USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 336 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 3 GLN : amide:sc= 0 K(o=-1.5,f=-3.4) USER MOD Set 1.2: A 28 MET CE :methyl -169:sc= -1.48 (180deg=-1.61) USER MOD Single : A 1 TYR N :NH3+ -151:sc= 0.733 (180deg=0.177) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0682) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.13 K(o=0.13,f=-0.73) 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 180:sc= 0 USER MOD Single : A 23 SER OG : rot -4:sc= 1.11 USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= 0.359 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.14) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 1.75 (180deg=1.55) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc=-0.00384 (180deg=-0.15) USER MOD Single : A 41 SER OG : rot 60:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 28.180 -44.271 11.287 1.00 0.00 N ATOM 2 CA TYR A 1 29.014 -44.878 10.233 1.00 0.00 C ATOM 3 C TYR A 1 30.206 -43.972 9.907 1.00 0.00 C ATOM 4 O TYR A 1 30.428 -43.562 8.769 1.00 0.00 O ATOM 5 CB TYR A 1 28.157 -45.196 9.000 1.00 0.00 C ATOM 6 CG TYR A 1 27.472 -43.991 8.377 1.00 0.00 C ATOM 7 CD1 TYR A 1 26.310 -43.528 8.892 1.00 0.00 C ATOM 8 CD2 TYR A 1 27.998 -43.404 7.280 1.00 0.00 C ATOM 9 CE1 TYR A 1 25.687 -42.475 8.320 1.00 0.00 C ATOM 10 CE2 TYR A 1 27.376 -42.351 6.708 1.00 0.00 C ATOM 11 CZ TYR A 1 26.219 -41.888 7.228 1.00 0.00 C ATOM 12 OH TYR A 1 25.582 -40.827 6.640 1.00 0.00 O ATOM 0 H1 TYR A 1 27.711 -45.021 11.834 1.00 0.00 H new ATOM 0 H2 TYR A 1 28.779 -43.704 11.920 1.00 0.00 H new ATOM 0 H3 TYR A 1 27.461 -43.659 10.851 1.00 0.00 H new ATOM 0 HA TYR A 1 29.425 -45.822 10.591 1.00 0.00 H new ATOM 0 HB2 TYR A 1 28.788 -45.668 8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 1 27.397 -45.925 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 1 25.880 -44.001 9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 1 28.919 -43.778 6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 1 24.763 -42.103 8.737 1.00 0.00 H new ATOM 0 HE2 TYR A 1 27.803 -41.879 5.835 1.00 0.00 H new ATOM 0 HH TYR A 1 26.100 -40.523 5.866 1.00 0.00 H new ATOM 24 N LYS A 2 30.992 -43.665 10.928 1.00 0.00 N ATOM 25 CA LYS A 2 32.142 -42.776 10.733 1.00 0.00 C ATOM 26 C LYS A 2 33.445 -43.574 10.811 1.00 0.00 C ATOM 27 O LYS A 2 34.188 -43.659 9.833 1.00 0.00 O ATOM 28 CB LYS A 2 32.111 -41.656 11.781 1.00 0.00 C ATOM 29 CG LYS A 2 30.916 -40.719 11.583 1.00 0.00 C ATOM 30 CD LYS A 2 30.936 -39.588 12.611 1.00 0.00 C ATOM 31 CE LYS A 2 29.783 -38.614 12.374 1.00 0.00 C ATOM 32 NZ LYS A 2 29.847 -37.522 13.359 1.00 0.00 N ATOM 0 H LYS A 2 30.865 -44.006 11.881 1.00 0.00 H new ATOM 0 HA LYS A 2 32.088 -42.322 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 2 32.067 -42.094 12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 2 33.036 -41.081 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 2 30.938 -40.302 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.987 -41.283 11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.865 -40.004 13.616 1.00 0.00 H new ATOM 0 HD3 LYS A 2 31.885 -39.055 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 2 29.838 -38.209 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 2 28.830 -39.136 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 29.061 -36.861 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 29.774 -37.916 14.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 30.751 -37.017 13.259 1.00 0.00 H new ATOM 46 N GLN A 3 33.750 -44.155 11.966 1.00 0.00 N ATOM 47 CA GLN A 3 35.013 -44.892 12.093 1.00 0.00 C ATOM 48 C GLN A 3 34.937 -46.276 11.445 1.00 0.00 C ATOM 49 O GLN A 3 35.815 -46.653 10.669 1.00 0.00 O ATOM 50 CB GLN A 3 35.385 -45.002 13.572 1.00 0.00 C ATOM 51 CG GLN A 3 36.797 -45.563 13.740 1.00 0.00 C ATOM 52 CD GLN A 3 37.168 -45.677 15.212 1.00 0.00 C ATOM 53 OE1 GLN A 3 36.625 -46.489 15.958 1.00 0.00 O ATOM 54 NE2 GLN A 3 38.105 -44.858 15.648 1.00 0.00 N ATOM 0 H GLN A 3 33.168 -44.136 12.803 1.00 0.00 H new ATOM 0 HA GLN A 3 35.788 -44.340 11.561 1.00 0.00 H new ATOM 0 HB2 GLN A 3 35.322 -44.020 14.041 1.00 0.00 H new ATOM 0 HB3 GLN A 3 34.670 -45.646 14.084 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.861 -46.544 13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 3 37.512 -44.917 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 3 38.540 -44.193 15.008 1.00 0.00 H new ATOM 0 HE22 GLN A 3 38.395 -44.889 16.625 1.00 0.00 H new ATOM 63 N CYS A 4 33.904 -47.050 11.758 1.00 0.00 N ATOM 64 CA CYS A 4 33.793 -48.395 11.174 1.00 0.00 C ATOM 65 C CYS A 4 33.748 -48.354 9.644 1.00 0.00 C ATOM 66 O CYS A 4 34.311 -49.213 8.964 1.00 0.00 O ATOM 67 CB CYS A 4 32.529 -49.060 11.723 1.00 0.00 C ATOM 68 SG CYS A 4 32.299 -50.714 11.034 1.00 0.00 S ATOM 0 H CYS A 4 33.149 -46.787 12.392 1.00 0.00 H new ATOM 0 HA CYS A 4 34.677 -48.970 11.450 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.592 -49.123 12.809 1.00 0.00 H new ATOM 0 HB3 CYS A 4 31.661 -48.443 11.489 1.00 0.00 H new ATOM 73 N HIS A 5 33.086 -47.346 9.092 1.00 0.00 N ATOM 74 CA HIS A 5 33.019 -47.221 7.633 1.00 0.00 C ATOM 75 C HIS A 5 34.346 -46.735 7.036 1.00 0.00 C ATOM 76 O HIS A 5 