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 52 LYS NZ :NH3+ -137:sc= 2.75 (180deg=1.03) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0.837 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 2.25 (180deg=1.73) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= 1.03 (180deg=0.544) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.687 K(o=0.69,f=-5.5!) USER MOD Single : A 33 THR OG1 : rot -95:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 1.13 (180deg=0.994) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.06) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 1.18 (180deg=1.06) USER MOD Single : A 59 ASN : amide:sc= 1.96 K(o=2,f=-10!) USER MOD Single : A 60 GLN : amide:sc= 1.23 K(o=1.2,f=-0.0096) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 17.669 -49.957 4.344 1.00 0.00 N ATOM 101 CA ILE A 6 17.621 -50.441 2.942 1.00 0.00 C ATOM 102 C ILE A 6 18.120 -51.893 2.879 1.00 0.00 C ATOM 103 O ILE A 6 17.434 -52.739 2.302 1.00 0.00 O ATOM 104 CB ILE A 6 18.404 -49.599 1.864 1.00 0.00 C ATOM 105 CG1 ILE A 6 17.931 -48.138 1.769 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.345 -50.202 0.415 1.00 0.00 C ATOM 107 CD1 ILE A 6 18.836 -47.191 2.553 1.00 0.00 C ATOM 0 HA ILE A 6 16.570 -50.337 2.672 1.00 0.00 H new ATOM 0 HB ILE A 6 19.430 -49.637 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.906 -47.832 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 6 16.912 -48.062 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.907 -49.565 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.779 -51.202 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.307 -50.259 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.464 -46.171 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.840 -47.479 3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.850 -47.246 2.157 1.00 0.00 H new ATOM 119 N GLU A 7 19.277 -52.178 3.505 1.00 0.00 N ATOM 120 CA GLU A 7 19.782 -53.541 3.633 1.00 0.00 C ATOM 121 C GLU A 7 18.803 -54.473 4.362 1.00 0.00 C ATOM 122 O GLU A 7 18.505 -55.488 3.758 1.00 0.00 O ATOM 123 CB GLU A 7 21.211 -53.594 4.244 1.00 0.00 C ATOM 124 CG GLU A 7 22.370 -53.444 3.197 1.00 0.00 C ATOM 125 CD GLU A 7 22.566 -52.032 2.634 1.00 0.00 C ATOM 126 OE1 GLU A 7 21.900 -51.674 1.665 1.00 0.00 O ATOM 127 OE2 GLU A 7 23.428 -51.322 3.150 1.00 0.00 O ATOM 0 H GLU A 7 19.877 -51.471 3.930 1.00 0.00 H new ATOM 0 HA GLU A 7 19.866 -53.923 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.305 -52.802 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.333 -54.541 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.302 -53.764 3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 7 22.178 -54.125 2.367 1.00 0.00 H new ATOM 134 N GLU A 8 18.231 -54.237 5.553 1.00 0.00 N ATOM 135 CA GLU A 8 17.273 -55.173 6.170 1.00 0.00 C ATOM 136 C GLU A 8 15.994 -55.451 5.350 1.00 0.00 C ATOM 137 O GLU A 8 15.535 -56.598 5.360 1.00 0.00 O ATOM 138 CB GLU A 8 16.886 -54.706 7.595 1.00 0.00 C ATOM 139 CG GLU A 8 18.050 -54.848 8.618 1.00 0.00 C ATOM 140 CD GLU A 8 17.669 -54.337 10.009 1.00 0.00 C ATOM 141 OE1 GLU A 8 16.843 -54.959 10.670 1.00 0.00 O ATOM 142 OE2 GLU A 8 18.225 -53.321 10.435 1.00 0.00 O ATOM 0 H GLU A 8 18.415 -53.403 6.111 1.00 0.00 H new ATOM 0 HA GLU A 8 17.810 -56.121 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.569 -53.664 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.031 -55.287 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.344 -55.895 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.918 -54.296 8.256 1.00 0.00 H new ATOM 149 N GLU A 9 15.373 -54.492 4.644 1.00 0.00 N ATOM 150 CA GLU A 9 14.249 -54.808 3.747 1.00 0.00 C ATOM 151 C GLU A 9 14.689 -55.419 2.403 1.00 0.00 C ATOM 152 O GLU A 9 14.214 -56.508 2.065 1.00 0.00 O ATOM 153 CB GLU A 9 13.292 -53.591 3.649 1.00 0.00 C ATOM 154 CG GLU A 9 12.038 -53.710 4.594 1.00 0.00 C ATOM 155 CD GLU A 9 12.338 -54.039 6.066 1.00 0.00 C ATOM 156 OE1 GLU A 9 12.771 -53.166 6.817 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.091 -55.182 6.486 1.00 0.00 O ATOM 0 H GLU A 9 15.626 -53.504 4.675 1.00 0.00 H new ATOM 0 HA GLU A 9 13.668 -55.619 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.842 -52.684 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.953 -53.485 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.488 -52.770 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.379 -54.481 4.196 1.00 0.00 H new ATOM 164 N ALA A 10 15.564 -54.774 1.624 1.00 0.00 N ATOM 165 CA ALA A 10 16.162 -55.387 0.423 1.00 0.00 C ATOM 166 C ALA A 10 17.221 -56.510 0.620 1.00 0.00 C ATOM 167 O ALA A 10 17.774 -56.960 -0.384 1.00 0.00 O ATOM 168 CB ALA A 10 16.659 -54.236 -0.485 1.00 0.00 C ATOM 0 H ALA A 10 15.878 -53.820 1.802 1.00 0.00 H new ATOM 0 HA ALA A 10 15.369 -55.969 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.109 -54.652 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.817 -53.600 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.401 -53.644 0.051 1.00 0.00 H new ATOM 174 N ALA A 11 17.616 -56.988 1.812 1.00 0.00 N ATOM 175 CA ALA A 11 18.250 -58.309 1.980 1.00 0.00 C ATOM 176 C ALA A 11 17.266 -59.488 2.057 1.00 0.00 C ATOM 177 O ALA A 11 17.487 -60.511 1.408 1.00 0.00 O ATOM 178 CB ALA A 11 19.169 -58.334 3.225 1.00 0.00 C ATOM 0 H ALA A 11 17.506 -56.472 2.685 1.00 0.00 H new ATOM 0 HA ALA A 11 18.835 -58.447 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.622 -59.320 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.952 -57.584 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.581 -58.115 4.116 1.00 0.00 H new ATOM 184 N LYS A 12 16.196 -59.352 2.858 1.00 0.00 N ATOM 185 CA LYS A 12 15.274 -60.451 3.164 1.00 0.00 C ATOM 186 C LYS A 12 14.522 -61.024 1.950 1.00 0.00 C ATOM 187 O LYS A 12 14.382 -62.249 1.870 1.00 0.00 O ATOM 188 CB LYS A 12 14.273 -60.044 4.276 1.00 0.00 C ATOM 189 CG LYS A 12 14.898 -60.012 5.697 1.00 0.00 C ATOM 190 CD LYS A 12 13.829 -59.845 6.817 1.00 0.00 C ATOM 191 CE LYS A 12 13.575 -58.426 7.366 1.00 0.00 C ATOM 192 NZ LYS A 12 13.343 -57.505 6.262 1.00 0.00 N ATOM 0 H LYS A 12 15.948 -58.473 3.311 1.00 0.00 H new ATOM 0 HA LYS A 12 15.913 -61.259 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.867 -59.059 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.436 -60.742 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.455 -60.934 5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.613 -59.192 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.883 -60.231 6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.119 -60.480 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.713 -58.433 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.431 -58.095 7.