USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=13 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 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -161:sc= 0.239 (180deg=0.131) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 2.08 (180deg=1.91) USER MOD Single : A 14 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00711) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.17) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.18 K(o=1.2,f=-0.021) USER MOD Single : A 33 THR OG1 : rot 1:sc= 1.16 USER MOD Single : A 42 LYS NZ :NH3+ 145:sc= 2.22 (180deg=0.514!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 1.02 (180deg=0.705) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 1.17 (180deg=1.01) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 3.27 K(o=3.3,f=-5.7!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.351 -50.142 7.358 1.00 0.00 N ATOM 101 CA ILE A 6 17.384 -50.778 6.015 1.00 0.00 C ATOM 102 C ILE A 6 17.836 -52.243 6.156 1.00 0.00 C ATOM 103 O ILE A 6 17.157 -53.157 5.684 1.00 0.00 O ATOM 104 CB ILE A 6 18.387 -50.169 4.968 1.00 0.00 C ATOM 105 CG1 ILE A 6 18.478 -48.641 4.962 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.058 -50.688 3.521 1.00 0.00 C ATOM 107 CD1 ILE A 6 19.876 -48.208 4.511 1.00 0.00 C ATOM 0 HA ILE A 6 16.369 -50.626 5.647 1.00 0.00 H new ATOM 0 HB ILE A 6 19.368 -50.519 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.725 -48.225 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 6 18.270 -48.251 5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.763 -50.256 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.139 -51.775 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.044 -50.394 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.937 -47.120 4.508 1.00 0.00 H new ATOM 0 HD12 ILE A 6 20.621 -48.611 5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.067 -48.585 3.506 1.00 0.00 H new ATOM 119 N GLU A 7 18.991 -52.419 6.827 1.00 0.00 N ATOM 120 CA GLU A 7 19.604 -53.727 7.057 1.00 0.00 C ATOM 121 C GLU A 7 18.681 -54.681 7.825 1.00 0.00 C ATOM 122 O GLU A 7 18.682 -55.858 7.496 1.00 0.00 O ATOM 123 CB GLU A 7 20.960 -53.586 7.791 1.00 0.00 C ATOM 124 CG GLU A 7 22.026 -52.805 6.966 1.00 0.00 C ATOM 125 CD GLU A 7 23.329 -52.603 7.742 1.00 0.00 C ATOM 126 OE1 GLU A 7 23.389 -51.695 8.569 1.00 0.00 O ATOM 127 OE2 GLU A 7 24.272 -53.350 7.496 1.00 0.00 O ATOM 0 H GLU A 7 19.524 -51.646 7.225 1.00 0.00 H new ATOM 0 HA GLU A 7 19.779 -54.164 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.800 -53.076 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.345 -54.579 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 7 22.236 -53.346 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.621 -51.834 6.681 1.00 0.00 H new ATOM 134 N GLU A 8 17.902 -54.232 8.821 1.00 0.00 N ATOM 135 CA GLU A 8 16.826 -55.026 9.419 1.00 0.00 C ATOM 136 C GLU A 8 15.705 -55.450 8.453 1.00 0.00 C ATOM 137 O GLU A 8 15.466 -56.653 8.341 1.00 0.00 O ATOM 138 CB GLU A 8 16.196 -54.262 10.603 1.00 0.00 C ATOM 139 CG GLU A 8 16.857 -54.561 11.974 1.00 0.00 C ATOM 140 CD GLU A 8 15.916 -54.169 13.113 1.00 0.00 C ATOM 141 OE1 GLU A 8 14.909 -54.861 13.295 1.00 0.00 O ATOM 142 OE2 GLU A 8 16.190 -53.168 13.781 1.00 0.00 O ATOM 0 H GLU A 8 18.004 -53.305 9.233 1.00 0.00 H new ATOM 0 HA GLU A 8 17.312 -55.946 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.261 -53.192 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.137 -54.512 10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.102 -55.621 12.044 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.794 -54.011 12.061 1.00 0.00 H new ATOM 149 N GLU A 9 15.001 -54.535 7.767 1.00 0.00 N ATOM 150 CA GLU A 9 13.865 -54.906 6.905 1.00 0.00 C ATOM 151 C GLU A 9 14.274 -55.622 5.611 1.00 0.00 C ATOM 152 O GLU A 9 13.615 -56.588 5.228 1.00 0.00 O ATOM 153 CB GLU A 9 12.929 -53.689 6.702 1.00 0.00 C ATOM 154 CG GLU A 9 11.874 -53.547 7.859 1.00 0.00 C ATOM 155 CD GLU A 9 12.474 -53.400 9.264 1.00 0.00 C ATOM 156 OE1 GLU A 9 12.880 -52.293 9.619 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.517 -54.386 10.006 1.00 0.00 O ATOM 0 H GLU A 9 15.197 -53.534 7.792 1.00 0.00 H new ATOM 0 HA GLU A 9 13.286 -55.669 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.527 -52.779 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.409 -53.789 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.247 -52.679 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.223 -54.421 7.847 1.00 0.00 H new ATOM 164 N ALA A 10 15.326 -55.179 4.920 1.00 0.00 N ATOM 165 CA ALA A 10 16.003 -56.005 3.909 1.00 0.00 C ATOM 166 C ALA A 10 16.856 -57.192 4.440 1.00 0.00 C ATOM 167 O ALA A 10 17.392 -57.926 3.609 1.00 0.00 O ATOM 168 CB ALA A 10 16.761 -55.053 2.960 1.00 0.00 C ATOM 0 H ALA A 10 15.731 -54.251 5.040 1.00 0.00 H new ATOM 0 HA ALA A 10 15.237 -56.554 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.276 -55.635 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.053 -54.374 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.490 -54.476 3.529 1.00 0.00 H new ATOM 174 N ALA A 11 17.088 -57.448 5.741 1.00 0.00 N ATOM 175 CA ALA A 11 17.364 -58.812 6.230 1.00 0.00 C ATOM 176 C ALA A 11 16.092 -59.658 6.406 1.00 0.00 C ATOM 177 O ALA A 11 16.091 -60.838 6.042 1.00 0.00 O ATOM 178 CB ALA A 11 18.159 -58.815 7.550 1.00 0.00 C ATOM 0 H ALA A 11 17.090 -56.733 6.469 1.00 0.00 H new ATOM 0 HA ALA A 11 17.973 -59.267 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.335 -59.843 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.115 -58.312 7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.590 -58.292 8.319 1.00 0.00 H new ATOM 184 N LYS A 12 14.999 -59.095 6.952 1.00 0.00 N ATOM 185 CA LYS A 12 13.716 -59.791 7.135 1.00 0.00 C ATOM 186 C LYS A 12 12.983 -60.085 5.799 1.00 0.00 C ATOM 187 O LYS A 12 11.832 -59.707 5.571 1.00 0.00 O ATOM 188 CB LYS A 12 12.790 -58.991 8.099 1.00 0.00 C ATOM 189 CG LYS A 12 13.304 -58.772 9.539 1.00 0.00 C ATOM 190 CD LYS A 12 12.226 -58.042 10.383 1.00 0.00 C ATOM 191 CE LYS A 12 12.719 -57.489 11.727 1.00 0.00 C ATOM 192 NZ LYS A 12 13.544 -56.317 11.458 1.00 0.00 N ATOM 0 H LYS A 12 14.984 -58.130 7.283 1.00 0.00 H new ATOM 0 HA LYS A 12 13.952 -60.758 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.600 -58.014 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.832 -59.507 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.548 -59.731 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.222 -58.185 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.822 -57.218 9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.404 -58.733 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.874 -57.222 12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.294 -58.245 12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.946 -55.963 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.315 -56.576 10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.961 -55.574 11.023 1.00 0.00 H new ATOM 206 N TYR A 13 13.667 -60.838 4.929 1.00 