USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 255 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 9 HIS :FLIP no HD1:sc= -5.98! C(o=-11!,f=-6.6!) USER MOD Set 1.2: A 28 SER OG : rot 89:sc= -0.579 USER MOD Single : A 1 LEU N :NH3+ -139:sc= -3.74! (180deg=-7.11!) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0676) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 137:sc= 0.169 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.39 F(o=-2.6!,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc=-0.00213 (180deg=-0.124) USER MOD Single : A 22 SER OG : rot 180:sc= 0.391 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.013 -1.188 -6.770 1.00 0.00 N ATOM 2 CA LEU A 1 2.362 0.122 -6.542 1.00 0.00 C ATOM 3 C LEU A 1 1.310 0.372 -7.616 1.00 0.00 C ATOM 4 O LEU A 1 1.312 -0.287 -8.657 1.00 0.00 O ATOM 5 CB LEU A 1 3.430 1.224 -6.544 1.00 0.00 C ATOM 6 CG LEU A 1 4.416 1.195 -5.364 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.175 -0.124 -5.324 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.386 2.365 -5.461 1.00 0.00 C ATOM 0 H1 LEU A 1 3.147 -1.672 -5.859 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.413 -1.771 -7.387 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.937 -1.042 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 1 1.861 0.125 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.999 1.153 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.928 2.192 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 1 3.847 1.286 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.866 -0.121 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.469 -0.947 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.734 -0.250 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.079 2.334 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.945 2.298 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.829 3.302 -5.438 1.00 0.00 H new ATOM 22 N PHE A 2 0.404 1.305 -7.358 1.00 0.00 N ATOM 23 CA PHE A 2 -0.662 1.622 -8.297 1.00 0.00 C ATOM 24 C PHE A 2 -1.489 2.799 -7.801 1.00 0.00 C ATOM 25 O PHE A 2 -1.696 3.782 -8.516 1.00 0.00 O ATOM 26 CB PHE A 2 -1.562 0.396 -8.496 1.00 0.00 C ATOM 27 CG PHE A 2 -2.785 0.658 -9.332 1.00 0.00 C ATOM 28 CD1 PHE A 2 -2.676 1.239 -10.586 1.00 0.00 C ATOM 29 CD2 PHE A 2 -4.044 0.322 -8.862 1.00 0.00 C ATOM 30 CE1 PHE A 2 -3.800 1.478 -11.353 1.00 0.00 C ATOM 31 CE2 PHE A 2 -5.171 0.559 -9.625 1.00 0.00 C ATOM 32 CZ PHE A 2 -5.048 1.138 -10.871 1.00 0.00 C ATOM 0 H PHE A 2 0.387 1.858 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 2 -0.211 1.898 -9.250 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.979 -0.397 -8.964 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -1.875 0.027 -7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -1.702 1.508 -10.967 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.146 -0.131 -7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -3.702 1.930 -12.329 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.147 0.291 -9.247 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.928 1.325 -11.469 1.00 0.00 H new ATOM 42 N CYS A 3 -1.954 2.685 -6.575 1.00 0.00 N ATOM 43 CA CYS A 3 -2.765 3.723 -5.950 1.00 0.00 C ATOM 44 C CYS A 3 -1.881 4.843 -5.399 1.00 0.00 C ATOM 45 O CYS A 3 -0.963 5.308 -6.079 1.00 0.00 O ATOM 46 CB CYS A 3 -3.637 3.114 -4.845 1.00 0.00 C ATOM 47 SG CYS A 3 -2.712 2.150 -3.603 1.00 0.00 S ATOM 0 H CYS A 3 -1.784 1.874 -5.980 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.420 4.159 -6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.174 3.916 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.386 2.469 -5.304 1.00 0.00 H new ATOM 52 N LYS A 4 -2.156 5.277 -4.173 1.00 0.00 N ATOM 53 CA LYS A 4 -1.391 6.338 -3.539 1.00 0.00 C ATOM 54 C LYS A 4 0.019 5.865 -3.196 1.00 0.00 C ATOM 55 O LYS A 4 0.340 5.621 -2.031 1.00 0.00 O ATOM 56 CB LYS A 4 -2.113 