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.991 -56.600 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.234 -57.346 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.638 -57.911 5.614 1.00 0.00 H new ATOM 206 N TYR A 13 14.000 -60.181 1.040 1.00 0.00 N ATOM 207 CA TYR A 13 13.332 -60.574 -0.217 1.00 0.00 C ATOM 208 C TYR A 13 12.010 -61.368 -0.088 1.00 0.00 C ATOM 209 O TYR A 13 11.247 -61.404 -1.054 1.00 0.00 O ATOM 210 CB TYR A 13 14.327 -61.284 -1.193 1.00 0.00 C ATOM 211 CG TYR A 13 15.086 -60.338 -2.145 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.579 -59.085 -1.794 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.343 -60.769 -3.438 1.00 0.00 C ATOM 214 CE1 TYR A 13 16.295 -58.323 -2.698 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.056 -60.008 -4.343 1.00 0.00 C ATOM 216 CZ TYR A 13 16.534 -58.780 -3.967 1.00 0.00 C ATOM 217 OH TYR A 13 17.236 -58.012 -4.837 1.00 0.00 O ATOM 0 H TYR A 13 14.033 -59.169 1.164 1.00 0.00 H new ATOM 0 HA TYR A 13 13.014 -59.621 -0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 13 15.054 -61.844 -0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.773 -62.009 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.399 -58.702 -0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 13 14.972 -61.735 -3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.671 -57.355 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.236 -60.378 -5.341 1.00 0.00 H new ATOM 0 HH TYR A 13 17.319 -58.481 -5.694 1.00 0.00 H new ATOM 227 N LYS A 14 11.712 -62.033 1.041 1.00 0.00 N ATOM 228 CA LYS A 14 10.377 -62.569 1.355 1.00 0.00 C ATOM 229 C LYS A 14 9.323 -61.449 1.437 1.00 0.00 C ATOM 230 O LYS A 14 8.195 -61.587 0.958 1.00 0.00 O ATOM 231 CB LYS A 14 10.389 -63.375 2.685 1.00 0.00 C ATOM 232 CG LYS A 14 11.388 -64.558 2.686 1.00 0.00 C ATOM 233 CD LYS A 14 12.528 -64.337 3.707 1.00 0.00 C ATOM 234 CE LYS A 14 13.774 -65.197 3.471 1.00 0.00 C ATOM 235 NZ LYS A 14 14.395 -64.778 2.217 1.00 0.00 N ATOM 0 H LYS A 14 12.401 -62.216 1.771 1.00 0.00 H new ATOM 0 HA LYS A 14 10.107 -63.241 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.636 -62.701 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.386 -63.757 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.860 -65.481 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.810 -64.680 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.819 -63.287 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.146 -64.541 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.475 -65.083 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.503 -66.252 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.429 -64.758 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.143 -65.449 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.057 -63.828 1.962 1.00 0.00 H new ATOM 249 N TYR A 15 9.708 -60.309 2.024 1.00 0.00 N ATOM 250 CA TYR A 15 8.939 -59.066 1.959 1.00 0.00 C ATOM 251 C TYR A 15 9.176 -58.333 0.615 1.00 0.00 C ATOM 252 O TYR A 15 9.631 -57.185 0.540 1.00 0.00 O ATOM 253 CB TYR A 15 9.311 -58.189 3.189 1.00 0.00 C ATOM 254 CG TYR A 15 9.071 -58.865 4.554 1.00 0.00 C ATOM 255 CD1 TYR A 15 8.055 -59.784 4.793 1.00 0.00 C ATOM 256 CD2 TYR A 15 9.894 -58.553 5.622 1.00 0.00 C ATOM 257 CE1 TYR A 15 7.875 -60.363 6.034 1.00 0.00 C ATOM 258 CE2 TYR A 15 9.723 -59.131 6.864 1.00 0.00 C ATOM 259 CZ TYR A 15 8.714 -60.033 7.069 1.00 0.00 C ATOM 260 OH TYR A 15 8.560 -60.582 8.300 1.00 0.00 O ATOM 0 H TYR A 15 10.571 -60.226 2.562 1.00 0.00 H new ATOM 0 HA TYR A 15 7.872 -59.284 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 15 10.362 -57.911 3.116 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.733 -57.266 3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.389 -60.052 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.691 -57.838 5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.076 -61.073 6.190 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.387 -58.871 7.675 1.00 0.00 H new ATOM 0 HH TYR A 15 9.247 -60.230 8.904 1.00 0.00 H new ATOM 270 N ALA A 16 8.802 -59.051 -0.454 1.00 0.00 N ATOM 271 CA ALA A 16 9.046 -58.682 -1.850 1.00 0.00 C ATOM 272 C ALA A 16 8.405 -57.354 -2.285 1.00 0.00 C ATOM 273 O ALA A 16 9.063 -56.527 -2.915 1.00 0.00 O ATOM 274 CB ALA A 16 8.561 -59.848 -2.736 1.00 0.00 C ATOM 0 H ALA A 16 8.303 -59.936 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 16 10.116 -58.510 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.730 -59.603 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.113 -60.753 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.497 -60.014 -2.569 1.00 0.00 H new ATOM 280 N MET A 17 7.135 -57.145 -1.914 1.00 0.00 N ATOM 281 CA MET A 17 6.405 -55.900 -2.158 1.00 0.00 C ATOM 282 C MET A 17 6.987 -54.707 -1.366 1.00 0.00 C ATOM 283 O MET A 17 6.953 -53.571 -1.836 1.00 0.00 O ATOM 284 CB MET A 17 4.910 -56.149 -1.808 1.00 0.00 C ATOM 285 CG MET A 17 3.916 -55.015 -2.182 1.00 0.00 C ATOM 286 SD MET A 17 3.728 -54.737 -3.965 1.00 0.00 S ATOM 287 CE MET A 17 4.413 -53.070 -4.146 1.00 0.00 C ATOM 0 H MET A 17 6.580 -57.849 -1.428 1.00 0.00 H new ATOM 0 HA MET A 17 6.505 -55.623 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.590 -57.063 -2.308 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.835 -56.329 -0.736 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.940 -55.251 -1.759 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.250 -54.088 -1.716 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.298 -52.739 -5.178 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.883 -52.385 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.471 -53.081 -3.884 1.00 0.00 H new ATOM 297 N LEU A 18 7.576 -54.956 -0.189 1.00 0.00 N ATOM 298 CA LEU A 18 8.113 -53.908 0.682 1.00 0.00 C ATOM 299 C LEU A 18 9.545 -53.508 0.282 1.00 0.00 C ATOM 300 O LEU A 18 9.894 -52.325 0.300 1.00 0.00 O ATOM 301 CB LEU A 18 7.988 -54.353 2.165 1.00 0.00 C ATOM 302 CG LEU A 18 6.554 -54.817 2.561 1.00 0.00 C ATOM 303 CD1 LEU A 18 6.504 -55.276 4.022 1.00 0.00 C ATOM 304 CD2 LEU A 18 5.498 -53.721 2.346 1.00 0.00 C ATOM 0 H LEU A 18 7.693 -55.897 0.186 1.00 0.00 H new ATOM 0 HA LEU A 18 7.522 -53.000 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.688 -55.167 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.283 -53.525 2.810 1.00 0.00 H new ATOM 0 HG LEU A 18 6.318 -55.653 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.491 -55.594 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.191 -56.110 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.794 -54.451 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.518 -54.098 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.748 -52.851 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.479 -53.436 1.294 1.00 0.00 H new ATOM 316 N LYS A 19 10.391 -54.472 -0.095 1.00 0.00 N ATOM 317 CA LYS A 19 11.583 -54.191 -0.897 1.00 0.00 C ATOM 318 C LYS A 19 11.268 -53.553 -2.276 1.00 0.00 C ATOM 319 O LYS A 19 12.011 -52.669 -2.709 1.00 0.00 O ATOM 320 CB LYS A 19 12.388 -55.532 -0.991 1.00 0.00 C ATOM 321 CG LYS A 19 13.246 -55.800 -2.262 1.00 0.00 C ATOM 322 CD LYS A 19 12.513 -56.725 -3.261 1.00 0.00 C ATOM 323 CE LYS A 19 13.198 -56.767 -4.619 1.00 0.00 C ATOM 324 NZ LYS A 19 12.485 -57.742 -5.430 1.00 0.00 N ATOM 0 H LYS A 19 10.271 -55.456 0.144 