34.754 -47.180 5.963 1.00 0.00 O ATOM 77 CB HIS A 5 31.878 -46.256 7.305 1.00 0.00 C ATOM 78 CG HIS A 5 31.525 -46.288 5.837 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.005 -45.405 4.886 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.672 -47.231 5.248 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.392 -45.910 3.769 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.569 -47.000 3.887 1.00 0.00 N ATOM 0 H HIS A 5 32.597 -46.617 9.612 1.00 0.00 H new ATOM 0 HA HIS A 5 32.832 -48.199 7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.000 -46.516 7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.165 -45.243 7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.167 -48.024 5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.556 -45.453 2.804 1.00 0.00 H new ATOM 0 HE2 HIS A 5 30.034 -47.498 3.176 1.00 0.00 H new ATOM 91 N LYS A 6 35.026 -45.821 7.716 1.00 0.00 N ATOM 92 CA LYS A 6 36.308 -45.323 7.200 1.00 0.00 C ATOM 93 C LYS A 6 37.394 -46.406 7.221 1.00 0.00 C ATOM 94 O LYS A 6 38.212 -46.493 6.304 1.00 0.00 O ATOM 95 CB LYS A 6 36.720 -44.117 8.051 1.00 0.00 C ATOM 96 CG LYS A 6 37.988 -43.424 7.543 1.00 0.00 C ATOM 97 CD LYS A 6 37.765 -42.755 6.184 1.00 0.00 C ATOM 98 CE LYS A 6 38.974 -41.919 5.763 1.00 0.00 C ATOM 99 NZ LYS A 6 40.147 -42.782 5.538 1.00 0.00 N ATOM 0 H LYS A 6 34.728 -45.414 8.603 1.00 0.00 H new ATOM 0 HA LYS A 6 36.190 -45.030 6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.902 -43.397 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.879 -44.443 9.079 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.309 -42.676 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 6 38.793 -44.154 7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.569 -43.518 5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 6 36.881 -42.119 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.742 -41.367 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 6 39.200 -41.182 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.918 -42.219 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 40.460 -43.185 6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 39.892 -43.552 4.887 1.00 0.00 H new ATOM 113 N LYS A 7 37.413 -47.240 8.254 1.00 0.00 N ATOM 114 CA LYS A 7 38.384 -48.342 8.289 1.00 0.00 C ATOM 115 C LYS A 7 38.131 -49.353 7.166 1.00 0.00 C ATOM 116 O LYS A 7 39.070 -49.908 6.596 1.00 0.00 O ATOM 117 CB LYS A 7 38.298 -49.060 9.640 1.00 0.00 C ATOM 118 CG LYS A 7 38.677 -48.175 10.833 1.00 0.00 C ATOM 119 CD LYS A 7 40.152 -47.765 10.852 1.00 0.00 C ATOM 120 CE LYS A 7 41.081 -48.969 11.013 1.00 0.00 C ATOM 121 NZ LYS A 7 42.479 -48.510 11.072 1.00 0.00 N ATOM 0 H LYS A 7 36.790 -47.184 9.059 1.00 0.00 H new ATOM 0 HA LYS A 7 39.377 -47.916 8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.282 -49.429 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 7 38.954 -49.930 9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 7 38.060 -47.277 10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.445 -48.706 11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 7 40.394 -47.242 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.323 -47.064 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.829 -49.517 11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.949 -49.657 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 43.109 -49.330 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 42.716 -48.006 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 42.600 -47.870 11.882 1.00 0.00 H new ATOM 135 N GLY A 8 36.869 -49.614 6.852 1.00 0.00 N ATOM 136 CA GLY A 8 36.561 -50.591 5.803 1.00 0.00 C ATOM 137 C GLY A 8 36.052 -51.886 6.422 1.00 0.00 C ATOM 138 O GLY A 8 36.706 -52.927 6.357 1.00 0.00 O ATOM 0 H GLY A 8 36.058 -49.179 7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.810 -50.184 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.452 -50.790 5.208 1.00 0.00 H new ATOM 142 N GLY A 9 34.880 -51.826 7.036 1.00 0.00 N ATOM 143 CA GLY A 9 34.359 -53.015 7.713 1.00 0.00 C ATOM 144 C GLY A 9 32.835 -53.027 7.726 1.00 0.00 C ATOM 145 O GLY A 9 32.168 -52.051 7.382 1.00 0.00 O ATOM 0 H GLY A 9 34.285 -50.999 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.727 -53.911 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.733 -53.046 8.736 1.00 0.00 H new ATOM 149 N HIS A 10 32.278 -54.153 8.146 1.00 0.00 N ATOM 150 CA HIS A 10 30.821 -54.250 8.271 1.00 0.00 C ATOM 151 C HIS A 10 30.489 -54.731 9.685 1.00 0.00 C ATOM 152 O HIS A 10 31.271 -55.431 10.330 1.00 0.00 O ATOM 153 CB HIS A 10 30.301 -55.225 7.207 1.00 0.00 C ATOM 154 CG HIS A 10 28.789 -55.318 7.205 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.069 -56.349 7.783 1.00 0.00 N ATOM 156 CD2 HIS A 10 27.920 -54.352 6.674 1.00 0.00 C ATOM 157 CE1 HIS A 10 26.794 -55.896 7.569 1.00 0.00 C ATOM 158 NE2 HIS A 10 26.603 -54.714 6.901 1.00 0.00 N ATOM 0 H HIS A 10 32.792 -54.996 8.402 1.00 0.00 H new ATOM 0 HA HIS A 10 30.342 -53.284 8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.645 -54.904 6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.724 -56.214 7.385 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.394 -57.202 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.234 -53.455 6.162 1.00 0.00 H new ATOM 0 HE1 HIS A 10 25.947 -56.465 7.923 1.00 0.00 H new ATOM 167 N CYS A 11 29.320 -54.355 10.183 1.00 0.00 N ATOM 168 CA CYS A 11 28.952 -54.758 11.543 1.00 0.00 C ATOM 169 C CYS A 11 28.421 -56.189 11.576 1.00 0.00 C ATOM 170 O CYS A 11 27.603 -56.604 10.754 1.00 0.00 O ATOM 171 CB CYS A 11 27.904 -53.795 12.094 1.00 0.00 C ATOM 172 SG CYS A 11 28.700 -52.232 12.493 1.00 0.00 S ATOM 0 H CYS A 11 28.627 -53.791 9.691 1.00 0.00 H new ATOM 0 HA CYS A 11 29.846 -54.722 12.165 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.113 -53.639 11.360 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.435 -54.217 12.983 1.00 0.00 H new ATOM 177 N PHE A 12 28.890 -56.943 12.559 1.00 0.00 N ATOM 178 CA PHE A 12 28.408 -58.317 12.733 1.00 0.00 C ATOM 179 C PHE A 12 28.221 -58.572 14.230 1.00 0.00 C ATOM 180 O PHE A 12 29.033 -58.118 15.038 1.00 0.00 O ATOM 181 CB PHE A 12 29.450 -59.316 12.215 1.00 0.00 C ATOM 182 CG PHE A 12 29.729 -59.181 10.732 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.914 -59.768 9.828 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.821 -58.504 10.313 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.188 -59.671 8.509 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.095 -58.407 8.995 1.00 0.00 C ATOM 187 CZ PHE A 12 30.278 -58.992 8.092 1.00 0.00 C ATOM 0 H PHE A 12 29.589 -56.641 13.238 1.00 0.00 H new ATOM 0 HA PHE A 12 27.475 -58.442 12.183 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.380 -59.178 12.766 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.105 -60.329 12.421 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.044 -60.315 10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.476 -58.039 11.035 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.534 -60.137 7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.966 -57.862 8.663 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.497 -58.917 7.037 1.00 0.00 H new ATOM 197 N PRO A 13 27.210 -59.332 14.645 1.00 0.00 N ATOM 198 CA PRO A 13 27.096 -59.766 16.041 1.00 0.00 C ATOM 199 C PRO A 13 28.373 -60.445 16.542 1.00 0.00 C ATOM 200 O PRO A 13 29.236 -60.852 15.764 1.00 0.00 O ATOM 201 CB PRO A 13 25.926 -60.749 15.967 1.00 0.00 C ATOM 202 CG PRO A 13 25.119 -60.311 14.745 1.00 0.00 C ATOM 203 CD PRO A 13 26.172 -59.836 13.748 1.00 0.00 C ATOM 0 HA PRO A 13 26.943 -58.944 16.741 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.278 -61.775 15.860 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.321 -60.712 16.873 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.531 -61.135 14.340 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.420 -59.513 14.995 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.534 -60.646 13.115 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.790 -59.060 13.085 1.00 0.00 H new ATOM 211 N LYS A 14 28.511 -60.565 17.854 1.00 0.00 N ATOM 212 CA LYS A 14 29.766 -61.094 18.405 1.00 0.00 C ATOM 213 C LYS A 14 29.793 -62.628 18.451 1.00 0.00 C ATOM 214 O LYS A 14 30.188 -63.232 19.448 1.00 0.00 O ATOM 215 CB LYS A 14 29.974 -60.490 19.798 1.00 0.00 C ATOM 216 CG LYS A 14 28.889 -60.905 20.796 1.00 0.00 C ATOM 217 CD LYS A 14 29.209 -60.360 22.187 1.00 0.00 C ATOM 218 CE LYS A 14 28.135 -60.775 23.193 1.00 0.00 C ATOM 219 NZ LYS A 14 28.472 -60.254 24.529 1.00 0.00 N ATOM 0 H LYS A 14 27.801 -60.315 18.543 1.00 0.00 H new ATOM 0 HA LYS A 14 30.585 -60.807 17.746 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.948 -60.797 20.180 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.991 -59.403 19.718 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.920 -60.531 20.466 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.816 -61.992 20.832 1.00 0.00 H new ATOM 0 HD2 LYS A 14 30.181 -60.730 22.513 1.00 0.00 H new ATOM 0 HD3 LYS A 14 29.278 -59.273 22.150 1.00 0.00 H new ATOM 0 HE2 LYS A 14 27.163 -60.394 22.879 1.00 0.00 H new ATOM 0 HE3 LYS A 14 28.056 -61.862 23.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 27.738 -60.540 25.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 29.390 -60.638 24.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 28.526 -59.216 24.493 1.00 0.00 H new ATOM 233 N GLU A 15 29.384 -63.273 17.368 1.00 0.00 N ATOM 234 CA GLU A 15 29.262 -64.736 17.400 1.00 0.00 C ATOM 235 C GLU A 15 29.611 -65.412 16.068 1.00 0.00 C ATOM 236 O GLU A 15 30.033 -66.568 16.047 1.00 0.00 O ATOM 237 CB GLU A 15 27.837 -65.102 17.834 1.00 0.00 C ATOM 238 CG GLU A 15 26.772 -64.670 16.821 1.00 0.00 C ATOM 239 CD GLU A 15 25.365 -64.900 17.349 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.892 -64.089 18.174 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.721 -65.887 16.932 1.00 0.00 O ATOM 0 H GLU A 15 29.137 -62.832 16.482 1.00 0.00 H new ATOM 0 HA GLU A 15 29.992 -65.110 18.117 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.774 -66.180 17.981 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.625 -64.636 18.796 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.903 -63.614 16.584 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.907 -65.225 15.893 1.00 0.00 H new ATOM 248 N LYS A 16 29.407 -64.733 14.947 1.00 0.00 N ATOM 249 CA LYS A 16 29.552 -65.411 13.652 1.00 0.00 C ATOM 250 C LYS A 16 30.995 -65.372 13.144 1.00 0.00 C ATOM 251 O LYS A 16 31.874 -64.719 13.709 1.00 0.00 O ATOM 252 CB LYS A 16 28.612 -64.767 12.629 1.00 0.00 C ATOM 253 CG LYS A 16 27.144 -64.972 13.009 1.00 0.00 C ATOM 254 CD LYS A 16 26.200 -64.392 11.957 1.00 0.00 C ATOM 255 CE LYS A 16 26.244 -65.186 10.651 1.00 0.00 C ATOM 256 NZ LYS A 16 25.281 -64.622 9.691 1.00 0.00 N ATOM 0 H LYS A 16 29.149 -63.747 14.898 1.00 0.00 H new ATOM 0 HA LYS A 16 29.286 -66.459 13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.825 -63.700 12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.797 -65.195 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.945 -66.037 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.949 -64.501 13.972 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.182 -64.389 12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.469 -63.354 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 16 27.249 -65.157 10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.009 -66.233 10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.315 -65.166 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.322 -64.672 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.524 -63.629 9.498 1.00 0.00 H new ATOM 270 N ILE A 17 31.238 -66.090 12.054 1.00 0.00 N ATOM 271 CA ILE A 17 32.590 -66.125 11.483 1.00 0.00 C ATOM 272 C ILE A 17 32.860 -64.853 10.684 1.00 0.00 C ATOM 273 O ILE A 17 32.023 -64.359 9.928 1.00 0.00 O ATOM 274 CB ILE A 17 32.750 -67.364 10.582 1.00 0.00 C ATOM 275 CG1 ILE A 17 32.782 -68.624 11.457 1.00 0.00 C ATOM 276 CG2 ILE A 17 34.023 -67.274 9.724 1.00 0.00 C ATOM 277 CD1 ILE A 17 32.788 -69.911 10.632 1.00 0.00 C ATOM 0 H ILE A 17 30.542 -66.644 11.555 1.00 0.00 H new ATOM 0 HA ILE A 17 33.313 -66.185 12.296 1.00 0.00 H new ATOM 0 HB ILE A 17 31.900 -67.412 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 17 33.668 -68.599 12.092 1.00 0.00 H new ATOM 0 HG13 ILE A 17 31.916 -68.625 12.119 1.00 0.00 H new ATOM 0 HG21 ILE A 17 34.105 -68.164 9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 17 33.972 -66.389 9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.895 -67.204 10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 17 32.811 -70.772 11.301 1.00 0.00 H new ATOM 0 HD12 ILE A 17 31.889 -69.953 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 17 33.668 -69.927 9.989 1.00 0.00 H new ATOM 289 N CYS A 18 34.079 -64.361 10.829 1.00 0.00 N ATOM 290 CA CYS A 18 34.552 -63.301 9.940 1.00 0.00 C ATOM 291 C CYS A 18 35.724 -63.880 9.149 1.00 0.00 C ATOM 292 O CYS A 18 36.507 -64.679 9.663 1.00 0.00 O ATOM 293 CB CYS A 18 34.983 -62.093 10.770 1.00 0.00 C ATOM 294 SG CYS A 18 35.438 -60.754 9.659 1.00 0.00 S ATOM 0 H CYS A 18 34.749 -64.666 11.535 1.00 0.00 H new ATOM 0 HA CYS A 18 33.771 -62.964 9.258 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.172 -61.778 11.427 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.826 -62.356 11.408 1.00 0.00 H new ATOM 299 N LEU A 19 35.837 -63.517 7.880 1.00 0.00 N ATOM 300 CA LEU A 19 36.865 -64.144 7.043 1.00 0.00 C ATOM 301 C LEU A 19 37.565 -63.050 6.225 1.00 0.00 C ATOM 302 O LEU A 19 36.938 -62.410 5.380 1.00 0.00 O ATOM 303 CB LEU A 19 36.158 -65.192 6.171 1.00 0.00 C ATOM 304 CG LEU A 19 37.079 -66.144 5.395 1.00 0.00 C ATOM 305 CD1 LEU A 19 37.974 -65.412 4.395 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.928 -66.988 6.346 1.00 0.00 C ATOM 0 H LEU A 19 35.257 -62.819 7.415 1.00 0.00 H new ATOM 0 HA LEU A 19 37.638 -64.646 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.505 -65.788 6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.519 -64.672 5.457 1.00 0.00 H new ATOM 0 HG LEU A 19 36.426 -66.804 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 38.604 -66.133 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 19 37.354 -64.883 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.603 -64.697 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.570 -67.653 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.544 -66.333 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 19 37.276 -67.581 6.987 1.00 0.00 H new ATOM 318 N PRO A 20 38.858 -62.793 6.444 1.00 0.00 N ATOM 319 CA PRO A 20 39.679 -63.544 7.398 1.00 0.00 C ATOM 320 C PRO A 20 39.309 -63.212 8.849 1.00 0.00 C ATOM 321 O PRO A 20 38.710 -62.174 9.130 1.00 0.00 O ATOM 322 CB PRO A 20 41.089 -63.068 7.041 1.00 0.00 C ATOM 323 CG PRO A 20 40.895 -61.678 6.436 1.00 0.00 C ATOM 324 CD PRO A 20 39.575 -61.779 5.676 1.00 0.00 C ATOM 0 HA PRO A 20 39.554 -64.625 7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.728 -63.029 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.566 -63.744 6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 20 40.852 -60.910 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.718 -61.415 5.771 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.041 -60.829 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 20 39.723 -62.082 4.639 1.00 0.00 H new ATOM 332 N PRO A 21 39.637 -64.090 9.794 1.00 0.00 N ATOM 333 CA PRO A 21 39.115 -63.967 11.157 1.00 0.00 C ATOM 334 C PRO A 21 39.934 -63.048 12.069 1.00 0.00 C ATOM 335 O PRO A 21 39.399 -62.489 13.026 1.00 