272 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 5 29.868 -47.513 2.340 1.00 0.00 H new ATOM 91 N LYS A 6 34.826 -45.508 6.668 1.00 0.00 N ATOM 92 CA LYS A 6 36.047 -44.961 6.057 1.00 0.00 C ATOM 93 C LYS A 6 37.198 -45.974 6.094 1.00 0.00 C ATOM 94 O LYS A 6 38.002 -46.037 5.164 1.00 0.00 O ATOM 95 CB LYS A 6 36.416 -43.653 6.770 1.00 0.00 C ATOM 96 CG LYS A 6 37.705 -43.010 6.239 1.00 0.00 C ATOM 97 CD LYS A 6 37.622 -42.591 4.767 1.00 0.00 C ATOM 98 CE LYS A 6 36.614 -41.462 4.547 1.00 0.00 C ATOM 99 NZ LYS A 6 36.602 -41.074 3.126 1.00 0.00 N ATOM 0 H LYS A 6 34.520 -45.044 7.523 1.00 0.00 H new ATOM 0 HA LYS A 6 35.860 -44.751 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.595 -42.945 6.662 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.529 -43.849 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.940 -42.135 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 6 38.529 -43.713 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 6 38.606 -42.270 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.340 -43.452 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.619 -41.785 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 36.875 -40.603 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 35.915 -40.306 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 37.549 -40.748 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 36.333 -41.893 2.545 1.00 0.00 H new ATOM 113 N LYS A 7 37.285 -46.788 7.140 1.00 0.00 N ATOM 114 CA LYS A 7 38.291 -47.857 7.137 1.00 0.00 C ATOM 115 C LYS A 7 37.866 -48.989 6.198 1.00 0.00 C ATOM 116 O LYS A 7 38.652 -49.449 5.371 1.00 0.00 O ATOM 117 CB LYS A 7 38.519 -48.378 8.558 1.00 0.00 C ATOM 118 CG LYS A 7 39.086 -47.290 9.472 1.00 0.00 C ATOM 119 CD LYS A 7 39.566 -47.890 10.795 1.00 0.00 C ATOM 120 CE LYS A 7 40.055 -46.815 11.768 1.00 0.00 C ATOM 121 NZ LYS A 7 41.252 -46.138 11.238 1.00 0.00 N ATOM 0 H LYS A 7 36.699 -46.738 7.973 1.00 0.00 H new ATOM 0 HA LYS A 7 39.233 -47.450 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.577 -48.744 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.205 -49.225 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.914 -46.785 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.323 -46.536 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.753 -48.452 11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.372 -48.597 10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.264 -46.085 11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.284 -47.268 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.657 -45.523 11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 41.956 -46.849 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 40.989 -45.564 10.412 1.00 0.00 H new ATOM 135 N GLY A 8 36.621 -49.436 6.306 1.00 0.00 N ATOM 136 CA GLY A 8 36.125 -50.457 5.380 1.00 0.00 C ATOM 137 C GLY A 8 35.554 -51.649 6.137 1.00 0.00 C ATOM 138 O GLY A 8 36.115 -52.744 6.118 1.00 0.00 O ATOM 0 H GLY A 8 35.948 -49.121 7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.356 -50.028 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 8 36.935 -50.788 4.730 1.00 0.00 H new ATOM 142 N GLY A 9 34.426 -51.448 6.803 1.00 0.00 N ATOM 143 CA GLY A 9 33.851 -52.543 7.588 1.00 0.00 C ATOM 144 C GLY A 9 32.366 -52.327 7.861 1.00 0.00 C ATOM 145 O GLY A 9 31.749 -51.358 7.419 1.00 0.00 O ATOM 0 H GLY A 9 33.903 -50.573 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 9 33.989 -53.484 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.385 -52.631 8.534 1.00 0.00 H new ATOM 149 N HIS A 10 31.786 -53.260 8.602 1.00 0.00 N ATOM 150 CA HIS A 10 30.359 -53.156 8.928 1.00 0.00 C ATOM 151 C HIS A 10 30.097 -53.939 10.216 1.00 0.00 C ATOM 152 O HIS A 10 30.865 -54.820 10.603 1.00 0.00 O ATOM 153 CB HIS A 10 29.544 -53.706 7.752 1.00 0.00 C ATOM 154 CG HIS A 10 28.050 -53.544 7.948 1.00 0.00 C ATOM 155 ND1 HIS A 10 27.365 -52.355 7.761 1.00 0.00 N ATOM 156 CD2 HIS A 10 27.164 -54.564 8.333 1.00 0.00 C ATOM 157 CE1 HIS A 10 26.092 -52.767 8.057 1.00 0.00 C ATOM 158 NE2 HIS A 10 25.871 -54.073 