1.00 0.00 H new ATOM 0 HA LYS A 19 12.189 -53.424 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.052 -55.581 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.677 -56.352 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.482 -54.853 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.193 -56.255 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.464 -57.733 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.486 -56.381 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.177 -55.785 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.246 -57.047 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.925 -57.800 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.527 -58.674 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.492 -57.450 -5.530 1.00 0.00 H new ATOM 338 N LYS A 20 10.214 -53.946 -3.013 1.00 0.00 N ATOM 339 CA LYS A 20 9.789 -53.214 -4.214 1.00 0.00 C ATOM 340 C LYS A 20 9.236 -51.806 -3.867 1.00 0.00 C ATOM 341 O LYS A 20 9.320 -50.906 -4.701 1.00 0.00 O ATOM 342 CB LYS A 20 8.748 -54.065 -4.985 1.00 0.00 C ATOM 343 CG LYS A 20 8.465 -53.581 -6.423 1.00 0.00 C ATOM 344 CD LYS A 20 7.428 -54.483 -7.115 1.00 0.00 C ATOM 345 CE LYS A 20 7.134 -54.000 -8.532 1.00 0.00 C ATOM 346 NZ LYS A 20 6.144 -54.900 -9.102 1.00 0.00 N ATOM 0 H LYS A 20 9.644 -54.764 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 20 10.657 -53.049 -4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.098 -55.096 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.813 -54.067 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.101 -52.554 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.391 -53.578 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.797 -55.508 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.506 -54.494 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.759 -52.976 -8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.043 -53.999 -9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.919 -54.599 -10.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.524 -55.868 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.280 -54.877 -8.523 1.00 0.00 H new ATOM 360 N CYS A 21 8.662 -51.572 -2.672 1.00 0.00 N ATOM 361 CA CYS A 21 8.384 -50.226 -2.148 1.00 0.00 C ATOM 362 C CYS A 21 9.659 -49.381 -1.893 1.00 0.00 C ATOM 363 O CYS A 21 9.650 -48.176 -2.168 1.00 0.00 O ATOM 364 CB CYS A 21 7.548 -50.391 -0.871 1.00 0.00 C ATOM 365 SG CYS A 21 6.559 -48.950 -0.415 1.00 0.00 S ATOM 0 H CYS A 21 8.377 -52.320 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 21 7.834 -49.663 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.882 -51.244 -0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.218 -50.630 -0.045 1.00 0.00 H new ATOM 370 N CYS A 22 10.759 -49.989 -1.398 1.00 0.00 N ATOM 371 CA CYS A 22 12.125 -49.432 -1.515 1.00 0.00 C ATOM 372 C CYS A 22 12.416 -48.998 -2.944 1.00 0.00 C ATOM 373 O CYS A 22 12.735 -47.839 -3.207 1.00 0.00 O ATOM 374 CB CYS A 22 13.192 -50.400 -0.931 1.00 0.00 C ATOM 375 SG CYS A 22 14.611 -49.607 -0.117 1.00 0.00 S ATOM 0 H CYS A 22 10.725 -50.881 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 22 12.182 -48.531 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.705 -51.058 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.565 -51.031 -1.738 1.00 0.00 H new ATOM 380 N TYR A 23 12.245 -49.910 -3.880 1.00 0.00 N ATOM 381 CA TYR A 23 12.607 -49.631 -5.258 1.00 0.00 C ATOM 382 C TYR A 23 11.638 -48.666 -5.991 1.00 0.00 C ATOM 383 O TYR A 23 12.045 -47.978 -6.929 1.00 0.00 O ATOM 384 CB TYR A 23 12.923 -50.985 -5.875 1.00 0.00 C ATOM 385 CG TYR A 23 14.053 -51.743 -5.114 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.843 -51.266 -4.039 1.00 0.00 C ATOM 387 CD2 TYR A 23 14.400 -52.970 -5.643 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.946 -51.981 -3.611 1.00 0.00 C ATOM 389 CE2 TYR A 23 15.498 -53.681 -5.205 1.00 0.00 C ATOM 390 CZ TYR A 23 16.276 -53.177 -4.199 1.00 0.00 C ATOM 391 OH TYR A 23 17.384 -53.859 -3.814 1.00 0.00 O ATOM 0 H TYR A 23 11.862 -50.841 -3.716 1.00 0.00 H new ATOM 0 HA TYR A 23 13.500 -49.014 -5.353 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.021 -51.597 -5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.220 -50.846 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.582 -50.338 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.789 -53.389 -6.429 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.554 -51.595 -2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.742 -54.632 -5.655 1.00 0.00 H new ATOM 0 HH TYR A 23 17.459 -54.684 -4.338 1.00 0.00 H new ATOM 401 N ASP A 24 10.376 -48.561 -5.533 1.00 0.00 N ATOM 402 CA ASP A 24 9.476 -47.430 -5.809 1.00 0.00 C ATOM 403 C ASP A 24 10.082 -46.096 -5.324 1.00 0.00 C ATOM 404 O ASP A 24 10.100 -45.134 -6.094 1.00 0.00 O ATOM 405 CB ASP A 24 8.082 -47.695 -5.150 1.00 0.00 C ATOM 406 CG ASP A 24 6.945 -47.051 -5.941 1.00 0.00 C ATOM 407 OD1 ASP A 24 6.625 -45.887 -5.693 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.386 -47.725 -6.798 1.00 0.00 O ATOM 0 H ASP A 24 9.946 -49.277 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 24 9.344 -47.344 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.912 -48.769 -5.080 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.082 -47.305 -4.132 1.00 0.00 H new ATOM 413 N GLY A 25 10.589 -46.034 -4.081 1.00 0.00 N ATOM 414 CA GLY A 25 11.346 -44.881 -3.570 1.00 0.00 C ATOM 415 C GLY A 25 12.661 -44.583 -4.301 1.00 0.00 C ATOM 416 O GLY A 25 13.015 -43.415 -4.451 1.00 0.00 O ATOM 0 H GLY A 25 10.484 -46.786 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.711 -43.997 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.566 -45.050 -2.516 1.00 0.00 H new ATOM 420 N ALA A 26 13.405 -45.616 -4.726 1.00 0.00 N ATOM 421 CA ALA A 26 14.565 -45.456 -5.611 1.00 0.00 C ATOM 422 C ALA A 26 14.202 -44.824 -6.972 1.00 0.00 C ATOM 423 O ALA A 26 14.941 -43.967 -7.465 1.00 0.00 O ATOM 424 CB ALA A 26 15.279 -46.806 -5.805 1.00 0.00 C ATOM 0 H ALA A 26 13.218 -46.584 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 26 15.245 -44.758 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.137 -46.672 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.618 -47.181 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.588 -47.522 -6.250 1.00 0.00 H new ATOM 430 N TYR A 27 13.075 -45.208 -7.594 1.00 0.00 N ATOM 431 CA TYR A 27 12.534 -44.488 -8.754 1.00 0.00 C ATOM 432 C TYR A 27 11.900 -43.118 -8.394 1.00 0.00 C ATOM 433 O TYR A 27 10.679 -42.914 -8.387 1.00 0.00 O ATOM 434 CB TYR A 27 11.561 -45.406 -9.547 1.00 0.00 C ATOM 435 CG TYR A 27 12.334 -46.431 -10.391 1.00 0.00 C ATOM 436 CD1 TYR A 27 12.715 -46.145 -11.692 1.00 0.00 C ATOM 437 CD2 TYR A 27 12.681 -47.673 -9.890 1.00 0.00 C ATOM 438 CE1 TYR A 27 13.413 -47.057 -12.460 1.00 0.00 C ATOM 439 CE2 TYR A 27 13.378 -48.592 -10.648 1.00 0.00 C ATOM 440 CZ TYR A 27 13.744 -48.283 -11.933 1.00 0.00 C ATOM 441 OH TYR A 27 14.430 -49.193 -12.668 1.00 0.00 O ATOM 0 H TYR A 27 12.521 -46.016 -7.310 1.00 0.00 H new ATOM 0 HA TYR A 27 13.375 -44.238 -9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.900 -45.926 -8.854 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.929 -44.798 -10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.460 -45.185 -12.116 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.399 -47.930 -8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.698 -46.808 -13.471 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.635 -49.554 -10.229 1.00 0.00 H new ATOM 0 HH TYR A 27 14.577 -50.001 -12.134 1.00 0.00 H new ATOM 451 N ARG A 28 12.774 -42.158 -8.068 1.00 0.00 N ATOM 452 CA ARG A 28 12.426 -40.740 -7.924 1.00 0.00 C ATOM 453 C ARG A 28 12.116 -40.099 -9.302 1.00 0.00 C ATOM 454 O ARG A 28 13.018 -39.903 -10.130 1.00 0.00 O ATOM 455 CB ARG A 28 13.654 -40.099 -7.233 1.00 0.00 C ATOM 456 CG ARG A 28 13.590 -38.614 -6.816 1.00 0.00 C ATOM 457 CD ARG A 28 12.734 -38.340 -5.579 1.00 0.00 C ATOM 458 NE ARG A 28 13.202 -37.070 -5.028 1.00 0.00 N ATOM 459 CZ ARG A 28 12.555 -35.943 -4.994 1.00 0.00 C ATOM 460 NH1 ARG A 28 11.388 -35.725 -5.465 1.00 0.00 N ATOM 461 NH2 ARG A 28 13.152 -34.967 -4.437 1.00 0.00 N ATOM 0 H ARG A 28 13.761 -42.349 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 28 11.521 -40.588 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.869 -40.683 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.506 -40.216 -7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.603 -38.259 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.198 -38.032 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.678 -38.284 -5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.838 -39.142 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 28 14.139 -37.068 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.874 -36.478 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.971 -34.798 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.086 -35.095 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.696 -34.056 -4.379 1.00 0.00 H new ATOM 475 N ASN A 29 10.848 -39.759 -9.590 1.00 0.00 N ATOM 476 CA ASN A 29 10.441 -39.357 -10.943 1.00 0.00 C ATOM 477 C ASN A 29 9.506 -38.120 -10.976 1.00 0.00 C ATOM 478 O ASN A 29 9.938 -37.038 -10.573 1.00 0.00 O ATOM 479 CB ASN A 29 9.923 -40.612 -11.729 1.00 0.00 C ATOM 480 CG ASN A 29 8.732 -41.305 -11.059 1.00 0.00 C ATOM 481 OD1 ASN A 29 7.603 -40.842 -11.162 1.00 0.00 O ATOM 482 ND2 ASN A 29 8.889 -42.423 -10.379 1.00 0.00 N ATOM 0 H ASN A 29 10.092 -39.755 -8.906 1.00 0.00 H new ATOM 0 HA ASN A 29 11.317 -38.988 -11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.637 -40.307 -12.736 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.738 -41.328 -11.832 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.082 -42.880 -9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.818 -42.832 -10.277 1.00 0.00 H new ATOM 489 N ASP A 30 8.242 -38.203 -11.424 1.00 0.00 N ATOM 490 CA ASP A 30 7.317 -37.075 -11.574 1.00 0.00 C ATOM 491 C ASP A 30 6.717 -36.595 -10.229 1.00 0.00 C ATOM 492 O ASP A 30 5.502 -36.504 -10.034 1.00 0.00 O ATOM 493 CB ASP A 30 6.224 -37.492 -12.603 1.00 0.00 C ATOM 494 CG ASP A 30 6.827 -37.774 -13.976 1.00 0.00 C ATOM 495 OD1 ASP A 30 6.921 -36.843 -14.771 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.193 -38.919 -14.233 1.00 0.00 O ATOM 0 H ASP A 30 7.824 -39.091 -11.701 1.00 0.00 H new ATOM 0 HA ASP A 30 7.864 -36.208 -11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.704 -38.380 -12.243 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.480 -36.699 -12.687 1.00 0.00 H new ATOM 501 N ASP A 31 7.608 -36.264 -9.290 1.00 0.00 N ATOM 502 CA ASP A 31 7.254 -35.866 -7.929 1.00 0.00 C ATOM 503 C ASP A 31 8.113 -34.704 -7.389 1.00 0.00 C ATOM 504 O ASP A 31 9.274 -34.531 -7.765 1.00 0.00 O ATOM 505 CB ASP A 31 7.316 -37.116 -6.997 1.00 0.00 C ATOM 506 CG ASP A 31 8.622 -37.917 -7.084 1.00 0.00 C ATOM 507 OD1 ASP A 31 9.618 -37.508 -6.490 1.00 0.00 O ATOM 508 OD2 ASP A 31 8.625 -38.985 -7.705 1.00 0.00 O ATOM 0 H ASP A 31 8.614 -36.266 -9.460 1.00 0.00 H new ATOM 0 HA ASP A 31 6.236 -35.477 -7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.173 -36.791 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.484 -37.776 -7.242 1.00 0.00 H new ATOM 513 N GLU A 32 7.517 -33.881 -6.516 1.00 0.00 N ATOM 514 CA GLU A 32 8.235 -32.821 -5.805 1.00 0.00 C ATOM 515 C GLU A 32 9.128 -33.422 -4.701 1.00 0.00 C ATOM 516 O GLU A 32 10.354 -33.279 -4.735 1.00 0.00 O ATOM 517 CB GLU A 32 7.209 -31.789 -5.257 1.00 0.00 C ATOM 518 CG GLU A 32 7.821 -30.519 -4.578 1.00 0.00 C ATOM 519 CD GLU A 32 8.566 -29.601 -5.552 1.00 0.00 C ATOM 520 OE1 GLU A 32 7.911 -28.937 -6.353 1.00 0.00 O ATOM 521 OE2 GLU A 32 9.790 -29.545 -5.477 1.00 0.00 O ATOM 0 H GLU A 32 6.525 -33.933 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 32 8.903 -32.295 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.571 -31.467 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.567 -32.292 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.022 -29.954 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.507 -30.833 -3.791 1.00 0.00 H new ATOM 528 N THR A 33 8.530 -34.172 -3.764 1.00 0.00 N ATOM 529 CA THR A 33 9.260 -34.806 -2.655 1.00 0.00 C ATOM 530 C THR A 33 8.702 -36.195 -2.274 1.00 0.00 C ATOM 531 O THR A 33 7.575 -36.567 -2.622 1.00 0.00 O ATOM 532 CB THR A 33 9.375 -33.854 -1.427 1.00 0.00 C ATOM 533 OG1 THR A 33 10.194 -34.452 -0.432 1.00 0.00 O ATOM 534 CG2 THR A 33 8.056 -33.467 -0.757 1.00 0.00 C ATOM 0 H THR A 33 7.527 -34.357 -3.753 1.00 0.00 H new ATOM 0 HA THR A 33 10.271 -34.990 -3.018 1.00 0.00 H new ATOM 0 HB THR A 33 9.798 -32.938 -1.839 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.630 -34.924 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.256 -32.803 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.418 -32.957 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.553 -34.365 -0.399 1.00 0.00 H new ATOM 542 N CYS A 34 9.511 -36.933 -1.501 1.00 0.00 N ATOM 543 CA CYS A 34 9.323 -38.351 -1.170 1.00 0.00 C ATOM 544 C CYS A 34 7.990 -38.666 -0.468 1.00 0.00 C ATOM 545 O CYS A 34 7.201 -39.491 -0.929 1.00 0.00 O ATOM 546 CB CYS A 34 10.482 -38.803 -0.240 1.00 0.00 C ATOM 547 SG CYS A 34 12.144 -38.680 -0.945 1.00 0.00 S ATOM 0 H CYS A 34 10.349 -36.541 -1.072 1.00 0.00 H new ATOM 0 HA CYS A 34 9.314 -38.888 -2.118 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.448 -38.205 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.307 -39.838 0.052 1.00 0.00 H new ATOM 552 N GLU A 35 7.743 -37.960 0.641 1.00 0.00 N ATOM 553 CA GLU A 35 6.555 -38.131 1.482 1.00 0.00 C ATOM 554 C GLU A 35 5.266 -37.533 0.881 1.00 0.00 C ATOM 555 O GLU A 35 4.189 -37.729 1.436 1.00 0.00 O ATOM 556 CB GLU A 35 6.797 -37.651 2.952 1.00 0.00 C ATOM 557 CG GLU A 35 7.332 -36.195 3.180 1.00 0.00 C ATOM 558 CD GLU A 35 8.810 -36.044 2.815 1.00 0.00 C ATOM 559 OE1 GLU A 35 9.672 -36.390 3.625 1.00 0.00 O ATOM 560 OE2 GLU A 35 9.088 -35.651 1.680 1.00 0.00 O