0.00 O ATOM 336 CB PRO A 21 39.178 -65.421 11.635 1.00 0.00 C ATOM 337 CG PRO A 21 40.341 -66.038 10.858 1.00 0.00 C ATOM 338 CD PRO A 21 40.259 -65.377 9.485 1.00 0.00 C ATOM 0 HA PRO A 21 38.127 -63.508 11.182 1.00 0.00 H new ATOM 0 HB2 PRO A 21 39.347 -65.477 12.710 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.244 -65.945 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 21 41.296 -65.836 11.342 1.00 0.00 H new ATOM 0 HG3 PRO A 21 40.243 -67.121 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.243 -65.255 9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.659 -65.962 8.788 1.00 0.00 H new ATOM 346 N SER A 22 41.232 -62.904 11.827 1.00 0.00 N ATOM 347 CA SER A 22 42.068 -62.171 12.787 1.00 0.00 C ATOM 348 C SER A 22 42.216 -60.701 12.391 1.00 0.00 C ATOM 349 O SER A 22 43.319 -60.191 12.195 1.00 0.00 O ATOM 350 CB SER A 22 43.432 -62.858 12.888 1.00 0.00 C ATOM 351 OG SER A 22 43.268 -64.208 13.303 1.00 0.00 O ATOM 0 H SER A 22 41.720 -63.267 11.008 1.00 0.00 H new ATOM 0 HA SER A 22 41.585 -62.186 13.764 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.937 -62.825 11.923 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.065 -62.325 13.598 1.00 0.00 H new ATOM 0 HG SER A 22 44.145 -64.641 13.363 1.00 0.00 H new ATOM 357 N SER A 23 41.091 -60.005 12.299 1.00 0.00 N ATOM 358 CA SER A 23 41.124 -58.564 12.023 1.00 0.00 C ATOM 359 C SER A 23 39.737 -57.993 12.318 1.00 0.00 C ATOM 360 O SER A 23 39.003 -57.597 11.414 1.00 0.00 O ATOM 361 CB SER A 23 41.497 -58.308 10.559 1.00 0.00 C ATOM 362 OG SER A 23 42.866 -58.612 10.333 1.00 0.00 O ATOM 0 H SER A 23 40.157 -60.400 12.408 1.00 0.00 H new ATOM 0 HA SER A 23 41.874 -58.082 12.650 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.871 -58.917 9.906 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.303 -57.266 10.305 1.00 0.00 H new ATOM 0 HG SER A 23 43.291 -58.858 11.181 1.00 0.00 H new ATOM 368 N ASP A 24 39.356 -57.957 13.589 1.00 0.00 N ATOM 369 CA ASP A 24 38.007 -57.492 13.926 1.00 0.00 C ATOM 370 C ASP A 24 38.067 -56.404 14.998 1.00 0.00 C ATOM 371 O ASP A 24 38.714 -56.542 16.037 1.00 0.00 O ATOM 372 CB ASP A 24 37.134 -58.679 14.354 1.00 0.00 C ATOM 373 CG ASP A 24 37.608 -59.378 15.623 1.00 0.00 C ATOM 374 OD1 ASP A 24 38.770 -59.837 15.668 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.808 -59.487 16.578 1.00 0.00 O ATOM 0 H ASP A 24 39.935 -58.233 14.382 1.00 0.00 H new ATOM 0 HA ASP A 24 37.548 -57.046 13.044 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.113 -58.329 14.505 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.105 -59.405 13.542 1.00 0.00 H new ATOM 380 N PHE A 25 37.377 -55.303 14.738 1.00 0.00 N ATOM 381 CA PHE A 25 37.337 -54.209 15.714 1.00 0.00 C ATOM 382 C PHE A 25 36.208 -54.466 16.712 1.00 0.00 C ATOM 383 O PHE A 25 35.384 -55.362 16.529 1.00 0.00 O ATOM 384 CB PHE A 25 37.104 -52.882 14.979 1.00 0.00 C ATOM 385 CG PHE A 25 38.113 -52.623 13.874 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.438 -52.715 14.126 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.688 -52.302 12.631 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.333 -52.493 13.141 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.584 -52.075 11.646 1.00 0.00 C ATOM 390 CZ PHE A 25 39.907 -52.173 11.901 1.00 0.00 C ATOM 0 H PHE A 25 36.847 -55.139 13.882 1.00 0.00 H new ATOM 0 HA PHE A 25 38.283 -54.155 16.253 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.101 -52.882 14.553 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.145 -52.064 15.698 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.781 -52.967 15.119 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.630 -52.227 12.425 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.391 -52.571 13.345 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.243 -51.815 10.655 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.624 -51.995 11.113 1.00 0.00 H new ATOM 400 N GLY A 26 36.158 -53.683 17.780 1.00 0.00 N ATOM 401 CA GLY A 26 35.124 -53.909 18.794 1.00 0.00 C ATOM 402 C GLY A 26 33.855 -53.126 18.472 1.00 0.00 C ATOM 403 O GLY A 26 33.413 -53.057 17.325 1.00 0.00 O ATOM 0 H GLY A 26 36.795 -52.909 17.969 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.893 -54.973 18.851 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.500 -53.611 19.773 1.00 0.00 H new ATOM 407 N LYS A 27 33.260 -52.526 19.493 1.00 0.00 N ATOM 408 CA LYS A 27 32.061 -51.714 19.260 1.00 0.00 C ATOM 409 C LYS A 27 32.469 -50.372 18.647 1.00 0.00 C ATOM 410 O LYS A 27 33.178 -49.572 19.257 1.00 0.00 O ATOM 411 CB LYS A 27 31.278 -51.538 20.570 1.00 0.00 C ATOM 412 CG LYS A 27 32.066 -50.789 21.653 1.00 0.00 C ATOM 413 CD LYS A 27 31.300 -50.700 22.974 1.00 0.00 C ATOM 414 CE LYS A 27 30.062 -49.811 22.863 1.00 0.00 C ATOM 415 NZ LYS A 27 29.442 -49.678 24.191 1.00 0.00 N ATOM 0 H LYS A 27 33.570 -52.578 20.463 1.00 0.00 H new ATOM 0 HA LYS A 27 31.399 -52.218 18.556 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.354 -50.997 20.363 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.994 -52.519 20.950 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.017 -51.294 21.821 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.296 -49.783 21.