USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 553 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 597 MET CE :methyl -104:sc= -3.31 (180deg=-7.84!) USER MOD Set 1.2: A 600 MET CE :methyl -105:sc= -6.39! (180deg=-10.9!) USER MOD Set 2.1: A 561 CYS SG : rot 130:sc= -0.739 USER MOD Set 2.2: A 596 MET CE :methyl -129:sc= -0.0605 (180deg=-0.299) USER MOD Single : A 544 ASN : amide:sc= -2.4! X(o=-2.4!,f=-2.1) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 MET CE :methyl -161:sc= -0.0184 (180deg=-0.245) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= -0.0212 K(o=-0.021,f=-0.83!) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.486 F(o=-1.4,f=-0.49) USER MOD Single : A 566 TYR OH : rot 2:sc= -1.66! USER MOD Single : A 570 LYS NZ :NH3+ 151:sc= -0.0762 (180deg=-1.1) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot 67:sc= -0.012 USER MOD Single : A 598 ASN : amide:sc= -1.75 K(o=-1.7,f=-8.2!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.702 11.317 5.671 1.00 0.00 N ATOM 60 CA GLY A 539 -4.922 10.100 5.808 1.00 0.00 C ATOM 61 C GLY A 539 -5.781 8.896 6.140 1.00 0.00 C ATOM 62 O GLY A 539 -6.517 8.904 7.127 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.381 9.912 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.175 10.237 6.590 1.00 0.00 H new ATOM 66 N ILE A 540 -5.689 7.859 5.315 1.00 0.00 N ATOM 67 CA ILE A 540 -6.464 6.643 5.526 1.00 0.00 C ATOM 68 C ILE A 540 -5.881 5.811 6.663 1.00 0.00 C ATOM 69 O ILE A 540 -4.921 6.219 7.317 1.00 0.00 O ATOM 70 CB ILE A 540 -6.519 5.782 4.251 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.182 5.070 4.031 1.00 0.00 C ATOM 72 CG2 ILE A 540 -6.872 6.641 3.046 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.213 4.061 2.905 1.00 0.00 C ATOM 0 H ILE A 540 -5.085 7.837 4.493 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.475 6.954 5.788 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.295 5.027 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.414 5.814 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.893 4.565 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -6.907 6.018 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -7.846 7.105 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.117 7.416 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.232 3.596 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.958 3.295 3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.471 4.564 1.973 1.00 0.00 H new ATOM 85 N PHE A 541 -6.468 4.641 6.894 1.00 0.00 N ATOM 86 CA PHE A 541 -6.007 3.750 7.952 1.00 0.00 C ATOM 87 C PHE A 541 -6.147 2.289 7.532 1.00 0.00 C ATOM 88 O PHE A 541 -7.170 1.886 6.979 1.00 0.00 O ATOM 89 CB PHE A 541 -6.797 4.000 9.239 1.00 0.00 C ATOM 90 CG PHE A 541 -6.057 3.601 10.483 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.998 2.273 10.875 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.420 4.554 11.262 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.317 1.902 12.019 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.737 4.189 12.407 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.687 2.862 12.787 1.00 0.00 C ATOM 0 H PHE A 541 -7.264 4.288 6.363 1.00 0.00 H new ATOM 0 HA PHE A 541 -4.953 3.958 8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.051 5.058 9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.736 3.449 9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.490 1.519 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.458 5.593 10.971 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.277 0.863 12.312 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.243 4.941 13.004 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.156 2.575 13.683 1.00 0.00 H new ATOM 105 N VAL A 542 -5.110 1.501 7.798 1.00 0.00 N ATOM 106 CA VAL A 542 -5.116 0.086 7.449 1.00 0.00 C ATOM 107 C VAL A 542 -5.016 -0.788 8.695 1.00 0.00 C ATOM 108 O VAL A 542 -4.426 -0.389 9.699 1.00 0.00 O ATOM 109 CB VAL A 542 -3.957 -0.262 6.497 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.154 -1.647 5.899 1.00 0.00 C ATOM 111 CG2 VAL A 542 -3.834 0.787 5.403 1.00 0.00 C ATOM 0 H VAL A 542 -4.255 1.819 8.254 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.062 -0.112 6.945 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.029 -0.268 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.325 -1.875 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.189 -2.387 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.090 -1.672 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.010 0.525 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -4.761 0.827 4.832 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.642 1.761 5.853 1.00 0.00 H new ATOM 121 N ARG A 543 -5.596 -1.981 8.622 1.00 0.00 N ATOM 122 CA ARG A 543 -5.572 -2.912 9.744 1.00 0.00 C ATOM 123 C ARG A 543 -5.388 -4.346 9.257 1.00 0.00 C ATOM 124 O ARG A 543 -5.741 -4.678 8.126 1.00 0.00 O ATOM 125 CB ARG A 543 -6.865 -2.799 10.555 1.00 0.00 C ATOM 126 CG ARG A 543 -6.816 -1.728 11.633 1.00 0.00 C ATOM 127 CD ARG A 543 -8.074 -1.740 12.487 1.00 0.00 C ATOM 128 NE ARG A 543 -8.253 -3.013 13.180 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.847 -4.069 12.635 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.316 -4.004 11.396 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.972 -5.193 13.329 1.00 0.00 N ATOM 0 H ARG A 543 -6.088 -2.326 7.798 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.727 -2.652 10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.691 -2.583 9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -7.077 -3.762 11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.943 -1.887 12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.699 -0.748 11.169 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -8.023 -0.933 13.218 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.942 -1.545 11.857 1.00 0.00 H new ATOM 0 HE ARG A 543 -7.903 -3.096 14.134 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.221 -3.142 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.772 -4.816 10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -8.612 -5.247 14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -9.428 -6.003 12.910 1.00 0.00 H new ATOM 145 N ASN A 544 -4.834 -5.192 10.119 1.00 0.00 N ATOM 146 CA ASN A 544 -4.602 -6.590 9.776 1.00 0.00 C ATOM 147 C ASN A 544 -3.415 -6.728 8.827 1.00 0.00 C ATOM 148 O ASN A 544 -3.418 -7.573 7.931 1.00 0.00 O ATOM 149 CB ASN A 544 -5.854 -7.195 9.137 1.00 0.00 C ATOM 150 CG ASN A 544 -5.864 -8.710 9.207 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.489 -9.297 10.090 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.171 -9.349 8.272 1.00 0.00 N ATOM 0 H ASN A 544 -4.537 -4.934 11.060 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.374 -7.130 10.695 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.739 -6.805 9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -5.914 -6.882 8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.142 -10.369 8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.668 -8.820 7.559 1.00 0.00 H new ATOM 159 N LEU A 545 -2.402 -5.894 9.030 1.00 0.00 N ATOM 160 CA LEU A 545 -1.208 -5.922 8.193 1.00 0.00 C ATOM 161 C LEU A 545 -0.182 -6.909 8.741 1.00 0.00 C ATOM 162 O LEU A 545 0.012 -7.033 9.951 1.00 0.00 O ATOM 163 CB LEU A 545 -0.591 -4.526 8.103 1.00 0.00 C ATOM 164 CG LEU A 545 -1.310 -3.532 7.190 1.00 0.00 C ATOM 165 CD1 LEU A 545 -0.929 -2.104 7.550 1.00 0.00 C ATOM 166 CD2 LEU A 545 -0.989 -3.819 5.731 1.00 0.00 C ATOM 0 H LEU A 545 -2.383 -5.189 9.767 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.502 -6.248 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.551 -4.103 9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.438 -4.627 7.758 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.384 -3.647 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.450 -1.411 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.210 -1.902 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 545 0.147 -1.975 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.509 -3.102 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 545 0.086 -3.732 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.313 -4.829 5.479 1.00 0.00 H new ATOM 178 N PRO A 546 0.493 -7.628 7.831 1.00 0.00 N ATOM 179 CA PRO A 546 1.512 -8.615 8.200 1.00 0.00 C ATOM 180 C PRO A 546 2.771 -7.965 8.765 1.00 0.00 C ATOM 181 O PRO A 546 3.181 -6.893 8.319 1.00 0.00 O ATOM 182 CB PRO A 546 