ATOM 0 H GLU A 35 8.377 -37.239 0.985 1.00 0.00 H new ATOM 0 HA GLU A 35 6.383 -39.207 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.855 -37.748 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.503 -38.341 3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.742 -35.498 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.190 -35.920 4.225 1.00 0.00 H new ATOM 567 N GLU A 36 5.337 -36.812 -0.244 1.00 0.00 N ATOM 568 CA GLU A 36 4.172 -36.411 -1.037 1.00 0.00 C ATOM 569 C GLU A 36 3.673 -37.590 -1.904 1.00 0.00 C ATOM 570 O GLU A 36 2.515 -38.029 -1.799 1.00 0.00 O ATOM 571 CB GLU A 36 4.611 -35.141 -1.821 1.00 0.00 C ATOM 572 CG GLU A 36 3.695 -34.616 -2.972 1.00 0.00 C ATOM 573 CD GLU A 36 4.224 -34.980 -4.367 1.00 0.00 C ATOM 574 OE1 GLU A 36 5.379 -34.682 -4.678 1.00 0.00 O ATOM 575 OE2 GLU A 36 3.461 -35.555 -5.142 1.00 0.00 O ATOM 0 H GLU A 36 6.221 -36.486 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 36 3.301 -36.157 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.732 -34.333 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.595 -35.339 -2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.693 -35.028 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.606 -33.532 -2.894 1.00 0.00 H new ATOM 582 N ARG A 37 4.586 -38.163 -2.708 1.00 0.00 N ATOM 583 CA ARG A 37 4.285 -39.379 -3.460 1.00 0.00 C ATOM 584 C ARG A 37 4.028 -40.562 -2.507 1.00 0.00 C ATOM 585 O ARG A 37 3.100 -41.330 -2.752 1.00 0.00 O ATOM 586 CB ARG A 37 5.386 -39.702 -4.501 1.00 0.00 C ATOM 587 CG ARG A 37 4.769 -40.394 -5.747 1.00 0.00 C ATOM 588 CD ARG A 37 5.793 -40.818 -6.807 1.00 0.00 C ATOM 589 NE ARG A 37 6.427 -42.073 -6.415 1.00 0.00 N ATOM 590 CZ ARG A 37 7.615 -42.470 -6.776 1.00 0.00 C ATOM 591 NH1 ARG A 37 8.521 -41.741 -7.318 1.00 0.00 N ATOM 592 NH2 ARG A 37 7.928 -43.674 -6.519 1.00 0.00 N ATOM 0 H ARG A 37 5.529 -37.802 -2.849 1.00 0.00 H new ATOM 0 HA ARG A 37 3.369 -39.203 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.892 -38.784 -4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.139 -40.350 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.215 -41.274 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.049 -39.716 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.301 -40.935 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.548 -40.041 -6.926 1.00 0.00 H new ATOM 0 HE ARG A 37 5.894 -42.693 -5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.339 -40.754 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.423 -42.148 -7.565 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.260 -44.285 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.847 -44.029 -6.783 1.00 0.00 H new ATOM 606 N ALA A 38 4.784 -40.726 -1.412 1.00 0.00 N ATOM 607 CA ALA A 38 4.459 -41.710 -0.381 1.00 0.00 C ATOM 608 C ALA A 38 3.497 -41.245 0.743 1.00 0.00 C ATOM 609 O ALA A 38 3.340 -41.923 1.759 1.00 0.00 O ATOM 610 CB ALA A 38 5.741 -42.399 0.074 1.00 0.00 C ATOM 0 H ALA A 38 5.627 -40.185 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 38 3.819 -42.463 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.506 -43.134 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.207 -42.899 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.429 -41.657 0.480 1.00 0.00 H new ATOM 616 N ALA A 39 2.851 -40.074 0.632 1.00 0.00 N ATOM 617 CA ALA A 39 1.474 -39.908 1.103 1.00 0.00 C ATOM 618 C ALA A 39 0.469 -40.665 0.216 1.00 0.00 C ATOM 619 O ALA A 39 -0.501 -41.214 0.749 1.00 0.00 O ATOM 620 CB ALA A 39 1.099 -38.415 1.183 1.00 0.00 C ATOM 0 H ALA A 39 3.260 -39.234 0.222 1.00 0.00 H new ATOM 0 HA ALA A 39 1.422 -40.338 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.072 -38.316 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.771 -37.908 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.189 -37.964 0.195 1.00 0.00 H new ATOM 626 N ARG A 40 0.653 -40.678 -1.117 1.00 0.00 N ATOM 627 CA ARG A 40 -0.140 -41.564 -1.994 1.00 0.00 C ATOM 628 C ARG A 40 0.204 -43.071 -1.850 1.00 0.00 C ATOM 629 O ARG A 40 -0.705 -43.903 -1.857 1.00 0.00 O ATOM 630 CB ARG A 40 -0.041 -41.135 -3.480 1.00 0.00 C ATOM 631 CG ARG A 40 -0.491 -39.682 -3.744 1.00 0.00 C ATOM 632 CD ARG A 40 -0.511 -39.368 -5.248 1.00 0.00 C ATOM 633 NE ARG A 40 -0.573 -37.916 -5.433 1.00 0.00 N ATOM 634 CZ ARG A 40 0.455 -37.111 -5.476 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.667 -37.479 -5.319 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.268 -35.867 -5.670 1.00 0.00 N ATOM 0 H ARG A 40 1.332 -40.095 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.169 -41.446 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.990 -41.252 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.649 -41.809 -4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.485 -39.525 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.183 -38.992 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.381 -39.771 -5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.370 -39.844 -5.720 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.498 -37.498 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.884 -38.461 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.419 -36.791 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.678 -35.506 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.065 -35.231 -5.705 1.00 0.00 H new ATOM 650 N ILE A 41 1.484 -43.480 -1.790 1.00 0.00 N ATOM 651 CA ILE A 41 1.916 -44.831 -1.394 1.00 0.00 C ATOM 652 C ILE A 41 1.669 -45.138 0.105 1.00 0.00 C ATOM 653 O ILE A 41 2.469 -44.997 1.030 1.00 0.00 O ATOM 654 CB ILE A 41 3.342 -45.215 -1.906 1.00 0.00 C ATOM 655 CG1 ILE A 41 3.425 -45.184 -3.449 1.00 0.00 C ATOM 656 CG2 ILE A 41 3.764 -46.595 -1.491 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.193 -43.959 -3.845 1.00 0.00 C ATOM 0 H ILE A 41 2.264 -42.865 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 41 1.254 -45.513 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 41 4.000 -44.471 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.919 -46.081 -3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.426 -45.165 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.762 -46.802 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.775 -46.660 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.062 -47.326 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.267 -43.911 -4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.678 -43.072 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.193 -44.002 -3.415 1.00 0.00 H new ATOM 669 N LYS A 42 0.429 -45.594 0.213 1.00 0.00 N ATOM 670 CA LYS A 42 -0.287 -45.935 1.448 1.00 0.00 C ATOM 671 C LYS A 42 -0.205 -47.407 1.909 1.00 0.00 C ATOM 672 O LYS A 42 -0.801 -47.748 2.932 1.00 0.00 O ATOM 673 CB LYS A 42 -1.784 -45.546 1.247 1.00 0.00 C ATOM 674 CG LYS A 42 -2.114 -44.063 1.526 1.00 0.00 C ATOM 675 CD LYS A 42 -2.235 -43.767 3.040 1.00 0.00 C ATOM 676 CE LYS A 42 -2.589 -42.311 3.354 1.00 0.00 C ATOM 677 NZ LYS A 42 -1.425 -41.469 3.107 1.00 0.00 N ATOM 0 H LYS A 42 -0.149 -45.748 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 42 0.209 -45.378 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.071 -45.780 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.397 -46.168 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.337 -43.432 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.049 -43.801 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.997 -44.418 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.292 -44.016 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.425 -41.986 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.906 -42.218 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.547 -40.557 3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.572 -41.942 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.325 -41.306 2.085 1.00 0.00 H new ATOM 691 N ILE A 43 0.536 -48.279 1.211 1.00 0.00 N ATOM 692 CA ILE A 43 0.425 -49.744 1.334 1.00 0.00 C ATOM 693 C ILE A 43 0.809 -50.305 2.727 1.00 0.00 C ATOM 694 O ILE A 43 0.173 -51.259 3.185 1.00 0.00 O ATOM 695 CB ILE A 43 1.196 -50.409 0.135 1.00 0.00 C ATOM 696 CG1 ILE A 43 0.557 -49.983 -1.225 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.241 -51.960 0.220 1.00 0.00 C ATOM 698 CD1 ILE A 43 1.447 -50.240 -2.462 1.00 0.00 C ATOM 0 H ILE A 43 1.240 -47.985 0.535 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.629 -50.015 1.265 1.00 0.00 H new ATOM 0 HB ILE A 43 2.224 -50.052 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.384 -50.518 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.316 -48.921 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.787 -52.356 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.743 -52.260 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.225 -52.354 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.924 -49.914 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.378 -49.683 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.668 -51.305 -2.537 1.00 0.00 H new ATOM 710 N GLY A 44 1.798 -49.744 3.441 1.00 0.00 N ATOM 711 CA GLY A 44 2.096 -50.164 4.821 1.00 0.00 C ATOM 712 C GLY A 44 3.221 -49.394 5.548 1.00 0.00 C ATOM 713 O GLY A 44 3.959 -48.657 4.886 1.00 0.00 O ATOM 0 H GLY A 44 2.403 -49.002 3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.184 -50.072 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.361 -51.221 4.806 1.00 0.00 H new ATOM 717 N PRO A 45 3.419 -49.544 6.884 1.00 0.00 N ATOM 718 CA PRO A 45 4.471 -48.848 7.654 1.00 0.00 C ATOM 719 C PRO A 45 5.923 -49.189 7.251 1.00 0.00 C ATOM 720 O PRO A 45 6.749 -48.287 7.076 1.00 0.00 O ATOM 721 CB PRO A 45 4.141 -49.177 9.122 1.00 0.00 C ATOM 722 CG PRO A 45 3.394 -50.495 9.046 1.00 0.00 C ATOM 723 CD PRO A 45 2.564 -50.345 7.772 1.00 0.00 C ATOM 0 HA PRO A 45 4.455 -47.777 7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.045 -49.265 9.724 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.530 -48.398 9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.076 -51.343 8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.765 -50.654 9.922 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.329 -51.314 7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.615 -49.846 7.970 1.00 0.00 H new ATOM 731 N LYS A 46 6.234 -50.483 7.077 1.00 0.00 N ATOM 732 CA LYS A 46 7.496 -50.934 6.488 1.00 0.00 C ATOM 733 C LYS A 46 7.676 -50.512 5.019 1.00 0.00 C ATOM 734 O LYS A 46 8.817 -50.345 4.584 1.00 0.00 O ATOM 735 CB LYS A 46 7.656 -52.465 6.611 1.00 0.00 C ATOM 736 CG LYS A 46 8.245 -52.930 7.957 1.00 0.00 C ATOM 737 CD LYS A 46 8.779 -54.365 7.793 1.00 0.00 C ATOM 738 CE LYS A 46 9.632 -54.815 8.973 1.00 0.00 C ATOM 739 NZ LYS A 46 10.428 -55.941 8.502 1.00 0.00 N ATOM 0 H LYS A 46 5.612 -51.246 7.343 1.00 0.00 H new ATOM 0 HA LYS A 46 8.277 -50.436 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.682 -52.934 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.298 -52.818 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.047 -52.262 8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.482 -52.897 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.939 -55.049 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.370 -54.426 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.273 -54.005 9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.005 -55.108 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.159 -56.168 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.812 -56.768 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.881 -55.692 7.600 1.00 0.00 H new ATOM 753 N CYS A 47 6.572 -50.332 4.273 1.00 0.00 N ATOM 754 CA CYS A 47 6.591 -49.800 2.910 1.00 0.00 C ATOM 755 C CYS A 47 7.082 -48.343 2.946 1.00 0.00 C ATOM 756 O CYS A 47 8.130 -48.090 2.351 1.00 0.00 O ATOM 757 CB CYS A 47 5.175 -49.914 2.283 1.00 0.00 C ATOM 758 SG CYS A 47 4.958 -49.786 0.484 1.00 0.00 S ATOM 0 H CYS A 47 5.635 -50.556 4.608 1.00 0.00 H new ATOM 0 HA CYS A 47 7.275 -50.377 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.762 -50.875 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.557 -49.141 2.739 1.00 0.00 H new ATOM 763 N VAL A 48 6.402 -47.401 3.639 1.00 0.00 N ATOM 764 CA VAL A 48 6.927 -46.039 3.844 1.00 0.00 C ATOM 765 C VAL A 48 8.368 -45.966 4.385 1.00 0.00 C ATOM 766 O VAL A 48 9.131 -45.124 3.914 1.00 0.00 O ATOM 767 CB VAL A 48 6.017 -45.081 4.693 1.00 0.00 C ATOM 768 CG1 VAL A 48 5.560 -43.913 3.831 1.00 0.00 C ATOM 769 CG2 VAL A 48 4.753 -45.689 5.290 1.00 0.00 C ATOM 0 H VAL A 48 5.489 -47.563 4.064 1.00 0.00 H new ATOM 0 HA VAL A 48 6.928 -45.675 2.817 1.00 0.00 H new ATOM 0 HB VAL A 48 6.659 -44.799 5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.929 -43.250 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.430 -43.362 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.993 -44.289 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.213 -44.927 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.118 -46.067 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.023 -46.508 5.957 1.00 0.00 H new ATOM 779 N LYS A 49 8.757 -46.820 5.350 1.00 0.00 N ATOM 780 CA LYS A 49 10.148 -46.902 5.827 1.00 0.00 C ATOM 781 C LYS A 49 11.164 -47.310 4.728 1.00 0.00 C ATOM 782 O LYS A 49 12.098 -46.540 4.475 1.00 0.00 O ATOM 783 CB LYS A 49 10.209 -47.853 7.049 1.00 0.00 C ATOM 784 CG LYS A 49 11.506 -47.806 7.904 1.00 0.00 C ATOM 785 CD LYS A 49 11.566 -46.674 8.969 1.00 0.00 C ATOM 786 CE LYS A 49 12.179 -45.332 8.536 1.00 0.00 C ATOM 787 NZ LYS A 49 13.611 -45.500 8.321 1.00 0.00 N ATOM 0 H LYS A 49 8.121 -47.467 5.817 1.00 0.00 H new ATOM 0 HA LYS A 49 10.454 -45.899 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.364 -47.627 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.073 -48.874 6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.621 -48.764 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.358 -47.696 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.551 -46.485 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.133 -47.044 