USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 459 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 14 LYS NZ :NH3+ -159:sc= 1.54 (180deg=0.000918) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0.771 USER MOD Set 2.1: A 13 TYR OH : rot -41:sc= 1.47 USER MOD Set 2.2: A 23 TYR OH : rot -15:sc= 0.965 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 2.26 (180deg=2.11) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.06) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.365 X(o=0.37,f=-0.0083) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.503) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.01) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.15) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.14 K(o=1.1,f=-6.7!) USER MOD Single : A 60 GLN : amide:sc= 1.05 K(o=1.1,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 16.794 -44.598 -7.956 1.00 0.00 N ATOM 101 CA ILE A 6 16.165 -44.561 -9.299 1.00 0.00 C ATOM 102 C ILE A 6 16.268 -45.958 -9.929 1.00 0.00 C ATOM 103 O ILE A 6 15.255 -46.516 -10.350 1.00 0.00 O ATOM 104 CB ILE A 6 16.812 -43.593 -10.353 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.223 -42.224 -9.796 1.00 0.00 C ATOM 106 CG2 ILE A 6 15.845 -43.389 -11.581 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.432 -41.685 -10.564 1.00 0.00 C ATOM 0 HA ILE A 6 15.154 -44.205 -9.102 1.00 0.00 H new ATOM 0 HB ILE A 6 17.733 -44.086 -10.663 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.390 -41.525 -9.876 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.465 -42.311 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 6 16.309 -42.716 -12.302 1.00 0.00 H new ATOM 0 HG22 ILE A 6 15.652 -44.351 -12.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.905 -42.959 -11.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.715 -40.713 -10.161 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.267 -42.378 -10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 6 18.176 -41.580 -11.618 1.00 0.00 H new ATOM 119 N GLU A 7 17.497 -46.509 -9.952 1.00 0.00 N ATOM 120 CA GLU A 7 17.764 -47.843 -10.488 1.00 0.00 C ATOM 121 C GLU A 7 16.980 -48.951 -9.754 1.00 0.00 C ATOM 122 O GLU A 7 16.500 -49.847 -10.430 1.00 0.00 O ATOM 123 CB GLU A 7 19.295 -48.101 -10.453 1.00 0.00 C ATOM 124 CG GLU A 7 19.788 -49.351 -11.254 1.00 0.00 C ATOM 125 CD GLU A 7 19.640 -49.199 -12.771 1.00 0.00 C ATOM 126 OE1 GLU A 7 20.401 -48.435 -13.361 1.00 0.00 O ATOM 127 OE2 GLU A 7 18.780 -49.863 -13.342 1.00 0.00 O ATOM 0 H GLU A 7 18.328 -46.035 -9.598 1.00 0.00 H new ATOM 0 HA GLU A 7 17.412 -47.877 -11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.803 -47.219 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.603 -48.213 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.835 -49.536 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 7 19.227 -50.227 -10.928 1.00 0.00 H new ATOM 134 N GLU A 8 16.805 -48.946 -8.423 1.00 0.00 N ATOM 135 CA GLU A 8 15.923 -49.886 -7.711 1.00 0.00 C ATOM 136 C GLU A 8 14.425 -49.768 -8.057 1.00 0.00 C ATOM 137 O GLU A 8 13.757 -50.807 -8.093 1.00 0.00 O ATOM 138 CB GLU A 8 16.104 -49.713 -6.179 1.00 0.00 C ATOM 139 CG GLU A 8 17.492 -50.194 -5.638 1.00 0.00 C ATOM 140 CD GLU A 8 17.941 -49.512 -4.334 1.00 0.00 C ATOM 141 OE1 GLU A 8 17.122 -48.974 -3.579 1.00 0.00 O ATOM 142 OE2 GLU A 8 19.147 -49.506 -4.076 1.00 0.00 O ATOM 0 H GLU A 8 17.275 -48.284 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 8 16.230 -50.877 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.973 -48.661 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.316 -50.265 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.450 -51.271 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.247 -50.017 -6.404 1.00 0.00 H new ATOM 149 N GLU A 9 13.846 -48.572 -8.260 1.00 0.00 N ATOM 150 CA GLU A 9 12.443 -48.435 -8.690 1.00 0.00 C ATOM 151 C GLU A 9 12.258 -48.569 -10.212 1.00 0.00 C ATOM 152 O GLU A 9 11.351 -49.281 -10.638 1.00 0.00 O ATOM 153 CB GLU A 9 11.836 -47.132 -8.110 1.00 0.00 C ATOM 154 CG GLU A 9 11.855 -47.062 -6.537 1.00 0.00 C ATOM 155 CD GLU A 9 11.092 -48.194 -5.838 1.00 0.00 C ATOM 156 OE1 GLU A 9 9.892 -48.068 -5.588 1.00 0.00 O ATOM 157 OE2 GLU A 9 11.696 -49.224 -5.523 1.00 0.00 O ATOM 0 H GLU A 9 14.330 -47.683 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 9 11.883 -49.275 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.385 -46.279 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.806 -47.038 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.891 -47.077 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.431 -46.108 -6.224 1.00 0.00 H new ATOM 164 N ALA A 10 13.056 -47.912 -11.056 1.00 0.00 N ATOM 165 CA ALA A 10 13.124 -48.207 -12.495 1.00 0.00 C ATOM 166 C ALA A 10 13.872 -49.510 -12.895 1.00 0.00 C ATOM 167 O ALA A 10 14.071 -49.736 -14.088 1.00 0.00 O ATOM 168 CB ALA A 10 13.648 -46.939 -13.202 1.00 0.00 C ATOM 0 H ALA A 10 13.677 -47.157 -10.763 1.00 0.00 H new ATOM 0 HA ALA A 10 12.117 -48.446 -12.837 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.712 -47.121 -14.275 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.966 -46.110 -13.014 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.637 -46.690 -12.817 1.00 0.00 H new ATOM 174 N ALA A 11 14.354 -50.382 -11.995 1.00 0.00 N ATOM 175 CA ALA A 11 14.440 -51.826 -12.271 1.00 0.00 C ATOM 176 C ALA A 11 13.060 -52.504 -12.307 1.00 0.00 C ATOM 177 O ALA A 11 12.792 -53.365 -13.150 1.00 0.00 O ATOM 178 CB ALA A 11 15.322 -52.528 -11.213 1.00 0.00 C ATOM 0 H ALA A 11 14.690 -50.113 -11.070 1.00 0.00 H new ATOM 0 HA ALA A 11 14.889 -51.926 -13.259 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.374 -53.594 -11.433 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.325 -52.103 -11.236 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.889 -52.382 -10.223 1.00 0.00 H new ATOM 184 N LYS A 12 12.153 -52.074 -11.419 1.00 0.00 N ATOM 185 CA LYS A 12 10.829 -52.666 -11.241 1.00 0.00 C ATOM 186 C LYS A 12 9.844 -52.225 -12.350 1.00 0.00 C ATOM 187 O LYS A 12 8.794 -51.628 -12.111 1.00 0.00 O ATOM 188 CB LYS A 12 10.299 -52.295 -9.828 1.00 0.00 C ATOM 189 CG LYS A 12 11.160 -52.799 -8.653 1.00 0.00 C ATOM 190 CD LYS A 12 10.528 -52.406 -7.299 1.00 0.00 C ATOM 191 CE LYS A 12 11.443 -52.705 -6.107 1.00 0.00 C ATOM 192 NZ LYS A 12 12.454 -51.655 -6.005 1.00 0.00 N ATOM 0 H LYS A 12 12.328 -51.288 -10.793 1.00 0.00 H new ATOM 0 HA LYS A 12 10.912 -53.750 -11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.219 -51.210 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.292 -52.696 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.262 -53.883 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.163 -52.380 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.289 -51.343 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.588 -52.943 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.859 -52.755 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.921 -53.676 -6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.036 -51.815 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.060 -51.673 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.987 -50.729 -5.934 1.00 0.00 H new ATOM 206 N TYR A 13 10.200 -52.555 -13.598 1.00 0.00 N ATOM 207 CA TYR A 13 9.340 -52.379 -14.773 1.00 0.00 C ATOM 208 C TYR A 13 8.070 -53.263 -14.751 1.00 0.00 C ATOM 209 O TYR A 13 7.100 -52.985 -15.457 1.00 0.00 O ATOM 210 CB TYR A 13 10.200 -52.599 -16.054 1.00 0.00 C ATOM 211 CG TYR A 13 10.801 -51.288 -16.608 1.00 0.00 C ATOM 212 CD1 TYR A 13 11.467 -50.346 -15.830 1.00 0.00 C ATOM 213 CD2 TYR A 13 10.670 -50.992 -17.958 1.00 0.00 C ATOM 214 CE1 TYR A 13 11.960 -49.177 -16.378 1.00 0.00 C ATOM 215 CE2 TYR A 13 11.162 -49.821 -18.506 1.00 0.00 C ATOM 216 CZ TYR A 13 11.802 -48.908 -17.712 1.00 0.00 C ATOM 217 OH TYR A 13 12.220 -47.724 -18.233 1.00 0.00 O ATOM 0 H TYR A 13 11.109 -52.959 -13.822 1.00 0.00 H new ATOM 0 HA TYR A 13 8.952 -51.361 -14.765 1.00 0.00 H new ATOM 0 HB2 TYR A 13 11.007 -53.296 -15.828 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.584 -53.064 -16.824 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.602 -50.532 -14.775 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.168 -51.699 -18.601 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.476 -48.468 -15.748 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.041 -49.627 -19.562 1.00 0.00 H new ATOM 0 HH TYR A 13 12.001 -46.998 -17.612 1.00 0.00 H new ATOM 227 N LYS A 14 8.087 -54.338 -13.945 1.00 0.00 N ATOM 228 CA LYS A 14 6.897 -55.082 -13.522 1.00 0.00 C ATOM 229 C LYS A 14 5.945 -54.221 -12.657 1.00 0.00 C ATOM 230 O LYS A 14 4.729 -54.233 -12.863 1.00 0.00 O ATOM 231 CB LYS A 14 7.386 -56.339 -12.748 1.00 0.00 C ATOM 232 CG LYS A 14 6.270 -57.345 -12.374 1.00 0.00 C ATOM 233 CD LYS A 14 6.853 -58.545 -11.592 1.00 0.00 C ATOM 234 CE LYS A 14 5.825 -59.615 -11.194 1.00 0.00 C ATOM 235 NZ LYS A 14 4.891 -59.079 -10.208 1.00 0.00 N ATOM 0 H LYS A 14 8.952 -54.720 -13.562 1.00 0.00 H new ATOM 0 HA LYS A 14 6.315 -55.373 -14.396 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.132 -56.854 -13.353 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.885 -56.015 -11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.511 -56.846 -11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.776 -57.700 -13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.628 -59.014 -12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.336 -58.172 -10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.280 -59.951 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.337 -60.486 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.445 -59.863 -9.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.404 -58.470 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.158 -58.521 -10.691 1.00 0.00 H new ATOM 249 N TYR A 15 6.470 -53.431 -11.705 1.00 0.00 N ATOM 250 CA TYR A 15 5.662 -52.530 -10.872 1.00 0.00 C ATOM 251 C TYR A 15 5.610 -51.123 -11.508 1.00 0.00 C ATOM 252 O TYR A 15 6.123 -50.089 -11.046 1.00 0.00 O ATOM 253 CB TYR A 15 6.142 -52.564 -9.394 1.00 0.00 C ATOM 254 CG TYR A 15 6.078 -54.012 -8.873 1.00 0.00 C ATOM 255 CD1 TYR A 15 4.875 -54.695 -8.798 1.00 0.00 C ATOM 256 CD2 TYR A 15 7.229 -54.729 -8.592 1.00 0.00 C ATOM 257 CE1 TYR A 15 4.825 -56.038 -8.489 1.00 0.00 C ATOM 258 CE2 TYR A 15 7.191 -56.073 -8.281 1.00 0.00 C ATOM 259 CZ TYR A 15 5.985 -56.728 -8.247 1.00 0.00 C ATOM 260 OH TYR A 15 5.928 -58.075 -8.047 1.00 0.00 O ATOM 0 H TYR A 15 7.467 -53.401 -11.493 1.00 0.00 H new ATOM 0 HA TYR A 15 4.629 -52.875 -10.837 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.161 -52.184 -9.321 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.515 -51.916 -8.781 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.954 -54.163 -8.986 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.183 -54.222 -8.617 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.873 -56.546 -8.438 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.105 -56.607 -8.066 1.00 0.00 H new ATOM 0 HH TYR A 15 6.831 -58.421 -7.889 1.00 0.00 H new ATOM 270 N ALA A 16 4.872 -51.215 -12.625 1.00 0.00 N ATOM 271 CA ALA A 16 4.707 -50.169 -13.625 1.00 0.00 C ATOM 272 C ALA A 16 4.183 -48.838 -13.073 1.00 0.00 C ATOM 273 O ALA A 16 4.656 -47.789 -13.502 1.00 0.00 O ATOM 274 CB ALA A 16 3.778 -50.720 -14.726 1.00 0.00 C ATOM 0 H ALA A 16 4.354 -52.062 -12.859 1.00 0.00 H new ATOM 0 HA ALA A 16 5.693 -49.923 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.633 -49.960 -15.493 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.229 -51.606 -15.173 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.815 -50.985 -14.290 1.00 0.00 H new ATOM 280 N MET A 17 3.258 -48.881 -12.106 1.00 0.00 N ATOM 281 CA MET A 17 2.733 -47.699 -11.418 1.00 0.00 C ATOM 282 C MET A 17 3.806 -46.920 -10.630 1.00 0.00 C ATOM 283 O MET A 17 3.802 -45.688 -10.631 1.00 0.00 O ATOM 284 CB MET A 17 1.576 -48.117 -10.475 1.00 0.00 C ATOM 285 CG MET A 17 0.337 -48.644 -11.234 1.00 0.00 C ATOM 286 SD MET A 17 -1.003 -49.133 -10.116 1.00 0.00 S ATOM 287 CE MET A 17 -1.983 -47.611 -10.072 1.00 0.00 C ATOM 0 H MET A 17 2.847 -49.754 -11.775 1.00 0.00 H new ATOM 0 HA MET A 17 2.368 -47.021 -12.189 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.932 -48.889 -9.792 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.285 -47.262 -9.865 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.024 -47.872 -11.914 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.626 -49.498 -11.846 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.847 -47.753 -9.423 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.371 -46.795 -9.688 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.322 -47.367 -11.079 1.00 0.00 H new ATOM 297 N LEU A 18 4.760 -47.622 -10.006 1.00 0.00 N ATOM 298 CA LEU A 18 5.781 -47.009 -9.154 1.00 0.00 C ATOM 299 C LEU A 18 6.986 -46.515 -9.963 1.00 0.00 C ATOM 300 O LEU A 18 7.494 -45.412 -9.732 1.00 0.00 O ATOM 301 CB LEU A 18 6.183 -48.005 -8.036 1.00 0.00 C ATOM 302 CG LEU A 18 4.980 -48.501 -7.190 1.00 0.00 C ATOM 303 CD1 LEU A 18 5.451 -49.505 -6.135 1.00 0.00 C ATOM 304 CD2 LEU A 18 4.226 -47.342 -6.516 1.00 0.00 C ATOM 0 H LEU A 18 4.844 -48.636 -10.080 1.00 0.00 H new ATOM 0 HA LEU A 18 5.362 -46.118 -8.686 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.680 -48.864 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.908 -47.527 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 18 4.285 -48.990 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.597 -49.845 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.916 -50.359 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.176 -49.027 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.393 -47.739 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.904 -46.802 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.846 -46.663 -7.279 1.00 0.00 H new ATOM 316 N LYS A 19 7.447 -47.314 -10.931 1.00 0.00 N ATOM 317 CA LYS A 19 8.335 -46.786 -11.967 1.00 0.00 C ATOM 318 C LYS A 19 7.695 -45.677 -12.847 1.00 0.00 C ATOM 319 O LYS A 19 8.421 -44.746 -13.210 1.00 0.00 O ATOM 320 CB LYS A 19 8.897 -48.006 -12.764 1.00 0.00 C ATOM 321 CG LYS A 19 9.111 -47.861 -14.294 1.00 0.00 C ATOM 322 CD LYS A 19 7.881 -48.340 -15.096 1.00 0.00 C ATOM 323 CE LYS A 19 8.002 -48.074 -16.587 1.00 0.00 C ATOM 324 NZ LYS A 19 6.825 -48.649 -17.220 1.00 0.00 N ATOM 0 H LYS A 19 7.226 -48.306 -11.018 1.00 0.00 H new ATOM 0 HA LYS A 19 9.163 -46.248 -11.