0.00 N ATOM 207 CA TYR A 13 13.178 -61.327 3.634 1.00 0.00 C ATOM 208 C TYR A 13 11.925 -62.233 3.698 1.00 0.00 C ATOM 209 O TYR A 13 11.309 -62.517 2.670 1.00 0.00 O ATOM 210 CB TYR A 13 14.367 -62.060 2.944 1.00 0.00 C ATOM 211 CG TYR A 13 15.050 -61.223 1.845 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.429 -59.891 1.992 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.324 -61.820 0.624 1.00 0.00 C ATOM 214 CE1 TYR A 13 16.046 -59.207 0.961 1.00 0.00 C ATOM 215 CE2 TYR A 13 15.938 -61.140 -0.407 1.00 0.00 C ATOM 216 CZ TYR A 13 16.292 -59.827 -0.236 1.00 0.00 C ATOM 217 OH TYR A 13 16.852 -59.128 -1.256 1.00 0.00 O ATOM 0 H TYR A 13 14.623 -61.138 5.118 1.00 0.00 H new ATOM 0 HA TYR A 13 12.836 -60.465 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.107 -62.327 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 13 14.006 -62.992 2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.238 -59.384 2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.047 -62.853 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.336 -58.176 1.100 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.139 -61.639 -1.343 1.00 0.00 H new ATOM 0 HH TYR A 13 16.960 -59.714 -2.034 1.00 0.00 H new ATOM 227 N LYS A 14 11.556 -62.707 4.898 1.00 0.00 N ATOM 228 CA LYS A 14 10.229 -63.256 5.196 1.00 0.00 C ATOM 229 C LYS A 14 9.107 -62.216 4.988 1.00 0.00 C ATOM 230 O LYS A 14 8.025 -62.540 4.493 1.00 0.00 O ATOM 231 CB LYS A 14 10.207 -63.766 6.661 1.00 0.00 C ATOM 232 CG LYS A 14 11.187 -64.932 6.917 1.00 0.00 C ATOM 233 CD LYS A 14 11.145 -65.378 8.394 1.00 0.00 C ATOM 234 CE LYS A 14 12.157 -66.479 8.739 1.00 0.00 C ATOM 235 NZ LYS A 14 11.764 -67.723 8.090 1.00 0.00 N ATOM 0 H LYS A 14 12.185 -62.719 5.701 1.00 0.00 H new ATOM 0 HA LYS A 14 10.042 -64.077 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.453 -62.941 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.196 -64.089 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.933 -65.773 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.199 -64.625 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.333 -64.513 9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.142 -65.734 8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.155 -66.186 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.204 -66.619 9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.431 -68.477 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.806 -67.987 8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.774 -67.594 7.058 1.00 0.00 H new ATOM 249 N TYR A 15 9.370 -60.944 5.323 1.00 0.00 N ATOM 250 CA TYR A 15 8.458 -59.833 5.059 1.00 0.00 C ATOM 251 C TYR A 15 8.798 -59.174 3.704 1.00 0.00 C ATOM 252 O TYR A 15 9.208 -58.011 3.574 1.00 0.00 O ATOM 253 CB TYR A 15 8.511 -58.839 6.243 1.00 0.00 C ATOM 254 CG TYR A 15 7.911 -59.444 7.521 1.00 0.00 C ATOM 255 CD1 TYR A 15 6.573 -59.796 7.596 1.00 0.00 C ATOM 256 CD2 TYR A 15 8.681 -59.638 8.654 1.00 0.00 C ATOM 257 CE1 TYR A 15 6.024 -60.313 8.753 1.00 0.00 C ATOM 258 CE2 TYR A 15 8.142 -60.154 9.815 1.00 0.00 C ATOM 259 CZ TYR A 15 6.814 -60.489 9.863 1.00 0.00 C ATOM 260 OH TYR A 15 6.294 -60.981 11.016 1.00 0.00 O ATOM 0 H TYR A 15 10.232 -60.660 5.789 1.00 0.00 H new ATOM 0 HA TYR A 15 7.433 -60.194 4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.545 -58.549 6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.968 -57.931 5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.944 -59.663 6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.729 -59.379 8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.977 -60.578 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.766 -60.294 10.685 1.00 0.00 H new ATOM 0 HH TYR A 15 6.999 -61.039 11.694 1.00 0.00 H new ATOM 270 N ALA A 16 8.540 -60.011 2.689 1.00 0.00 N ATOM 271 CA ALA A 16 8.877 -59.767 1.288 1.00 0.00 C ATOM 272 C ALA A 16 8.284 -58.468 0.713 1.00 0.00 C ATOM 273 O ALA A 16 8.988 -57.705 0.053 1.00 0.00 O ATOM 274 CB ALA A 16 8.423 -60.996 0.474 1.00 0.00 C ATOM 0 H ALA A 16 8.074 -60.907 2.831 1.00 0.00 H new ATOM 0 HA ALA A 16 9.956 -59.625 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.662 -60.844 -0.579 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.939 -61.884 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.347 -61.130 0.587 1.00 0.00 H new ATOM 280 N MET A 17 7.011 -58.196 1.025 1.00 0.00 N ATOM 281 CA MET A 17 6.318 -56.963 0.647 1.00 0.00 C ATOM 282 C MET A 17 6.894 -55.704 1.326 1.00 0.00 C ATOM 283 O MET A 17 6.877 -54.624 0.736 1.00 0.00 O ATOM 284 CB MET A 17 4.810 -57.100 0.974 1.00 0.00 C ATOM 285 CG MET A 17 4.097 -58.172 0.119 1.00 0.00 C ATOM 286 SD MET A 17 2.342 -58.338 0.536 1.00 0.00 S ATOM 287 CE MET A 17 1.593 -57.214 -0.671 1.00 0.00 C ATOM 0 H MET A 17 6.425 -58.840 1.557 1.00 0.00 H new ATOM 0 HA MET A 17 6.467 -56.829 -0.424 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.695 -57.350 2.029 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.322 -56.138 0.819 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.194 -57.914 -0.936 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.593 -59.133 0.259 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.511 -57.208 -0.540 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.983 -56.207 -0.521 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.834 -57.550 -1.680 1.00 0.00 H new ATOM 297 N LEU A 18 7.453 -55.829 2.539 1.00 0.00 N ATOM 298 CA LEU A 18 7.940 -54.690 3.319 1.00 0.00 C ATOM 299 C LEU A 18 9.393 -54.326 2.973 1.00 0.00 C ATOM 300 O LEU A 18 9.726 -53.138 2.904 1.00 0.00 O ATOM 301 CB LEU A 18 7.724 -54.953 4.833 1.00 0.00 C ATOM 302 CG LEU A 18 6.258 -55.315 5.208 1.00 0.00 C ATOM 303 CD1 LEU A 18 6.133 -55.569 6.714 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.252 -54.225 4.804 1.00 0.00 C ATOM 0 H LEU A 18 7.579 -56.728 3.005 1.00 0.00 H new ATOM 0 HA LEU A 18 7.355 -53.811 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.380 -55.765 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.023 -54.066 5.392 1.00 0.00 H new ATOM 0 HG LEU A 18 6.018 -56.220 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.100 -55.821 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.784 -56.395 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.425 -54.672 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.247 -54.533 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.504 -53.292 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.292 -54.075 3.725 1.00 0.00 H new ATOM 316 N LYS A 19 10.278 -55.306 2.737 1.00 0.00 N ATOM 317 CA LYS A 19 11.523 -55.010 2.022 1.00 0.00 C ATOM 318 C LYS A 19 11.289 -54.586 0.550 1.00 0.00 C ATOM 319 O LYS A 19 12.071 -53.790 0.032 1.00 0.00 O ATOM 320 CB LYS A 19 12.521 -56.191 2.141 1.00 0.00 C ATOM 321 CG LYS A 19 12.199 -57.493 1.365 1.00 0.00 C ATOM 322 CD LYS A 19 12.895 -57.551 -0.013 1.00 0.00 C ATOM 323 CE LYS A 19 12.581 -58.832 -0.769 1.00 0.00 C ATOM 324 NZ LYS A 19 13.428 -58.828 -1.952 1.00 0.00 N ATOM 0 H LYS A 19 10.160 -56.279 3.021 1.00 0.00 H new