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.702 -44.980 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.001 -44.575 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.052 -44.569 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.035 -45.960 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.769 -46.091 7.480 1.00 0.00 H new ATOM 801 N ALA A 50 10.986 -48.465 4.050 1.00 0.00 N ATOM 802 CA ALA A 50 11.775 -48.883 2.874 1.00 0.00 C ATOM 803 C ALA A 50 11.788 -47.768 1.797 1.00 0.00 C ATOM 804 O ALA A 50 12.866 -47.356 1.356 1.00 0.00 O ATOM 805 CB ALA A 50 11.156 -50.204 2.348 1.00 0.00 C ATOM 0 H ALA A 50 10.274 -49.146 4.312 1.00 0.00 H new ATOM 0 HA ALA A 50 12.818 -49.053 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.714 -50.545 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.202 -50.963 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.116 -50.033 2.069 1.00 0.00 H new ATOM 811 N PHE A 51 10.602 -47.210 1.468 1.00 0.00 N ATOM 812 CA PHE A 51 10.423 -46.085 0.539 1.00 0.00 C ATOM 813 C PHE A 51 11.277 -44.869 0.934 1.00 0.00 C ATOM 814 O PHE A 51 12.116 -44.461 0.135 1.00 0.00 O ATOM 815 CB PHE A 51 8.912 -45.681 0.525 1.00 0.00 C ATOM 816 CG PHE A 51 8.478 -44.858 -0.698 1.00 0.00 C ATOM 817 CD1 PHE A 51 8.932 -43.571 -0.949 1.00 0.00 C ATOM 818 CD2 PHE A 51 7.667 -45.426 -1.659 1.00 0.00 C ATOM 819 CE1 PHE A 51 8.628 -42.905 -2.119 1.00 0.00 C ATOM 820 CE2 PHE A 51 7.359 -44.779 -2.820 1.00 0.00 C ATOM 821 CZ PHE A 51 7.843 -43.514 -3.067 1.00 0.00 C ATOM 0 H PHE A 51 9.720 -47.544 1.856 1.00 0.00 H new ATOM 0 HA PHE A 51 10.748 -46.404 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.307 -46.587 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.695 -45.108 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.541 -43.076 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.264 -46.413 -1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.006 -41.908 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.730 -45.264 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.609 -43.008 -3.992 1.00 0.00 H new ATOM 831 N LYS A 52 11.091 -44.304 2.140 1.00 0.00 N ATOM 832 CA LYS A 52 11.828 -43.127 2.607 1.00 0.00 C ATOM 833 C LYS A 52 13.352 -43.323 2.671 1.00 0.00 C ATOM 834 O LYS A 52 14.083 -42.410 2.281 1.00 0.00 O ATOM 835 CB LYS A 52 11.277 -42.671 3.988 1.00 0.00 C ATOM 836 CG LYS A 52 10.016 -41.763 3.907 1.00 0.00 C ATOM 837 CD LYS A 52 10.307 -40.298 3.488 1.00 0.00 C ATOM 838 CE LYS A 52 11.009 -39.496 4.586 1.00 0.00 C ATOM 839 NZ LYS A 52 11.467 -38.229 4.025 1.00 0.00 N ATOM 0 H LYS A 52 10.418 -44.658 2.820 1.00 0.00 H new ATOM 0 HA LYS A 52 11.665 -42.349 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.037 -43.554 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.063 -42.135 4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.314 -42.199 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.523 -41.759 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.927 -40.298 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.370 -39.806 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.326 -39.316 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.853 -40.060 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.429 -38.027 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.471 -38.290 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.827 -37.466 4.324 1.00 0.00 H new ATOM 853 N ASP A 53 13.850 -44.492 3.110 1.00 0.00 N ATOM 854 CA ASP A 53 15.294 -44.748 3.140 1.00 0.00 C ATOM 855 C ASP A 53 15.920 -44.854 1.729 1.00 0.00 C ATOM 856 O ASP A 53 16.928 -44.187 1.441 1.00 0.00 O ATOM 857 CB ASP A 53 15.577 -45.983 4.037 1.00 0.00 C ATOM 858 CG ASP A 53 15.194 -45.736 5.497 1.00 0.00 C ATOM 859 OD1 ASP A 53 15.473 -44.667 6.040 1.00 0.00 O ATOM 860 OD2 ASP A 53 14.620 -46.627 6.123 1.00 0.00 O ATOM 0 H ASP A 53 13.277 -45.266 3.445 1.00 0.00 H new ATOM 0 HA ASP A 53 15.791 -43.885 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.022 -46.841 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.635 -46.238 3.979 1.00 0.00 H new ATOM 865 N CYS A 54 15.316 -45.655 0.833 1.00 0.00 N ATOM 866 CA CYS A 54 15.684 -45.657 -0.587 1.00 0.00 C ATOM 867 C CYS A 54 15.489 -44.292 -1.286 1.00 0.00 C ATOM 868 O CYS A 54 16.298 -43.947 -2.150 1.00 0.00 O ATOM 869 CB CYS A 54 14.899 -46.752 -1.334 1.00 0.00 C ATOM 870 SG CYS A 54 15.628 -48.414 -1.398 1.00 0.00 S ATOM 0 H CYS A 54 14.570 -46.309 1.072 1.00 0.00 H new ATOM 0 HA CYS A 54 16.753 -45.866 -0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 54 13.915 -46.834 -0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.743 -46.414 -2.358 1.00 0.00 H new ATOM 875 N CYS A 55 14.454 -43.505 -0.941 1.00 0.00 N ATOM 876 CA CYS A 55 14.264 -42.141 -1.451 1.00 0.00 C ATOM 877 C CYS A 55 15.354 -41.154 -0.980 1.00 0.00 C ATOM 878 O CYS A 55 15.758 -40.283 -1.760 1.00 0.00 O ATOM 879 CB CYS A 55 12.849 -41.643 -1.086 1.00 0.00 C ATOM 880 SG CYS A 55 12.244 -40.301 -2.141 1.00 0.00 S ATOM 0 H CYS A 55 13.722 -43.803 -0.296 1.00 0.00 H new ATOM 0 HA CYS A 55 14.363 -42.181 -2.536 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.154 -42.480 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.850 -41.304 -0.050 1.00 0.00 H new ATOM 885 N TYR A 56 15.855 -41.248 0.265 1.00 0.00 N ATOM 886 CA TYR A 56 17.084 -40.548 0.660 1.00 0.00 C ATOM 887 C TYR A 56 18.316 -40.987 -0.154 1.00 0.00 C ATOM 888 O TYR A 56 19.097 -40.111 -0.535 1.00 0.00 O ATOM 889 CB TYR A 56 17.362 -40.651 2.186 1.00 0.00 C ATOM 890 CG TYR A 56 16.369 -39.845 3.046 1.00 0.00 C ATOM 891 CD1 TYR A 56 16.014 -38.533 2.757 1.00 0.00 C ATOM 892 CD2 TYR A 56 15.808 -40.405 4.182 1.00 0.00 C ATOM 893 CE1 TYR A 56 15.139 -37.824 3.556 1.00 0.00 C ATOM 894 CE2 TYR A 56 14.937 -39.703 4.991 1.00 0.00 C ATOM 895 CZ TYR A 56 14.600 -38.411 4.670 1.00 0.00 C ATOM 896 OH TYR A 56 13.714 -37.711 5.432 1.00 0.00 O ATOM 0 H TYR A 56 15.428 -41.800 1.009 1.00 0.00 H new ATOM 0 HA TYR A 56 16.904 -39.499 0.426 1.00 0.00 H new ATOM 0 HB2 TYR A 56 17.323 -41.698 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 56 18.374 -40.300 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.434 -38.055 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.060 -41.422 4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.880 -36.807 3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.522 -40.168 5.873 1.00 0.00 H new ATOM 0 HH TYR A 56 13.421 -38.265 6.186 1.00 0.00 H new ATOM 906 N ILE A 57 18.513 -42.286 -0.450 1.00 0.00 N ATOM 907 CA ILE A 57 19.561 -42.726 -1.402 1.00 0.00 C ATOM 908 C ILE A 57 19.364 -42.167 -2.827 1.00 0.00 C ATOM 909 O ILE A 57 20.324 -41.725 -3.468 1.00 0.00 O ATOM 910 CB ILE A 57 19.702 -44.287 -1.428 1.00 0.00 C ATOM 911 CG1 ILE A 57 19.909 -44.911 -0.028 1.00 0.00 C ATOM 912 CG2 ILE A 57 20.812 -44.813 -2.378 1.00 0.00 C ATOM 913 CD1 ILE A 57 20.981 -44.237 0.850 1.00 0.00 C ATOM 0 H ILE A 57 17.966 -43.048 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 57 20.494 -42.304 -1.029 1.00 0.00 H new ATOM 0 