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.000 -51.700 23.287 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.959 -50.308 23.749 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.338 -48.830 22.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.351 -50.243 22.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.453 -49.998 24.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.963 -50.260 24.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.471 -48.682 24.489 1.00 0.00 H new ATOM 429 N MET A 28 32.046 -50.133 17.414 1.00 0.00 N ATOM 430 CA MET A 28 32.473 -48.913 16.723 1.00 0.00 C ATOM 431 C MET A 28 31.238 -48.075 16.379 1.00 0.00 C ATOM 432 O MET A 28 30.746 -47.320 17.217 1.00 0.00 O ATOM 433 CB MET A 28 33.292 -49.312 15.490 1.00 0.00 C ATOM 434 CG MET A 28 34.619 -49.974 15.863 1.00 0.00 C ATOM 435 SD MET A 28 35.455 -50.502 14.360 1.00 0.00 S ATOM 436 CE MET A 28 36.131 -48.927 13.823 1.00 0.00 C ATOM 0 H MET A 28 31.427 -50.743 16.880 1.00 0.00 H new ATOM 0 HA MET A 28 33.111 -48.295 17.354 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.708 -49.996 14.875 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.488 -48.427 14.885 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.246 -49.275 16.416 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.443 -50.829 16.516 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.516 -49.023 12.808 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.348 -48.169 13.844 1.00 0.00 H new ATOM 0 HE3 MET A 28 36.940 -48.632 14.491 1.00 0.00 H new ATOM 446 N ASP A 29 30.717 -48.198 15.163 1.00 0.00 N ATOM 447 CA ASP A 29 29.526 -47.418 14.795 1.00 0.00 C ATOM 448 C ASP A 29 28.300 -48.329 14.708 1.00 0.00 C ATOM 449 O ASP A 29 27.586 -48.357 13.706 1.00 0.00 O ATOM 450 CB ASP A 29 29.758 -46.727 13.449 1.00 0.00 C ATOM 451 CG ASP A 29 30.829 -45.650 13.517 1.00 0.00 C ATOM 452 OD1 ASP A 29 32.027 -45.989 13.622 1.00 0.00 O ATOM 453 OD2 ASP A 29 30.475 -44.453 13.444 1.00 0.00 O ATOM 0 H ASP A 29 31.081 -48.808 14.431 1.00 0.00 H new ATOM 0 HA ASP A 29 29.347 -46.664 15.562 1.00 0.00 H new ATOM 0 HB2 ASP A 29 30.045 -47.473 12.708 1.00 0.00 H new ATOM 0 HB3 ASP A 29 28.823 -46.282 13.108 1.00 0.00 H new ATOM 458 N CYS A 30 28.041 -49.076 15.772 1.00 0.00 N ATOM 459 CA CYS A 30 26.881 -49.972 15.782 1.00 0.00 C ATOM 460 C CYS A 30 26.417 -50.152 17.230 1.00 0.00 C ATOM 461 O CYS A 30 26.749 -49.353 18.108 1.00 0.00 O ATOM 462 CB CYS A 30 27.277 -51.282 15.096 1.00 0.00 C ATOM 463 SG CYS A 30 27.362 -51.000 13.317 1.00 0.00 S ATOM 0 H CYS A 30 28.601 -49.085 16.624 1.00 0.00 H new ATOM 0 HA CYS A 30 26.037 -49.563 15.227 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.240 -51.628 15.470 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.549 -52.061 15.321 1.00 0.00 H new ATOM 468 N ARG A 31 25.605 -51.166 17.502 1.00 0.00 N ATOM 469 CA ARG A 31 25.000 -51.254 18.836 1.00 0.00 C ATOM 470 C ARG A 31 25.993 -51.789 19.874 1.00 0.00 C ATOM 471 O ARG A 31 27.164 -52.046 19.591 1.00 0.00 O ATOM 472 CB ARG A 31 23.698 -52.064 18.772 1.00 0.00 C ATOM 473 CG ARG A 31 23.922 -53.575 18.651 1.00 0.00 C ATOM 474 CD ARG A 31 22.607 -54.330 18.442 1.00 0.00 C ATOM 475 NE ARG A 31 21.738 -54.202 19.618 1.00 0.00 N ATOM 476 CZ ARG A 31 20.596 -54.874 19.690 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.209 -55.674 18.714 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.835 -54.738 20.756 1.00 0.00 N ATOM 0 H ARG A 31 25.354 -51.912 16.853 1.00 0.00 H new ATOM 0 HA ARG A 31 24.740 -50.250 19.172 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.110 -51.863 19.668 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.109 -51.723 17.921 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.594 -53.777 17.817 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.413 -53.943 19.552 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.095 -53.940 17.562 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.814 -55.383 18.250 1.00 0.00 H new ATOM 0 HE ARG A 31 22.014 -53.591 20.387 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.792 -55.785 17.884 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.327 -56.181 18.790 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.126 -54.121 21.515 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.955 -55.249 20.823 1.00 0.00 H new ATOM 492 N TRP A 32 25.522 -51.923 21.105 1.00 0.00 N ATOM 493 CA TRP A 32 26.425 -52.238 22.216 1.00 0.00 C ATOM 494 C TRP A 32 27.204 -53.539 22.023 1.00 0.00 C ATOM 495 O TRP A 32 28.422 -53.583 22.195 1.00 0.00 O ATOM 496 CB TRP A 32 25.560 -52.323 23.476 1.00 0.00 C ATOM 497 CG TRP A 32 26.397 -52.444 24.732 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.974 -53.602 25.261 1.00 0.00 C ATOM 499 CD2 TRP A 32 26.733 -51.434 25.590 1.00 0.00 C ATOM 500 NE1 TRP A 32 27.662 -53.315 26.449 1.00 0.00 N ATOM 501 CE2 TRP A 32 27.477 -51.950 26.610 1.00 0.00 C ATOM 502 CE3 TRP A 32 26.439 -50.126 25.520 1.00 0.00 C ATOM 503 CZ2 TRP A 32 27.931 -51.155 27.600 1.00 0.00 C ATOM 504 CZ3 TRP A 32 26.898 -49.322 26.512 1.00 0.00 C ATOM 505 CH2 TRP A 32 27.631 -49.832 27.542 1.00 0.00 C ATOM 0 H TRP A 32 24.540 -51.822 21.363 1.00 0.00 H new ATOM 0 HA TRP A 32 27.183 -51.457 22.285 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.930 -51.436 23.544 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.893 -53.182 23.401 1.00 0.00 H new ATOM 0 HD1 TRP A 32 26.900 -54.583 24.816 1.00 0.00 H new ATOM 0 HE1 TRP A 32 28.176 -53.958 27.051 1.00 0.00 H new ATOM 0 HE3 TRP A 32 25.857 -49.727 24.