6.831 -2.286 1.00 0.00 C ATOM 57 CG LYS A 4 -3.428 7.532 -2.588 1.00 0.00 C ATOM 58 CD LYS A 4 -4.080 8.073 -1.326 1.00 0.00 C ATOM 59 CE LYS A 4 -5.311 8.906 -1.649 1.00 0.00 C ATOM 60 NZ LYS A 4 -6.359 8.110 -2.340 1.00 0.00 N ATOM 0 H LYS A 4 -2.911 4.904 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.304 7.166 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.304 5.984 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.460 7.515 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.252 8.350 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.108 6.835 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.360 7.244 -0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.362 8.681 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.720 9.320 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.023 9.749 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.223 8.681 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.020 7.835 -3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.569 7.256 -1.785 1.00 0.00 H new ATOM 74 N GLY A 5 0.849 5.734 -4.218 1.00 0.00 N ATOM 75 CA GLY A 5 2.213 5.290 -4.017 1.00 0.00 C ATOM 76 C GLY A 5 2.270 3.899 -3.430 1.00 0.00 C ATOM 77 O GLY A 5 3.144 3.586 -2.628 1.00 0.00 O ATOM 0 H GLY A 5 0.602 5.928 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.744 5.305 -4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.728 5.986 -3.354 1.00 0.00 H new ATOM 81 N GLY A 6 1.331 3.063 -3.840 1.00 0.00 N ATOM 82 CA GLY A 6 1.273 1.700 -3.357 1.00 0.00 C ATOM 83 C GLY A 6 0.094 0.962 -3.939 1.00 0.00 C ATOM 84 O GLY A 6 -0.378 1.308 -5.019 1.00 0.00 O ATOM 0 H GLY A 6 0.599 3.308 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.195 1.180 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.204 1.700 -2.269 1.00 0.00 H new ATOM 88 N SER A 7 -0.395 -0.033 -3.229 1.00 0.00 N ATOM 89 CA SER A 7 -1.539 -0.802 -3.687 1.00 0.00 C ATOM 90 C SER A 7 -2.499 -1.006 -2.530 1.00 0.00 C ATOM 91 O SER A 7 -2.128 -1.556 -1.495 1.00 0.00 O ATOM 92 CB SER A 7 -1.085 -2.145 -4.258 1.00 0.00 C ATOM 93 OG SER A 7 -2.165 -2.846 -4.855 1.00 0.00 O ATOM 0 H SER A 7 -0.018 -0.331 -2.329 1.00 0.00 H new ATOM 0 HA SER A 7 -2.049 -0.256 -4.481 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.302 -1.981 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.650 -2.752 -3.463 1.00 0.00 H new ATOM 0 HG SER A 7 -1.843 -3.700 -5.212 1.00 0.00 H new ATOM 99 N CYS A 8 -3.718 -0.534 -2.703 1.00 0.00 N ATOM 100 CA CYS A 8 -4.735 -0.631 -1.674 1.00 0.00 C ATOM 101 C CYS A 8 -4.910 -2.072 -1.210 1.00 0.00 C ATOM 102 O CYS A 8 -4.983 -2.992 -2.021 1.00 0.00 O ATOM 103 CB CYS A 8 -6.049 -0.075 -2.213 1.00 0.00 C ATOM 104 SG CYS A 8 -5.830 1.362 -3.313 1.00 0.00 S ATOM 0 H CYS A 8 -4.031 -0.074 -3.558 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.422 -0.045 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.573 -0.862 -2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.685 0.212 -1.375 1.00 0.00 H new ATOM 109 N HIS A 9 -4.954 -2.247 0.103 1.00 0.00 N ATOM 110 CA HIS A 9 -5.100 -3.556 0.730 1.00 0.00 C ATOM 111 C HIS A 9 -6.505 -4.129 0.523 1.00 0.00 C ATOM 112 O HIS A 9 -7.188 -4.490 1.480 1.00 0.00 O ATOM 113 CB HIS A 9 -4.784 -3.439 2.225 1.00 0.00 C ATOM 114 CG HIS A 9 -3.551 -4.172 2.651 1.00 0.00 C ATOM 115 ND1 HIS A 9 -2.285 -3.736 2.835 1.00 0.00 N flip ATOM 116 CD2 HIS A 9 -3.536 -5.519 2.942 1.00 0.00 C flip ATOM 117 CE1 HIS A 9 -1.535 -4.814 3.237 1.00 0.00 C flip ATOM 118 NE2 HIS A 9 -2.315 -5.877 3.293 1.00 0.00 N flip ATOM 0 H HIS A 9 -4.889 -1.478 0.770 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.398 -4.244 0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.673 -2.385 2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.633 -3.817 2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.390 -6.178 2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -0.480 -4.795 3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.024 -6.817 3.562 1.00 0.00 H new ATOM 127 N PHE A 10 -6.927 -4.233 -0.725 1.00 0.00 N ATOM 128 CA PHE A 10 -8.236 -4.788 -1.045 1.00 0.00 C ATOM 129 C PHE A 10 -8.183 -6.311 -1.013 1.00 0.00 C ATOM 130 O PHE A 10 -8.764 -6.990 -1.861 1.00 0.00 O ATOM 131 CB PHE A 10 -8.726 -4.278 -2.406 1.00 0.00 C ATOM 132 CG PHE A 10 -7.627 -4.023 -3.394 1.00 0.00 C ATOM 133 CD1 PHE A 10 -6.793 -5.045 -3.814 1.00 0.00 C ATOM 134 CD2 PHE A 10 -7.426 -2.750 -3.894 1.00 0.00 C ATOM 135 CE1 PHE A 10 -5.778 -4.797 -4.720 1.00 0.00 C ATOM 136 CE2 PHE A 10 -6.415 -2.496 -4.798 1.00 0.00 C ATOM 137 CZ PHE A 10 -5.589 -3.519 -5.211 1.00 0.00 C ATOM 0 H PHE A 10 -6.383 -3.941 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.950 -4.455 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.418 -5.007 -2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.287 -3.356 -2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.936 -6.045 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.069 -1.944 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.134 -5.601 -5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.271 -1.497 -5.181 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.796 -3.322 -5.917 1.00 0.00 H new ATOM 147 N GLY A 11 -7.477 -6.834 -0.023 1.00 0.00 N ATOM 148 CA GLY A 11 -7.341 -8.268 0.128 1.00 0.00 C ATOM 149 C GLY A 11 -6.007 -8.635 0.739 1.00 0.00 C ATOM 150 O GLY A 11 -5.932 -9.443 1.666 1.00 0.00 O ATOM 0 H GLY A 11 -6.991 -6.285 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.147 -8.647 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.442 -8.749 -0.845 1.00 0.00 H new ATOM 154 N GLY A 12 -4.952 -8.028 0.218 1.00 0.00 N ATOM 155 CA GLY A 12 -3.616 -8.285 0.714 1.00 0.00 C ATOM 156 C GLY A 12 -2.583 -7.412 0.034 1.00 0.00 C ATOM 157 O GLY A 12 -2.818 -6.223 -0.182 1.00 0.00 O ATOM 0 H GLY A 12 -4.999 -7.355 -0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.588 -8.110 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.366 -9.334 0.556 1.00 0.00 H new ATOM 161 N CYS A 13 -1.447 -8.002 -0.305 1.00 0.00 N ATOM 162 CA CYS A 13 -0.363 -7.291 -0.966 1.00 0.00 C ATOM 163 C CYS A 13 0.857 -8.204 -1.100 1.00 0.00 C ATOM 164 O CYS A 13 1.192 -8.936 -0.172 1.00 0.00 O ATOM 165 CB CYS A 13 -0.003 -6.009 -0.198 1.00 0.00 C ATOM 166 SG CYS A 13 -0.877 -4.516 -0.797 1.00 0.00 S ATOM 0 H CYS A 13 -1.250 -8.987 -0.130 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.693 -7.001 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.232 -6.153 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.072 -5.843 -0.271 1.00 0.00 H new ATOM 171 N PRO A 14 1.521 -8.192 -2.267 1.00 0.00 N ATOM 172 CA PRO A 14 2.694 -9.039 -2.522 1.00 0.00 C ATOM 173 C PRO A 14 3.744 -8.952 -1.413 1.00 0.00 C ATOM 174 O PRO A 14 4.111 -7.865 -0.972 1.00 0.00 O ATOM 175 CB PRO A 14 3.258 -8.475 -3.828 1.00 0.00 C ATOM 176 CG PRO A 14 2.085 -7.870 -4.519 1.00 0.00 C ATOM 177 CD PRO A 14 1.171 -7.364 -3.436 1.00 0.00 C ATOM 0 HA PRO A 14 2.424 -10.094 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.031 -7.731 -3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.713 -9.259 -4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.397 -7.058 -5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.578 -8.607 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.332 -6.304 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.123 -7.481 -3.710 1.00 0.00 H new ATOM 185 N SER A 15 4.233 -10.107 -0.977 1.00 0.00 N ATOM 186 CA SER A 15 5.246 -10.162 0.066 1.00 0.00 C ATOM 187 C SER A 15 4.784 -9.411 1.315 1.00 0.00 C ATOM 188 O SER A 15 3.674 -9.634 1.806 1.00 0.00 O ATOM 189 CB SER A 15 6.563 -9.589 -0.462 1.00 0.00 C ATOM 190 OG SER A 15 6.937 -10.219 -1.677 1.00 0.00 O ATOM 0 H SER A 15 3.943 -11.018 -1.331 1.00 0.00 H new ATOM 0 HA SER A 15 5.405 -11.203 