ATOM 0 HA LYS A 19 11.972 -54.143 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.498 -55.838 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.614 -56.445 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.508 -58.352 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.121 -57.572 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.583 -56.694 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.973 -57.469 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.781 -59.707 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.527 -58.872 -1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.044 -59.490 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.456 -57.870 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.391 -59.122 -1.691 1.00 0.00 H new ATOM 338 N LYS A 20 10.271 -55.076 -0.182 1.00 0.00 N ATOM 339 CA LYS A 20 9.899 -54.508 -1.485 1.00 0.00 C ATOM 340 C LYS A 20 9.323 -53.071 -1.360 1.00 0.00 C ATOM 341 O LYS A 20 9.444 -52.291 -2.313 1.00 0.00 O ATOM 342 CB LYS A 20 8.916 -55.482 -2.199 1.00 0.00 C ATOM 343 CG LYS A 20 8.353 -55.049 -3.573 1.00 0.00 C ATOM 344 CD LYS A 20 9.399 -54.968 -4.714 1.00 0.00 C ATOM 345 CE LYS A 20 9.127 -53.768 -5.624 1.00 0.00 C ATOM 346 NZ LYS A 20 9.659 -52.573 -4.976 1.00 0.00 N ATOM 0 H LYS A 20 9.693 -55.864 0.110 1.00 0.00 H new ATOM 0 HA LYS A 20 10.797 -54.404 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.425 -56.437 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.073 -55.659 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.572 -55.750 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.880 -54.073 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.400 -54.887 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.374 -55.886 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.597 -53.914 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.057 -53.660 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.220 -51.727 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.448 -52.607 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.689 -52.532 -5.115 1.00 0.00 H new ATOM 360 N CYS A 21 8.681 -52.699 -0.237 1.00 0.00 N ATOM 361 CA CYS A 21 8.381 -51.302 0.113 1.00 0.00 C ATOM 362 C CYS A 21 9.651 -50.437 0.325 1.00 0.00 C ATOM 363 O CYS A 21 9.689 -49.295 -0.149 1.00 0.00 O ATOM 364 CB CYS A 21 7.483 -51.318 1.364 1.00 0.00 C ATOM 365 SG CYS A 21 6.495 -49.826 1.621 1.00 0.00 S ATOM 0 H CYS A 21 8.353 -53.369 0.459 1.00 0.00 H new ATOM 0 HA CYS A 21 7.865 -50.829 -0.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.810 -52.173 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.111 -51.474 2.241 1.00 0.00 H new ATOM 370 N CYS A 22 10.702 -50.973 0.988 1.00 0.00 N ATOM 371 CA CYS A 22 12.081 -50.442 0.892 1.00 0.00 C ATOM 372 C CYS A 22 12.470 -50.199 -0.556 1.00 0.00 C ATOM 373 O CYS A 22 12.760 -49.073 -0.952 1.00 0.00 O ATOM 374 CB CYS A 22 13.100 -51.320 1.660 1.00 0.00 C ATOM 375 SG CYS A 22 14.517 -50.422 2.363 1.00 0.00 S ATOM 0 H CYS A 22 10.618 -51.783 1.602 1.00 0.00 H new ATOM 0 HA CYS A 22 12.103 -49.472 1.389 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.578 -51.833 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.476 -52.089 0.984 1.00 0.00 H new ATOM 380 N TYR A 23 12.396 -51.229 -1.373 1.00 0.00 N ATOM 381 CA TYR A 23 12.871 -51.120 -2.738 1.00 0.00 C ATOM 382 C TYR A 23 11.967 -50.257 -3.660 1.00 0.00 C ATOM 383 O TYR A 23 12.439 -49.718 -4.664 1.00 0.00 O ATOM 384 CB TYR A 23 13.231 -52.539 -3.155 1.00 0.00 C ATOM 385 CG TYR A 23 14.268 -53.208 -2.204 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.984 -52.611 -1.134 1.00 0.00 C ATOM 387 CD2 TYR A 23 14.610 -54.506 -2.535 1.00 0.00 C ATOM 388 CE1 TYR A 23 16.020 -53.296 -0.526 1.00 0.00 C ATOM 389 CE2 TYR A 23 15.638 -55.183 -1.913 1.00 0.00 C ATOM 390 CZ TYR A 23 16.350 -54.570 -0.920 1.00 0.00 C ATOM 391 OH TYR A 23 17.390 -55.228 -0.352 1.00 0.00 O ATOM 0 H TYR A 23 12.016 -52.141 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 23 13.772 -50.515 -2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.325 -53.145 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.633 -52.523 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.719 -51.621 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 23 14.051 -55.009 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.577 -52.823 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.879 -56.193 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 23 17.474 -56.117 -0.755 1.00 0.00 H new ATOM 401 N ASP A 24 10.682 -50.072 -3.298 1.00 0.00 N ATOM 402 CA ASP A 24 9.813 -49.001 -3.809 1.00 0.00 C ATOM 403 C ASP A 24 10.340 -47.595 -3.462 1.00 0.00 C ATOM 404 O ASP A 24 10.234 -46.695 -4.296 1.00 0.00 O ATOM 405 CB ASP A 24 8.358 -49.192 -3.268 1.00 0.00 C ATOM 406 CG ASP A 24 7.301 -48.405 -4.051 1.00 0.00 C ATOM 407 OD1 ASP A 24 7.480 -48.124 -5.240 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.290 -48.071 -3.445 1.00 0.00 O ATOM 0 H ASP A 24 10.212 -50.679 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 24 9.810 -49.074 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.105 -50.252 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.326 -48.886 -2.222 1.00 0.00 H new ATOM 413 N GLY A 25 10.857 -47.389 -2.242 1.00 0.00 N ATOM 414 CA GLY A 25 11.626 -46.184 -1.895 1.00 0.00 C ATOM 415 C GLY A 25 12.986 -46.058 -2.599 1.00 0.00 C ATOM 416 O GLY A 25 13.353 -44.953 -2.993 1.00 0.00 O ATOM 0 H GLY A 25 10.755 -48.049 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.026 -45.306 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.789 -46.173 -0.817 1.00 0.00 H new ATOM 420 N ALA A 26 13.744 -47.157 -2.742 1.00 0.00 N ATOM 421 CA ALA A 26 15.047 -47.165 -3.423 1.00 0.00 C ATOM 422 C ALA A 26 14.996 -46.829 -4.926 1.00 0.00 C ATOM 423 O ALA A 26 15.858 -46.079 -5.392 1.00 0.00 O ATOM 424 CB ALA A 26 15.757 -48.519 -3.230 1.00 0.00 C ATOM 0 H ALA A 26 13.467 -48.072 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 26 15.610 -46.361 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.719 -48.502 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.916 -48.698 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.139 -49.316 -3.644 1.00 0.00 H new ATOM 430 N TYR A 27 14.035 -47.341 -5.714 1.00 0.00 N ATOM 431 CA TYR A 27 13.913 -46.991 -7.140 1.00 0.00 C ATOM 432 C TYR A 27 13.381 -45.557 -7.418 1.00 0.00 C ATOM 433 O TYR A 27 12.416 -45.346 -8.161 1.00 0.00 O ATOM 434 CB TYR A 27 13.078 -48.085 -7.868 1.00 0.00 C ATOM 435 CG TYR A 27 13.910 -49.353 -8.119 1.00 0.00 C ATOM 436 CD1 TYR A 27 14.663 -49.501 -9.272 1.00 0.00 C ATOM 437 CD2 TYR A 27 13.940 -50.393 -7.207 1.00 0.00 C ATOM 438 CE1 TYR A 27 15.413 -50.638 -9.506 1.00 0.00 C ATOM 439 CE2 TYR A 27 14.686 -51.533 -7.430 1.00 0.00 C ATOM 440 CZ TYR A 27 15.422 -51.653 -8.580 1.00 0.00 C ATOM 441 OH TYR A 27 16.150 -52.779 -8.789 1.00 0.00 O ATOM 0 H TYR A 27 13.329 -48.001 -5.386 1.00 0.00 H new ATOM 0 HA TYR A 27 14.923 -46.968 -7.548 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.203 -48.335 -7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.713 -47.694 -8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 27 14.664 -48.709 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.365 -50.311 -6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 27 15.990 -50.728 -10.414 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.690 -52.329 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 27 16.037 -53.387 -8.029 1.00 0.00 H new ATOM 451 N ARG A 28 14.058 -44.545 -6.851 1.00 0.00 N ATOM 452 CA ARG A 28 13.704 -43.125 -6.978 1.00 0.00 C ATOM 453 C ARG A 28 14.917 -42.177 -7.075 1.00 0.00 C ATOM 454 O ARG A 28 16.061 -42.547 -6.801 1.00 0.00 O ATOM 455 CB ARG A 28 12.822 -42.686 -5.768 1.00 0.00 C ATOM 456 CG ARG A 28 11.318 -43.012 -5.892 1.00 0.00 C ATOM 457 CD ARG A 28 10.578 -42.311 -7.050 1.00 0.00 C ATOM 458 NE ARG A 28 10.624 -40.868 -6.824 1.00 0.00 N ATOM 459 CZ ARG A 28 10.337 -39.939 -7.686 1.00 0.00 C ATOM 460 NH1 ARG A 28 9.990 -40.133 -8.901 1.00 0.00 N ATOM 461 NH2 ARG A 28 10.433 -38.752 -7.248 1.00 0.00 N ATOM 0 H ARG A 28 14.887 -44.698 -6.277 1.00 0.00 H new ATOM 0 HA ARG A 28 13.160 -43.042 -7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.207 -43.164 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.933 -41.610 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.207 -44.090 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.828 -42.744 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.044 -42.560 -8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.545 -42.654 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 28 10.911 -40.559 -5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.920 -41.083 -9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.783 -39.338 -9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.718 -38.586 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.225 -37.964 -7.861 1.00 0.00 H new ATOM 475 N ASN A 29 14.637 -40.924 -7.469 1.00 0.00 N ATOM 476 CA ASN A 29 15.650 -39.872 -7.577 1.00 0.00 C ATOM 477 C ASN A 29 15.061 -38.479 -7.259 1.00 0.00 C ATOM 478 O ASN A 29 15.222 -37.988 -6.143 1.00 0.00 O ATOM 479 CB ASN A 29 16.314 -39.952 -8.991 1.00 0.00 C ATOM 480 CG ASN A 29 17.540 -39.045 -9.102 1.00 0.00 C ATOM 481 OD1 ASN A 29 18.590 -39.323 -8.540 1.00 0.00 O ATOM 482 ND2 ASN A 29 17.495 -37.943 -9.822 1.00 0.00 N ATOM 0 H ASN A 29 13.698 -40.616 -7.721 1.00 0.00 H new ATOM 0 HA ASN A 29 16.427 -40.030 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.606 -40.982 -9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.585 -39.670 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.321 -37.350 -9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.634 -37.683 -10.303 1.00 0.00 H new ATOM 489 N ASP A 30 14.345 -37.837 -8.196 1.00 0.00 N ATOM 490 CA ASP A 30 13.839 -36.462 -8.085 1.00 0.00 C ATOM 491 C ASP A 30 12.646 -36.289 -7.115 1.00 0.00 C ATOM 492 O ASP A 30 11.505 -36.001 -7.489 1.00 0.00 O ATOM 493 CB ASP A 30 13.520 -35.941 -9.517 1.00 0.00 C ATOM 494 CG ASP A 30 14.783 -35.874 -10.369 1.00 0.00 C ATOM 495 OD1 ASP A 30 15.183 -36.907 -10.908 1.00 0.00 O ATOM 496 OD2 ASP A 30 15.368 -34.800 -10.460 1.00 0.00 O ATOM 0 H ASP A 30 14.095 -38.277 -9.081 1.00 0.00 H new ATOM 0 HA ASP A 30 14.621 -35.856 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.791 -36.597 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.066 -34.952 -9.455 1.00 0.00 H new ATOM 501 N ASP A 31 12.939 -36.514 -5.834 1.00 0.00 N ATOM 502 CA ASP A 31 11.996 -36.303 -4.735 1.00 0.00 C ATOM 503 C ASP A 31 12.065 -34.863 -4.182 1.00 0.00 C ATOM 504 O ASP A 31 13.127 -34.399 -3.755 1.00 0.00 O ATOM 505 CB ASP A 31 12.286 -37.329 -3.597 1.00 0.00 C ATOM 506 CG ASP A 31 12.291 -38.772 -4.098 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.299 -39.203 -4.691 1.00 0.00 O ATOM 508 OD2 ASP A 31 13.298 -39.447 -3.911 1.00 0.00 O ATOM 0 H ASP A 31 13.851 -36.853 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 31 10.989 -36.453 -5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.251 -37.102 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.534 -37.222 -2.815 1.00 0.00 H new ATOM 513 N GLU A 32 10.962 -34.110 -4.238 1.00 0.00 N ATOM 514 CA GLU A 32 10.828 -32.861 -3.478 1.00 0.00 C ATOM 515 C GLU A 32 10.799 -33.146 -1.958 1.00 0.00 C ATOM 516 O GLU A 32 11.524 -32.512 -1.187 1.00 0.00 O ATOM 517 CB GLU A 32 9.584 -32.086 -3.976 1.00 0.00 C ATOM 518 CG GLU A 32 9.452 -30.658 -3.359 1.00 0.00 C ATOM 519 CD GLU A 32 8.172 -29.943 -3.794 1.00 0.00 C ATOM 520 OE1 GLU A 32 8.079 -29.549 -4.956 1.00 0.00 O ATOM 521 OE2 GLU A 32 7.299 -29.760 -2.950 1.00 0.00 O ATOM 0 H GLU A 32 10.146 -34.344 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 32 11.697 -32.226 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.629 -32.001 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.689 -32.660 -3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.470 -30.733 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.315 -30.059 -3.651 1.00 0.00 H new ATOM 528 N THR A 33 9.932 -34.056 -1.489 1.00 0.00 N ATOM 529 CA THR A 33 10.071 -34.743 -0.192 1.00 0.00 C ATOM 530 C THR A 33 9.425 -36.146 -0.244 1.00 0.00 C ATOM 531 O THR A 33 8.281 -36.287 -0.683 1.00 0.00 O ATOM 532 CB THR A 33 9.473 -33.885 0.969 1.00 0.00 C ATOM 533 OG1 THR A 33 10.273 -32.732 1.170 1.00 0.00 O ATOM 534 CG2 THR A 33 9.510 -34.515 2.357 1.00 0.00 C ATOM 0 H THR A 33 9.101 -34.341 -2.007 1.00 0.00 H new ATOM 0 HA THR A 33 11.134 -34.870 0.010 1.00 0.00 H new ATOM 0 HB THR A 33 8.445 -33.727 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.014 -32.732 0.529 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.069 -33.829 3.080 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.944 -35.447 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.543 -34.720 2.636 1.00 0.00 H new ATOM 542 N CYS A 34 10.122 -37.191 0.245 1.00 0.00 N ATOM 543 CA CYS A 34 9.692 -38.603 0.189 1.00 0.00 C ATOM 544 C CYS A 34 8.283 -38.880 0.756 1.00 0.00 C ATOM 545 O CYS A 34 7.540 -39.722 0.246 1.00 0.00 O ATOM 546 CB CYS A 34 10.712 -39.474 0.977 1.00 0.00 C ATOM 547 SG CYS A 34 12.375 -39.581 0.262 1.00 0.00 S ATOM 0 H CYS A 34 11.026 -37.073 0.703 1.00 0.00 H new ATOM 0 HA CYS A 34 9.652 -38.855 -0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.797 -39.076 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.309 -40.483 1.064 1.00 0.00 H new ATOM 552 N GLU A 35 7.920 -38.118 1.796 1.00 0.00 N ATOM 553 CA GLU A 35 6.616 -38.157 2.456 1.00 0.00 C ATOM 554 C GLU A 35 5.448 -37.672 1.559 1.00 0.00 C ATOM 555 O GLU A 35 4.302 -37.836 1.964 1.00 0.00 O ATOM 556 CB GLU A 35 6.745 -37.289 3.750 1.00 0.00 C ATOM 557 CG GLU A 35 5.556 -37.333 4.778 1.00 0.00 C ATOM 558 CD GLU A 35 5.430 -38.652 5.548 1.00 0.00 C ATOM 559 OE1 GLU A 35 6.425 -39.099 6.126 1.00 0.00 O ATOM 560 OE2 GLU A 35 4.331 -39.209 5.597 1.00 0.00 O ATOM 0 H GLU A 35 8.552 -37.434 2.213 1.00 0.00 H new ATOM 0 HA GLU A 35 6.361 -39.191 2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.651 -37.596 4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.888 -36.252 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.680 -36.520 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.624 -37.148 4.244 1.00 0.00 H new ATOM 567 N GLU A 36 5.633 -37.082 0.365 1.00 0.00 N ATOM 568 CA GLU A 36 4.525 -36.847 -0.582 1.00 0.00 C ATOM 569 C GLU A 36 4.058 -38.178 -1.218 1.00 0.00 C ATOM 570 O GLU A 36 2.917 -38.647 -1.067 1.00 0.00 O ATOM 571 CB GLU A 36 4.977 -35.857 -1.691 1.00 0.00 C ATOM 572 CG GLU A 36 5.398 -34.449 -1.179 1.00 0.00 C ATOM 573 CD GLU A 36 6.114 -33.660 -2.275 1.00 0.00 C ATOM 574 OE1 GLU A 36 7.320 -33.851 -2.435 1.00 0.00 O ATOM 575 OE2 GLU A 36 5.465 -32.876 -2.959 1.00 0.00 O ATOM 0 H GLU A 36 6.541 -36.758 0.031 1.00 0.00 H new ATOM 0 HA GLU A 36 3.688 -36.414 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.815 -36.297 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.163 -35.739 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.517 -33.900 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.053 -34.553 -0.314 1.00 0.00 H new ATOM 582 N ARG A 37 5.040 -38.810 -1.878 1.00 0.00 N ATOM 583 CA ARG A 37 4.885 -40.120 -2.495 1.00 0.00 C ATOM 584 C ARG A 37 4.545 -41.175 -1.423 1.00 0.00 C ATOM 585 O ARG A 37 3.631 -41.974 -1.623 1.00 0.00 O ATOM 586 CB ARG A 37 6.191 -40.456 -3.264 1.00 0.00 C ATOM 587 CG ARG A 37 6.004 -41.654 -4.216 1.00 0.00 C ATOM 588 CD ARG A 37 7.296 -42.123 -4.883 1.00 0.00 C ATOM 589 NE ARG A 37 6.944 -43.356 -5.593 1.00 0.00 N ATOM 590 CZ ARG A 37 7.513 -44.524 -5.466 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.641 -44.698 -4.893 1.00 0.00 N ATOM 592 NH2 ARG A 37 6.923 -45.534 -5.970 1.00 0.00 N ATOM 0 H ARG A 37 5.973 -38.414 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 37 4.058 -40.119 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.511 -39.584 -3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.985 -40.679 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.573 -42.485 -3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.286 -41.382 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.679 -41.369 -5.571 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.076 -42.305 -4.144 1.00 0.00 H new ATOM 0 HE ARG A 37 6.172 -43.295 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.145 -43.900 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.038 -45.635 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.033 -45.416 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.340 -46.461 -5.889 1.00 0.00 H new ATOM 606 N ALA A 38 5.221 -41.171 -0.267 1.00 0.00 N ATOM 607 CA ALA A 38 4.847 -42.024 0.858 1.00 0.00 C ATOM 608 C ALA A 38 3.880 -41.391 1.896 1.00 0.00 C ATOM 609 O ALA A 38 3.820 -41.812 3.055 1.00 0.00 O ATOM 610 CB ALA A 38 6.122 -42.648 1.410 1.00 0.00 C ATOM 0 H ALA A 38 6.034 -40.581 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 38 4.199 -42.824 0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.876 -43.293 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.605 -43.238 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.799 -41.860 1.741 1.00 0.00 H new ATOM 616 N ALA A 39 3.143 -40.321 1.559 1.00 0.00 N ATOM 617 CA ALA A 39 1.750 -40.152 1.990 1.00 0.00 C ATOM 618 C ALA A 39 0.795 -41.049 1.188 1.00 0.00 C ATOM 619 O ALA A 39 -0.176 -41.563 1.744 1.00 0.00 O ATOM 620 CB ALA A 39 1.306 -38.680 1.878 1.00 0.00 C ATOM 0 H ALA A 39 3.494 -39.555 0.984 1.00 0.00 H new ATOM 0 HA ALA A 39 1.704 -40.453 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.270 -38.587 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.942 -38.059 2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.391 -38.352 0.842 1.00 0.00 H new ATOM 626 N ARG A 40 1.041 -41.210 -0.124 1.00 0.00 N ATOM 627 CA ARG A 40 0.320 -42.222 -0.917 1.00 0.00 C ATOM 628 C ARG A 40 0.662 -43.678 -0.506 1.00 0.00 C ATOM 629 O ARG A 40 -0.245 -44.493 -0.322 1.00 0.00 O ATOM 630 CB ARG A 40 0.547 -42.000 -2.433 1.00 0.00 C ATOM 631 CG ARG A 40 0.022 -40.634 -2.930 1.00 0.00 C ATOM 632 CD ARG A 40 0.246 -40.459 -4.433 1.00 0.00 C ATOM 633 NE ARG A 40 -0.241 -39.131 -4.801 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.256 -38.626 -6.002 1.00 0.00 C ATOM 635 NH1 ARG A 40 0.156 -39.238 -7.049 1.00 0.00 N ATOM 636 NH2 ARG A 40 -0.711 -37.445 -6.150 1.00 0.00 N ATOM 0 H ARG A 40 1.722 -40.663 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.740 -42.087 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.613 -42.074 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.053 -42.797 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.042 -40.549 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.525 -39.832 -2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.304 -40.560 -4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.285 -41.230 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.603 -38.545 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.527 -40.185 -6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.113 -38.778 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.050 -36.924 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.736 -37.021 -7.077 1.00 0.00 H new ATOM 650 N ILE A 41 1.944 -44.059 -0.378 1.00 0.00 N ATOM 651 CA ILE A 41 2.363 -45.342 0.210 1.00 0.00 C ATOM 652 C ILE A 41 2.286 -45.354 1.754 1.00 0.00 C ATOM 653 O ILE A 41 3.219 -45.145 2.532 1.00 0.00 O ATOM 654 CB ILE A 41 3.718 -45.889 -0.314 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.772 -45.958 -1.853 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.969 -47.280 0.185 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.612 -44.794 -2.294 1.00 0.00 C ATOM 0 H ILE A 41 2.726 -43.479 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 41 1.618 -46.050 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 41 4.471 -45.192 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.207 -46.900 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.771 -45.900 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.925 -47.637 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.993 -47.277 1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.172 -47.939 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.687 -44.790 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.151 -43.865 -1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.609 -44.881 -1.862 1.00 0.00 H new ATOM 669 N LYS A 42 1.037 -45.606 2.108 1.00 0.00 N ATOM 670 CA LYS A 42 0.553 -45.751 3.485 1.00 0.00 C ATOM 671 C LYS A 42 -0.044 -47.152 3.759 1.00 0.00 C ATOM 672 O LYS A 42 -1.065 -47.297 4.435 1.00 0.00 O ATOM 673 CB LYS A 42 -0.439 -44.576 3.794 1.00 0.00 C ATOM 674 CG LYS A 42 -0.071 -43.666 5.005 1.00 0.00 C ATOM 675 CD LYS A 42 1.337 -43.049 4.876 1.00 0.00 C ATOM 676 CE LYS A 42 1.598 -41.783 5.690 1.00 0.00 C ATOM 677 NZ LYS A 42 3.007 -41.478 5.453 1.00 0.00 N ATOM 0 H LYS A 42 0.294 -45.722 1.419 1.00 0.00 H new ATOM 0 HA LYS A 42 1.394 -45.681 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.516 -43.950 