1.821 -9.317 6.876 1.00 0.00 C ATOM 183 CG PRO A 546 1.472 -8.319 5.827 1.00 0.00 C ATOM 184 CD PRO A 546 0.313 -7.532 6.373 1.00 0.00 C ATOM 0 HA PRO A 546 1.163 -9.288 8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.871 -9.604 6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.235 -10.229 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.319 -7.668 5.611 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.203 -8.812 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.334 -6.497 6.033 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.642 -7.952 6.057 1.00 0.00 H new ATOM 192 N PHE A 547 3.380 -8.620 9.747 1.00 0.00 N ATOM 193 CA PHE A 547 4.592 -8.105 10.373 1.00 0.00 C ATOM 194 C PHE A 547 5.627 -7.722 9.319 1.00 0.00 C ATOM 195 O PHE A 547 6.095 -6.584 9.278 1.00 0.00 O ATOM 196 CB PHE A 547 5.181 -9.147 11.327 1.00 0.00 C ATOM 197 CG PHE A 547 4.228 -9.577 12.406 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.657 -8.645 13.256 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.905 -10.915 12.569 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.779 -9.038 14.250 1.00 0.00 C ATOM 201 CE2 PHE A 547 3.029 -11.314 13.560 1.00 0.00 C ATOM 202 CZ PHE A 547 2.466 -10.374 14.402 1.00 0.00 C ATOM 0 H PHE A 547 3.054 -9.509 10.127 1.00 0.00 H new ATOM 0 HA PHE A 547 4.328 -7.212 10.939 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.487 -10.022 10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 547 6.080 -8.739 11.789 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.900 -7.599 13.142 1.00 0.00 H new ATOM 0 HD2 PHE A 547 4.343 -11.654 11.914 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.339 -8.301 14.906 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.784 -12.359 13.677 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.782 -10.684 15.178 1.00 0.00 H new ATOM 212 N ASP A 548 5.981 -8.680 8.470 1.00 0.00 N ATOM 213 CA ASP A 548 6.960 -8.444 7.416 1.00 0.00 C ATOM 214 C ASP A 548 6.745 -7.079 6.770 1.00 0.00 C ATOM 215 O ASP A 548 7.672 -6.493 6.210 1.00 0.00 O ATOM 216 CB ASP A 548 6.874 -9.543 6.355 1.00 0.00 C ATOM 217 CG ASP A 548 7.536 -10.832 6.801 1.00 0.00 C ATOM 218 OD1 ASP A 548 8.630 -10.760 7.399 1.00 0.00 O ATOM 219 OD2 ASP A 548 6.961 -11.912 6.552 1.00 0.00 O ATOM 0 H ASP A 548 5.604 -9.628 8.491 1.00 0.00 H new ATOM 0 HA ASP A 548 7.953 -8.461 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 548 5.827 -9.738 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 548 7.346 -9.195 5.436 1.00 0.00 H new ATOM 224 N PHE A 549 5.517 -6.578 6.851 1.00 0.00 N ATOM 225 CA PHE A 549 5.180 -5.283 6.273 1.00 0.00 C ATOM 226 C PHE A 549 5.926 -4.158 6.986 1.00 0.00 C ATOM 227 O PHE A 549 5.695 -3.895 8.167 1.00 0.00 O ATOM 228 CB PHE A 549 3.671 -5.041 6.355 1.00 0.00 C ATOM 229 CG PHE A 549 3.139 -4.186 5.241 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.849 -4.738 4.004 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.929 -2.829 5.431 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.361 -3.953 2.977 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.441 -2.039 4.408 1.00 0.00 C ATOM 234 CZ PHE A 549 2.155 -2.602 3.179 1.00 0.00 C ATOM 0 H PHE A 549 4.739 -7.050 7.312 1.00 0.00 H new ATOM 0 HA PHE A 549 5.484 -5.291 5.226 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.156 -6.002 6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.439 -4.567 7.309 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.006 -5.794 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.149 -2.384 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.141 -4.395 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.283 -0.983 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.771 -1.987 2.378 1.00 0.00 H new ATOM 244 N THR A 550 6.823 -3.498 6.260 1.00 0.00 N ATOM 245 CA THR A 550 7.604 -2.404 6.821 1.00 0.00 C ATOM 246 C THR A 550 7.164 -1.062 6.246 1.00 0.00 C ATOM 247 O THR A 550 6.616 -0.998 5.146 1.00 0.00 O ATOM 248 CB THR A 550 9.109 -2.594 6.555 1.00 0.00 C ATOM 249 OG1 THR A 550 9.321 -2.979 5.192 1.00 0.00 O ATOM 250 CG2 THR A 550 9.693 -3.650 7.482 1.00 0.00 C ATOM 0 H THR A 550 7.026 -3.703 5.282 1.00 0.00 H new ATOM 0 HA THR A 550 7.429 -2.410 7.897 1.00 0.00 H new ATOM 0 HB THR A 550 9.612 -1.646 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.280 -3.096 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.757 -3.767 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.556 -3.340 8.518 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.185 -4.600 7.317 1.00 0.00 H new ATOM 258 N TRP A 551 7.407 0.006 6.997 1.00 0.00 N ATOM 259 CA TRP A 551 7.036 1.347 6.560 1.00 0.00 C ATOM 260 C TRP A 551 7.281 1.521 5.066 1.00 0.00 C ATOM 261 O TRP A 551 6.442 2.065 4.347 1.00 0.00 O ATOM 262 CB TRP A 551 7.824 2.398 7.344 1.00 0.00 C ATOM 263 CG TRP A 551 9.294 2.379 7.050 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.235 1.576 7.628 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.990 3.202 6.108 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.474 1.850 7.102 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.351 2.844 6.167 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.596 4.206 5.220 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.316 3.455 5.372 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.555 4.812 4.431 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.902 4.435 4.511 1.00 0.00 C ATOM 0 H TRP A 551 7.859 -0.030 7.911 1.00 0.00 H new ATOM 0 HA TRP A 551 5.972 1.482 6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.427 3.387 7.113 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.672 2.235 8.411 1.00 0.00 H new ATOM 0 HD1 TRP A 551 10.035 0.834 8.387 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.345 1.388 7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.560 4.503 5.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.355 3.166 5.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.261 5.589 3.741 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.628 4.927 3.881 1.00 0.00 H new ATOM 282 N LYS A 552 8.436 1.055 4.602 1.00 0.00 N ATOM 283 CA LYS A 552 8.792 1.157 3.192 1.00 0.00 C ATOM 284 C LYS A 552 7.640 0.694 2.305 1.00 0.00 C ATOM 285 O LYS A 552 7.287 1.360 1.332 1.00 0.00 O ATOM 286 CB LYS A 552 10.042 0.324 2.898 1.00 0.00 C ATOM 287 CG LYS A 552 11.340 1.095 3.069 1.00 0.00 C ATOM 288 CD LYS A 552 11.564 2.070 1.926 1.00 0.00 C ATOM 289 CE LYS A 552 13.037 2.416 1.769 1.00 0.00 C ATOM 290 NZ LYS A 552 13.321 3.050 0.452 1.00 0.00 N ATOM 0 H LYS A 552 9.142 0.603 5.183 1.00 0.00 H new ATOM 0 HA LYS A 552 9.000 2.204 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.054 -0.543 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 552 9.985 -0.054 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.320 1.639 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 552 12.175 0.396 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 552 11.190 1.637 0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 552 10.992 2.981 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 552 13.339 3.091 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.636 1.511 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 14.335 3.270 0.