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.460 -8.516 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.348 -9.727 0.281 1.00 0.00 H new ATOM 0 HG SER A 15 7.262 -9.544 -2.309 1.00 0.00 H new ATOM 196 N HIS A 16 5.639 -8.537 1.831 1.00 0.00 N ATOM 197 CA HIS A 16 5.328 -7.759 3.025 1.00 0.00 C ATOM 198 C HIS A 16 5.399 -6.267 2.725 1.00 0.00 C ATOM 199 O HIS A 16 6.163 -5.532 3.348 1.00 0.00 O ATOM 200 CB HIS A 16 6.292 -8.118 4.161 1.00 0.00 C ATOM 201 CG HIS A 16 6.084 -7.315 5.415 1.00 0.00 C ATOM 202 ND1 HIS A 16 5.190 -6.341 5.714 1.00 0.00 N flip ATOM 203 CD2 HIS A 16 6.860 -7.473 6.542 1.00 0.00 C flip ATOM 204 CE1 HIS A 16 5.444 -5.935 6.999 1.00 0.00 C flip ATOM 205 NE2 HIS A 16 6.455 -6.633 7.476 1.00 0.00 N flip ATOM 0 H HIS A 16 6.561 -8.348 1.438 1.00 0.00 H new ATOM 0 HA HIS A 16 4.312 -8.001 3.338 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.182 -9.176 4.397 1.00 0.00 H new ATOM 0 HB3 HIS A 16 7.315 -7.974 3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.674 -8.175 6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.903 -5.168 7.533 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.856 -6.540 8.409 1.00 0.00 H new ATOM 214 N LEU A 17 4.600 -5.822 1.768 1.00 0.00 N ATOM 215 CA LEU A 17 4.581 -4.414 1.396 1.00 0.00 C ATOM 216 C LEU A 17 4.314 -3.534 2.610 1.00 0.00 C ATOM 217 O LEU A 17 3.318 -3.718 3.311 1.00 0.00 O ATOM 218 CB LEU A 17 3.492 -4.134 0.360 1.00 0.00 C ATOM 219 CG LEU A 17 3.554 -4.930 -0.942 1.00 0.00 C ATOM 220 CD1 LEU A 17 2.603 -4.325 -1.966 1.00 0.00 C ATOM 221 CD2 LEU A 17 4.972 -4.983 -1.492 1.00 0.00 C ATOM 0 H LEU A 17 3.959 -6.411 1.236 1.00 0.00 H new ATOM 0 HA LEU A 17 5.560 -4.184 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.525 -4.321 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.526 -3.073 0.111 1.00 0.00 H new ATOM 0 HG LEU A 17 3.245 -5.954 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.653 -4.898 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.585 -4.351 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.890 -3.292 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.982 -5.557 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.324 -3.970 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.627 -5.460 -0.763 1.00 0.00 H new ATOM 233 N ILE A 18 5.174 -2.557 2.835 1.00 0.00 N ATOM 234 CA ILE A 18 4.990 -1.631 3.936 1.00 0.00 C ATOM 235 C ILE A 18 3.834 -0.696 3.606 1.00 0.00 C ATOM 236 O ILE A 18 3.801 -0.100 2.526 1.00 0.00 O ATOM 237 CB ILE A 18 6.263 -0.800 4.205 1.00 0.00 C ATOM 238 CG1 ILE A 18 7.432 -1.715 4.585 1.00 0.00 C ATOM 239 CG2 ILE A 18 6.009 0.232 5.294 1.00 0.00 C ATOM 240 CD1 ILE A 18 7.176 -2.559 5.817 1.00 0.00 C ATOM 0 H ILE A 18 6.006 -2.385 2.270 1.00 0.00 H new ATOM 0 HA ILE A 18 4.774 -2.208 4.836 1.00 0.00 H new ATOM 0 HB ILE A 18 6.528 -0.270 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.653 -2.374 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.319 -1.104 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.918 0.807 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.209 0.903 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.717 -0.274 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.049 -3.179 6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.985 -1.908 6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.309 -3.198 5.647 1.00 0.00 H new ATOM 252 N LYS A 19 2.881 -0.585 4.517 1.00 0.00 N ATOM 253 CA LYS A 19 1.723 0.265 4.296 1.00 0.00 C ATOM 254 C LYS A 19 2.142 1.710 4.051 1.00 0.00 C ATOM 255 O LYS A 19 2.661 2.382 4.945 1.00 0.00 O ATOM 256 CB LYS A 19 0.761 0.186 5.485 1.00 0.00 C ATOM 257 CG LYS A 19 -0.379 1.194 5.417 1.00 0.00 C ATOM 258 CD LYS A 19 -1.411 0.957 6.513 1.00 0.00 C ATOM 259 CE LYS A 19 -0.815 1.107 7.906 1.00 0.00 C ATOM 260 NZ LYS A 19 -0.287 2.475 8.144 1.00 0.00 N ATOM 0 H LYS A 19 2.886 -1.071 5.414 1.00 0.00 