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.427 -45.000 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.807 -42.867 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.125 -44.250 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.069 -43.802 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.517 -42.823 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.955 -40.964 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.400 -41.945 6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.140 -40.447 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.583 -41.884 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.302 -41.886 4.543 1.00 0.00 H new ATOM 691 N ILE A 43 0.599 -48.201 3.224 1.00 0.00 N ATOM 692 CA ILE A 43 0.152 -49.594 3.380 1.00 0.00 C ATOM 693 C ILE A 43 0.375 -50.116 4.818 1.00 0.00 C ATOM 694 O ILE A 43 -0.484 -50.806 5.372 1.00 0.00 O ATOM 695 CB ILE A 43 0.832 -50.495 2.285 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.456 -50.000 0.855 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.438 -51.993 2.434 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.336 -50.578 -0.277 1.00 0.00 C ATOM 0 H ILE A 43 1.449 -48.106 2.668 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.926 -49.638 3.224 1.00 0.00 H new ATOM 0 HB ILE A 43 1.909 -50.411 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.584 -50.258 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.524 -48.912 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.931 -52.578 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.750 -52.355 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.643 -52.096 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.003 -50.180 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.376 -50.298 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.250 -51.665 -0.286 1.00 0.00 H new ATOM 710 N GLY A 44 1.510 -49.774 5.445 1.00 0.00 N ATOM 711 CA GLY A 44 1.785 -50.143 6.841 1.00 0.00 C ATOM 712 C GLY A 44 2.902 -49.314 7.514 1.00 0.00 C ATOM 713 O GLY A 44 3.755 -48.805 6.780 1.00 0.00 O ATOM 0 H GLY A 44 2.257 -49.238 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.868 -50.032 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.060 -51.197 6.878 1.00 0.00 H new ATOM 717 N PRO A 45 2.977 -49.149 8.862 1.00 0.00 N ATOM 718 CA PRO A 45 4.070 -48.445 9.572 1.00 0.00 C ATOM 719 C PRO A 45 5.500 -48.917 9.231 1.00 0.00 C ATOM 720 O PRO A 45 6.378 -48.100 8.939 1.00 0.00 O ATOM 721 CB PRO A 45 3.748 -48.694 11.057 1.00 0.00 C ATOM 722 CG PRO A 45 2.237 -48.728 11.054 1.00 0.00 C ATOM 723 CD PRO A 45 1.931 -49.557 9.810 1.00 0.00 C ATOM 0 HA PRO A 45 4.093 -47.396 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.176 -49.630 11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.136 -47.901 11.696 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.839 -49.189 11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.808 -47.728 10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.973 -50.626 10.019 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.934 -49.347 9.423 1.00 0.00 H new ATOM 731 N LYS A 46 5.712 -50.243 9.246 1.00 0.00 N ATOM 732 CA LYS A 46 6.960 -50.877 8.812 1.00 0.00 C ATOM 733 C LYS A 46 7.282 -50.642 7.323 1.00 0.00 C ATOM 734 O LYS A 46 8.457 -50.530 6.971 1.00 0.00 O ATOM 735 CB LYS A 46 6.908 -52.398 9.091 1.00 0.00 C ATOM 736 CG LYS A 46 6.934 -52.782 10.583 1.00 0.00 C ATOM 737 CD LYS A 46 6.947 -54.318 10.725 1.00 0.00 C ATOM 738 CE LYS A 46 7.007 -54.761 12.182 1.00 0.00 C ATOM 739 NZ LYS A 46 7.041 -56.217 12.193 1.00 0.00 N ATOM 0 H LYS A 46 5.010 -50.911 9.565 1.00 0.00 H new ATOM 0 HA LYS A 46 7.757 -50.408 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.002 -52.805 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.753 -52.874 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.815 -52.355 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.063 -52.368 11.090 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.053 -54.732 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.805 -54.724 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.891 -54.353 12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.140 -54.393 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.082 -56.556 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.184 -56.588 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.881 -56.549 11.677 1.00 0.00 H new ATOM 753 N CYS A 47 6.243 -50.548 6.473 1.00 0.00 N ATOM 754 CA CYS A 47 6.365 -50.230 5.049 1.00 0.00 C ATOM 755 C CYS A 47 6.890 -48.793 4.888 1.00 0.00 C ATOM 756 O CYS A 47 7.975 -48.646 4.323 1.00 0.00 O ATOM 757 CB CYS A 47 4.980 -50.416 4.362 1.00 0.00 C ATOM 758 SG CYS A 47 4.843 -50.520 2.553 1.00 0.00 S ATOM 0 H CYS A 47 5.278 -50.695 6.769 1.00 0.00 H new ATOM 0 HA CYS A 47 7.076 -50.902 4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.541 -51.327 4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.350 -49.587 4.683 1.00 0.00 H new ATOM 763 N VAL A 48 6.192 -47.748 5.386 1.00 0.00 N ATOM 764 CA VAL A 48 6.701 -46.370 5.384 1.00 0.00 C ATOM 765 C VAL A 48 8.113 -46.200 5.967 1.00 0.00 C ATOM 766 O VAL A 48 8.919 -45.461 5.401 1.00 0.00 O ATOM 767 CB VAL A 48 5.770 -45.330 6.094 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.535 -44.196 5.124 1.00 0.00 C ATOM 769 CG2 VAL A 48 4.394 -45.805 6.544 1.00 0.00 C ATOM 0 H VAL A 48 5.264 -47.842 5.798 1.00 0.00 H new ATOM 0 HA VAL A 48 6.730 -46.161 4.315 1.00 0.00 H new ATOM 0 HB VAL A 48 6.301 -45.072 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.888 -43.450 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.489 -43.737 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.058 -44.581 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.862 -44.981 7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.828 -46.153 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.506 -46.622 7.256 1.00 0.00 H new ATOM 779 N LYS A 49 8.407 -46.869 7.092 1.00 0.00 N ATOM 780 CA LYS A 49 9.756 -46.870 7.673 1.00 0.00 C ATOM 781 C LYS A 49 10.828 -47.481 6.735 1.00 0.00 C ATOM 782 O LYS A 49 11.795 -46.776 6.428 1.00 0.00 O ATOM 783 CB LYS A 49 9.711 -47.576 9.041 1.00 0.00 C ATOM 784 CG LYS A 49 10.947 -47.253 9.912 1.00 0.00 C ATOM 785 CD LYS A 49 11.038 -48.110 11.196 1.00 0.00 C ATOM 786 CE LYS A 49 11.214 -49.620 10.969 1.00 0.00 C ATOM 787 NZ LYS A 49 12.407 -49.844 10.161 1.00 0.00 N ATOM 0 H LYS A 49 7.726 -47.417 7.618 1.00 0.00 H new ATOM 0 HA LYS A 49 10.067 -45.834 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.807 -47.276 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.649 -48.654 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.849 -47.404 9.319 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.921 -46.199 10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.875 -47.750 11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.134 -47.951 11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.305 -50.136 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.337 -50.030 