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.057 2.396 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 12.769 3.927 0.363 1.00 0.00 H new ATOM 304 N MET A 553 7.058 -0.450 2.649 1.00 0.00 N ATOM 305 CA MET A 553 5.944 -1.000 1.885 1.00 0.00 C ATOM 306 C MET A 553 4.746 -0.055 1.914 1.00 0.00 C ATOM 307 O MET A 553 4.318 0.453 0.876 1.00 0.00 O ATOM 308 CB MET A 553 5.542 -2.368 2.440 1.00 0.00 C ATOM 309 CG MET A 553 6.680 -3.376 2.451 1.00 0.00 C ATOM 310 SD MET A 553 6.817 -4.285 0.900 1.00 0.00 S ATOM 311 CE MET A 553 5.409 -5.385 1.027 1.00 0.00 C ATOM 0 H MET A 553 7.339 -1.014 3.451 1.00 0.00 H new ATOM 0 HA MET A 553 6.268 -1.117 0.851 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.168 -2.243 3.456 1.00 0.00 H new ATOM 0 HB3 MET A 553 4.720 -2.766 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.618 -2.857 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 553 6.528 -4.081 3.269 1.00 0.00 H new ATOM 0 HE1 MET A 553 5.537 -6.221 0.339 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.333 -5.762 2.047 1.00 0.00 H new ATOM 0 HE3 MET A 553 4.499 -4.842 0.772 1.00 0.00 H new ATOM 321 N LEU A 554 4.209 0.176 3.106 1.00 0.00 N ATOM 322 CA LEU A 554 3.060 1.060 3.270 1.00 0.00 C ATOM 323 C LEU A 554 3.155 2.257 2.329 1.00 0.00 C ATOM 324 O LEU A 554 2.170 2.648 1.703 1.00 0.00 O ATOM 325 CB LEU A 554 2.965 1.542 4.719 1.00 0.00 C ATOM 326 CG LEU A 554 1.678 2.276 5.098 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.510 1.305 5.165 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.849 3.000 6.426 1.00 0.00 C ATOM 0 H LEU A 554 4.551 -0.237 3.974 1.00 0.00 H new ATOM 0 HA LEU A 554 2.161 0.496 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.075 0.679 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.809 2.203 4.917 1.00 0.00 H new ATOM 0 HG LEU A 554 1.464 3.017 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.397 1.845 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.374 0.832 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.715 0.541 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.924 3.517 6.680 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.087 2.277 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.659 3.725 6.344 1.00 0.00 H new ATOM 340 N LYS A 555 4.349 2.833 2.232 1.00 0.00 N ATOM 341 CA LYS A 555 4.575 3.983 1.365 1.00 0.00 C ATOM 342 C LYS A 555 4.606 3.561 -0.101 1.00 0.00 C ATOM 343 O LYS A 555 3.779 4.000 -0.900 1.00 0.00 O ATOM 344 CB LYS A 555 5.889 4.676 1.735 1.00 0.00 C ATOM 345 CG LYS A 555 6.025 6.072 1.152 1.00 0.00 C ATOM 346 CD LYS A 555 7.479 6.423 0.880 1.00 0.00 C ATOM 347 CE LYS A 555 7.697 7.928 0.874 1.00 0.00 C ATOM 348 NZ LYS A 555 8.024 8.446 2.231 1.00 0.00 N ATOM 0 H LYS A 555 5.175 2.522 2.743 1.00 0.00 H new ATOM 0 HA LYS A 555 3.750 4.681 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.966 4.736 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.723 4.064 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.454 6.138 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.597 6.799 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.113 5.965 1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 555 7.781 6.007 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 555 8.506 8.175 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 555 6.800 8.423 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 8.165 9.475 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 7.241 8.233 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 8.894 7.992 2.575 1.00 0.00 H new ATOM 362 N ASP A 556 5.564 2.708 -0.446 1.00 0.00 N ATOM 363 CA ASP A 556 5.701 2.225 -1.816 1.00 0.00 C ATOM 364 C ASP A 556 4.437 1.498 -2.264 1.00 0.00 C ATOM 365 O ASP A 556 3.746 1.940 -3.183 1.00 0.00 O ATOM 366 CB ASP A 556 6.908 1.294 -1.933 1.00 0.00 C ATOM 367 CG ASP A 556 6.802 0.354 -3.117 1.00 0.00 C ATOM 368 OD1 ASP A 556 6.537 0.838 -4.238 1.00 0.00 O ATOM 369 OD2 ASP A 556 6.985 -0.866 -2.924 1.00 0.00 O ATOM 0 H ASP A 556 6.257 2.337 0.203 1.00 0.00 H new ATOM 0 HA ASP A 556 5.853 3.087 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 556 7.815 1.891 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 556 7.003 0.711 -1.017 1.00 0.00 H new ATOM 374 N LYS A 557 4.140 0.380 -1.611 1.00 0.00 N ATOM 375 CA LYS A 557 2.960 -0.410 -1.941 1.00 0.00 C ATOM 376 C LYS A 557 1.788 0.493 -2.312 1.00 0.00 C ATOM 377 O LYS A 557 1.075 0.235 -3.283 1.00 0.00 O ATOM 378 CB LYS A 557 2.574 -1.306 -0.762 1.00 0.00 C ATOM 379 CG LYS A 557 1.186 -1.910 -0.885 1.00 0.00 C ATOM 380 CD LYS A 557 1.051 -2.741 -2.150 1.00 0.00 C ATOM 381 CE LYS A 557 1.478 -4.183 -1.917 1.00 0.00 C ATOM 382 NZ LYS A 557 1.720 -4.903 -3.198 1.00 0.00 N ATOM 0 H LYS A 557 4.701 -0.000 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 557 3.201 -1.036 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.304 -2.110 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.628 -0.724 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.981 -2.534 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.441 -1.114 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 557 0.017 -2.717 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.660 -2.303 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 557 2.386 -4.200 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.707 -4.703 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 2.009 -5.882 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.847 -4.909 -3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.473 -4.422 -3.730 1.00 0.00 H new ATOM 396 N PHE A 558 1.594 1.553 -1.535 1.00 0.00 N ATOM 397 CA PHE A 558 0.508 2.495 -1.782 1.00 0.00 C ATOM 398 C PHE A 558 0.899 3.504 -2.858 1.00 0.00 C ATOM 399 O PHE A 558 0.051 3.984 -3.610 1.00 0.00 O ATOM 400 CB PHE A 558 0.135 3.227 -0.492 1.00 0.00 C ATOM 401 CG PHE A 558 -0.667 2.389 0.462 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.207 1.147 0.869 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.881 2.843 0.952 1.00 0.00 C ATOM 404 CE1 PHE A 558 -0.944 0.373 1.746 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.622 2.075 1.830 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.152 0.838 2.228 1.00 0.00 C ATOM 0 H PHE A 558 2.175 1.782 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.356 1.931 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.047 3.558 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.434 4.122 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.738 0.779 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.253 3.809 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.576 -0.594 2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.567 2.441 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.728 0.236 2.915 1.00 0.00 H new ATOM 416 N ASN A 559 2.188 3.820 -2.925 1.00 0.00 N ATOM 417 CA ASN A 559 2.691 4.773 -3.907 1.00 0.00 C ATOM 418 C ASN A 559 2.121 4.480 -5.292 1.00 0.00 C ATOM 419 O ASN A 559 2.049 5.364 -6.144 1.00 0.00 O ATOM 420 CB ASN A 559 4.220 4.730 -3.954 1.00 0.00 C ATOM 421 CG ASN A 559 4.815 5.977 -4.580 1.00 0.00 C ATOM 422 OD1 ASN A 559 4.091 6.875 -5.009 1.00 0.00 O ATOM 423 ND2 ASN A 559 6.140 6.036 -4.635 1.00 0.00 N ATOM 0 H ASN A 559 2.903 3.430 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 559 2.371 5.770 -3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.609 4.614 -2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.539 3.855 -4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 559 6.598 6.850 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 559 6.700 5.267 -4.267 1.00 0.00 H new ATOM 430 N GLU A 560 1.716 3.232 -5.507 1.00 0.00 N ATOM 431 CA GLU A 560 1.153 2.822 -6.787 1.00 0.00 C ATOM 432 C GLU A 560 -0.116 3.610 -7.100 1.00 0.00 C ATOM 433 O GLU A 560 -0.288 4.116 -8.210 1.00 0.00 O ATOM 434 CB GLU A 560 0.846 1.323 -6.779 1.00 0.00 C ATOM 435 CG GLU A 560 2.078 0.449 -6.946 1.00 0.00 C ATOM 436 CD GLU A 560 1.757 -0.899 -7.563 1.00 0.00 C ATOM 437 OE1 GLU A 560 0.817 -0.967 -8.382 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.445 -1.885 -7.226 1.00 0.00 O ATOM 0 H GLU A 560 1.768 2.488 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 560 1.891 3.030 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.353 1.067 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.142 1.101 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 560 2.805 0.967 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.546 0.297 -5.973 1.00 0.00 H new ATOM 445 N CYS A 561 -1.002 3.710 -6.115 1.00 0.00 N ATOM 446 CA CYS A 561 -2.256 4.435 -6.285 1.00 0.00 C ATOM 447 C CYS A 561 -1.997 5.880 -6.697 1.00 0.00 C ATOM 448 O CYS A 561 -2.524 6.353 -7.703 1.00 0.00 O ATOM 449 CB CYS A 561 -3.069 4.399 -4.990 1.00 0.00 C ATOM 450 SG CYS A 561 -4.556 5.426 -5.023 1.00 0.00 S ATOM 0 H CYS A 561 -0.875 3.298 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.825 3.947 -7.077 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -3.357 3.368 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -2.434 4.724 -4.166 1.00 0.00 H new ATOM 0 HG CYS A 561 -5.576 4.725 -4.626 1.00 0.00 H new ATOM 456 N GLY A 562 -1.183 6.578 -5.911 1.00 0.00 N ATOM 457 CA GLY A 562 -0.870 7.963 -6.210 1.00 0.00 C ATOM 458 C GLY A 562 0.442 8.407 -5.593 1.00 0.00 C ATOM 459 O GLY A 562 1.445 7.696 -5.671 1.00 0.00 O ATOM 0 H GLY A 562 -0.735 6.209 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.823 8.097 -7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.674 8.601 -5.844 1.00 0.00 H new ATOM 463 N HIS A 563 0.437 9.586 -4.980 1.00 0.00 N ATOM 464 CA HIS A 563 1.636 10.125 -4.349 1.00 0.00 C ATOM 465 C HIS A 563 1.499 10.120 -2.829 1.00 0.00 C ATOM 466 O HIS A 563 0.751 10.914 -2.260 