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.855 -48.278 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.221 -48.846 -12.603 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.317 -46.818 -14.534 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.987 -48.437 -14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.742 -49.409 -14.934 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.990 -47.842 -14.715 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.061 -47.004 -16.784 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.912 -48.522 -16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.869 -48.488 -18.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.794 -49.671 -17.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.970 -48.200 -16.836 1.00 0.00 H new ATOM 338 N LYS A 20 6.401 -45.676 -13.234 1.00 0.00 N ATOM 339 CA LYS A 20 5.814 -44.500 -13.895 1.00 0.00 C ATOM 340 C LYS A 20 5.652 -43.329 -12.899 1.00 0.00 C ATOM 341 O LYS A 20 5.634 -42.187 -13.354 1.00 0.00 O ATOM 342 CB LYS A 20 4.513 -44.815 -14.714 1.00 0.00 C ATOM 343 CG LYS A 20 3.152 -44.806 -13.966 1.00 0.00 C ATOM 344 CD LYS A 20 2.443 -43.435 -13.993 1.00 0.00 C ATOM 345 CE LYS A 20 1.356 -43.330 -12.928 1.00 0.00 C ATOM 346 NZ LYS A 20 1.058 -41.911 -12.788 1.00 0.00 N ATOM 0 H LYS A 20 5.760 -46.458 -13.103 1.00 0.00 H new ATOM 0 HA LYS A 20 6.525 -44.177 -14.655 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.450 -44.093 -15.528 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.636 -45.798 -15.169 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.496 -45.554 -14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.314 -45.102 -12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.178 -42.644 -13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.003 -43.274 -14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.467 -43.887 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.696 -43.751 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.146 -41.794 -12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.808 -41.452 -12.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.007 -41.472 -13.730 1.00 0.00 H new ATOM 360 N CYS A 21 5.524 -43.540 -11.572 1.00 0.00 N ATOM 361 CA CYS A 21 5.661 -42.467 -10.579 1.00 0.00 C ATOM 362 C CYS A 21 7.066 -41.808 -10.589 1.00 0.00 C ATOM 363 O CYS A 21 7.166 -40.578 -10.486 1.00 0.00 O ATOM 364 CB CYS A 21 5.306 -43.058 -9.207 1.00 0.00 C ATOM 365 SG CYS A 21 4.823 -41.833 -7.971 1.00 0.00 S ATOM 0 H CYS A 21 5.324 -44.454 -11.166 1.00 0.00 H new ATOM 0 HA CYS A 21 4.978 -41.654 -10.827 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.491 -43.771 -9.332 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.164 -43.616 -8.832 1.00 0.00 H new ATOM 370 N CYS A 22 8.145 -42.606 -10.760 1.00 0.00 N ATOM 371 CA CYS A 22 9.460 -42.103 -11.214 1.00 0.00 C ATOM 372 C CYS A 22 9.311 -41.226 -12.446 1.00 0.00 C ATOM 373 O CYS A 22 9.663 -40.049 -12.426 1.00 0.00 O ATOM 374 CB CYS A 22 10.505 -43.235 -11.390 1.00 0.00 C ATOM 375 SG CYS A 22 12.219 -42.744 -11.029 1.00 0.00 S ATOM 0 H CYS A 22 8.128 -43.611 -10.588 1.00 0.00 H new ATOM 0 HA CYS A 22 9.862 -41.471 -10.422 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.234 -44.066 -10.739 1.00 0.00 H new ATOM 0 HB3 CYS A 22 10.454 -43.603 -12.415 1.00 0.00 H new ATOM 380 N TYR A 23 8.730 -41.757 -13.501 1.00 0.00 N ATOM 381 CA TYR A 23 8.680 -41.019 -14.749 1.00 0.00 C ATOM 382 C TYR A 23 7.690 -39.817 -14.748 1.00 0.00 C ATOM 383 O TYR A 23 7.850 -38.896 -15.551 1.00 0.00 O ATOM 384 CB TYR A 23 8.591 -42.070 -15.843 1.00 0.00 C ATOM 385 CG TYR A 23 9.735 -43.129 -15.776 1.00 0.00 C ATOM 386 CD1 TYR A 23 10.900 -43.122 -14.963 1.00 0.00 C ATOM 387 CD2 TYR A 23 9.640 -44.137 -16.716 1.00 0.00 C ATOM 388 CE1 TYR A 23 11.901 -44.056 -15.181 1.00 0.00 C ATOM 389 CE2 TYR A 23 10.637 -45.066 -16.916 1.00 0.00 C ATOM 390 CZ TYR A 23 11.773 -45.019 -16.157 1.00 0.00 C ATOM 391 OH TYR A 23 12.769 -45.914 -16.410 1.00 0.00 O ATOM 0 H TYR A 23 8.293 -42.678 -13.523 1.00 0.00 H new ATOM 0 HA TYR A 23 9.580 -40.435 -14.941 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.630 -42.579 -15.771 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.619 -41.576 -16.814 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.006 -42.390 -14.176 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.746 -44.199 -17.319 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.795 -44.028 -14.576 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.522 -45.830 -17.671 1.00 0.00 H new ATOM 0 HH TYR A 23 13.600 -45.606 -15.992 1.00 0.00 H new ATOM 401 N ASP A 24 6.709 -39.771 -13.823 1.00 0.00 N ATOM 402 CA ASP A 24 6.032 -38.537 -13.386 1.00 0.00 C ATOM 403 C ASP A 24 7.001 -37.504 -12.782 1.00 0.00 C ATOM 404 O ASP A 24 6.924 -36.329 -13.140 1.00 0.00 O ATOM 405 CB ASP A 24 4.893 -38.813 -12.353 1.00 0.00 C ATOM 406 CG ASP A 24 3.693 -39.556 -12.940 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.268 -39.251 -14.052 1.00 0.00 O ATOM 408 OD2 ASP A 24 3.133 -40.407 -12.245 1.00 0.00 O ATOM 0 H ASP A 24 6.361 -40.606 -13.352 1.00 0.00 H new ATOM 0 HA ASP A 24 5.599 -38.124 -14.297 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.299 -39.395 -11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.553 -37.864 -11.939 1.00 0.00 H new ATOM 413 N GLY A 25 7.884 -37.929 -11.864 1.00 0.00 N ATOM 414 CA GLY A 25 8.981 -37.089 -11.355 1.00 0.00 C ATOM 415 C GLY A 25 9.970 -36.598 -12.416 1.00 0.00 C ATOM 416 O GLY A 25 10.449 -35.470 -12.313 1.00 0.00 O ATOM 0 H GLY A 25 7.858 -38.863 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.551 -36.222 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.531 -37.654 -10.602 1.00 0.00 H new ATOM 420 N ALA A 26 10.296 -37.436 -13.410 1.00 0.00 N ATOM 421 CA ALA A 26 11.086 -37.027 -14.576 1.00 0.00 C ATOM 422 C ALA A 26 10.370 -35.975 -15.448 1.00 0.00 C ATOM 423 O ALA A 26 10.982 -34.963 -15.804 1.00 0.00 O ATOM 424 CB ALA A 26 11.474 -38.262 -15.410 1.00 0.00 C ATOM 0 H ALA A 26 10.018 -38.417 -13.427 1.00 0.00 H new ATOM 0 HA ALA A 26 11.990 -36.547 -14.201 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.060 -37.948 -16.274 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.065 -38.943 -14.798 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.571 -38.770 -15.750 1.00 0.00 H new ATOM 430 N TYR A 27 9.083 -36.155 -15.790 1.00 0.00 N ATOM 431 CA TYR A 27 8.305 -35.134 -16.506 1.00 0.00 C ATOM 432 C TYR A 27 7.829 -33.965 -15.604 1.00 0.00 C ATOM 433 O TYR A 27 6.634 -33.668 -15.464 1.00 0.00 O ATOM 434 CB TYR A 27 7.133 -35.814 -17.273 1.00 0.00 C ATOM 435 CG TYR A 27 7.643 -36.579 -18.504 1.00 0.00 C ATOM 436 CD1 TYR A 27 7.814 -35.946 -19.725 1.00 0.00 C ATOM 437 CD2 TYR A 27 7.952 -37.926 -18.440 1.00 0.00 C ATOM 438 CE1 TYR A 27 8.274 -36.629 -20.835 1.00 0.00 C ATOM 439 CE2 TYR A 27 8.413 -38.617 -19.543 1.00 0.00 C ATOM 440 CZ TYR A 27 8.573 -37.967 -20.739 1.00 0.00 C ATOM 441 OH TYR A 27 9.027 -38.657 -21.816 1.00 0.00 O ATOM 0 H TYR A 27 8.558 -37.004 -15.580 1.00 0.00 H new ATOM 0 HA TYR A 27 8.970 -34.660 -17.228 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.609 -36.500 -16.607 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.412 -35.058 -17.584 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.582 -34.895 -19.811 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.830 -38.450 -17.504 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.398 -36.113 -21.775 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.647 -39.668 -19.463 1.00 0.00 H new ATOM 0 HH TYR A 27 9.187 -39.590 -21.563 1.00 0.00 H new ATOM 451 N ARG A 28 8.794 -33.238 -15.019 1.00 0.00 N ATOM 452 CA ARG A 28 8.533 -32.070 -14.167 1.00 0.00 C ATOM 453 C ARG A 28 8.444 -30.753 -14.985 1.00 0.00 C ATOM 454 O ARG A 28 8.985 -29.705 -14.620 1.00 0.00 O ATOM 455 CB ARG A 28 9.636 -32.028 -13.074 1.00 0.00 C ATOM 456 CG ARG A 28 9.251 -31.190 -11.828 1.00 0.00 C ATOM 457 CD ARG A 28 10.451 -30.910 -10.916 1.00 0.00 C ATOM 458 NE ARG A 28 11.336 -29.946 -11.570 1.00 0.00 N ATOM 459 CZ ARG A 28 12.453 -29.488 -11.080 1.00 0.00 C ATOM 460 NH1 ARG A 28 13.002 -29.887 -9.995 1.00 0.00 N ATOM 461 NH2 ARG A 28 13.054 -28.578 -11.733 1.00 0.00 N ATOM 0 H ARG A 28 9.786 -33.448 -15.126 1.00 0.00 H new ATOM 0 HA ARG A 28 7.556 -32.164 -13.693 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.862 -33.047 -12.759 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.549 -31.619 -13.508 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.815 -30.244 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.484 -31.718 -11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.111 -30.518 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.990 -31.835 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 28 11.054 -29.603 -12.488 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.561 -30.621 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.880 -29.471 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.659 -28.232 -12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.931 -28.193 -11.382 1.00 0.00 H new ATOM 475 N ASN A 29 7.672 -30.779 -16.085 1.00 0.00 N ATOM 476 CA ASN A 29 7.590 -29.689 -17.070 1.00 0.00 C ATOM 477 C ASN A 29 6.963 -28.385 -16.513 1.00 0.00 C ATOM 478 O ASN A 29 7.125 -27.307 -17.088 1.00 0.00 O ATOM 479 CB ASN A 29 6.789 -30.230 -18.292 1.00 0.00 C ATOM 480 CG ASN A 29 7.078 -29.459 -19.584 1.00 0.00 C ATOM 481 OD1 ASN A 29 7.566 -30.030 -20.549 1.00 0.00 O ATOM 482 ND2 ASN A 29 6.800 -28.175 -19.701 1.00 0.00 N ATOM 0 H ASN A 29 7.077 -31.574 -16.318 1.00 0.00 H new ATOM 0 HA ASN A 29 8.601 -29.400 -17.356 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.031 -31.282 -18.441 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.722 -30.176 -18.074 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.993 -27.689 -20.577 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.392 -27.668 -18.916 1.00 0.00 H new ATOM 489 N ASP A 30 6.205 -28.504 -15.417 1.00 0.00 N ATOM 490 CA ASP A 30 5.726 -27.386 -14.600 1.00 0.00 C ATOM 491 C ASP A 30 6.841 -26.590 -13.879 1.00 0.00 C ATOM 492 O ASP A 30 6.738 -25.371 -13.744 1.00 0.00 O ATOM 493 CB ASP A 30 4.714 -27.962 -13.561 1.00 0.00 C ATOM 494 CG ASP A 30 5.348 -29.052 -12.695 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.405 -30.199 -13.138 1.00 0.00 O ATOM 496 OD2 ASP A 30 5.828 -28.739 -11.610 1.00 0.00 O ATOM 0 H ASP A 30 5.899 -29.411 -15.064 1.00 0.00 H new ATOM 0 HA ASP A 30 5.260 -26.664 -15.271 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.350 -27.157 -12.923 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.849 -28.370 -14.084 1.00 0.00 H new ATOM 501 N ASP A 31 7.889 -27.299 -13.423 1.00 0.00 N ATOM 502 CA ASP A 31 8.942 -26.805 -12.527 1.00 0.00 C ATOM 503 C ASP A 31 8.493 -26.080 -11.231 1.00 0.00 C ATOM 504 O ASP A 31 9.093 -25.076 -10.831 1.00 0.00 O ATOM 505 CB ASP A 31 9.985 -26.001 -13.359 1.00 0.00 C ATOM 506 CG ASP A 31 10.769 -26.924 -14.285 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.637 -27.650 -13.797 1.00 0.00 O ATOM 508 OD2 ASP A 31 10.535 -26.903 -15.494 1.00 0.00 O ATOM 0 H ASP A 31 8.028 -28.276 -13.683 1.00 0.00 H new ATOM 0 HA ASP A 31 9.406 -27.695 -12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.476 -25.236 -13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.671 -25.484 -12.688 1.00 0.00 H new ATOM 513 N GLU A 32 7.432 -26.547 -10.547 1.00 0.00 N ATOM 514 CA GLU A 32 7.183 -26.166 -9.147 1.00 0.00 C ATOM 515 C GLU A 32 8.074 -26.963 -8.153 1.00 0.00 C ATOM 516 O GLU A 32 9.004 -27.676 -8.548 1.00 0.00 O ATOM 517 CB GLU A 32 5.657 -26.244 -8.807 1.00 0.00 C ATOM 518 CG GLU A 32 5.073 -27.686 -8.668 1.00 0.00 C ATOM 519 CD GLU A 32 3.573 -27.713 -8.371 1.00 0.00 C ATOM 520 OE1 GLU A 32 3.185 -27.606 -7.209 1.00 0.00 O ATOM 521 OE2 GLU A 32 2.777 -27.911 -9.288 1.00 0.00 O ATOM 0 H GLU A 32 6.739 -27.184 -10.939 1.00 0.00 H new ATOM 0 HA GLU A 32 7.478 -25.124 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.482 -25.708 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.102 -25.719 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.262 -28.236 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.602 -28.208 -7.871 1.00 0.00 H new ATOM 528 N THR A 33 7.841 -26.862 -6.837 1.00 0.00 N ATOM 529 CA THR A 33 8.458 -27.762 -5.855 1.00 0.00 C ATOM 530 C THR A 33 7.784 -29.149 -5.879 1.00 0.00 C ATOM 531 O THR A 33 6.596 -29.306 -5.576 1.00 0.00 O ATOM 532 CB THR A 33 8.478 -27.139 -4.433 1.00 0.00 C ATOM 533 OG1 THR A 33 7.260 -26.475 -4.138 1.00 0.00 O ATOM 534 CG2 THR A 33 9.565 -26.082 -4.272 1.00 0.00 C ATOM 0 H THR A 33 7.225 -26.160 -6.427 1.00 0.00 H new ATOM 0 HA THR A 33 9.500 -27.904 -6.141 1.00 0.00 H new ATOM 0 HB THR A 33 8.654 -27.982 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.305 -26.096 -3.236 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.534 -25.680 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.541 -26.533 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.399 -25.277 -4.988 1.00 0.00 H new ATOM 542 N CYS A 34 8.566 -30.173 -6.260 1.00 0.00 N ATOM 543 CA CYS A 34 8.053 -31.498 -6.627 1.00 0.00 C ATOM 544 C CYS A 34 7.320 -32.272 -5.517 1.00 0.00 C ATOM 545 O CYS A 34 6.447 -33.084 -5.828 1.00 0.00 O ATOM 546 CB CYS A 34 9.144 -32.366 -7.302 1.00 0.00 C ATOM 547 SG CYS A 34 10.666 -32.708 -6.379 1.00 0.00 S ATOM 0 H CYS A 34 9.582 -30.101 -6.322 1.00 0.00 H new ATOM 0 HA CYS A 34 7.270 -31.281 -7.353 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.692 -33.323 -7.564 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.424 -31.880 -8.236 1.00 0.00 H new ATOM 552 N GLU A 35 7.621 -32.013 -4.238 1.00 0.00 N ATOM 553 CA GLU A 35 6.863 -32.570 -3.112 1.00 0.00 C ATOM 554 C GLU A 35 5.430 -32.013 -2.999 1.00 0.00 C ATOM 555 O GLU A 35 4.572 -32.716 -2.470 1.00 0.00 O ATOM 556 CB GLU A 35 7.616 -32.483 -1.746 1.00 0.00 C ATOM 557 CG GLU A 35 8.168 -31.091 -1.291 1.00 0.00 C ATOM 558 CD GLU A 35 9.458 -30.706 -2.017 1.00 0.00 C ATOM 559 OE1 GLU A 35 10.538 -31.109 -1.578 1.00 0.00 