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 28.515 -51.558 28.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 26.680 -48.265 26.485 1.00 0.00 H new ATOM 0 HH2 TRP A 32 27.979 -49.173 28.324 1.00 0.00 H new ATOM 516 N ARG A 33 26.494 -54.615 21.723 1.00 0.00 N ATOM 517 CA ARG A 33 27.137 -55.936 21.736 1.00 0.00 C ATOM 518 C ARG A 33 27.624 -56.385 20.351 1.00 0.00 C ATOM 519 O ARG A 33 28.050 -57.528 20.183 1.00 0.00 O ATOM 520 CB ARG A 33 26.147 -56.967 22.297 1.00 0.00 C ATOM 521 CG ARG A 33 25.725 -56.646 23.736 1.00 0.00 C ATOM 522 CD ARG A 33 24.687 -57.643 24.250 1.00 0.00 C ATOM 523 NE ARG A 33 24.241 -57.251 25.592 1.00 0.00 N ATOM 524 CZ ARG A 33 23.213 -57.862 26.166 1.00 0.00 C ATOM 525 NH1 ARG A 33 22.571 -58.842 25.555 1.00 0.00 N ATOM 526 NH2 ARG A 33 22.826 -57.484 27.368 1.00 0.00 N ATOM 0 H ARG A 33 25.505 -54.613 21.474 1.00 0.00 H new ATOM 0 HA ARG A 33 28.022 -55.861 22.367 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.263 -57.002 21.661 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.601 -57.957 22.266 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.600 -56.663 24.385 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.315 -55.637 23.780 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.836 -57.678 23.570 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.115 -58.645 24.278 1.00 0.00 H new ATOM 0 HE ARG A 33 24.725 -56.503 26.087 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.864 -59.141 24.625 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.783 -59.299 26.013 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.316 -56.729 27.847 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.037 -57.947 27.819 1.00 0.00 H new ATOM 540 N TRP A 34 27.568 -55.518 19.345 1.00 0.00 N ATOM 541 CA TRP A 34 27.996 -55.925 17.999 1.00 0.00 C ATOM 542 C TRP A 34 29.371 -55.332 17.692 1.00 0.00 C ATOM 543 O TRP A 34 29.835 -54.399 18.347 1.00 0.00 O ATOM 544 CB TRP A 34 26.960 -55.444 16.976 1.00 0.00 C ATOM 545 CG TRP A 34 25.683 -56.269 16.983 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.244 -57.173 17.961 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.716 -56.282 16.008 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.012 -57.736 17.601 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.727 -57.146 16.380 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.660 -55.609 14.842 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.651 -57.343 15.592 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.577 -55.806 14.050 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.583 -56.660 14.422 1.00 0.00 C ATOM 0 H TRP A 34 27.241 -54.555 19.424 1.00 0.00 H new ATOM 0 HA TRP A 34 28.071 -57.011 17.946 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.713 -54.402 17.181 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.401 -55.477 15.980 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.782 -57.404 18.868 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.456 -58.419 18.116 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.451 -54.935 14.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.866 -58.025 15.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.501 -55.278 13.111 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.728 -56.795 13.776 1.00 0.00 H new ATOM 564 N LYS A 35 30.044 -55.893 16.694 1.00 0.00 N ATOM 565 CA LYS A 35 31.417 -55.458 16.415 1.00 0.00 C ATOM 566 C LYS A 35 31.641 -55.188 14.923 1.00 0.00 C ATOM 567 O LYS A 35 30.821 -55.532 14.072 1.00 0.00 O ATOM 568 CB LYS A 35 32.388 -56.507 16.967 1.00 0.00 C ATOM 569 CG LYS A 35 32.322 -57.854 16.243 1.00 0.00 C ATOM 570 CD LYS A 35 33.412 -58.780 16.784 1.00 0.00 C ATOM 571 CE LYS A 35 33.461 -60.097 16.011 1.00 0.00 C ATOM 572 NZ LYS A 35 34.513 -60.957 16.580 1.00 0.00 N ATOM 0 H LYS A 35 29.683 -56.624 16.081 1.00 0.00 H new ATOM 0 HA LYS A 35 31.601 -54.507 16.915 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.404 -56.119 16.899 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.176 -56.663 18.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.341 -58.308 16.386 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.453 -57.709 15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.379 -58.282 16.719 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.228 -58.983 17.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.495 -60.600 16.065 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.662 -59.906 14.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.773 -61.690 15.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.349 -60.381 16.