8.410 1.00 0.00 N ATOM 0 H HIS A 10 32.260 -54.079 8.983 1.00 0.00 H new ATOM 0 HA HIS A 10 30.062 -52.120 9.090 1.00 0.00 H new ATOM 0 HB2 HIS A 10 29.844 -53.195 6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 10 29.776 -54.762 7.617 1.00 0.00 H new ATOM 0 HD2 HIS A 10 27.450 -55.585 8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 10 25.270 -52.068 8.013 1.00 0.00 H new ATOM 0 HE2 HIS A 10 25.003 -54.547 8.658 1.00 0.00 H new ATOM 167 N CYS A 11 29.003 -53.621 10.893 1.00 0.00 N ATOM 168 CA CYS A 11 28.733 -54.273 12.178 1.00 0.00 C ATOM 169 C CYS A 11 28.161 -55.678 11.980 1.00 0.00 C ATOM 170 O CYS A 11 27.096 -55.865 11.390 1.00 0.00 O ATOM 171 CB CYS A 11 27.743 -53.417 12.967 1.00 0.00 C ATOM 172 SG CYS A 11 28.487 -51.829 13.375 1.00 0.00 S ATOM 0 H CYS A 11 28.306 -52.940 10.593 1.00 0.00 H new ATOM 0 HA CYS A 11 29.670 -54.370 12.726 1.00 0.00 H new ATOM 0 HB2 CYS A 11 26.836 -53.263 12.382 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.449 -53.935 13.880 1.00 0.00 H new ATOM 177 N PHE A 12 28.868 -56.672 12.505 1.00 0.00 N ATOM 178 CA PHE A 12 28.351 -58.047 12.481 1.00 0.00 C ATOM 179 C PHE A 12 28.216 -58.557 13.923 1.00 0.00 C ATOM 180 O PHE A 12 28.960 -58.127 14.805 1.00 0.00 O ATOM 181 CB PHE A 12 29.317 -58.966 11.726 1.00 0.00 C ATOM 182 CG PHE A 12 29.383 -58.665 10.242 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.437 -59.151 9.407 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.412 -57.945 9.745 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.522 -58.916 8.080 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.498 -57.712 8.418 1.00 0.00 C ATOM 187 CZ PHE A 12 29.552 -58.197 7.586 1.00 0.00 C ATOM 0 H PHE A 12 29.782 -56.563 12.945 1.00 0.00 H new ATOM 0 HA PHE A 12 27.383 -58.051 11.980 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.314 -58.868 12.156 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.010 -60.002 11.868 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.613 -59.727 9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.168 -57.555 10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 12 27.766 -59.303 7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.323 -57.138 8.022 1.00 0.00 H new ATOM 0 HZ PHE A 12 29.619 -58.010 6.525 1.00 0.00 H new ATOM 197 N PRO A 13 27.302 -59.486 14.211 1.00 0.00 N ATOM 198 CA PRO A 13 27.080 -59.937 15.588 1.00 0.00 C ATOM 199 C PRO A 13 28.246 -60.755 16.145 1.00 0.00 C ATOM 200 O PRO A 13 28.986 -61.411 15.411 1.00 0.00 O ATOM 201 CB PRO A 13 25.822 -60.799 15.451 1.00 0.00 C ATOM 202 CG PRO A 13 25.136 -60.305 14.179 1.00 0.00 C ATOM 203 CD PRO A 13 26.288 -59.926 13.253 1.00 0.00 C ATOM 0 HA PRO A 13 26.983 -59.106 16.287 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.075 -61.857 15.377 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.171 -60.687 16.318 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.510 -61.080 13.738 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.490 -59.450 14.381 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.628 -60.771 12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.011 -59.134 12.557 1.00 0.00 H new ATOM 211 N LYS A 14 28.403 -60.736 17.461 1.00 0.00 N ATOM 212 CA LYS A 14 29.509 -61.483 18.077 1.00 0.00 C ATOM 213 C LYS A 14 29.338 -63.007 17.978 1.00 0.00 C ATOM 214 O LYS A 14 30.317 -63.752 18.015 1.00 0.00 O ATOM 215 CB LYS A 14 29.655 -61.052 19.541 1.00 0.00 C ATOM 216 CG LYS A 14 28.466 -61.480 20.408 1.00 0.00 C ATOM 217 CD LYS A 14 28.697 -61.092 21.867 1.00 0.00 C ATOM 218 CE LYS A 14 27.552 -61.602 22.742 1.00 0.00 C ATOM 219 NZ LYS A 14 27.758 -61.175 24.136 1.00 0.00 N ATOM 0 H LYS A 14 27.803 -60.230 18.113 1.00 0.00 H new ATOM 0 HA LYS A 14 30.416 -61.244 17.521 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.570 -61.479 19.951 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.761 -59.968 19.587 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.554 -61.010 20.041 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.322 -62.558 20.