O ATOM 560 OE2 GLU A 35 9.374 -30.065 -3.062 1.00 0.00 O ATOM 0 H GLU A 35 8.396 -31.412 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 35 6.771 -33.629 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.940 -32.842 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.455 -33.177 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.412 -30.327 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.351 -31.110 -0.217 1.00 0.00 H new ATOM 567 N GLU A 36 5.120 -30.805 -3.501 1.00 0.00 N ATOM 568 CA GLU A 36 3.744 -30.289 -3.527 1.00 0.00 C ATOM 569 C GLU A 36 2.923 -30.967 -4.643 1.00 0.00 C ATOM 570 O GLU A 36 1.788 -31.414 -4.425 1.00 0.00 O ATOM 571 CB GLU A 36 3.724 -28.742 -3.688 1.00 0.00 C ATOM 572 CG GLU A 36 4.633 -27.941 -2.702 1.00 0.00 C ATOM 573 CD GLU A 36 4.470 -28.306 -1.225 1.00 0.00 C ATOM 574 OE1 GLU A 36 3.440 -27.978 -0.639 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.400 -28.891 -0.673 1.00 0.00 O ATOM 0 H GLU A 36 5.810 -30.166 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 36 3.282 -30.530 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.024 -28.498 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.697 -28.397 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.674 -28.096 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.424 -26.878 -2.822 1.00 0.00 H new ATOM 582 N ARG A 37 3.534 -31.057 -5.837 1.00 0.00 N ATOM 583 CA ARG A 37 3.015 -31.858 -6.946 1.00 0.00 C ATOM 584 C ARG A 37 2.840 -33.333 -6.541 1.00 0.00 C ATOM 585 O ARG A 37 1.770 -33.900 -6.773 1.00 0.00 O ATOM 586 CB ARG A 37 3.921 -31.684 -8.199 1.00 0.00 C ATOM 587 CG ARG A 37 3.410 -32.488 -9.417 1.00 0.00 C ATOM 588 CD ARG A 37 4.196 -32.273 -10.707 1.00 0.00 C ATOM 589 NE ARG A 37 3.820 -33.361 -11.610 1.00 0.00 N ATOM 590 CZ ARG A 37 4.425 -33.663 -12.722 1.00 0.00 C ATOM 591 NH1 ARG A 37 5.171 -32.872 -13.393 1.00 0.00 N ATOM 592 NH2 ARG A 37 4.207 -34.808 -13.231 1.00 0.00 N ATOM 0 H ARG A 37 4.405 -30.572 -6.055 1.00 0.00 H new ATOM 0 HA ARG A 37 2.020 -31.497 -7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.973 -30.627 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.935 -32.003 -7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.432 -33.549 -9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.368 -32.224 -9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.960 -31.304 -11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.269 -32.283 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 37 3.016 -33.931 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.330 -31.920 -13.064 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.607 -33.193 -14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.573 -35.460 -12.768 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.666 -35.075 -14.102 1.00 0.00 H new ATOM 606 N ALA A 38 3.839 -33.975 -5.921 1.00 0.00 N ATOM 607 CA ALA A 38 3.676 -35.334 -5.416 1.00 0.00 C ATOM 608 C ALA A 38 2.911 -35.510 -4.090 1.00 0.00 C ATOM 609 O ALA A 38 2.598 -36.650 -3.748 1.00 0.00 O ATOM 610 CB ALA A 38 4.985 -36.094 -5.525 1.00 0.00 C ATOM 0 H ALA A 38 4.762 -33.573 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 38 2.957 -35.810 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.850 -37.107 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.295 -36.136 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.751 -35.585 -4.939 1.00 0.00 H new ATOM 616 N ALA A 39 2.589 -34.453 -3.327 1.00 0.00 N ATOM 617 CA ALA A 39 1.442 -34.466 -2.412 1.00 0.00 C ATOM 618 C ALA A 39 0.092 -34.616 -3.146 1.00 0.00 C ATOM 619 O ALA A 39 -0.822 -35.233 -2.598 1.00 0.00 O ATOM 620 CB ALA A 39 1.451 -33.194 -1.542 1.00 0.00 C ATOM 0 H ALA A 39 3.111 -33.577 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 39 1.545 -35.344 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.597 -33.210 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.373 -33.156 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.389 -32.314 -2.183 1.00 0.00 H new ATOM 626 N ARG A 40 -0.073 -34.046 -4.355 1.00 0.00 N ATOM 627 CA ARG A 40 -1.198 -34.413 -5.235 1.00 0.00 C ATOM 628 C ARG A 40 -1.107 -35.847 -5.822 1.00 0.00 C ATOM 629 O ARG A 40 -2.138 -36.515 -5.891 1.00 0.00 O ATOM 630 CB ARG A 40 -1.431 -33.356 -6.360 1.00 0.00 C ATOM 631 CG ARG A 40 -2.098 -32.032 -5.882 1.00 0.00 C ATOM 632 CD ARG A 40 -1.152 -30.824 -5.772 1.00 0.00 C ATOM 633 NE ARG A 40 -0.772 -30.371 -7.114 1.00 0.00 N ATOM 634 CZ ARG A 40 0.177 -29.517 -7.393 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.914 -28.957 -6.508 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.419 -29.253 -8.618 1.00 0.00 N ATOM 0 H ARG A 40 0.551 -33.337 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.071 -34.416 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.472 -33.118 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.055 -33.802 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.904 -31.780 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.555 -32.205 -4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.641 -30.015 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.262 -31.097 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.295 -30.757 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.776 -29.170 -5.520 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.639 -28.298 -6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.123 -29.705 -9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.155 -28.590 -8.861 1.00 0.00 H new ATOM 650 N ILE A 41 0.053 -36.337 -6.303 1.00 0.00 N ATOM 651 CA ILE A 41 0.270 -37.752 -6.672 1.00 0.00 C ATOM 652 C ILE A 41 0.099 -38.793 -5.549 1.00 0.00 C ATOM 653 O ILE A 41 -0.726 -39.677 -5.755 1.00 0.00 O ATOM 654 CB ILE A 41 1.601 -37.949 -7.509 1.00 0.00 C ATOM 655 CG1 ILE A 41 1.424 -37.357 -8.919 1.00 0.00 C ATOM 656 CG2 ILE A 41 2.203 -39.341 -7.620 1.00 0.00 C ATOM 657 CD1 ILE A 41 2.175 -36.052 -8.985 1.00 0.00 C ATOM 0 H ILE A 41 0.877 -35.754 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.573 -37.980 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 41 2.335 -37.416 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.801 -38.050 -9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.367 -37.198 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.108 -39.299 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.449 -39.711 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.484 -40.012 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.061 -35.617 -9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.776 -35.364 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.232 -36.230 -8.786 1.00 0.00 H new ATOM 669 N LYS A 42 0.812 -38.699 -4.412 1.00 0.00 N ATOM 670 CA LYS A 42 0.915 -39.621 -3.262 1.00 0.00 C ATOM 671 C LYS A 42 -0.085 -40.799 -3.165 1.00 0.00 C ATOM 672 O LYS A 42 -1.010 -40.907 -2.355 1.00 0.00 O ATOM 673 CB LYS A 42 0.886 -38.733 -1.985 1.00 0.00 C ATOM 674 CG LYS A 42 1.380 -39.433 -0.699 1.00 0.00 C ATOM 675 CD LYS A 42 1.359 -38.461 0.492 1.00 0.00 C ATOM 676 CE LYS A 42 1.856 -39.136 1.765 1.00 0.00 C ATOM 677 NZ LYS A 42 1.787 -38.154 2.836 1.00 0.00 N ATOM 0 H LYS