H new ATOM 0 HA LYS A 19 1.209 -0.096 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.343 -0.819 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.322 0.346 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.022 2.203 5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.863 1.130 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.234 1.662 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.830 -0.043 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.576 0.878 8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.012 0.381 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.031 2.579 9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.555 2.630 7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.015 3.176 7.898 1.00 0.00 H new ATOM 274 N VAL A 20 1.898 2.176 2.837 1.00 0.00 N ATOM 275 CA VAL A 20 2.218 3.539 2.448 1.00 0.00 C ATOM 276 C VAL A 20 1.212 4.484 3.078 1.00 0.00 C ATOM 277 O VAL A 20 1.559 5.544 3.605 1.00 0.00 O ATOM 278 CB VAL A 20 2.166 3.714 0.914 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.732 5.063 0.502 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.904 2.583 0.218 1.00 0.00 C ATOM 0 H VAL A 20 1.473 1.621 2.095 1.00 0.00 H new ATOM 0 HA VAL A 20 3.229 3.762 2.790 1.00 0.00 H new ATOM 0 HB VAL A 20 1.121 3.679 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.684 5.162 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.149 5.859 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.770 5.137 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.855 2.726 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.947 2.579 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.441 1.631 0.479 1.00 0.00 H new ATOM 290 N GLY A 21 -0.043 4.074 3.017 1.00 0.00 N ATOM 291 CA GLY A 21 -1.123 4.852 3.572 1.00 0.00 C ATOM 292 C GLY A 21 -2.450 4.160 3.373 1.00 0.00 C ATOM 293 O GLY A 21 -2.513 2.928 3.370 1.00 0.00 O ATOM 0 H GLY A 21 -0.335 3.198 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.950 5.013 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.147 5.834 3.100 1.00 0.00 H new ATOM 297 N SER A 22 -3.502 4.936 3.189 1.00 0.00 N ATOM 298 CA SER A 22 -4.827 4.381 2.978 1.00 0.00 C ATOM 299 C SER A 22 -5.120 4.275 1.482 1.00 0.00 C ATOM 300 O SER A 22 -4.211 4.029 0.688 1.00 0.00 O ATOM 301 CB SER A 22 -5.868 5.254 3.682 1.00 0.00 C ATOM 302 OG SER A 22 -7.115 4.592 3.783 1.00 0.00 O ATOM 0 H SER A 22 -3.465 5.955 3.181 1.00 0.00 H new ATOM 0 HA SER A 22 -4.873 3.378 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.512 5.516 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.993 6.187 3.133 1.00 0.00 H new ATOM 0 HG SER A 22 -7.758 5.174 4.239 1.00 0.00 H new ATOM 308 N CYS A 23 -6.379 4.464 1.107 1.00 0.00 N ATOM 309 CA CYS A 23 -6.784 4.389 -0.291 1.00 0.00 C ATOM 310 C CYS A 23 -8.268 4.698 -0.438 1.00 0.00 C ATOM 311 O CYS A 23 -8.652 5.737 -0.978 1.00 0.00 O ATOM 312 CB CYS A 23 -6.498 2.994 -0.859 1.00 0.00 C ATOM 313 SG CYS A 23 -7.104 2.744 -2.559 1.00 0.00 S ATOM 0 H CYS A 23 -7.140 4.671 1.754 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.208 5.129 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.422 2.819 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.955 2.248 -0.209 1.00 0.00 H new ATOM 318 N PHE A 24 -9.090 3.788 0.057 1.00 0.00 N ATOM 319 CA PHE A 24 -10.536 3.921 0.003 1.00 0.00 C ATOM 320 C PHE A 24 -11.167 2.716 0.686 1.00 0.00 C ATOM 321 O PHE A 24 -10.659 1.599 0.569 1.00 0.00 O ATOM 322 CB PHE A 24 -11.024 4.019 -1.446 1.00 0.00 C ATOM 323 CG PHE A 24 -12.504 4.250 -1.567 1.00 0.00 C ATOM 324 CD1 PHE A 24 -13.110 5.300 -0.894 1.00 0.00 C ATOM 325 CD2 PHE A 24 -13.288 3.417 -2.349 1.00 0.00 C ATOM 326 CE1 PHE A 24 -14.471 5.516 -1.001 1.00 0.00 C ATOM 327 CE2 PHE A 24 -14.649 3.629 -2.458 1.00 0.00 C ATOM 328 CZ PHE A 24 -15.241 4.679 -1.784 1.00 0.00 C ATOM 0 H PHE A 24 -8.771 2.932 0.510 