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.642 -61.508 22.215 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.775 -60.008 21.954 1.00 0.00 H new ATOM 0 HE2 LYS A 14 26.601 -61.219 22.372 1.00 0.00 H new ATOM 0 HE3 LYS A 14 27.499 -62.689 22.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.976 -61.525 24.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 28.657 -61.561 24.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 27.787 -60.136 24.180 1.00 0.00 H new ATOM 233 N GLU A 15 28.103 -63.484 17.864 1.00 0.00 N ATOM 234 CA GLU A 15 27.871 -64.934 17.771 1.00 0.00 C ATOM 235 C GLU A 15 28.399 -65.540 16.466 1.00 0.00 C ATOM 236 O GLU A 15 28.719 -66.727 16.398 1.00 0.00 O ATOM 237 CB GLU A 15 26.366 -65.197 17.913 1.00 0.00 C ATOM 238 CG GLU A 15 25.544 -64.679 16.726 1.00 0.00 C ATOM 239 CD GLU A 15 24.052 -64.717 17.014 1.00 0.00 C ATOM 240 OE1 GLU A 15 23.574 -63.888 17.818 1.00 0.00 O ATOM 241 OE2 GLU A 15 23.348 -65.569 16.429 1.00 0.00 O ATOM 0 H GLU A 15 27.261 -62.910 17.834 1.00 0.00 H new ATOM 0 HA GLU A 15 28.425 -65.418 18.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.200 -66.269 18.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.007 -64.726 18.828 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.844 -63.657 16.495 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.760 -65.282 15.844 1.00 0.00 H new ATOM 248 N LYS A 16 28.475 -64.733 15.419 1.00 0.00 N ATOM 249 CA LYS A 16 28.920 -65.247 14.123 1.00 0.00 C ATOM 250 C LYS A 16 30.432 -65.076 13.996 1.00 0.00 C ATOM 251 O LYS A 16 31.001 -64.047 14.363 1.00 0.00 O ATOM 252 CB LYS A 16 28.198 -64.476 13.016 1.00 0.00 C ATOM 253 CG LYS A 16 26.679 -64.686 13.055 1.00 0.00 C ATOM 254 CD LYS A 16 26.252 -66.128 12.764 1.00 0.00 C ATOM 255 CE LYS A 16 26.740 -66.605 11.395 1.00 0.00 C ATOM 256 NZ LYS A 16 26.228 -67.959 11.126 1.00 0.00 N ATOM 0 H LYS A 16 28.241 -63.740 15.433 1.00 0.00 H new ATOM 0 HA LYS A 16 28.685 -66.308 14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.418 -63.413 13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.581 -64.793 12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.306 -64.397 14.037 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.210 -64.023 12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.646 -66.786 13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.165 -66.200 12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.402 -65.918 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.830 -66.606 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.563 -68.278 10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.571 -68.612 11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.188 -67.945 11.134 1.00 0.00 H new ATOM 270 N ILE A 17 31.095 -66.099 13.480 1.00 0.00 N ATOM 271 CA ILE A 17 32.562 -66.062 13.431 1.00 0.00 C ATOM 272 C ILE A 17 33.019 -65.342 12.163 1.00 0.00 C ATOM 273 O ILE A 17 32.665 -65.716 11.045 1.00 0.00 O ATOM 274 CB ILE A 17 33.122 -67.491 13.479 1.00 0.00 C ATOM 275 CG1 ILE A 17 32.653 -68.202 14.755 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.655 -67.460 13.422 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.094 -69.665 14.793 1.00 0.00 C ATOM 0 H ILE A 17 30.666 -66.942 13.099 1.00 0.00 H new ATOM 0 HA ILE A 17 32.940 -65.515 14.295 1.00 0.00 H new ATOM 0 HB ILE A 17 32.750 -68.042 12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 17 33.050 -67.681 15.626 1.00 0.00 H new ATOM 0 HG13 ILE A 17 31.566 -68.150 14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.041 -68.479 13.457 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.975 -66.982 12.496 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.039 -66.897 14.273 1.00 0.00 H new ATOM 0 HD11 ILE A 17 32.740 -70.128 15.714 1.00 0.00 H new ATOM 0 HD12 ILE A 17 32.675 -70.194 13.937 1.00 0.00 H new ATOM 0 HD13 ILE A 17 34.182 -69.718 14.755 1.00 0.00 H new ATOM 289 N CYS A 18 33.836 -64.313 12.338 1.00 0.00 N ATOM 290 CA CYS A 18 34.405 -63.627 11.174 1.00 0.00 C ATOM 291 C CYS A 18 35.772 -64.236 10.861 1.00 0.00 C ATOM 292 O CYS A 18 36.555 -64.553 11.758 1.00 0.00 O