A 42 1.399 -37.879 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 42 1.846 -40.171 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.500 -37.849 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.135 -38.386 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.748 -40.295 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.392 -39.809 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.983 -37.595 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.345 -38.092 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.243 -40.006 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.878 -39.492 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.120 -38.583 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.388 -37.339 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.804 -37.837 2.953 1.00 0.00 H new ATOM 691 N ILE A 43 0.176 -41.669 -4.140 1.00 0.00 N ATOM 692 CA ILE A 43 -0.368 -43.034 -4.189 1.00 0.00 C ATOM 693 C ILE A 43 0.291 -43.923 -3.112 1.00 0.00 C ATOM 694 O ILE A 43 -0.392 -44.684 -2.423 1.00 0.00 O ATOM 695 CB ILE A 43 -0.220 -43.635 -5.636 1.00 0.00 C ATOM 696 CG1 ILE A 43 -1.013 -42.795 -6.678 1.00 0.00 C ATOM 697 CG2 ILE A 43 -0.700 -45.113 -5.710 1.00 0.00 C ATOM 698 CD1 ILE A 43 -0.586 -43.027 -8.146 1.00 0.00 C ATOM 0 H ILE A 43 0.780 -41.446 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.434 -42.999 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 43 0.844 -43.602 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.074 -43.026 -6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.894 -41.738 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.579 -45.484 -6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.107 -45.723 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.751 -45.169 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.190 -42.402 -8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.466 -42.768 -8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.733 -44.075 -8.406 1.00 0.00 H new ATOM 710 N GLY A 44 1.617 -43.810 -2.936 1.00 0.00 N ATOM 711 CA GLY A 44 2.339 -44.595 -1.925 1.00 0.00 C ATOM 712 C GLY A 44 3.740 -44.072 -1.535 1.00 0.00 C ATOM 713 O GLY A 44 4.292 -43.250 -2.278 1.00 0.00 O ATOM 0 H GLY A 44 2.209 -43.183 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.727 -44.642 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.443 -45.616 -2.293 1.00 0.00 H new ATOM 717 N PRO A 45 4.359 -44.515 -0.407 1.00 0.00 N ATOM 718 CA PRO A 45 5.739 -44.169 0.001 1.00 0.00 C ATOM 719 C PRO A 45 6.833 -44.427 -1.056 1.00 0.00 C ATOM 720 O PRO A 45 7.678 -43.565 -1.313 1.00 0.00 O ATOM 721 CB PRO A 45 5.976 -45.039 1.249 1.00 0.00 C ATOM 722 CG PRO A 45 4.596 -45.103 1.859 1.00 0.00 C ATOM 723 CD PRO A 45 3.711 -45.324 0.637 1.00 0.00 C ATOM 0 HA PRO A 45 5.816 -43.095 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.353 -46.028 0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.701 -44.589 1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.507 -45.917 2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.341 -44.183 2.385 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.666 -46.377 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.687 -44.999 0.819 1.00 0.00 H new ATOM 731 N LYS A 46 6.797 -45.617 -1.676 1.00 0.00 N ATOM 732 CA LYS A 46 7.679 -45.989 -2.786 1.00 0.00 C ATOM 733 C LYS A 46 7.465 -45.128 -4.046 1.00 0.00 C ATOM 734 O LYS A 46 8.422 -44.857 -4.773 1.00 0.00 O ATOM 735 CB LYS A 46 7.490 -47.486 -3.122 1.00 0.00 C ATOM 736 CG LYS A 46 7.986 -48.423 -1.998 1.00 0.00 C ATOM 737 CD LYS A 46 7.774 -49.930 -2.289 1.00 0.00 C ATOM 738 CE LYS A 46 8.887 -50.637 -3.083 1.00 0.00 C ATOM 739 NZ LYS A 46 8.827 -50.311 -4.504 1.00 0.00 N ATOM 0 H LYS A 46 6.144 -46.356 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 46 8.702 -45.804 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.434 -47.680 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.026 -47.717 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.048 -48.242 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.470 -48.167 -1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.651 -50.448 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.839 -50.044 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.859 -50.347 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.798 -51.716 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.342 -51.033 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.834 -50.287 -4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.262 -49.380 -4.665 1.00 0.00 H new ATOM 753 N CYS A 47 6.218 -44.677 -4.268 1.00 0.00 N ATOM 754 CA CYS A 47 5.856 -43.747 -5.338 1.00 0.00 C ATOM 755 C CYS A 47 6.512 -42.378 -5.082 1.00 0.00 C ATOM 756 O CYS A 47 7.313 -41.967 -5.924 1.00 0.00 O ATOM 757 CB CYS A 47 4.308 -43.649 -5.411 1.00 0.00 C ATOM 758 SG CYS A 47 3.498 -42.825 -6.813 1.00 0.00 S ATOM 0 H CYS A 47 5.422 -44.957 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 47 6.222 -44.105 -6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.919 -44.667 -5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.975 -43.143 -4.505 1.00 0.00 H new ATOM 763 N VAL A 48 6.231 -41.672 -3.963 1.00 0.00 N ATOM 764 CA VAL A 48 6.973 -40.452 -3.593 1.00 0.00 C ATOM 765 C VAL A 48 8.509 -40.586 -3.623 1.00 0.00 C ATOM 766 O VAL A 48 9.184 -39.648 -4.049 1.00 0.00 O ATOM 767 CB VAL A 48 6.553 -39.795 -2.229 1.00 0.00 C ATOM 768 CG1 VAL A 48 6.008 -38.398 -2.482 1.00 0.00 C ATOM 769 CG2 VAL A 48 5.489 -40.526 -1.422 1.00 0.00 C ATOM 0 H VAL A 48 5.496 -41.928 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 48 6.669 -39.784 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 48 7.471 -39.819 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.717 -37.944 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.777 -37.788 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.139 -38.460 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.286 -39.975 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.574 -40.601 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.844 -41.526 -1.173 1.00 0.00 H new ATOM 779 N LYS A 49 9.074 -41.724 -3.183 1.00 0.00 N ATOM 780 CA LYS A 49 10.514 -41.989 -3.316 1.00 0.00 C ATOM 781 C LYS A 49 10.999 -42.108 -4.783 1.00 0.00 C ATOM 782 O LYS A 49 11.939 -41.391 -5.144 1.00 0.00 O ATOM 783 CB LYS A 49 10.912 -43.230 -2.474 1.00 0.00 C ATOM 784 CG LYS A 49 12.430 -43.303 -2.171 1.00 0.00 C ATOM 785 CD LYS A 49 12.875 -42.277 -1.095 1.00 0.00 C ATOM 786 CE LYS A 49 14.392 -42.133 -0.975 1.00 0.00 C ATOM 787 NZ LYS A 49 14.894 -41.417 -2.143 1.00 0.00 N ATOM 0 H LYS A 49 8.552 -42.475 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 49 11.030 -41.113 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.361 -43.214 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.611 -44.133 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.681 -44.309 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.989 -43.125 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.444 -41.304 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.470 -42.578 