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.161 -61.408 17.448 1.00 0.00 H new ATOM 586 N CYS A 36 32.760 -54.546 14.607 1.00 0.00 N ATOM 587 CA CYS A 36 33.011 -54.123 13.223 1.00 0.00 C ATOM 588 C CYS A 36 34.207 -54.890 12.660 1.00 0.00 C ATOM 589 O CYS A 36 35.354 -54.647 13.033 1.00 0.00 O ATOM 590 CB CYS A 36 33.300 -52.622 13.280 1.00 0.00 C ATOM 591 SG CYS A 36 33.743 -51.950 11.667 1.00 0.00 S ATOM 0 H CYS A 36 33.497 -54.308 15.270 1.00 0.00 H new ATOM 0 HA CYS A 36 32.160 -54.327 12.573 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.422 -52.099 13.661 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.111 -52.437 13.984 1.00 0.00 H new ATOM 596 N CYS A 37 33.955 -55.836 11.766 1.00 0.00 N ATOM 597 CA CYS A 37 35.057 -56.677 11.285 1.00 0.00 C ATOM 598 C CYS A 37 35.690 -56.111 10.012 1.00 0.00 C ATOM 599 O CYS A 37 35.031 -55.491 9.177 1.00 0.00 O ATOM 600 CB CYS A 37 34.562 -58.101 11.036 1.00 0.00 C ATOM 601 SG CYS A 37 35.989 -59.153 10.719 1.00 0.00 S ATOM 0 H CYS A 37 33.038 -56.041 11.368 1.00 0.00 H new ATOM 0 HA CYS A 37 35.824 -56.690 12.059 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.007 -58.466 11.900 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.879 -58.122 10.186 1.00 0.00 H new ATOM 606 N LYS A 38 36.986 -56.350 9.865 1.00 0.00 N ATOM 607 CA LYS A 38 37.705 -55.880 8.675 1.00 0.00 C ATOM 608 C LYS A 38 38.502 -57.045 8.078 1.00 0.00 C ATOM 609 O LYS A 38 38.820 -58.027 8.749 1.00 0.00 O ATOM 610 CB LYS A 38 38.630 -54.735 9.109 1.00 0.00 C ATOM 611 CG LYS A 38 39.474 -54.179 7.958 1.00 0.00 C ATOM 612 CD LYS A 38 40.357 -53.026 8.434 1.00 0.00 C ATOM 613 CE LYS A 38 41.358 -52.591 7.362 1.00 0.00 C ATOM 614 NZ LYS A 38 40.665 -52.070 6.172 1.00 0.00 N ATOM 0 H LYS A 38 37.559 -56.858 10.539 1.00 0.00 H new ATOM 0 HA LYS A 38 37.018 -55.517 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.029 -53.931 9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.292 -55.089 9.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.097 -54.972 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.821 -53.835 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.729 -52.178 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.896 -53.329 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.019 -51.825 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.985 -53.437 7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.366 -51.719 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.105 -52.830 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 40.034 -51.292 6.451 1.00 0.00 H new ATOM 628 N LYS A 39 38.849 -56.937 6.803 1.00 0.00 N ATOM 629 CA LYS A 39 39.703 -57.961 6.193 1.00 0.00 C ATOM 630 C LYS A 39 41.179 -57.679 6.491 1.00 0.00 C ATOM 631 O LYS A 39 41.532 -56.790 7.266 1.00 0.00 O ATOM 632 CB LYS A 39 39.459 -57.966 4.681 1.00 0.00 C ATOM 633 CG LYS A 39 38.039 -58.406 4.328 1.00 0.00 C ATOM 634 CD LYS A 39 37.883 -58.436 2.809 1.00 0.00 C ATOM 635 CE LYS A 39 36.491 -58.907 2.387 1.00 0.00 C ATOM 636 NZ LYS A 39 36.296 -60.324 2.741 1.00 0.00 N ATOM 0 H LYS A 39 38.566 -56.178 6.183 1.00 0.00 H new ATOM 0 HA LYS A 39 39.457 -58.937 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 39 39.638 -56.967 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 40.175 -58.634 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 39 37.837 -59.393 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 39 37.314 -57.720 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 38.067 -57.440 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 39 38.635 -59.098 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.731 -58.296 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.366 -58.774 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 35.439 -60.684 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 37.119 -60.877 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.192 -60.413 3.772 1.00 0.00 H new ATOM 650 N GLY A 40 42.061 -58.444 5.862 1.00 0.00 N ATOM 651 CA GLY A 40 43.494 -58.187 6.025 1.00 0.00 C ATOM 652 C GLY A 40 43.947 -57.080 5.081 1.00 0.00 C ATOM 653 O GLY A 40 44.151 -55.935 5.486 1.00 0.00 O ATOM 0 H GLY A 40 41.825 -59.226 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 43.704 -57.903 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 40 44.058 -59.098 5.825 1.00 0.00 H new ATOM 657 N SER A 41 44.095 -57.416 3.807 1.00 0.00 N ATOM 658 CA SER A 41 44.477 -56.396 2.825 1.00 0.00 C ATOM 659 C SER A 41 43.226 -55.791 2.183 1.00 0.00 C ATOM 660 O SER A 41 42.923 -56.010 1.009 1.00 0.00 O ATOM 661 CB SER A 41 45.402 -57.028 1.780 1.00 0.00 C ATOM 662 OG SER A 41 44.752 -58.113 1.130 1.00 0.00 O ATOM 0 H SER A 41 43.963 -58.355 3.431 1.00 0.00 H new ATOM 0 HA SER A 41 45.016 -55.586 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 41 45.695 -56.279 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 41 46.316 -57.379 2.259 1.00 0.00 H new ATOM 0 HG SER A 41 43.937 -57.791 0.691 1.00 0.00 H new ATOM 668 N GLY A 42 42.491 -55.010 2.961 1.00 0.00 N ATOM 669 CA GLY A 42 41.278 -54.389 2.427 1.00 0.00 C ATOM 670 C GLY A 42 40.634 -53.505 3.484 1.00 0.00 C ATOM 671 O GLY A 42 40.053 -54.045 4.452 1.00 0.00 O ATOM 672 OXT GLY A 42 40.705 -52.264 3.355 1.00 0.00 O ATOM 0 H GLY A 42 42.700 -54.793 3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 41.522 -53.796 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 42 40.576 -55.159 2.109 1.00 0.00 H new TER 676 GLY A 42