ATOM 293 CB CYS A 18 34.518 -62.133 11.481 1.00 0.00 C ATOM 294 SG CYS A 18 34.817 -61.225 9.954 1.00 0.00 S ATOM 0 H CYS A 18 34.117 -63.939 13.244 1.00 0.00 H new ATOM 0 HA CYS A 18 33.764 -63.749 10.301 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.602 -61.778 11.954 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.330 -61.956 12.186 1.00 0.00 H new ATOM 299 N LEU A 19 36.052 -64.436 9.582 1.00 0.00 N ATOM 300 CA LEU A 19 37.260 -65.180 9.204 1.00 0.00 C ATOM 301 C LEU A 19 38.068 -64.300 8.241 1.00 0.00 C ATOM 302 O LEU A 19 37.544 -63.878 7.210 1.00 0.00 O ATOM 303 CB LEU A 19 36.761 -66.481 8.555 1.00 0.00 C ATOM 304 CG LEU A 19 37.799 -67.599 8.378 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.955 -67.190 7.466 1.00 0.00 C ATOM 306 CD2 LEU A 19 38.314 -68.083 9.734 1.00 0.00 C ATOM 0 H LEU A 19 35.482 -64.107 8.803 1.00 0.00 H new ATOM 0 HA LEU A 19 37.915 -65.427 10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.940 -66.870 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.350 -66.238 7.575 1.00 0.00 H new ATOM 0 HG LEU A 19 37.290 -68.427 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.658 -68.018 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.568 -66.935 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.465 -66.325 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.048 -68.875 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.780 -67.252 10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.482 -68.468 10.323 1.00 0.00 H new ATOM 318 N PRO A 20 39.330 -63.976 8.528 1.00 0.00 N ATOM 319 CA PRO A 20 40.074 -64.548 9.655 1.00 0.00 C ATOM 320 C PRO A 20 39.743 -63.865 10.985 1.00 0.00 C ATOM 321 O PRO A 20 39.147 -62.788 11.020 1.00 0.00 O ATOM 322 CB PRO A 20 41.522 -64.265 9.241 1.00 0.00 C ATOM 323 CG PRO A 20 41.443 -63.016 8.364 1.00 0.00 C ATOM 324 CD PRO A 20 40.132 -63.183 7.599 1.00 0.00 C ATOM 0 HA PRO A 20 39.846 -65.599 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 20 42.156 -64.097 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.948 -65.106 8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.441 -62.106 8.964 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.294 -62.949 7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.666 -62.223 7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.278 -63.695 6.648 1.00 0.00 H new ATOM 332 N PRO A 21 40.131 -64.474 12.103 1.00 0.00 N ATOM 333 CA PRO A 21 39.824 -63.925 13.425 1.00 0.00 C ATOM 334 C PRO A 21 40.747 -62.770 13.839 1.00 0.00 C ATOM 335 O PRO A 21 40.479 -62.077 14.819 1.00 0.00 O ATOM 336 CB PRO A 21 40.050 -65.152 14.311 1.00 0.00 C ATOM 337 CG PRO A 21 41.114 -65.970 13.579 1.00 0.00 C ATOM 338 CD PRO A 21 40.777 -65.786 12.103 1.00 0.00 C ATOM 0 HA PRO A 21 38.829 -63.484 13.481 1.00 0.00 H new ATOM 0 HB2 PRO A 21 40.387 -64.864 15.307 1.00 0.00 H new ATOM 0 HB3 PRO A 21 39.130 -65.723 14.439 1.00 0.00 H new ATOM 0 HG2 PRO A 21 42.118 -65.612 13.806 1.00 0.00 H new ATOM 0 HG3 PRO A 21 41.078 -67.020 13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.668 -65.803 11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 21 40.113 -66.568 11.735 1.00 0.00 H new ATOM 346 N SER A 22 41.843 -62.558 13.119 1.00 0.00 N ATOM 347 CA SER A 22 42.773 -61.487 13.498 1.00 0.00 C ATOM 348 C SER A 22 42.614 -60.259 12.595 1.00 0.00 C ATOM 349 O SER A 22 43.595 -59.665 12.143 1.00 0.00 O ATOM 350 CB SER A 22 44.194 -62.051 13.410 1.00 0.00 C ATOM 351 OG SER A 22 45.138 -61.062 13.797 1.00 0.00 O ATOM 0 H SER A 22 42.110 -63.093 12.292 1.00 0.00 H new ATOM 0 HA SER A 22 42.559 -61.154 14.514 1.00 0.00 H new ATOM 0 HB2 SER A 22 44.287 -62.925 14.054 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.400 -62.382 12.392 1.00 0.00 H new ATOM 0 HG SER A 22 44.977 -60.240 13.289 1.00 0.00 H new ATOM 357 N SER A 23 41.377 -59.851 12.341 1.00 0.00 N ATOM 358 CA SER A 23 41.156 -58.654 11.522 1.00 0.00 C ATOM 359 C SER A 23 39.744 -58.120 11.768 1.00 0.00 C ATOM 360 O SER A 23 38.897 -58.085 10.874 1.00 0.00 O ATOM 361 CB SER A 23 41.366 -58.989 10.043 1.00 0.00 C ATOM 