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.648 -41.593 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.859 -43.115 -0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.892 -41.165 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.812 -42.024 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.336 -40.551 -2.285 1.00 0.00 H new ATOM 801 N ALA A 50 10.378 -42.955 -5.634 1.00 0.00 N ATOM 802 CA ALA A 50 10.626 -43.008 -7.089 1.00 0.00 C ATOM 803 C ALA A 50 10.509 -41.595 -7.714 1.00 0.00 C ATOM 804 O ALA A 50 11.435 -41.130 -8.385 1.00 0.00 O ATOM 805 CB ALA A 50 9.598 -44.003 -7.709 1.00 0.00 C ATOM 0 H ALA A 50 9.680 -43.631 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 50 11.638 -43.355 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.755 -44.065 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.733 -44.989 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.586 -43.651 -7.510 1.00 0.00 H new ATOM 811 N PHE A 51 9.413 -40.885 -7.382 1.00 0.00 N ATOM 812 CA PHE A 51 9.162 -39.496 -7.781 1.00 0.00 C ATOM 813 C PHE A 51 10.306 -38.552 -7.362 1.00 0.00 C ATOM 814 O PHE A 51 10.812 -37.828 -8.218 1.00 0.00 O ATOM 815 CB PHE A 51 7.823 -39.036 -7.124 1.00 0.00 C ATOM 816 CG PHE A 51 7.144 -37.865 -7.847 1.00 0.00 C ATOM 817 CD1 PHE A 51 7.704 -36.597 -7.917 1.00 0.00 C ATOM 818 CD2 PHE A 51 5.963 -38.064 -8.541 1.00 0.00 C ATOM 819 CE1 PHE A 51 7.126 -35.594 -8.675 1.00 0.00 C ATOM 820 CE2 PHE A 51 5.396 -37.080 -9.297 1.00 0.00 C ATOM 821 CZ PHE A 51 5.971 -35.835 -9.380 1.00 0.00 C ATOM 0 H PHE A 51 8.662 -41.276 -6.814 1.00 0.00 H new ATOM 0 HA PHE A 51 9.099 -39.451 -8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.135 -39.881 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.017 -38.748 -6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.610 -36.389 -7.368 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.476 -39.026 -8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.585 -34.617 -8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.483 -37.282 -9.837 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.524 -35.061 -9.987 1.00 0.00 H new ATOM 831 N LYS A 52 10.722 -38.538 -6.084 1.00 0.00 N ATOM 832 CA LYS A 52 11.820 -37.695 -5.599 1.00 0.00 C ATOM 833 C LYS A 52 13.191 -37.957 -6.257 1.00 0.00 C ATOM 834 O LYS A 52 13.914 -37.004 -6.565 1.00 0.00 O ATOM 835 CB LYS A 52 11.959 -37.837 -4.054 1.00 0.00 C ATOM 836 CG LYS A 52 11.205 -36.768 -3.240 1.00 0.00 C ATOM 837 CD LYS A 52 11.931 -35.407 -3.277 1.00 0.00 C ATOM 838 CE LYS A 52 11.206 -34.381 -2.427 1.00 0.00 C ATOM 839 NZ LYS A 52 11.896 -33.108 -2.588 1.00 0.00 N ATOM 0 H LYS A 52 10.301 -39.116 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 52 11.542 -36.680 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.597 -38.822 -3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.016 -37.795 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.196 -36.653 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.106 -37.100 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.953 -35.526 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.995 -35.053 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.165 -34.294 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.202 -34.685 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.508 -32.416 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.911 -33.238 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.761 -32.761 -3.559 1.00 0.00 H new ATOM 853 N ASP A 53 13.571 -39.226 -6.477 1.00 0.00 N ATOM 854 CA ASP A 53 14.842 -39.551 -7.137 1.00 0.00 C ATOM 855 C ASP A 53 14.865 -39.164 -8.638 1.00 0.00 C ATOM 856 O ASP A 53 15.848 -38.603 -9.155 1.00 0.00 O ATOM 857 CB ASP A 53 15.174 -41.043 -6.866 1.00 0.00 C ATOM 858 CG ASP A 53 15.453 -41.289 -5.383 1.00 0.00 C ATOM 859 OD1 ASP A 53 16.313 -40.623 -4.813 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.814 -42.142 -4.767 1.00 0.00 O ATOM 0 H ASP A 53 13.017 -40.039 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 53 15.636 -38.940 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.342 -41.668 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.042 -41.338 -7.455 1.00 0.00 H new ATOM 865 N CYS A 54 13.765 -39.434 -9.350 1.00 0.00 N ATOM 866 CA CYS A 54 13.556 -38.861 -10.678 1.00 0.00 C ATOM 867 C CYS A 54 13.348 -37.320 -10.701 1.00 0.00 C ATOM 868 O CYS A 54 13.695 -36.709 -11.713 1.00 0.00 O ATOM 869 CB CYS A 54 12.435 -39.622 -11.391 1.00 0.00 C ATOM 870 SG CYS A 54 12.859 -41.204 -12.183 1.00 0.00 S ATOM 0 H CYS A 54 13.012 -40.042 -9.029 1.00 0.00 H new ATOM 0 HA CYS A 54 14.487 -38.992 -11.230 1.00 0.00 H new ATOM 0 HB2 CYS A 54 11.644 -39.811 -10.665 1.00 0.00 H new ATOM 0 HB3 CYS A 54 12.017 -38.966 -12.154 1.00 0.00 H new ATOM 875 N CYS A 55 12.795 -36.651 -9.665 1.00 0.00 N ATOM 876 CA CYS A 55 12.850 -35.182 -9.496 1.00 0.00 C ATOM 877 C CYS A 55 14.296 -34.645 -9.429 1.00 0.00 C ATOM 878 O CYS A 55 14.597 -33.607 -10.026 1.00 0.00 O ATOM 879 CB CYS A 55 12.047 -34.748 -8.231 1.00 0.00 C ATOM 880 SG CYS A 55 12.032 -32.971 -7.846 1.00 0.00 S ATOM 0 H CYS A 55 12.292 -37.122 -8.913 1.00 0.00 H new ATOM 0 HA CYS A 55 12.390 -34.743 -10.381 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.016 -35.079 -8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.453 -35.280 -7.371 1.00 0.00 H new ATOM 885 N TYR A 56 15.191 -35.343 -8.710 1.00 0.00 N ATOM 886 CA TYR A 56 16.639 -35.118 -8.788 1.00 0.00 C ATOM 887 C TYR A 56 17.173 -35.222 -10.237 1.00 0.00 C ATOM 888 O TYR A 56 17.903 -34.320 -10.659 1.00 0.00 O ATOM 889 CB TYR A 56 17.328 -36.086 -7.776 1.00 0.00 C ATOM 890 CG TYR A 56 18.823 -36.324 -8.047 1.00 0.00 C ATOM 891 CD1 TYR A 56 19.779 -35.339 -7.858 1.00 0.00 C ATOM 892 CD2 TYR A 56 19.256 -37.551 -8.518 1.00 0.00 C ATOM 893 CE1 TYR A 56 21.113 -35.568 -8.136 1.00 0.00 C ATOM 894 CE2 TYR A 56 20.586 -37.788 -8.797 1.00 0.00 C ATOM 895 CZ TYR A 56 21.513 -36.796 -8.606 1.00 0.00 C ATOM 896 OH TYR A 56 22.818 -37.041 -8.896 1.00 0.00 O ATOM 0 H TYR A 56 14.927 -36.081 -8.057 1.00 0.00 H new ATOM 0 HA TYR A 56 16.883 -34.095 -8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.213 -35.683 -6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 56 16.810 -37.045 -7.797 1.00 0.00 H new ATOM 0 HD1 TYR A 56 19.475 -34.372 -7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.536 -38.341 -8.671 1.00 0.00 H new ATOM 0 HE1 TYR A 56 21.840 -34.784 -7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 56 20.897 -38.754 -9.166 1.00 0.00 H new ATOM 0 HH TYR A 56 22.915 -37.963 -9.215 1.00 0.00 H new ATOM 906 N ILE A 57 16.821 -36.266 -11.012 1.00 0.00 N ATOM 907 CA ILE A 57 17.101 -36.286 -12.467 1.00 0.00 C ATOM 908 C ILE A 57 16.510 -35.108 -13.258 1.00 0.00 C ATOM 909 O ILE A 57 17.235 -34.478 -14.031 1.00 0.00 O ATOM 910 CB ILE A 57 16.686 -37.656 -13.112 1.00 0.00 C ATOM 911 CG1 ILE A 57 17.471 -38.851 -12.534 1.00 0.00 C ATOM 912 CG2 ILE A 57 16.733 -37.728 -14.664 1.00 0.00 C ATOM 913 CD1 ILE A 57 18.997 -38.632 -12.492 1.00 0.00 C ATOM 0 H ILE A 57 16.347 -37.099 -10.663 1.00 0.00 H new ATOM 0 HA ILE A 57 18.182 -36.166 -12.540 1.00 0.00 H new ATOM 0 HB ILE A 57 