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.829 4.837 0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.496 4.832 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.764 3.100 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -12.512 5.956 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -12.831 2.594 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.931 6.338 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -15.250 2.973 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 24 -16.305 4.845 -1.869 1.00 0.00 H new ATOM 338 N GLY A 25 -12.249 2.936 1.414 1.00 0.00 N ATOM 339 CA GLY A 25 -12.894 1.844 2.113 1.00 0.00 C ATOM 340 C GLY A 25 -11.955 1.202 3.112 1.00 0.00 C ATOM 341 O GLY A 25 -11.953 -0.016 3.295 1.00 0.00 O ATOM 0 H GLY A 25 -12.692 3.847 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.781 2.212 2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.230 1.097 1.394 1.00 0.00 H new ATOM 345 N PHE A 26 -11.152 2.042 3.749 1.00 0.00 N ATOM 346 CA PHE A 26 -10.183 1.596 4.741 1.00 0.00 C ATOM 347 C PHE A 26 -9.199 0.593 4.145 1.00 0.00 C ATOM 348 O PHE A 26 -8.793 -0.368 4.804 1.00 0.00 O ATOM 349 CB PHE A 26 -10.892 1.005 5.961 1.00 0.00 C ATOM 350 CG PHE A 26 -11.750 2.003 6.686 1.00 0.00 C ATOM 351 CD1 PHE A 26 -12.890 2.522 6.091 1.00 0.00 C ATOM 352 CD2 PHE A 26 -11.406 2.438 7.955 1.00 0.00 C ATOM 353 CE1 PHE A 26 -13.670 3.450 6.750 1.00 0.00 C ATOM 354 CE2 PHE A 26 -12.184 3.364 8.620 1.00 0.00 C ATOM 355 CZ PHE A 26 -13.318 3.871 8.017 1.00 0.00 C ATOM 0 H PHE A 26 -11.153 3.050 3.594 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.612 2.466 5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -11.511 0.166 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.146 0.608 6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -13.171 2.196 5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.518 2.048 8.430 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.555 3.847 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.906 3.692 9.611 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.928 4.596 8.535 1.00 0.00 H new ATOM 365 N ARG A 27 -8.801 0.841 2.906 1.00 0.00 N ATOM 366 CA ARG A 27 -7.839 -0.010 2.217 1.00 0.00 C ATOM 367 C ARG A 27 -6.462 0.635 2.276 1.00 0.00 C ATOM 368 O ARG A 27 -6.277 1.752 1.800 1.00 0.00 O ATOM 369 CB ARG A 27 -8.264 -0.227 0.764 1.00 0.00 C ATOM 370 CG ARG A 27 -9.551 -1.024 0.627 1.00 0.00 C ATOM 371 CD ARG A 27 -10.090 -0.998 -0.794 1.00 0.00 C ATOM 372 NE ARG A 27 -11.455 -0.482 -0.842 1.00 0.00 N ATOM 373 CZ ARG A 27 -12.213 -0.467 -1.937 1.00 0.00 C ATOM 374 NH1 ARG A 27 -11.739 -0.941 -3.081 1.00 0.00 N ATOM 375 NH2 ARG A 27 -13.448 0.015 -1.887 1.00 0.00 N ATOM 0 H ARG A 27 -9.132 1.631 2.352 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.802 -0.982 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.392 0.742 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.466 -0.745 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.372 -2.056 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.301 -0.620 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.444 -0.379 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.066 -2.005 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.854 -0.109 0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.792 -1.318 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.321 -0.929 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.820 0.376 -1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.026 0.025 -2.727 1.00 0.00 H new ATOM 389 N SER A 28 -5.510 -0.055 2.878 1.00 0.00 N ATOM 390 CA SER A 28 -4.162 0.473 3.016 1.00 0.00 C ATOM 391 C SER A 28 -3.330 0.250 1.756 1.00 0.00 C ATOM 392 O SER A 28 -3.159 -0.881 1.307 1.00 0.00 O ATOM 393 CB SER A 28 -3.478 -0.168 4.227 1.00 0.00 C ATOM 394 OG SER A 28 -3.632 -1.577 4.220 1.00 0.00 O ATOM 0 H SER A 28 -5.644 -0.983 3.280 1.00 0.00 H new ATOM 0 HA SER A 28 -4.237 1.550 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.418 0.084 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.900 0.241 5.145 1.00 0.00 H new ATOM 0 HG SER A 28 -2.899 -1.984 3.712 1.00 0.00 H new ATOM 400 N CYS A 29 -2.799 1.332 1.198 1.00 0.00 N ATOM 401 CA CYS A 29 -1.968 1.247 0.010 1.00 0.00 C ATOM 402 C CYS A 29 -0.561 0.788 0.392 1.00 0.00 C ATOM 403 O CYS A 29 0.215 1.556 0.954 1.00 0.00 O ATOM 404 CB CYS A 29 -1.923 2.605 -0.698 1.00 0.00 C ATOM 405 SG CYS A 29 -3.330 2.907 -1.821 1.00 0.00 S ATOM 0 H CYS A 29 -2.932 2.279 1.553 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.396 0.517 -0.677 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.896 3.394 0.054 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.996 2.675 -1.267 1.00 0.00 H new ATOM 410 N CYS A 30 -0.254 -0.474 0.116 1.00 0.00 N ATOM 411 CA CYS A 30 1.046 -1.049 0.455 1.00 0.00 C ATOM 412 C CYS A 30 2.097 -0.791 -0.625 1.00 0.00 C ATOM 413 O CYS A 30 1.776 -0.688 -1.811 1.00 0.00 O ATOM 414 CB CYS A 30 0.924 -2.560 0.666 1.00 0.00 C ATOM 415 SG CYS A 30 -0.780 -3.194 0.743 1.00 0.00 S ATOM 0 H CYS A 30 -0.891 -1.124 -0.345 1.00 0.00 H new ATOM 0 HA CYS A 30 1.370 -0.561 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.448 -3.068 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.436 -2.824 1.591 1.00 0.00 H new ATOM 420 N LYS A 31 3.355 -0.733 -0.197 1.00 0.00 N ATOM 421 CA LYS A 31 4.495 -0.541 -1.088 1.00 0.00 C ATOM 422 C LYS A 31 5.622 -1.445 -0.621 1.00 0.00 C ATOM 423 O LYS A 31 5.719 -1.751 0.565 1.00 0.00 O ATOM 424 CB LYS A 31 4.960 0.916 -1.092 1.00 0.00 C ATOM 425 CG LYS A 31 6.163 1.192 -1.981 1.00 0.00 C ATOM 426 CD LYS A 31 6.793 2.544 -1.681 1.00 0.00 C ATOM 427 CE LYS A 31 5.818 3.679 -1.906 1.00 0.00 C ATOM 428 NZ LYS A 31 6.419 5.001 -1.584 1.00 0.00 N ATOM 0 H LYS A 31 3.614 -0.819 0.786 1.00 0.00 H new ATOM 0 HA LYS A 31 4.200 -0.792 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.133 1.547 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.204 1.209 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.906 0.407 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.857 1.158 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.140 2.562 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.669 2.686 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.489 3.674 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.932 3.524 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.718 5.751 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.710 5.016 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.249 5.162 -2.189 1.00 0.00 H new ATOM 442 N TRP A 32 6.454 -1.885 -1.540 1.00 0.00 N ATOM 443 CA TRP A 32 7.556 -2.773 -1.186 1.00 0.00 C ATOM 444 C TRP A 32 8.469 -2.113 -0.161 1.00 0.00 C ATOM 445 O TRP A 32 8.826 -0.946 -0.300 1.00 0.00 O ATOM 446 CB TRP A 32 8.347 -3.175 -2.430 1.00 0.00 C ATOM 447 CG TRP A 32 7.511 -3.897 -3.441 1.00 0.00 C ATOM 448 CD1 TRP A 32 6.550 -3.360 -4.246 1.00 0.00 C ATOM 449 CD2 TRP A 32 7.542 -5.298 -3.731 1.00 0.00 C ATOM 450 NE1 TRP A 32 5.995 -4.338 -5.033 1.00 0.00 N ATOM 451 CE2 TRP A 32 6.585 -5.537 -4.733 1.00 0.00 C ATOM 452 CE3 TRP A 32 8.291 -6.372 -3.244 1.00 0.00 C ATOM 453 CZ2 TRP A 32 6.359 -6.807 -5.258 1.00 0.00 C ATOM 454 CZ3 TRP A 32 8.064 -7.631 -3.764 1.00 0.00 C ATOM 455 CH2 TRP A 32 7.107 -7.839 -4.761 1.00 0.00 C ATOM 0 H TRP A 32 6.396 -1.649 -2.531 1.00 0.00 H new ATOM 0 HA TRP A 32 7.137 -3.676 -0.741 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.773 -2.282 -2.888 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.182 -3.811 -2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.267 -2.318 -4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.262 -4.195 -5.728 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.034 -6.220 -2.