362 OG SER A 23 40.426 -59.966 9.616 1.00 0.00 O ATOM 0 H SER A 23 40.531 -60.311 12.676 1.00 0.00 H new ATOM 0 HA SER A 23 41.872 -57.881 11.800 1.00 0.00 H new ATOM 0 HB2 SER A 23 41.260 -58.086 9.441 1.00 0.00 H new ATOM 0 HB3 SER A 23 42.380 -59.359 9.888 1.00 0.00 H new ATOM 0 HG SER A 23 39.519 -59.664 9.832 1.00 0.00 H new ATOM 368 N ASP A 24 39.485 -57.696 12.996 1.00 0.00 N ATOM 369 CA ASP A 24 38.151 -57.191 13.330 1.00 0.00 C ATOM 370 C ASP A 24 38.266 -56.203 14.488 1.00 0.00 C ATOM 371 O ASP A 24 38.975 -56.424 15.470 1.00 0.00 O ATOM 372 CB ASP A 24 37.200 -58.350 13.660 1.00 0.00 C ATOM 373 CG ASP A 24 37.676 -59.215 14.820 1.00 0.00 C ATOM 374 OD1 ASP A 24 38.551 -60.079 14.605 1.00 0.00 O ATOM 375 OD2 ASP A 24 37.167 -59.044 15.949 1.00 0.00 O ATOM 0 H ASP A 24 40.157 -57.688 13.763 1.00 0.00 H new ATOM 0 HA ASP A 24 37.729 -56.670 12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.216 -57.946 13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.082 -58.976 12.775 1.00 0.00 H new ATOM 380 N PHE A 25 37.567 -55.086 14.362 1.00 0.00 N ATOM 381 CA PHE A 25 37.599 -54.077 15.424 1.00 0.00 C ATOM 382 C PHE A 25 36.448 -54.329 16.399 1.00 0.00 C ATOM 383 O PHE A 25 35.542 -55.123 16.142 1.00 0.00 O ATOM 384 CB PHE A 25 37.467 -52.687 14.799 1.00 0.00 C ATOM 385 CG PHE A 25 38.575 -52.367 13.812 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.819 -52.073 14.254 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.313 -52.350 12.485 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.800 -51.784 13.371 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.292 -52.053 11.605 1.00 0.00 C ATOM 390 CZ PHE A 25 40.537 -51.777 12.047 1.00 0.00 C ATOM 0 H PHE A 25 36.983 -54.853 13.559 1.00 0.00 H new ATOM 0 HA PHE A 25 38.542 -54.138 15.967 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.505 -52.614 14.292 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.467 -51.938 15.591 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.028 -52.069 15.314 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.318 -52.575 12.129 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.795 -51.558 13.725 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.079 -52.036 10.546 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.323 -51.551 11.341 1.00 0.00 H new ATOM 400 N GLY A 26 36.482 -53.654 17.539 1.00 0.00 N ATOM 401 CA GLY A 26 35.475 -53.925 18.569 1.00 0.00 C ATOM 402 C GLY A 26 34.301 -52.964 18.451 1.00 0.00 C ATOM 403 O GLY A 26 33.574 -52.961 17.457 1.00 0.00 O ATOM 0 H GLY A 26 37.168 -52.937 17.775 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.120 -54.951 18.474 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.926 -53.833 19.557 1.00 0.00 H new ATOM 407 N LYS A 27 34.105 -52.140 19.470 1.00 0.00 N ATOM 408 CA LYS A 27 32.983 -51.196 19.424 1.00 0.00 C ATOM 409 C LYS A 27 33.415 -49.922 18.695 1.00 0.00 C ATOM 410 O LYS A 27 33.708 -48.890 19.299 1.00 0.00 O ATOM 411 CB LYS A 27 32.492 -50.875 20.839 1.00 0.00 C ATOM 412 CG LYS A 27 32.019 -52.122 21.592 1.00 0.00 C ATOM 413 CD LYS A 27 31.431 -51.728 22.950 1.00 0.00 C ATOM 414 CE LYS A 27 31.005 -52.945 23.774 1.00 0.00 C ATOM 415 NZ LYS A 27 32.181 -53.733 24.182 1.00 0.00 N ATOM 0 H LYS A 27 34.680 -52.099 20.311 1.00 0.00 H new ATOM 0 HA LYS A 27 32.156 -51.650 18.879 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.296 -50.399 21.400 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.674 -50.157 20.782 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.269 -52.650 21.002 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.854 -52.808 21.734 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.169 -51.153 23.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.570 -51.077 22.796 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.455 -52.619 24.657 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.328 -53.568 23.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.896 -54.441 24.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.582 -54.214 23.