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.659 -50.853 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.220 -49.558 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.195 -49.281 10.541 1.00 0.00 H new ATOM 801 N ALA A 50 10.668 -48.732 6.245 1.00 0.00 N ATOM 802 CA ALA A 50 11.515 -49.345 5.199 1.00 0.00 C ATOM 803 C ALA A 50 11.650 -48.409 3.972 1.00 0.00 C ATOM 804 O ALA A 50 12.768 -48.087 3.557 1.00 0.00 O ATOM 805 CB ALA A 50 10.874 -50.704 4.813 1.00 0.00 C ATOM 0 H ALA A 50 9.931 -49.355 6.574 1.00 0.00 H new ATOM 0 HA ALA A 50 12.526 -49.505 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.476 -51.184 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.830 -51.348 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.866 -50.536 4.435 1.00 0.00 H new ATOM 811 N PHE A 51 10.506 -47.891 3.480 1.00 0.00 N ATOM 812 CA PHE A 51 10.420 -46.926 2.378 1.00 0.00 C ATOM 813 C PHE A 51 11.293 -45.684 2.622 1.00 0.00 C ATOM 814 O PHE A 51 12.166 -45.407 1.802 1.00 0.00 O ATOM 815 CB PHE A 51 8.927 -46.498 2.231 1.00 0.00 C ATOM 816 CG PHE A 51 8.586 -45.823 0.897 1.00 0.00 C ATOM 817 CD1 PHE A 51 9.029 -44.555 0.553 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.868 -46.513 -0.057 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.802 -44.019 -0.696 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.631 -45.994 -1.296 1.00 0.00 C ATOM 821 CZ PHE A 51 8.105 -44.746 -1.628 1.00 0.00 C ATOM 0 H PHE A 51 9.591 -48.144 3.854 1.00 0.00 H new ATOM 0 HA PHE A 51 10.789 -47.400 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.297 -47.379 2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.676 -45.816 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.567 -43.971 1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.482 -47.493 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.170 -43.033 -0.940 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.069 -46.565 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.930 -44.342 -2.614 1.00 0.00 H new ATOM 831 N LYS A 52 11.082 -44.939 3.720 1.00 0.00 N ATOM 832 CA LYS A 52 11.855 -43.732 4.024 1.00 0.00 C ATOM 833 C LYS A 52 13.344 -43.988 4.324 1.00 0.00 C ATOM 834 O LYS A 52 14.158 -43.102 4.059 1.00 0.00 O ATOM 835 CB LYS A 52 11.179 -42.904 5.141 1.00 0.00 C ATOM 836 CG LYS A 52 9.819 -42.338 4.666 1.00 0.00 C ATOM 837 CD LYS A 52 9.128 -41.430 5.698 1.00 0.00 C ATOM 838 CE LYS A 52 9.745 -40.034 5.781 1.00 0.00 C ATOM 839 NZ LYS A 52 8.936 -39.280 6.729 1.00 0.00 N ATOM 0 H LYS A 52 10.371 -45.159 4.418 1.00 0.00 H new ATOM 0 HA LYS A 52 11.853 -43.144 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.029 -43.529 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.834 -42.085 5.439 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.972 -41.775 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.155 -43.168 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.072 -41.339 5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.179 -41.902 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.782 -40.087 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.747 -39.552 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.148 -38.266 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.928 -39.443 6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.154 -39.592 7.697 1.00 0.00 H new ATOM 853 N ASP A 53 13.737 -45.159 4.858 1.00 0.00 N ATOM 854 CA ASP A 53 15.151 -45.543 4.962 1.00 0.00 C ATOM 855 C ASP A 53 15.842 -45.700 3.587 1.00 0.00 C ATOM 856 O ASP A 53 16.883 -45.082 3.315 1.00 0.00 O ATOM 857 CB ASP A 53 15.280 -46.826 5.834 1.00 0.00 C ATOM 858 CG ASP A 53 14.974 -46.588 7.314 1.00 0.00 C ATOM 859 OD1 ASP A 53 15.430 -45.581 7.866 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.318 -47.433 7.917 1.00 0.00 O ATOM 0 H ASP A 53 13.089 -45.856 5.225 1.00 0.00 H new ATOM 0 HA ASP A 53 15.683 -44.728 5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.603 -47.588 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.291 -47.221 5.739 1.00 0.00 H new ATOM 865 N CYS A 54 15.244 -46.516 2.712 1.00 0.00 N ATOM 866 CA CYS A 54 15.677 -46.621 1.319 1.00 0.00 C ATOM 867 C CYS A 54 15.509 -45.329 0.473 1.00 0.00 C ATOM 868 O CYS A 54 16.352 -45.080 -0.392 1.00 0.00 O ATOM 869 CB CYS A 54 14.950 -47.808 0.680 1.00 0.00 C ATOM 870 SG CYS A 54 15.630 -49.470 0.962 1.00 0.00 S ATOM 0 H CYS A 54 14.454 -47.116 2.949 1.00 0.00 H new ATOM 0 HA CYS A 54 16.755 -46.779 1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.920 -47.802 1.038 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.914 -47.639 -0.396 1.00 0.00 H new ATOM 875 N CYS A 55 14.466 -44.499 0.670 1.00 0.00 N ATOM 876 CA CYS A 55 14.319 -43.182 0.020 1.00 0.00 C ATOM 877 C CYS A 55 15.402 -42.173 0.462 1.00 0.00 C ATOM 878 O CYS A 55 15.877 -41.368 -0.346 1.00 0.00 O ATOM 879 CB CYS A 55 12.894 -42.624 0.283 1.00 0.00 C ATOM 880 SG CYS A 55 12.361 -41.287 -0.823 1.00 0.00 S ATOM 0 H CYS A 55 13.692 -44.728 1.293 1.00 0.00 H new ATOM 0 HA CYS A 55 14.459 -43.326 -1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.181 -43.444 0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.848 -42.262 1.310 1.00 0.00 H new ATOM 885 N TYR A 56 15.800 -42.211 1.745 1.00 0.00 N ATOM 886 CA TYR A 56 17.025 -41.571 2.235 1.00 0.00 C ATOM 887 C TYR A 56 18.280 -42.049 1.471 1.00 0.00 C ATOM 888 O TYR A 56 19.045 -41.191 1.025 1.00 0.00 O ATOM 889 CB TYR A 56 17.064 -41.791 3.778 1.00 0.00 C ATOM 890 CG TYR A 56 18.453 -41.748 4.434 1.00 0.00 C ATOM 891 CD1 TYR A 56 19.141 -40.563 4.641 1.00 0.00 C ATOM 892 CD2 TYR A 56 19.045 -42.917 4.883 1.00 0.00 C ATOM 893 CE1 TYR A 56 20.371 -40.547 5.272 1.00 0.00 C ATOM 894 CE2 TYR A 56 20.270 -42.908 5.516 1.00 0.00 C ATOM 895 CZ TYR A 56 20.932 -41.725 5.708 1.00 0.00 C ATOM 896 OH TYR A 56 22.143 -41.739 6.319 1.00 0.00 O ATOM 0 H TYR A 56 15.274 -42.692 2.474 1.00 0.00 H new ATOM 0 HA TYR A 56 17.023 -40.499 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.439 -41.032 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 56 16.611 -42.758 3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.708 -39.633 4.303 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.535 -43.857 4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 56 20.890 -39.612 5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 56 20.707 -43.834 5.860 1.00 0.00 H new ATOM 0 HH TYR A 56 22.378 -42.660 6.559 1.00 0.00 H new ATOM 906 N ILE A 57 18.502 -43.363 1.274 1.00 0.00 N ATOM 907 CA ILE A 57 19.572 -43.859 0.376 1.00 0.00 C ATOM 908 C ILE A 57 19.474 -43.371 -1.077 1.00 0.00 C ATOM 909 O ILE A 57 20.479 -42.921 -1.633 1.00 0.00 O ATOM 910 CB ILE A 57 19.668 -45.421 0.425 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.978 -45.951 1.835 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.652 -46.074 -0.587 1.00 0.00 C ATOM 913 CD1 ILE A 57 21.164 -45.260 2.536 1.00 0.00 C ATOM 0 H ILE A 57 17.958 -44.101 1.722 1.00 0.00 H new ATOM 0 HA ILE A 57 20.490 -43.421 0.768 1.00 0.00 H new ATOM 0 HB ILE A 57 18.666 -45.723 