15.634 -37.723 -12.833 1.00 0.00 H new ATOM 0 HG12 ILE A 57 17.115 -39.053 -11.524 1.00 0.00 H new ATOM 0 HG13 ILE A 57 17.257 -39.737 -13.131 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.426 -38.721 -14.992 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.057 -36.982 -15.083 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.749 -37.531 -15.007 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.480 -39.515 -12.073 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.368 -38.460 -13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.223 -37.766 -11.870 1.00 0.00 H new ATOM 925 N ALA A 58 15.223 -34.813 -13.069 1.00 0.00 N ATOM 926 CA ALA A 58 14.557 -33.649 -13.675 1.00 0.00 C ATOM 927 C ALA A 58 15.263 -32.308 -13.383 1.00 0.00 C ATOM 928 O ALA A 58 15.433 -31.480 -14.284 1.00 0.00 O ATOM 929 CB ALA A 58 13.108 -33.579 -13.186 1.00 0.00 C ATOM 0 H ALA A 58 14.604 -35.377 -12.487 1.00 0.00 H new ATOM 0 HA ALA A 58 14.600 -33.794 -14.754 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.614 -32.717 -13.634 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.582 -34.489 -13.474 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.095 -33.481 -12.101 1.00 0.00 H new ATOM 935 N ASN A 59 15.689 -32.100 -12.128 1.00 0.00 N ATOM 936 CA ASN A 59 16.497 -30.942 -11.745 1.00 0.00 C ATOM 937 C ASN A 59 17.915 -30.950 -12.358 1.00 0.00 C ATOM 938 O ASN A 59 18.418 -29.874 -12.689 1.00 0.00 O ATOM 939 CB ASN A 59 16.546 -30.836 -10.201 1.00 0.00 C ATOM 940 CG ASN A 59 16.489 -29.370 -9.784 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.419 -28.847 -9.486 1.00 0.00 O ATOM 942 ND2 ASN A 59 17.594 -28.651 -9.768 1.00 0.00 N ATOM 0 H ASN A 59 15.481 -32.731 -11.354 1.00 0.00 H new ATOM 0 HA ASN A 59 16.014 -30.056 -12.157 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.710 -31.381 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.459 -31.296 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.557 -27.665 -9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.486 -29.081 -10.015 1.00 0.00 H new ATOM 949 N GLN A 60 18.583 -32.110 -12.505 1.00 0.00 N ATOM 950 CA GLN A 60 19.818 -32.220 -13.297 1.00 0.00 C ATOM 951 C GLN A 60 19.601 -31.934 -14.796 1.00 0.00 C ATOM 952 O GLN A 60 20.421 -31.239 -15.398 1.00 0.00 O ATOM 953 CB GLN A 60 20.489 -33.611 -13.132 1.00 0.00 C ATOM 954 CG GLN A 60 21.022 -33.942 -11.709 1.00 0.00 C ATOM 955 CD GLN A 60 22.114 -32.999 -11.191 1.00 0.00 C ATOM 956 OE1 GLN A 60 22.202 -32.773 -9.990 1.00 0.00 O ATOM 957 NE2 GLN A 60 23.005 -32.410 -11.968 1.00 0.00 N ATOM 0 H GLN A 60 18.284 -32.988 -12.082 1.00 0.00 H new ATOM 0 HA GLN A 60 20.481 -31.451 -12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.768 -34.377 -13.416 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.319 -33.678 -13.835 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.185 -33.923 -11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.413 -34.960 -11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.981 -32.561 -12.976 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.717 -31.804 -11.560 1.00 0.00 H new ATOM 966 N VAL A 61 18.521 -32.445 -15.411 1.00 0.00 N ATOM 967 CA VAL A 61 18.134 -32.106 -16.792 1.00 0.00 C ATOM 968 C VAL A 61 17.850 -30.598 -16.972 1.00 0.00 C ATOM 969 O VAL A 61 18.204 -30.042 -18.014 1.00 0.00 O ATOM 970 CB VAL A 61 16.940 -33.008 -17.261 1.00 0.00 C ATOM 971 CG1 VAL A 61 16.350 -32.652 -18.646 1.00 0.00 C ATOM 972 CG2 VAL A 61 17.369 -34.488 -17.342 1.00 0.00 C ATOM 0 H VAL A 61 17.889 -33.108 -14.962 1.00 0.00 H new ATOM 0 HA VAL A 61 18.984 -32.319 -17.441 1.00 0.00 H new ATOM 0 HB VAL A 61 16.174 -32.829 -16.506 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.531 -33.333 -18.878 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.977 -31.628 -18.630 1.00 0.00 H new ATOM 0 HG13 VAL A 61 17.125 -32.744 -19.406 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.524 -35.094 -17.669 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.187 -34.591 -18.054 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.699 -34.826 -16.359 1.00 0.00 H new ATOM 982 N ARG A 62 17.209 -29.916 -16.007 1.00 0.00 N ATOM 983 CA ARG A 62 17.150 -28.449 -15.983 1.00 0.00 C ATOM 984 C ARG A 62 18.486 -27.735 -15.690 1.00 0.00 C ATOM 985 O ARG A 62 18.706 -26.664 -16.259 1.00 0.00 O ATOM 986 CB ARG A 62 16.035 -27.951 -15.028 1.00 0.00 C ATOM 987 CG ARG A 62 14.607 -28.007 -15.624 1.00 0.00 C ATOM 988 CD ARG A 62 14.370 -26.993 -16.759 1.00 0.00 C ATOM 989 NE ARG A 62 12.941 -26.981 -17.047 1.00 0.00 N ATOM 990 CZ ARG A 62 12.373 -26.706 -18.185 1.00 0.00 C ATOM 991 NH1 ARG A 62 12.965 -26.510 -19.306 1.00 0.00 N ATOM 992 NH2 ARG A 62 11.101 -26.650 -18.151 1.00 0.00 N ATOM 0 H ARG A 62 16.722 -30.363 -15.230 1.00 0.00 H new ATOM 0 HA ARG A 62 16.907 -28.170 -17.008 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.059 -28.550 -14.118 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.254 -26.923 -14.739 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.420 -29.012 -16.002 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.884 -27.825 -14.829 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.709 -26.000 -16.463 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.937 -27.272 -17.647 1.00 0.00 H new ATOM 0 HE ARG A 62 12.319 -27.213 -16.273 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.982 -26.564 -19.362 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.419 -26.300 -20.141 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.606 -26.815 -17.274 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.577 -26.440 -19.000 1.00 0.00 H new ATOM 1006 N ALA A 63 19.372 -28.242 -14.816 1.00 0.00 N ATOM 1007 CA ALA A 63 20.720 -27.686 -14.644 1.00 0.00 C ATOM 1008 C ALA A 63 21.642 -27.917 -15.862 1.00 0.00 C ATOM 1009 O ALA A 63 22.272 -26.968 -16.335 1.00 0.00 O ATOM 1010 CB ALA A 63 21.342 -28.250 -13.352 1.00 0.00 C ATOM 0 H ALA A 63 19.174 -29.042 -14.215 1.00 0.00 H new ATOM 0 HA ALA A 63 20.620 -26.604 -14.563 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.343 -27.839 -13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.722 -27.974 -12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.401 -29.336 -13.421 1.00 0.00 H new ATOM 1016 N GLU A 64 21.729 -29.135 -16.419 1.00 0.00 N ATOM 1017 CA GLU A 64 22.503 -29.404 -17.638 1.00 0.00 C ATOM 1018 C GLU A 64 21.705 -29.063 -18.925 1.00 0.00 C ATOM 1019 O GLU A 64 21.503 -29.890 -19.819 1.00 0.00 O ATOM 1020 CB GLU A 64 23.016 -30.880 -17.632 1.00 0.00 C ATOM 1021 CG GLU A 64 24.207 -31.188 -16.665 1.00 0.00 C ATOM 1022 CD GLU A 64 23.827 -31.275 -15.183 1.00 0.00 C ATOM 1023 OE1 GLU A 64 23.366 -32.331 -14.747 1.00 0.00 O ATOM 1024 OE2 GLU A 64 24.035 -30.305 -14.460 1.00 0.00 O ATOM 0 H GLU A 64 21.265 -29.959 -16.037 1.00 0.00 H new ATOM 0 HA GLU A 64 23.371 -28.744 -17.644 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.183 -31.532 -17.370 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.320 -31.142 -18.645 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.665 -32.131 -16.964 1.00 0.00 H new ATOM 0 HG3 GLU A 64 24.964 -30.414 -16.786 1.00 0.00 H new