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.896 -53.101 24.595 1.00 0.00 H new ATOM 429 N MET A 28 33.439 -49.999 17.372 1.00 0.00 N ATOM 430 CA MET A 28 33.757 -48.815 16.566 1.00 0.00 C ATOM 431 C MET A 28 32.506 -47.934 16.496 1.00 0.00 C ATOM 432 O MET A 28 32.320 -47.028 17.308 1.00 0.00 O ATOM 433 CB MET A 28 34.197 -49.295 15.178 1.00 0.00 C ATOM 434 CG MET A 28 35.585 -49.929 15.183 1.00 0.00 C ATOM 435 SD MET A 28 35.953 -50.578 13.543 1.00 0.00 S ATOM 436 CE MET A 28 36.424 -49.070 12.688 1.00 0.00 C ATOM 0 H MET A 28 33.248 -50.846 16.837 1.00 0.00 H new ATOM 0 HA MET A 28 34.564 -48.226 17.000 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.474 -50.019 14.803 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.191 -48.451 14.488 1.00 0.00 H new ATOM 0 HG2 MET A 28 36.333 -49.190 15.470 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.628 -50.730 15.921 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.784 -49.315 11.689 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.560 -48.410 12.611 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.215 -48.568 13.245 1.00 0.00 H new ATOM 446 N ASP A 29 31.624 -48.226 15.549 1.00 0.00 N ATOM 447 CA ASP A 29 30.300 -47.593 15.555 1.00 0.00 C ATOM 448 C ASP A 29 29.221 -48.683 15.638 1.00 0.00 C ATOM 449 O ASP A 29 28.172 -48.614 14.997 1.00 0.00 O ATOM 450 CB ASP A 29 30.149 -46.673 14.333 1.00 0.00 C ATOM 451 CG ASP A 29 30.357 -47.349 12.978 1.00 0.00 C ATOM 452 OD1 ASP A 29 30.344 -48.597 12.903 1.00 0.00 O ATOM 453 OD2 ASP A 29 30.535 -46.621 11.976 1.00 0.00 O ATOM 0 H ASP A 29 31.789 -48.879 14.783 1.00 0.00 H new ATOM 0 HA ASP A 29 30.181 -46.955 16.431 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.152 -46.232 14.352 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.862 -45.854 14.425 1.00 0.00 H new ATOM 458 N CYS A 30 29.484 -49.695 16.459 1.00 0.00 N ATOM 459 CA CYS A 30 28.548 -50.817 16.589 1.00 0.00 C ATOM 460 C CYS A 30 27.904 -50.822 17.979 1.00 0.00 C ATOM 461 O CYS A 30 28.190 -49.980 18.831 1.00 0.00 O ATOM 462 CB CYS A 30 29.330 -52.109 16.347 1.00 0.00 C ATOM 463 SG CYS A 30 29.985 -52.116 14.670 1.00 0.00 S ATOM 0 H CYS A 30 30.321 -49.766 17.037 1.00 0.00 H new ATOM 0 HA CYS A 30 27.743 -50.725 15.860 1.00 0.00 H new ATOM 0 HB2 CYS A 30 30.145 -52.193 17.066 1.00 0.00 H new ATOM 0 HB3 CYS A 30 28.681 -52.972 16.498 1.00 0.00 H new ATOM 468 N ARG A 31 27.010 -51.775 18.211 1.00 0.00 N ATOM 469 CA ARG A 31 26.299 -51.813 19.496 1.00 0.00 C ATOM 470 C ARG A 31 26.987 -52.764 20.484 1.00 0.00 C ATOM 471 O ARG A 31 28.110 -53.223 20.276 1.00 0.00 O ATOM 472 CB ARG A 31 24.830 -52.186 19.244 1.00 0.00 C ATOM 473 CG ARG A 31 24.654 -53.622 18.736 1.00 0.00 C ATOM 474 CD ARG A 31 23.187 -53.974 18.477 1.00 0.00 C ATOM 475 NE ARG A 31 22.669 -53.212 17.335 1.00 0.00 N ATOM 476 CZ ARG A 31 21.419 -53.376 16.925 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.606 -54.225 17.528 1.00 0.00 N ATOM 478 NH2 ARG A 31 20.980 -52.678 15.898 1.00 0.00 N ATOM 0 H ARG A 31 26.761 -52.514 17.553 1.00 0.00 H new ATOM 0 HA ARG A 31 26.327 -50.828 19.961 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.266 -52.062 20.168 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.405 -51.495 18.516 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.224 -53.751 17.816 1.00 0.00 H new ATOM 0 HG3 ARG A 31 25.068 -54.316 19.467 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.092 -55.042 18.282 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.593 -53.758 19.365 1.00 0.00 H new ATOM 0 HE ARG A 31 23.276 -52.550 16.852 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.937 -54.769 18.325 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.648 -54.336 17.197 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.600 -52.019 15.427 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.020 -52.796 15.574 1.00 0.00 H new ATOM 492 N TRP A 32 26.300 -53.053 21.582 1.00 0.00 N ATOM 493 CA TRP A 32 26.867 -53.921 22.622 1.00 0.00 C ATOM 494 C TRP A 32 27.307 -55.287 22.085 1.00 0.00 C ATOM 495 O TRP A 32 28.477 -55.656 22.185 1.00 0.00 O