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.089 -45.835 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.184 -47.019 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.636 -47.157 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 57 20.350 -45.821 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.661 -45.703 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.309 -45.698 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.068 -45.397 1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.956 -44.195 2.639 1.00 0.00 H new ATOM 925 N ALA A 58 18.284 -43.455 -1.677 1.00 0.00 N ATOM 926 CA ALA A 58 18.013 -42.910 -3.017 1.00 0.00 C ATOM 927 C ALA A 58 18.395 -41.419 -3.155 1.00 0.00 C ATOM 928 O ALA A 58 19.045 -41.021 -4.126 1.00 0.00 O ATOM 929 CB ALA A 58 16.529 -43.117 -3.361 1.00 0.00 C ATOM 0 H ALA A 58 17.475 -43.904 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 58 18.643 -43.453 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.326 -42.714 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.298 -44.182 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.910 -42.602 -2.626 1.00 0.00 H new ATOM 935 N ASN A 59 18.020 -40.596 -2.164 1.00 0.00 N ATOM 936 CA ASN A 59 18.445 -39.197 -2.089 1.00 0.00 C ATOM 937 C ASN A 59 19.930 -38.980 -1.712 1.00 0.00 C ATOM 938 O ASN A 59 20.486 -37.944 -2.086 1.00 0.00 O ATOM 939 CB ASN A 59 17.457 -38.385 -1.221 1.00 0.00 C ATOM 940 CG ASN A 59 16.129 -38.246 -1.969 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.846 -37.217 -2.575 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.290 -39.265 -1.986 1.00 0.00 N ATOM 0 H ASN A 59 17.415 -40.884 -1.395 1.00 0.00 H new ATOM 0 HA ASN A 59 18.404 -38.806 -3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.299 -38.884 -0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.870 -37.400 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.412 -39.194 -2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.519 -40.123 -1.484 1.00 0.00 H new ATOM 949 N GLN A 60 20.609 -39.892 -0.994 1.00 0.00 N ATOM 950 CA GLN A 60 22.078 -39.884 -0.897 1.00 0.00 C ATOM 951 C GLN A 60 22.770 -40.242 -2.230 1.00 0.00 C ATOM 952 O GLN A 60 23.773 -39.610 -2.565 1.00 0.00 O ATOM 953 CB GLN A 60 22.593 -40.822 0.232 1.00 0.00 C ATOM 954 CG GLN A 60 22.083 -40.515 1.671 1.00 0.00 C ATOM 955 CD GLN A 60 22.508 -39.145 2.204 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.480 -39.019 2.936 1.00 0.00 O ATOM 957 NE2 GLN A 60 21.810 -38.068 1.901 1.00 0.00 N ATOM 0 H GLN A 60 20.162 -40.645 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 60 22.345 -38.857 -0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.313 -41.845 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.682 -40.782 0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.995 -40.575 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.450 -41.286 2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.995 -38.143 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.085 -37.160 2.275 1.00 0.00 H new ATOM 966 N VAL A 61 22.270 -41.228 -2.998 1.00 0.00 N ATOM 967 CA VAL A 61 22.760 -41.544 -4.355 1.00 0.00 C ATOM 968 C VAL A 61 22.566 -40.376 -5.351 1.00 0.00 C ATOM 969 O VAL A 61 23.440 -40.119 -6.181 1.00 0.00 O ATOM 970 CB VAL A 61 22.110 -42.877 -4.869 1.00 0.00 C ATOM 971 CG1 VAL A 61 22.484 -43.261 -6.320 1.00 0.00 C ATOM 972 CG2 VAL A 61 22.516 -44.074 -3.984 1.00 0.00 C ATOM 0 H VAL A 61 21.508 -41.833 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 61 23.838 -41.692 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 61 21.040 -42.674 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 61 21.989 -44.195 -6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.163 -42.472 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.564 -43.388 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.050 -44.983 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.600 -44.187 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 61 22.185 -43.899 -2.960 1.00 0.00 H new ATOM 982 N ARG A 62 21.431 -39.663 -5.266 1.00 0.00 N ATOM 983 CA ARG A 62 21.184 -38.392 -5.966 1.00 0.00 C ATOM 984 C ARG A 62 22.251 -37.304 -5.694 1.00 0.00 C ATOM 985 O ARG A 62 22.641 -36.577 -6.609 1.00 0.00 O ATOM 986 CB ARG A 62 19.799 -37.923 -5.473 1.00 0.00 C ATOM 987 CG ARG A 62 19.204 -36.625 -6.060 1.00 0.00 C ATOM 988 CD ARG A 62 17.930 -36.322 -5.272 1.00 0.00 C ATOM 989 NE ARG A 62 17.275 -35.123 -5.780 1.00 0.00 N ATOM 990 CZ ARG A 62 16.145 -34.669 -5.315 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.505 -35.173 -4.324 1.00 0.00 N ATOM 992 NH2 ARG A 62 15.620 -33.652 -5.873 1.00 0.00 N ATOM 0 H ARG A 62 20.641 -39.962 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 62 21.229 -38.551 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 62 19.090 -38.728 -5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.857 -37.800 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.914 -35.803 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.982 -36.747 -7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.247 -37.169 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.173 -36.189 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 62 17.725 -34.612 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.877 -35.990 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.624 -34.757 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.083 -33.210 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.736 -33.279 -5.526 1.00 0.00 H new ATOM 1006 N ALA A 63 22.704 -37.165 -4.438 1.00 0.00 N ATOM 1007 CA ALA A 63 23.820 -36.287 -4.081 1.00 0.00 C ATOM 1008 C ALA A 63 25.202 -36.885 -4.427 1.00 0.00 C ATOM 1009 O ALA A 63 26.033 -36.190 -5.014 1.00 0.00 O ATOM 1010 CB ALA A 63 23.713 -35.956 -2.578 1.00 0.00 C ATOM 0 H ALA A 63 22.303 -37.661 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 63 23.746 -35.378 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.536 -35.302 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 63 22.765 -35.454 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.762 -36.878 -1.998 1.00 0.00 H new ATOM 1016 N GLU A 64 25.457 -38.150 -4.046 1.00 0.00 N ATOM 1017 CA GLU A 64 26.677 -38.928 -4.322 1.00 0.00 C ATOM 1018 C GLU A 64 27.976 -38.366 -3.701 1.00 0.00 C ATOM 1019 O GLU A 64 28.634 -39.066 -2.930 1.00 0.00 O ATOM 1020 CB GLU A 64 26.807 -39.228 -5.845 1.00 0.00 C ATOM 1021 CG GLU A 64 27.914 -40.276 -6.184 1.00 0.00 C ATOM 1022 CD GLU A 64 27.901 -40.693 -7.655 1.00 0.00 C ATOM 1023 OE1 GLU A 64 27.109 -41.563 -8.010 1.00 0.00 O ATOM 1024 OE2 GLU A 64 28.706 -40.166 -8.418 1.00 0.00 O ATOM 0 H GLU A 64 24.778 -38.687 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 64 26.548 -39.874 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.849 -39.590 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.024 -38.299 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.891 -39.860 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 64 27.777 -41.159 -5.559 1.00 0.00 H new