HB ILE A 57 18.738 -44.609 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.959 -44.885 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.175 -45.961 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.842 -45.902 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 57 20.598 -44.496 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.777 -44.411 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.044 -44.753 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.947 -44.286 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.712 -43.194 1.017 1.00 0.00 H new ATOM 925 N ALA A 58 18.115 -42.184 -3.304 1.00 0.00 N ATOM 926 CA ALA A 58 17.711 -41.553 -4.569 1.00 0.00 C ATOM 927 C ALA A 58 18.049 -40.048 -4.639 1.00 0.00 C ATOM 928 O ALA A 58 18.630 -39.605 -5.632 1.00 0.00 O ATOM 929 CB ALA A 58 16.216 -41.764 -4.801 1.00 0.00 C ATOM 0 H ALA A 58 17.344 -42.642 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 58 18.287 -42.037 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.924 -41.294 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.002 -42.832 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.654 -41.317 -3.981 1.00 0.00 H new ATOM 935 N ASN A 59 17.706 -39.260 -3.606 1.00 0.00 N ATOM 936 CA ASN A 59 18.117 -37.853 -3.502 1.00 0.00 C ATOM 937 C ASN A 59 19.636 -37.650 -3.310 1.00 0.00 C ATOM 938 O ASN A 59 20.179 -36.663 -3.812 1.00 0.00 O ATOM 939 CB ASN A 59 17.306 -37.123 -2.403 1.00 0.00 C ATOM 940 CG ASN A 59 15.852 -36.950 -2.842 1.00 0.00 C ATOM 941 OD1 ASN A 59 15.480 -35.976 -3.489 1.00 0.00 O ATOM 942 ND2 ASN A 59 14.959 -37.869 -2.543 1.00 0.00 N ATOM 0 H ASN A 59 17.137 -39.581 -2.822 1.00 0.00 H new ATOM 0 HA ASN A 59 17.889 -37.404 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.347 -37.691 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.750 -36.148 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.992 -37.759 -2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.234 -38.692 -2.006 1.00 0.00 H new ATOM 949 N GLN A 60 20.331 -38.555 -2.601 1.00 0.00 N ATOM 950 CA GLN A 60 21.797 -38.566 -2.522 1.00 0.00 C ATOM 951 C GLN A 60 22.459 -38.792 -3.901 1.00 0.00 C ATOM 952 O GLN A 60 23.320 -37.995 -4.289 1.00 0.00 O ATOM 953 CB GLN A 60 22.226 -39.670 -1.524 1.00 0.00 C ATOM 954 CG GLN A 60 23.696 -39.563 -1.043 1.00 0.00 C ATOM 955 CD GLN A 60 24.190 -40.903 -0.494 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.872 -41.322 0.613 1.00 0.00 O ATOM 957 NE2 GLN A 60 24.988 -41.627 -1.255 1.00 0.00 N ATOM 0 H GLN A 60 19.888 -39.301 -2.065 1.00 0.00 H new ATOM 0 HA GLN A 60 22.134 -37.589 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.569 -39.633 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.080 -40.643 -1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.332 -39.248 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.775 -38.798 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 60 25.259 -41.288 -2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 60 25.334 -42.526 -0.920 1.00 0.00 H new ATOM 966 N VAL A 61 22.076 -39.834 -4.664 1.00 0.00 N ATOM 967 CA VAL A 61 22.626 -40.072 -6.009 1.00 0.00 C ATOM 968 C VAL A 61 22.203 -38.997 -7.041 1.00 0.00 C ATOM 969 O VAL A 61 22.976 -38.682 -7.949 1.00 0.00 O ATOM 970 CB VAL A 61 22.378 -41.541 -6.486 1.00 0.00 C ATOM 971 CG1 VAL A 61 20.951 -41.847 -6.971 1.00 0.00 C ATOM 972 CG2 VAL A 61 23.393 -41.985 -7.559 1.00 0.00 C ATOM 0 H VAL A 61 21.386 -40.525 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 61 23.707 -39.960 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 61 22.521 -42.124 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 20.887 -42.891 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.244 -41.663 -6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.709 -41.204 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.180 -43.011 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.315 -41.330 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.402 -41.928 -7.151 1.00 0.00 H new ATOM 982 N ARG A 62 21.006 -38.397 -6.896 1.00 0.00 N ATOM 983 CA ARG A 62 20.563 -37.225 -7.667 1.00 0.00 C ATOM 984 C ARG A 62 21.507 -36.011 -7.509 1.00 0.00 C ATOM 985 O ARG A 62 21.730 -35.270 -8.467 1.00 0.00 O ATOM 986 CB ARG A 62 19.141 -36.838 -7.172 1.00 0.00 C ATOM 987 CG ARG A 62 18.190 -36.175 -8.196 1.00 0.00 C ATOM 988 CD ARG A 62 17.609 -37.199 -9.181 1.00 0.00 C ATOM 989 NE ARG A 62 16.331 -36.687 -9.676 1.00 0.00 N ATOM 990 CZ ARG A 62 15.305 -37.424 -9.998 1.00 0.00 C ATOM 991 NH1 ARG A 62 15.339 -38.699 -10.106 1.00 0.00 N ATOM 992 NH2 ARG A 62 14.189 -36.859 -10.233 1.00 0.00 N ATOM 0 H ARG A 62 20.308 -38.721 -6.226 1.00 0.00 H new ATOM 0 HA ARG A 62 20.566 -37.491 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 62 18.657 -37.740 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.251 -36.160 -6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.377 -35.677 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.730 -35.405 -8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.299 -37.363 -10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.467 -38.161 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 62 16.235 -35.677 -9.777 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.210 -39.202 -9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.495 -39.212 -10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.107 -35.844 -10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.376 -37.421 -10.486 1.00 0.00 H new ATOM 1006 N ALA A 63 22.050 -35.795 -6.300 1.00 0.00 N ATOM 1007 CA ALA A 63 23.115 -34.822 -6.060 1.00 0.00 C ATOM 1008 C ALA A 63 24.498 -35.294 -6.562 1.00 0.00 C ATOM 1009 O ALA A 63 25.183 -34.527 -7.243 1.00 0.00 O ATOM 1010 CB ALA A 63 23.146 -34.503 -4.551 1.00 0.00 C ATOM 0 H ALA A 63 21.757 -36.296 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 63 22.895 -33.923 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 63 23.934 -33.778 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 63 22.185 -34.088 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.341 -35.417 -3.990 1.00 0.00 H new ATOM 1016 N GLU A 64 24.914 -36.537 -6.255 1.00 0.00 N ATOM 1017 CA GLU A 64 26.204 -37.098 -6.692 1.00 0.00 C ATOM 1018 C GLU A 64 26.349 -37.278 -8.218 1.00 0.00 C ATOM 1019 O GLU A 64 27.445 -37.065 -8.737 1.00 0.00 O ATOM 1020 CB GLU A 64 26.479 -38.454 -5.995 1.00 0.00 C ATOM 1021 CG GLU A 64 26.615 -38.348 -4.448 1.00 0.00 C ATOM 1022 CD GLU A 64 26.798 -39.716 -3.791 1.00 0.00 C ATOM 1023 OE1 GLU A 64 25.808 -40.429 -3.615 1.00 0.00 O ATOM 1024 OE2 GLU A 64 27.924 -40.048 -3.436 1.00 0.00 O ATOM 0 H GLU A 64 24.360 -37.183 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 64 26.942 -36.352 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 25.670 -39.145 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.395 -38.882 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.465 -37.712 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.727 -37.866 -4.039 1.00 0.00 H new