1.00 0.00 O ATOM 467 CB HIS A 563 1.904 11.547 -4.843 1.00 0.00 C ATOM 468 CG HIS A 563 3.184 12.129 -4.328 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.704 12.158 -3.079 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.093 12.780 -5.135 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 4.907 12.817 -3.154 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.118 13.182 -4.405 1.00 0.00 N flip ATOM 0 H HIS A 563 -0.384 10.187 -4.907 1.00 0.00 H new ATOM 0 HA HIS A 563 2.477 9.489 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 563 1.928 11.546 -5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.076 12.189 -4.543 1.00 0.00 H new ATOM 0 HD2 HIS A 563 3.984 12.937 -6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.572 13.006 -2.324 1.00 0.00 H new ATOM 0 HE2 HIS A 563 5.934 13.688 -4.749 1.00 0.00 H new ATOM 481 N VAL A 564 2.227 9.218 -2.177 1.00 0.00 N ATOM 482 CA VAL A 564 2.187 9.109 -0.724 1.00 0.00 C ATOM 483 C VAL A 564 3.054 10.178 -0.069 1.00 0.00 C ATOM 484 O VAL A 564 4.206 10.380 -0.455 1.00 0.00 O ATOM 485 CB VAL A 564 2.658 7.721 -0.252 1.00 0.00 C ATOM 486 CG1 VAL A 564 2.742 7.673 1.266 1.00 0.00 C ATOM 487 CG2 VAL A 564 1.729 6.636 -0.777 1.00 0.00 C ATOM 0 H VAL A 564 2.851 8.552 -2.633 1.00 0.00 H new ATOM 0 HA VAL A 564 1.149 9.253 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 564 3.655 7.539 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.076 6.684 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.451 8.424 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 564 1.759 7.876 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.077 5.662 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 564 0.719 6.812 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.725 6.657 -1.867 1.00 0.00 H new ATOM 497 N LEU A 565 2.494 10.859 0.924 1.00 0.00 N ATOM 498 CA LEU A 565 3.217 11.908 1.635 1.00 0.00 C ATOM 499 C LEU A 565 3.725 11.403 2.982 1.00 0.00 C ATOM 500 O LEU A 565 4.837 11.727 3.398 1.00 0.00 O ATOM 501 CB LEU A 565 2.315 13.126 1.842 1.00 0.00 C ATOM 502 CG LEU A 565 1.709 13.735 0.577 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.587 14.699 0.932 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.781 14.440 -0.242 1.00 0.00 C ATOM 0 H LEU A 565 1.542 10.704 1.255 1.00 0.00 H new ATOM 0 HA LEU A 565 4.076 12.198 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.502 12.842 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.892 13.898 2.352 1.00 0.00 H new ATOM 0 HG LEU A 565 1.290 12.929 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.168 15.122 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.193 14.165 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 565 0.980 15.501 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.332 14.867 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.230 15.235 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.550 13.723 -0.528 1.00 0.00 H new ATOM 516 N TYR A 566 2.904 10.607 3.657 1.00 0.00 N ATOM 517 CA TYR A 566 3.269 10.057 4.957 1.00 0.00 C ATOM 518 C TYR A 566 2.902 8.579 5.046 1.00 0.00 C ATOM 519 O TYR A 566 1.859 8.156 4.547 1.00 0.00 O ATOM 520 CB TYR A 566 2.576 10.835 6.077 1.00 0.00 C ATOM 521 CG TYR A 566 2.859 10.290 7.458 1.00 0.00 C ATOM 522 CD1 TYR A 566 4.163 10.146 7.916 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.823 9.919 8.306 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.427 9.648 9.177 1.00 0.00 C ATOM 525 CE2 TYR A 566 2.077 9.421 9.569 1.00 0.00 C ATOM 526 CZ TYR A 566 3.380 9.287 10.000 1.00 0.00 C ATOM 527 OH TYR A 566 3.639 8.791 11.258 1.00 0.00 O ATOM 0 H TYR A 566 1.981 10.328 3.325 1.00 0.00 H new ATOM 0 HA TYR A 566 4.349 10.152 5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.894 11.877 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.500 10.823 5.904 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.985 10.428 7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.801 10.022 7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.447 9.542 9.517 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.259 9.138 10.216 1.00 0.00 H new ATOM 0 HH TYR A 566 4.606 8.791 11.417 1.00 0.00 H new ATOM 537 N ALA A 567 3.766 7.798 5.686 1.00 0.00 N ATOM 538 CA ALA A 567 3.533 6.368 5.844 1.00 0.00 C ATOM 539 C ALA A 567 4.217 5.836 7.098 1.00 0.00 C ATOM 540 O ALA A 567 5.443 5.749 7.159 1.00 0.00 O ATOM 541 CB ALA A 567 4.020 5.615 4.614 1.00 0.00 C ATOM 0 H ALA A 567 4.634 8.132 6.104 1.00 0.00 H new ATOM 0 HA ALA A 567 2.460 6.209 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.840 4.548 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.482 5.968 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.088 5.789 4.480 1.00 0.00 H new ATOM 547 N ASP A 568 3.416 5.481 8.097 1.00 0.00 N ATOM 548 CA ASP A 568 3.945 4.956 9.351 1.00 0.00 C ATOM 549 C ASP A 568 3.144 3.742 9.812 1.00 0.00 C ATOM 550 O ASP A 568 1.944 3.644 9.556 1.00 0.00 O ATOM 551 CB ASP A 568 3.922 6.039 10.432 1.00 0.00 C ATOM 552 CG ASP A 568 5.202 6.850 10.466 1.00 0.00 C ATOM 553 OD1 ASP A 568 5.825 7.019 9.398 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.581 7.315 11.561 1.00 0.00 O ATOM 0 H ASP A 568 2.399 5.547 8.063 1.00 0.00 H new ATOM 0 HA ASP A 568 4.976 4.645 9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 568 3.078 6.706 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.764 5.574 11.405 1.00 0.00 H new ATOM 559 N ILE A 569 3.817 2.820 10.493 1.00 0.00 N ATOM 560 CA ILE A 569 3.168 1.613 10.989 1.00 0.00 C ATOM 561 C ILE A 569 2.876 1.721 12.482 1.00 0.00 C ATOM 562 O ILE A 569 3.779 1.619 13.312 1.00 0.00 O ATOM 563 CB ILE A 569 4.033 0.364 10.736 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.353 0.233 9.245 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.323 -0.883 11.242 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.156 -0.143 8.401 1.00 0.00 C ATOM 0 H ILE A 569 4.811 2.886 10.714 1.00 0.00 H new ATOM 0 HA ILE A 569 2.230 1.512 10.443 1.00 0.00 H new ATOM 0 HB ILE A 569 4.970 0.472 11.282 1.00 0.00 H new ATOM 0 HG12 ILE A 569 4.759 1.178 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.131 -0.519 9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 569 3.947 -1.757 11.056 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.140 -0.789 12.312 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.373 -0.998 10.720 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.457 -0.218 7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 569 2.762 -1.103 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.385 0.621 8.503 1.00 0.00 H new ATOM 578 N LYS A 570 1.606 1.925 12.818 1.00 0.00 N ATOM 579 CA LYS A 570 1.192 2.043 14.210 1.00 0.00 C ATOM 580 C LYS A 570 1.606 0.811 15.008 1.00 0.00 C ATOM 581 O LYS A 570 1.032 -0.266 14.846 1.00 0.00 O ATOM 582 CB LYS A 570 -0.324 2.235 14.299 1.00 0.00 C ATOM 583 CG LYS A 570 -0.846 3.364 13.426 1.00 0.00 C ATOM 584 CD LYS A 570 -0.342 4.716 13.904 1.00 0.00 C ATOM 585 CE LYS A 570 -1.289 5.337 14.919 1.00 0.00 C ATOM 586 NZ LYS A 570 -1.023 4.845 16.299 1.00 0.00 N ATOM 0 H LYS A 570 0.846 2.012 12.144 1.00 0.00 H new ATOM 0 HA LYS A 570 1.688 2.914 14.637 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.817 1.306 14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.597 2.433 15.336 1.00 0.00 H new ATOM 0 HG2 LYS A 570 -0.534 3.202 12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.936 3.357 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 570 0.646 4.600 14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 570 -0.230 5.386 13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -1.187 6.422 14.894 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -2.318 5.107 14.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 -1.291 5.578 16.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 -1.581 3.985 16.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 -0.011 4.628 16.401 1.00 0.00 H new ATOM 686 N LYS A 577 1.115 -4.024 15.326 1.00 0.00 N ATOM 687 CA LYS A 577 -0.257 -4.486 15.502 1.00 0.00 C ATOM 688 C LYS A 577 -0.953 -4.650 14.155 1.00 0.00 C ATOM 689 O LYS A 577 -2.180 -4.702 14.082 1.00 0.00 O ATOM 690 CB LYS A 577 -1.039 -3.505 16.377 1.00 0.00 C ATOM 691 CG LYS A 577 -0.405 -3.261 17.735 1.00 0.00 C ATOM 692 CD LYS A 577 -0.629 -4.434 18.674 1.00 0.00 C ATOM 693 CE LYS A 577 -2.010 -4.382 19.312 1.00 0.00 C ATOM 694 NZ LYS A 577 -2.102 -5.264 20.508 1.00 0.00 N ATOM 0 HA LYS A 577 -0.226 -5.458 15.995 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -1.128 -2.554 15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -2.050 -3.886 16.521 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.665 -3.091 17.613 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.823 -2.356 18.176 1.00 0.00 H new ATOM 0 HD2 LYS A 577 -0.516 -5.368 18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 577 0.133 -4.429 19.453 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -2.239 -3.356 19.599 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -2.760 -4.683 18.