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.621 -6.971 -6.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.636 -8.469 -3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.955 -8.836 -5.147 1.00 0.00 H new ATOM 466 N PRO A 33 8.862 -2.845 0.894 1.00 0.00 N ATOM 467 CA PRO A 33 9.735 -2.301 1.934 1.00 0.00 C ATOM 468 C PRO A 33 11.003 -1.714 1.334 1.00 0.00 C ATOM 469 O PRO A 33 11.430 -0.613 1.689 1.00 0.00 O ATOM 470 CB PRO A 33 10.063 -3.518 2.805 1.00 0.00 C ATOM 471 CG PRO A 33 8.938 -4.465 2.575 1.00 0.00 C ATOM 472 CD PRO A 33 8.495 -4.249 1.155 1.00 0.00 C ATOM 0 HA PRO A 33 9.266 -1.490 2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.018 -3.961 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.139 -3.243 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.258 -5.495 2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.121 -4.276 3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.998 -4.930 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.424 -4.413 1.039 1.00 0.00 H new ATOM 480 N TRP A 34 11.588 -2.458 0.412 1.00 0.00 N ATOM 481 CA TRP A 34 12.806 -2.041 -0.264 1.00 0.00 C ATOM 482 C TRP A 34 12.489 -1.082 -1.407 1.00 0.00 C ATOM 483 O TRP A 34 13.081 -1.153 -2.486 1.00 0.00 O ATOM 484 CB TRP A 34 13.548 -3.278 -0.765 1.00 0.00 C ATOM 485 CG TRP A 34 12.699 -4.213 -1.567 1.00 0.00 C ATOM 486 CD1 TRP A 34 11.922 -3.927 -2.656 1.00 0.00 C ATOM 487 CD2 TRP A 34 12.541 -5.601 -1.316 1.00 0.00 C ATOM 488 NE1 TRP A 34 11.301 -5.072 -3.098 1.00 0.00 N ATOM 489 CE2 TRP A 34 11.665 -6.114 -2.284 1.00 0.00 C ATOM 490 CE3 TRP A 34 13.069 -6.452 -0.358 1.00 0.00 C ATOM 491 CZ2 TRP A 34 11.303 -7.458 -2.314 1.00 0.00 C ATOM 492 CZ3 TRP A 34 12.713 -7.785 -0.382 1.00 0.00 C ATOM 493 CH2 TRP A 34 11.836 -8.278 -1.355 1.00 0.00 C ATOM 0 H TRP A 34 11.234 -3.366 0.111 1.00 0.00 H new ATOM 0 HA TRP A 34 13.446 -1.505 0.437 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.395 -2.960 -1.373 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.955 -3.817 0.091 1.00 0.00 H new ATOM 0 HD1 TRP A 34 11.813 -2.949 -3.102 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.673 -5.136 -3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 34 13.748 -6.078 0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.627 -7.840 -3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.117 -8.457 0.360 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.574 -9.326 -1.350 1.00 0.00 H new ATOM 504 N ASN A 35 11.546 -0.190 -1.153 1.00 0.00 N ATOM 505 CA ASN A 35 11.121 0.799 -2.143 1.00 0.00 C ATOM 506 C ASN A 35 12.153 1.911 -2.304 1.00 0.00 C ATOM 507 O ASN A 35 11.813 3.096 -2.299 1.00 0.00 O ATOM 508 CB ASN A 35 9.768 1.402 -1.756 1.00 0.00 C ATOM 509 CG ASN A 35 9.770 2.034 -0.373 1.00 0.00 C ATOM 510 OD1 ASN A 35 10.496 2.992 -0.108 1.00 0.00 O ATOM 511 ND2 ASN A 35 8.958 1.498 0.524 1.00 0.00 N ATOM 0 H ASN A 35 11.053 -0.127 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 35 11.024 0.282 -3.098 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.489 2.155 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.006 0.623 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.920 1.879 1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.370 0.704 0.270 1.00 0.00 H new ATOM 518 N ALA A 36 13.408 1.529 -2.462 1.00 0.00 N ATOM 519 CA ALA A 36 14.485 2.488 -2.638 1.00 0.00 C ATOM 520 C ALA A 36 15.559 1.894 -3.531 1.00 0.00 C ATOM 521 O ALA A 36 15.434 0.703 -3.888 1.00 0.00 O ATOM 522 CB ALA A 36 15.068 2.894 -1.290 1.00 0.00 C ATOM 523 OXT ALA A 36 16.511 2.613 -3.886 1.00 0.00 O ATOM 0 H ALA A 36 13.708 0.554 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 36 14.087 3.384 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.873 3.613 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.288 3.348 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.460 2.012 -0.783 1.00 0.00 H new TER 529 ALA A 36