ATOM 496 CB TRP A 32 25.790 -54.044 23.709 1.00 0.00 C ATOM 497 CG TRP A 32 26.111 -55.050 24.797 1.00 0.00 C ATOM 498 CD1 TRP A 32 25.337 -56.166 25.133 1.00 0.00 C ATOM 499 CD2 TRP A 32 27.163 -55.045 25.679 1.00 0.00 C ATOM 500 NE1 TRP A 32 25.904 -56.857 26.213 1.00 0.00 N ATOM 501 CE2 TRP A 32 27.035 -56.115 26.518 1.00 0.00 C ATOM 502 CE3 TRP A 32 28.186 -54.177 25.794 1.00 0.00 C ATOM 503 CZ2 TRP A 32 27.934 -56.333 27.498 1.00 0.00 C ATOM 504 CZ3 TRP A 32 29.095 -54.400 26.776 1.00 0.00 C ATOM 505 CH2 TRP A 32 28.969 -55.464 27.618 1.00 0.00 C ATOM 0 H TRP A 32 25.361 -52.707 21.780 1.00 0.00 H new ATOM 0 HA TRP A 32 27.782 -53.486 23.023 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.640 -53.066 24.167 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.847 -54.324 23.239 1.00 0.00 H new ATOM 0 HD1 TRP A 32 24.427 -56.456 24.629 1.00 0.00 H new ATOM 0 HE1 TRP A 32 25.565 -57.705 26.667 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.280 -53.332 25.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 27.834 -57.174 28.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 29.930 -53.725 26.892 1.00 0.00 H new ATOM 0 HH2 TRP A 32 29.705 -55.618 28.393 1.00 0.00 H new ATOM 516 N ARG A 33 26.381 -56.054 21.530 1.00 0.00 N ATOM 517 CA ARG A 33 26.739 -57.404 21.075 1.00 0.00 C ATOM 518 C ARG A 33 27.432 -57.436 19.705 1.00 0.00 C ATOM 519 O ARG A 33 27.833 -58.507 19.252 1.00 0.00 O ATOM 520 CB ARG A 33 25.477 -58.268 20.968 1.00 0.00 C ATOM 521 CG ARG A 33 24.873 -58.664 22.317 1.00 0.00 C ATOM 522 CD ARG A 33 23.702 -59.616 22.072 1.00 0.00 C ATOM 523 NE ARG A 33 23.205 -60.174 23.333 1.00 0.00 N ATOM 524 CZ ARG A 33 22.262 -61.108 23.323 1.00 0.00 C ATOM 525 NH1 ARG A 33 21.723 -61.521 22.189 1.00 0.00 N ATOM 526 NH2 ARG A 33 21.859 -61.634 24.462 1.00 0.00 N ATOM 0 H ARG A 33 25.408 -55.786 21.384 1.00 0.00 H new ATOM 0 HA ARG A 33 27.440 -57.785 21.818 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.727 -57.726 20.392 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.716 -59.173 20.410 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.626 -59.145 22.941 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.533 -57.778 22.853 1.00 0.00 H new ATOM 0 HD2 ARG A 33 22.897 -59.085 21.563 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.018 -60.424 21.412 1.00 0.00 H new ATOM 0 HE ARG A 33 23.585 -59.844 24.220 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.031 -61.121 21.303 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.999 -62.240 22.200 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.271 -61.323 25.342 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.135 -62.352 24.464 1.00 0.00 H new ATOM 540 N TRP A 34 27.543 -56.315 19.002 1.00 0.00 N ATOM 541 CA TRP A 34 28.062 -56.370 17.626 1.00 0.00 C ATOM 542 C TRP A 34 29.439 -55.705 17.545 1.00 0.00 C ATOM 543 O TRP A 34 29.857 -54.955 18.428 1.00 0.00 O ATOM 544 CB TRP A 34 27.086 -55.674 16.667 1.00 0.00 C ATOM 545 CG TRP A 34 25.739 -56.366 16.503 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.233 -57.468 17.207 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.769 -56.041 15.584 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.963 -57.824 16.733 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.724 -56.911 15.720 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.754 -55.067 14.652 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.645 -56.826 14.915 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.667 -54.980 13.844 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.627 -55.850 13.973 1.00 0.00 C ATOM 0 H TRP A 34 27.293 -55.385 19.339 1.00 0.00 H new ATOM 0 HA TRP A 34 28.163 -57.416 17.335 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.914 -54.658 17.022 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.558 -55.594 15.688 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.752 -57.975 18.007 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.358 -58.578 17.058 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.580 -54.378 14.