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -3.058 -5.200 20.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.909 -6.247 20.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -1.404 -4.961 21.217 1.00 0.00 H new ATOM 708 N GLY A 578 -0.160 -4.731 13.090 1.00 0.00 N ATOM 709 CA GLY A 578 -0.719 -4.890 11.760 1.00 0.00 C ATOM 710 C GLY A 578 -1.647 -3.753 11.382 1.00 0.00 C ATOM 711 O GLY A 578 -2.803 -3.980 11.021 1.00 0.00 O ATOM 0 H GLY A 578 0.859 -4.689 13.125 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.091 -4.950 11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -1.264 -5.832 11.709 1.00 0.00 H new ATOM 715 N CYS A 579 -1.144 -2.527 11.467 1.00 0.00 N ATOM 716 CA CYS A 579 -1.937 -1.349 11.133 1.00 0.00 C ATOM 717 C CYS A 579 -1.040 -0.139 10.895 1.00 0.00 C ATOM 718 O CYS A 579 0.032 -0.022 11.487 1.00 0.00 O ATOM 719 CB CYS A 579 -2.936 -1.048 12.252 1.00 0.00 C ATOM 720 SG CYS A 579 -2.196 -0.969 13.900 1.00 0.00 S ATOM 0 H CYS A 579 -0.190 -2.322 11.765 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.484 -1.558 10.214 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.427 -0.098 12.040 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.710 -1.815 12.249 1.00 0.00 H new ATOM 0 HG CYS A 579 -3.119 -0.708 14.778 1.00 0.00 H new ATOM 726 N GLY A 580 -1.487 0.760 10.023 1.00 0.00 N ATOM 727 CA GLY A 580 -0.712 1.949 9.721 1.00 0.00 C ATOM 728 C GLY A 580 -1.554 3.050 9.106 1.00 0.00 C ATOM 729 O GLY A 580 -2.755 2.878 8.896 1.00 0.00 O ATOM 0 H GLY A 580 -2.372 0.686 9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.248 2.319 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.096 1.688 9.037 1.00 0.00 H new ATOM 733 N VAL A 581 -0.924 4.184 8.819 1.00 0.00 N ATOM 734 CA VAL A 581 -1.624 5.318 8.225 1.00 0.00 C ATOM 735 C VAL A 581 -0.920 5.797 6.961 1.00 0.00 C ATOM 736 O VAL A 581 0.304 5.721 6.852 1.00 0.00 O ATOM 737 CB VAL A 581 -1.731 6.492 9.216 1.00 0.00 C ATOM 738 CG1 VAL A 581 -2.869 6.260 10.198 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.414 6.692 9.950 1.00 0.00 C ATOM 0 H VAL A 581 0.069 4.343 8.988 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.627 4.974 7.971 1.00 0.00 H new ATOM 0 HB VAL A 581 -1.948 7.400 8.654 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -2.929 7.100 10.890 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -3.808 6.172 9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -2.686 5.342 10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -0.508 7.526 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.163 5.786 10.501 1.00 0.00 H new ATOM 0 HG23 VAL A 581 0.375 6.908 9.230 1.00 0.00 H new ATOM 749 N VAL A 582 -1.701 6.291 6.006 1.00 0.00 N ATOM 750 CA VAL A 582 -1.153 6.785 4.749 1.00 0.00 C ATOM 751 C VAL A 582 -1.848 8.070 4.313 1.00 0.00 C ATOM 752 O VAL A 582 -3.072 8.184 4.389 1.00 0.00 O ATOM 753 CB VAL A 582 -1.286 5.737 3.628 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.743 6.284 2.317 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.573 4.450 4.015 1.00 0.00 C ATOM 0 H VAL A 582 -2.716 6.360 6.079 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.096 6.988 4.923 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.343 5.512 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.846 5.529 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.303 7.176 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.310 6.540 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.677 3.721 3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.484 4.656 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -1.014 4.050 4.928 1.00 0.00 H new ATOM 765 N LYS A 583 -1.060 9.037 3.855 1.00 0.00 N ATOM 766 CA LYS A 583 -1.598 10.315 3.404 1.00 0.00 C ATOM 767 C LYS A 583 -1.302 10.538 1.924 1.00 0.00 C ATOM 768 O LYS A 583 -0.296 10.056 1.403 1.00 0.00 O ATOM 769 CB LYS A 583 -1.010 11.460 4.232 1.00 0.00 C ATOM 770 CG LYS A 583 -1.839 11.816 5.453 1.00 0.00 C ATOM 771 CD LYS A 583 -1.011 12.551 6.494 1.00 0.00 C ATOM 772 CE LYS A 583 -1.644 12.461 7.875 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.116 13.505 8.796 1.00 0.00 N ATOM 0 H LYS A 583 -0.045 8.960 3.786 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.679 10.295 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.005 11.186 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.913 12.342 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -2.683 12.438 5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.252 10.907 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -0.006 12.130 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.909 13.598 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -2.725 12.568 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -1.455 11.474 8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -1.572 13.410 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.088 13.388 8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.319 14.447 8.406 1.00 0.00 H new ATOM 787 N PHE A 584 -2.183 11.273 1.254 1.00 0.00 N ATOM 788 CA PHE A 584 -2.015 11.561 -0.166 1.00 0.00 C ATOM 789 C PHE A 584 -2.055 13.065 -0.424 1.00 0.00 C ATOM 790 O PHE A 584 -2.325 13.853 0.481 1.00 0.00 O ATOM 791 CB PHE A 584 -3.105 10.863 -0.982 1.00 0.00 C ATOM 792 CG PHE A 584 -3.030 9.364 -0.923 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.661 8.665 0.094 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.330 8.654 -1.885 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.593 7.286 0.150 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.259 7.275 -1.833 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.892 6.590 -0.815 1.00 0.00 C ATOM 0 H PHE A 584 -3.020 11.680 1.671 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.041 11.183 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.081 11.185 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.030 11.182 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.212 9.204 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.834 9.184 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.088 6.753 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.709 6.733 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.839 5.512 -0.773 1.00 0.00 H new ATOM 807 N GLU A 585 -1.784 13.453 -1.666 1.00 0.00 N ATOM 808 CA GLU A 585 -1.787 14.862 -2.043 1.00 0.00 C ATOM 809 C GLU A 585 -3.214 15.389 -2.165 1.00 0.00 C ATOM 810 O GLU A 585 -3.538 16.461 -1.653 1.00 0.00 O ATOM 811 CB GLU A 585 -1.044 15.061 -3.365 1.00 0.00 C ATOM 812 CG GLU A 585 0.469 15.040 -3.222 1.00 0.00 C ATOM 813 CD GLU A 585 1.182 15.024 -4.560 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.767 14.247 -5.445 1.00 0.00 O ATOM 815 OE2 GLU A 585 2.155 15.790 -4.723 1.00 0.00 O ATOM 0 H GLU A 585 -1.560 12.813 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.276 15.422 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.345 14.280 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.346 16.013 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.789 15.914 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.764 14.162 -2.647 1.00 0.00 H new ATOM 822 N SER A 586 -4.063 14.628 -2.848 1.00 0.00 N ATOM 823 CA SER A 586 -5.455 15.019 -3.042 1.00 0.00 C ATOM 824 C SER A 586 -6.390 14.114 -2.245 1.00 0.00 C ATOM 825 O SER A 586 -6.056 12.979 -1.906 1.00 0.00 O ATOM 826 CB SER A 586 -5.819 14.966 -4.527 1.00 0.00 C ATOM 827 OG SER A 586 -5.408 16.147 -5.195 1.00 0.00 O ATOM 0 H SER A 586 -3.812 13.737 -3.276 1.00 0.00 H new ATOM 0 HA SER A 586 -5.573 16.041 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.347 14.099 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.896 14.838 -4.636 1.00 0.00 H new ATOM 0 HG SER A 586 -5.650 16.088 -6.143 1.00 0.00 H new ATOM 833 N PRO A 587 -7.590 14.629 -1.938 1.00 0.00 N ATOM 834 CA PRO A 587 -8.599 13.885 -1.178 1.00 0.00 C ATOM 835 C PRO A 587 -9.190 12.728 -1.977 1.00 0.00 C ATOM 