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.820 -57.515 15.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.626 -54.210 13.088 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.775 -55.761 13.315 1.00 0.00 H new ATOM 564 N LYS A 35 30.152 -55.983 16.461 1.00 0.00 N ATOM 565 CA LYS A 35 31.481 -55.385 16.275 1.00 0.00 C ATOM 566 C LYS A 35 31.751 -55.156 14.782 1.00 0.00 C ATOM 567 O LYS A 35 31.039 -55.678 13.924 1.00 0.00 O ATOM 568 CB LYS A 35 32.542 -56.305 16.889 1.00 0.00 C ATOM 569 CG LYS A 35 32.566 -57.705 16.271 1.00 0.00 C ATOM 570 CD LYS A 35 33.794 -58.461 16.775 1.00 0.00 C ATOM 571 CE LYS A 35 33.853 -59.876 16.204 1.00 0.00 C ATOM 572 NZ LYS A 35 35.090 -60.526 16.664 1.00 0.00 N ATOM 0 H LYS A 35 29.848 -56.603 15.710 1.00 0.00 H new ATOM 0 HA LYS A 35 31.522 -54.418 16.777 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.523 -55.846 16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.360 -56.392 17.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.658 -58.247 16.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.590 -57.634 15.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.697 -57.917 16.497 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.773 -58.507 17.864 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.984 -60.449 16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.827 -59.844 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.333 -61.305 16.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.864 -59.831 16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.949 -60.902 17.623 1.00 0.00 H new ATOM 586 N CYS A 36 32.780 -54.382 14.446 1.00 0.00 N ATOM 587 CA CYS A 36 33.080 -54.162 13.022 1.00 0.00 C ATOM 588 C CYS A 36 34.126 -55.169 12.545 1.00 0.00 C ATOM 589 O CYS A 36 35.252 -55.194 13.039 1.00 0.00 O ATOM 590 CB CYS A 36 33.622 -52.746 12.793 1.00 0.00 C ATOM 591 SG CYS A 36 32.305 -51.517 12.898 1.00 0.00 S ATOM 0 H CYS A 36 33.401 -53.911 15.104 1.00 0.00 H new ATOM 0 HA CYS A 36 32.155 -54.290 12.460 1.00 0.00 H new ATOM 0 HB2 CYS A 36 34.390 -52.524 13.534 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.098 -52.690 11.814 1.00 0.00 H new ATOM 596 N CYS A 37 33.787 -55.984 11.555 1.00 0.00 N ATOM 597 CA CYS A 37 34.802 -56.881 10.990 1.00 0.00 C ATOM 598 C CYS A 37 35.402 -56.261 9.729 1.00 0.00 C ATOM 599 O CYS A 37 34.717 -55.612 8.937 1.00 0.00 O ATOM 600 CB CYS A 37 34.205 -58.253 10.683 1.00 0.00 C ATOM 601 SG CYS A 37 35.550 -59.413 10.378 1.00 0.00 S ATOM 0 H CYS A 37 32.859 -56.048 11.136 1.00 0.00 H new ATOM 0 HA CYS A 37 35.594 -57.017 11.726 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.594 -58.595 11.518 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.552 -58.195 9.813 1.00 0.00 H new ATOM 606 N LYS A 38 36.701 -56.461 9.546 1.00 0.00 N ATOM 607 CA LYS A 38 37.372 -55.893 8.373 1.00 0.00 C ATOM 608 C LYS A 38 37.832 -57.028 7.458 1.00 0.00 C ATOM 609 O LYS A 38 38.816 -57.716 7.730 1.00 0.00 O ATOM 610 CB LYS A 38 38.554 -55.044 8.848 1.00 0.00 C ATOM 611 CG LYS A 38 39.253 -54.366 7.666 1.00 0.00 C ATOM 612 CD LYS A 38 40.242 -53.289 8.120 1.00 0.00 C ATOM 613 CE LYS A 38 41.312 -53.818 9.077 1.00 0.00 C ATOM 614 NZ LYS A 38 42.196 -54.773 8.389 1.00 0.00 N ATOM 0 H LYS A 38 37.302 -56.996 10.173 1.00 0.00 H new ATOM 0 HA LYS A 38 36.692 -55.257 7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.204 -54.288 9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.265 -55.672 9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.781 -55.117 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.505 -53.918 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.728 -52.859 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 39.693 -52.484 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.900 -52.988 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 38 40.837 -54.303 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.946 -55.083 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 41.643 -55.598 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.625 -54.314 7.560 1.00 0.00 H new