836 O PRO A 587 -9.497 11.673 -1.422 1.00 0.00 O ATOM 837 CB PRO A 587 -9.672 14.938 -0.889 1.00 0.00 C ATOM 838 CG PRO A 587 -9.521 15.942 -1.978 1.00 0.00 C ATOM 839 CD PRO A 587 -8.054 15.976 -2.310 1.00 0.00 C ATOM 0 HA PRO A 587 -8.179 13.427 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.669 14.498 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.527 15.392 0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.112 15.663 -2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -9.871 16.923 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -7.886 16.182 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.532 16.750 -1.748 1.00 0.00 H new ATOM 847 N GLU A 588 -9.345 12.933 -3.281 1.00 0.00 N ATOM 848 CA GLU A 588 -9.899 11.906 -4.155 1.00 0.00 C ATOM 849 C GLU A 588 -8.990 10.681 -4.200 1.00 0.00 C ATOM 850 O GLU A 588 -9.460 9.548 -4.302 1.00 0.00 O ATOM 851 CB GLU A 588 -10.099 12.459 -5.567 1.00 0.00 C ATOM 852 CG GLU A 588 -10.711 11.458 -6.532 1.00 0.00 C ATOM 853 CD GLU A 588 -11.340 12.123 -7.742 1.00 0.00 C ATOM 854 OE1 GLU A 588 -10.698 13.020 -8.326 1.00 0.00 O ATOM 855 OE2 GLU A 588 -12.474 11.745 -8.103 1.00 0.00 O ATOM 0 H GLU A 588 -9.095 13.801 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.866 11.605 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.739 13.340 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -9.136 12.787 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -9.941 10.762 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -11.467 10.872 -6.010 1.00 0.00 H new ATOM 862 N VAL A 589 -7.684 10.918 -4.125 1.00 0.00 N ATOM 863 CA VAL A 589 -6.708 9.836 -4.157 1.00 0.00 C ATOM 864 C VAL A 589 -6.675 9.085 -2.831 1.00 0.00 C ATOM 865 O VAL A 589 -6.407 7.885 -2.792 1.00 0.00 O ATOM 866 CB VAL A 589 -5.295 10.364 -4.470 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.297 9.218 -4.528 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.296 11.147 -5.774 1.00 0.00 C ATOM 0 H VAL A 589 -7.278 11.850 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 589 -7.018 9.155 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.992 11.037 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.305 9.611 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.277 8.704 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.593 8.517 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.290 11.513 -5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.620 10.498 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.979 11.992 -5.690 1.00 0.00 H new ATOM 878 N ALA A 590 -6.952 9.801 -1.745 1.00 0.00 N ATOM 879 CA ALA A 590 -6.957 9.202 -0.416 1.00 0.00 C ATOM 880 C ALA A 590 -8.019 8.113 -0.309 1.00 0.00 C ATOM 881 O ALA A 590 -7.735 6.997 0.125 1.00 0.00 O ATOM 882 CB ALA A 590 -7.185 10.270 0.643 1.00 0.00 C ATOM 0 H ALA A 590 -7.176 10.796 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.983 8.741 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.186 9.809 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.388 11.011 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.145 10.756 0.468 1.00 0.00 H new ATOM 888 N GLU A 591 -9.243 8.445 -0.708 1.00 0.00 N ATOM 889 CA GLU A 591 -10.347 7.494 -0.654 1.00 0.00 C ATOM 890 C GLU A 591 -10.213 6.442 -1.751 1.00 0.00 C ATOM 891 O GLU A 591 -10.697 5.319 -1.611 1.00 0.00 O ATOM 892 CB GLU A 591 -11.685 8.224 -0.794 1.00 0.00 C ATOM 893 CG GLU A 591 -12.109 8.446 -2.236 1.00 0.00 C ATOM 894 CD GLU A 591 -13.028 9.642 -2.397 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.517 10.781 -2.423 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.256 9.439 -2.496 1.00 0.00 O ATOM 0 H GLU A 591 -9.495 9.364 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.314 6.992 0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.457 7.651 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.617 9.189 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.222 8.588 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.614 7.553 -2.604 1.00 0.00 H new ATOM 903 N ARG A 592 -9.552 6.814 -2.842 1.00 0.00 N ATOM 904 CA ARG A 592 -9.355 5.904 -3.964 1.00 0.00 C ATOM 905 C ARG A 592 -8.569 4.670 -3.531 1.00 0.00 C ATOM 906 O ARG A 592 -8.935 3.542 -3.859 1.00 0.00 O ATOM 907 CB ARG A 592 -8.621 6.615 -5.103 1.00 0.00 C ATOM 908 CG ARG A 592 -8.397 5.738 -6.324 1.00 0.00 C ATOM 909 CD ARG A 592 -7.329 6.319 -7.238 1.00 0.00 C ATOM 910 NE ARG A 592 -7.781 7.540 -7.901 1.00 0.00 N ATOM 911 CZ ARG A 592 -6.966 8.375 -8.535 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.666 8.123 -8.593 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.453 9.466 -9.114 1.00 0.00 N ATOM 0 H ARG A 592 -9.144 7.739 -2.973 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.336 5.585 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.192 7.495 -5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.657 6.968 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -8.101 4.738 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -9.332 5.634 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.432 6.533 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -7.053 5.579 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.776 7.763 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.289 7.285 -8.150 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.043 8.767 -9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.453 9.663 -9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -6.827 10.108 -9.601 1.00 0.00 H new ATOM 927 N ALA A 593 -7.487 4.893 -2.792 1.00 0.00 N ATOM 928 CA ALA A 593 -6.650 3.800 -2.313 1.00 0.00 C ATOM 929 C ALA A 593 -7.447 2.845 -1.430 1.00 0.00 C ATOM 930 O ALA A 593 -7.146 1.653 -1.359 1.00 0.00 O ATOM 931 CB ALA A 593 -5.451 4.347 -1.553 1.00 0.00 C ATOM 0 H ALA A 593 -7.170 5.821 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.294 3.242 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.835 3.520 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.861 4.983 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.796 4.931 -0.700 1.00 0.00 H new ATOM 937 N CYS A 594 -8.464 3.375 -0.760 1.00 0.00 N ATOM 938 CA CYS A 594 -9.303 2.570 0.119 1.00 0.00 C ATOM 939 C CYS A 594 -10.101 1.544 -0.680 1.00 0.00 C ATOM 940 O CYS A 594 -10.543 0.530 -0.140 1.00 0.00 O ATOM 941 CB CYS A 594 -10.254 3.467 0.913 1.00 0.00 C ATOM 942 SG CYS A 594 -9.420 4.681 1.962 1.00 0.00 S ATOM 0 H CYS A 594 -8.727 4.359 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.653 2.037 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.907 3.992 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.891 2.840 1.537 1.00 0.00 H new ATOM 0 HG CYS A 594 -8.808 5.552 1.216 1.00 0.00 H new ATOM 948 N ARG A 595 -10.281 1.816 -1.968 1.00 0.00 N ATOM 949 CA ARG A 595 -11.028 0.918 -2.841 1.00 0.00 C ATOM 950 C ARG A 595 -10.095 -0.081 -3.519 1.00 0.00 C ATOM 951 O ARG A 595 -10.427 -1.258 -3.660 1.00 0.00 O ATOM 952 CB ARG A 595 -11.791 1.718 -3.898 1.00 0.00 C ATOM 953 CG ARG A 595 -12.835 2.656 -3.316 1.00 0.00 C ATOM 954 CD ARG A 595 -13.125 3.818 -4.253 1.00 0.00 C ATOM 955 NE ARG A 595 -13.939 3.410 -5.395 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.191 4.196 -6.436 1.00 0.00 C ATOM 957 NH1 ARG A 595 -13.695 5.425 -6.478 1.00 0.00 N ATOM 958 NH2 ARG A 595 -14.941 3.752 -7.437 1.00 0.00 N ATOM 0 H ARG A 595 -9.920 2.651 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.741 0.366 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.080 2.299 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.279 1.025 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -13.755 2.104 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -12.487 3.039 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -13.640 4.607 -3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -12.185 4.239 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 595 -14.336 2.470 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -13.119 5.769 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -13.890 6.027 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -15.324 2.807 -7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -15.134 4.356 -8.236 1.00 0.00 H new ATOM 972 N MET A 596 -8.928 0.397 -3.938 1.00 0.00 N ATOM 973 CA MET A 596 -7.947 -0.455 -4.600 1.00 0.00 C ATOM 974 C MET A 596 -7.194 -1.309 -3.585 1.00 0.00 C ATOM 975 O MET A 596 -7.131 -2.531 -3.713 1.00 0.00 O ATOM 976 CB MET A 596 -6.960 0.395 -5.402 1.00 0.00 C ATOM 977 CG MET A 596 -7.626 1.286 -6.438 1.00 0.00 C ATOM 978 SD MET A 596 -6.566 1.609 -7.860 1.00 0.00 S ATOM 979 CE MET A 596 -5.216 2.492 -7.083 1.00 0.00 C ATOM 0 H MET A 596 -8.639 1.369 -3.831 1.00 0.00 H new ATOM 0 HA MET A 596 -8.480 -1.119 -5.281 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.387 1.017 -4.714 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.250 -0.263 -5.903 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.549 0.815 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 596 -7.903 2.232 -5.974 1.00 0.00 H new ATOM 0 HE1 MET A 596 -5.028 3.419 -7.625 1.00 0.00 H new ATOM 0 HE2 MET A 596 -5.478 2.722 -6.050 1.00 0.00 H new ATOM 0 HE3 MET A 596 -4.319 1.873 -7.101 1.00 0.00 H new ATOM 989 N MET A 597 -6.623 -0.656 -2.577 1.00 0.00 N ATOM 990 CA MET A 597 -5.875 -1.357 -1.540 1.00 0.00 C ATOM 991 C MET A 597 -6.772 -2.337 -0.791 1.00 0.00 C ATOM 992 O MET A 597 -6.542 -3.545 -0.815 1.00 0.00 O ATOM 993 CB MET A 597 -5.263 -0.355 -0.558 1.00 0.00 C ATOM 994 CG MET A 597 -4.364 0.675 -1.222 1.00 0.00 C ATOM 995 SD MET A 597 -3.286 -0.049 -2.474 1.00 0.00 S ATOM 996 CE MET A 597 -1.996 -0.749 -1.446 1.00 0.00 C ATOM 0 H MET A 597 -6.664 0.356 -2.457 1.00 0.00 H new ATOM 0 HA MET A 597 -5.075 -1.919 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.065 0.161 -0.031 1.00 0.00 H new ATOM 0 HB3 MET A 597 -4.687 -0.898 0.191 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.981 1.448 -1.682 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.755 1.164 -0.462 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.108 -0.119 -1.497 1.00 0.00 H new ATOM 0 HE2 MET A 597 -2.343 -0.805 -0.414 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.751 -1.750 -1.801 1.00 0.00 H new ATOM 1006 N ASN A 598 -7.794 -1.808 -0.126 1.00 0.00 N ATOM 1007 CA ASN A 598 -8.725 -2.638 0.631 1.00 0.00 C ATOM 1008 C ASN A 598 -9.083 -3.901 -0.146 1.00 0.00 C ATOM 1009 O ASN A 598 -9.413 -3.842 -1.330 1.00 0.00 O ATOM 1010 CB ASN A 598 -9.995 -1.849 0.957 1.00 0.00 C ATOM 1011 CG ASN A 598 -10.899 -2.584 1.926 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -10.643 -3.735 2.281 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.965 -1.922 2.360 1.00 0.00 N ATOM 0 H ASN A 598 -7.999 -0.809 -0.096 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.238 -2.931 1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.721 -0.883 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.541 -1.648 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.610 -2.366 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -12.139 -0.969 2.040 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.016 -5.044 0.530 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.336 -6.306 -0.112 1.00 0.00 C ATOM 1022 C GLY A 599 -8.119 -6.972 -0.721 1.00 0.00 C ATOM 1023 O GLY A 599 -8.242 -7.943 -1.467 1.00 0.00 O ATOM 0 H GLY A 599 -8.746 -5.119 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -9.786 -6.978 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.080 -6.136 -0.890 1.00 0.00 H new ATOM 1027 N MET A 600 -6.939 -6.449 -0.403 1.00 0.00 N ATOM 1028 CA MET A 600 -5.694 -6.999 -0.925 1.00 0.00 C ATOM 1029 C MET A 600 -5.029 -7.910 0.102 1.00 0.00 C ATOM 1030 O MET A 600 -4.547 -7.449 1.137 1.00 0.00 O ATOM 1031 CB MET A 600 -4.737 -5.872 -1.318 1.00 0.00 C ATOM 1032 CG MET A 600 -4.107 -5.167 -0.128 1.00 0.00 C ATOM 1033 SD MET A 600 -3.369 -3.582 -0.570 1.00 0.00 S ATOM 1034 CE MET A 600 -2.247 -3.337 0.804 1.00 0.00 C ATOM 0 H MET A 600 -6.819 -5.645 0.214 1.00 0.00 H new ATOM 0 HA MET A 600 -5.931 -7.590 -1.810 1.00 0.00 H new ATOM 0 HB2 MET A 600 -3.947 -6.281 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.277 -5.141 -1.919 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.865 -5.009 0.639 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.343 -5.810 0.308 1.00 0.00 H new ATOM 0 HE1 MET A 600 -2.656 -2.584 1.478 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.121 -4.276 1.343 1.00 0.00 H new ATOM 0 HE3 MET A 600 -1.280 -3.002 0.429 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.007 -9.206 -0.190 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.401 -10.183 0.708 1.00 0.00 C ATOM 1046 C LYS A 601 -2.879 -10.126 0.626 1.00 0.00 C ATOM 1047 O LYS A 601 -2.281 -10.595 -0.343 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.888 -11.593 0.365 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.367 -11.808 0.637 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.689 -13.280 0.834 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.006 -13.468 1.571 1.00 0.00 C ATOM 1052 NZ LYS A 601 -8.407 -14.901 1.633 1.00 0.00 N ATOM 0 H LYS A 601 -5.402 -9.605 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.702 -9.939 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.688 -11.791 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.312 -12.317 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.660 -11.248 1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -6.952 -11.415 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -6.739 -13.776 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -5.886 -13.758 1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -7.916 -13.072 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.787 -12.894 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -9.309 -14.987 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -8.518 -15.273 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -7.674 -15.445 2.131 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.258 -9.550 1.649 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.804 -9.433 1.693 1.00 0.00 C ATOM 1068 C LEU A 602 -0.170 -10.721 2.208 1.00 0.00 C ATOM 1069 O LEU A 602 -0.167 -10.987 3.410 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.394 -8.259 2.584 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.996 -6.900 2.222 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.222 -5.777 2.895 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -1.013 -6.709 0.712 1.00 0.00 C ATOM 0 H LEU A 602 -2.738 -9.157 2.459 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.448 -9.254 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.671 -8.495 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.692 -8.171 2.559 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.024 -6.872 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.665 -4.818 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.262 -5.905 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.817 -5.803 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.445 -5.737 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.006 -6.758 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.612 -7.495 0.253 1.00 0.00 H new ATOM 1085 N SER A 603 0.369 -11.517 1.290 1.00 0.00 N ATOM 1086 CA SER A 603 1.005 -12.779 1.650 1.00 0.00 C ATOM 1087 C SER A 603 0.001 -13.728 2.297 1.00 0.00 C ATOM 1088 O SER A 603 0.369 -14.589 3.096 1.00 0.00 O ATOM 1089 CB SER A 603 2.176 -12.530 2.603 1.00 0.00 C ATOM 1090 OG SER A 603 3.182 -13.515 2.442 1.00 0.00 O ATOM 0 H SER A 603 0.378 -11.310 0.291 1.00 0.00 H new ATOM 0 HA SER A 603 1.380 -13.242 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.597 -11.542 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.819 -12.535 3.633 1.00 0.00 H new ATOM 0 HG SER A 603 3.920 -13.333 3.061 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.271 -13.564 1.946 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.309 -14.413 2.501 1.00 0.00 C ATOM 1098 C GLY A 604 -2.974 -13.796 3.716 1.00 0.00 C ATOM 1099 O GLY A 604 -3.472 -14.508 4.588 1.00 0.00 O ATOM 0 H GLY A 604 -1.601 -12.859 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.062 -14.607 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.878 -15.376 2.776 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.981 -12.468 3.774 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.587 -11.756 4.893 1.00 0.00 C ATOM 1105 C ARG A 605 -4.494 -10.635 4.396 1.00 0.00 C ATOM 1106 O ARG A 605 -4.029 -9.670 3.790 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.502 -11.182 5.807 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.692 -12.244 6.532 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.186 -11.739 7.874 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.572 -12.803 8.664 1.00 0.00 N ATOM 1111 CZ ARG A 605 -1.265 -13.670 9.393 1.00 0.00 C ATOM 1112 NH1 ARG A 605 -2.589 -13.600 9.433 1.00 0.00 N ATOM 1113 NH2 ARG A 605 -0.635 -14.611 10.085 1.00 0.00 N ATOM 0 H ARG A 605 -2.574 -11.864 3.060 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.191 -12.465 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.828 -10.565 5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.968 -10.527 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.307 -13.131 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.847 -12.544 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.459 -10.943 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.014 -11.304 8.433 1.00 0.00 H new ATOM 0 HE ARG A 605 0.445 -12.885 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.078 -12.879 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.118 -14.268 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.383 -14.669 10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -1.169 -15.276 10.644 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.791 -10.770 4.658 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.763 -9.768 4.235 1.00 0.00 C ATOM 1129 C GLU A 606 -6.688 -8.529 5.123 1.00 0.00 C ATOM 1130 O GLU A 606 -6.486 -8.631 6.333 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.177 -10.350 4.273 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.095 -9.787 3.201 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.548 -9.758 3.634 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -11.080 -10.827 4.001 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.153 -8.666 3.606 1.00 0.00 O ATOM 0 H GLU A 606 -6.192 -11.562 5.160 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.525 -9.476 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.119 -11.432 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.614 -10.157 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.775 -8.776 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -9.001 -10.387 2.296 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.851 -7.360 4.512 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.802 -6.102 5.246 1.00 0.00 C ATOM 1144 C ILE A 607 -7.981 -5.206 4.880 1.00 0.00 C ATOM 1145 O ILE A 607 -8.558 -5.332 3.800 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.490 -5.342 4.974 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.228 -5.256 3.470 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.328 -6.022 5.683 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.942 -4.539 3.121 1.00 0.00 C ATOM 0 H ILE A 607 -7.018 -7.258 3.511 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.854 -6.352 6.306 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.585 -4.329 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.196 -6.264 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.062 -4.742 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.408 -5.474 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.515 -6.035 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.228 -7.045 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.821 -4.516 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.978 -3.519 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.099 -5.065 3.569 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.332 -4.300 5.786 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.440 -3.380 5.558 1.00 0.00 C ATOM 1163 C ASP A 608 -8.960 -1.933 5.592 1.00 0.00 C ATOM 1164 O ASP A 608 -8.448 -1.461 6.607 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.532 -3.593 6.608 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.860 -2.992 6.192 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -12.092 -1.801 6.491 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -12.667 -3.711 5.568 1.00 0.00 O ATOM 0 H ASP A 608 -7.865 -4.183 6.685 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.852 -3.584 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -10.659 -4.661 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -10.216 -3.150 7.552 1.00 0.00 H new ATOM 1173 N VAL A 609 -9.129 -1.232 4.475 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.713 0.162 4.376 1.00 0.00 C ATOM 1175 C VAL A 609 -9.920 1.091 4.301 1.00 0.00 C ATOM 1176 O VAL A 609 -10.853 0.851 3.535 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.821 0.395 3.143 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -7.155 1.761 3.216 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.781 -0.708 3.021 1.00 0.00 C ATOM 0 H VAL A 609 -9.551 -1.607 3.626 1.00 0.00 H new ATOM 0 HA VAL A 609 -8.141 0.387 5.276 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.449 0.370 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.529 1.908 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.920 2.537 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.539 1.818 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.160 -0.527 2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.155 -0.718 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.282 -1.671 2.918 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.893 2.152 5.100 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.985 3.118 5.125 1.00 0.00 C ATOM 1191 C ARG A 610 -10.465 4.519 5.429 1.00 0.00 C ATOM 1192 O ARG A 610 -9.399 4.681 6.024 1.00 0.00 O ATOM 1193 CB ARG A 610 -12.029 2.713 6.167 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.401 1.240 6.117 1.00 0.00 C ATOM 1195 CD ARG A 610 -13.179 0.905 4.854 1.00 0.00 C ATOM 1196 NE ARG A 610 -14.620 1.033 5.049 1.00 0.00 N ATOM 1197 CZ ARG A 610 -15.523 0.449 4.268 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -15.134 -0.300 3.246 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -16.817 0.614 4.510 1.00 0.00 N ATOM 0 H ARG A 610 -9.127 2.365 5.739 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.450 3.128 4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.649 2.949 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.928 3.311 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -11.496 0.633 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.998 0.984 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.862 1.566 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -12.944 -0.113 4.543 1.00 0.00 H new ATOM 0 HE ARG A 610 -14.952 1.602 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.140 -0.429 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.829 -0.747 2.648 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -17.120 1.189 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -17.509 0.165 3.910 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.223 5.529 5.015 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.838 6.916 5.243 1.00 0.00 C ATOM 1215 C ILE A 611 -10.903 7.268 6.725 1.00 0.00 C ATOM 1216 O ILE A 611 -11.968 7.215 7.340 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.739 7.887 4.457 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.573 7.666 2.952 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.414 9.327 4.825 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.251 8.163 2.410 1.00 0.00 C ATOM 0 H ILE A 611 -12.107 5.412 4.520 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.811 7.020 4.892 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.778 7.690 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.668 6.602 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.384 8.171 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.059 10.001 4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.578 9.476 5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.372 9.537 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.203 7.973 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.162 9.234 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.434 7.640 2.908 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.758 7.629 7.293 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.684 7.993 8.703 1.00 0.00 C ATOM 1234 C ASP A 612 -9.985 9.475 8.898 1.00 0.00 C ATOM 1235 O ASP A 612 -9.349 10.146 9.711 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.301 7.662 9.266 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.338 7.359 10.751 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.241 6.612 11.182 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -7.462 7.867 11.481 1.00 0.00 O ATOM 0 H ASP A 612 -8.867 7.677 6.798 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.434 7.414 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -7.891 6.804 8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.628 8.501 9.086 1.00 0.00 H new