USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 746 hydrogens (6 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 NoAdj-H: B 584 TPO H2 : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD NoAdj-H: B 584 TPO H : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD Set 1.1: A 470 THR OG1 : rot 121:sc= 0.649 USER MOD Set 1.2: A 471 LYS NZ :NH3+ -117:sc= -0.155 (180deg=-4.67!) USER MOD Set 2.1: A 462 TYR OH : rot -177:sc= 0.834! USER MOD Set 2.2: A 476 LYS NZ :NH3+ -147:sc= 1.41 (180deg=1.28) USER MOD Single : A 453 GLN : amide:sc= -0.0592 K(o=-0.059,f=-1.7!) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -75:sc= 0.0417 USER MOD Single : A 466 LYS NZ :NH3+ -134:sc= -0.925 (180deg=-1.75!) USER MOD Single : A 468 MET CE :methyl 135:sc= -7.82! (180deg=-9.84!) USER MOD Single : A 469 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 475 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0779) USER MOD Single : A 478 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 479 THR OG1 : rot -39:sc= 0.255 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 149:sc= 0.0914 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 489 THR OG1 : rot 100:sc= -0.783 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN :FLIP amide:sc= -2.68 F(o=-4.5!,f=-2.7) USER MOD Single : A 498 LYS NZ :NH3+ 166:sc= -3.93! (180deg=-4.42!) USER MOD Single : A 501 ASN : amide:sc= -1.33 K(o=-1.3,f=-2!) USER MOD Single : A 505 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0618) USER MOD Single : A 506 MET CE :methyl 174:sc= -2.1! (180deg=-2.44!) USER MOD Single : A 508 ASN : amide:sc= -6.5! C(o=-6.5!,f=-7.1!) USER MOD Single : A 510 LYS NZ :NH3+ 169:sc= -0.702 (180deg=-0.921) USER MOD Single : A 511 MET CE :methyl 136:sc= -4.99! (180deg=-8.42!) USER MOD Single : A 512 HIS : no HE2:sc= -10.2! C(o=-10!,f=-14!) USER MOD Single : A 514 SER OG : rot 109:sc= -2.44! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -4.13! C(o=-4.9!,f=-4.1!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 2.699 -8.670 21.011 1.00 0.00 N ATOM 2 CA GLU B 582 3.311 -7.359 21.349 1.00 0.00 C ATOM 3 C GLU B 582 2.261 -6.254 21.386 1.00 0.00 C ATOM 4 O GLU B 582 1.148 -6.425 20.889 1.00 0.00 O ATOM 5 CB GLU B 582 4.382 -7.036 20.306 1.00 0.00 C ATOM 6 CG GLU B 582 5.616 -6.366 20.887 1.00 0.00 C ATOM 7 CD GLU B 582 5.649 -4.874 20.621 1.00 0.00 C ATOM 8 OE1 GLU B 582 5.890 -4.483 19.459 1.00 0.00 O ATOM 9 OE2 GLU B 582 5.433 -4.096 21.575 1.00 0.00 O ATOM 0 HA GLU B 582 3.759 -7.419 22.341 1.00 0.00 H new ATOM 0 HB2 GLU B 582 4.681 -7.958 19.807 1.00 0.00 H new ATOM 0 HB3 GLU B 582 3.951 -6.386 19.544 1.00 0.00 H new ATOM 0 HG2 GLU B 582 5.647 -6.540 21.963 1.00 0.00 H new ATOM 0 HG3 GLU B 582 6.508 -6.827 20.463 1.00 0.00 H new ATOM 18 N ASP B 583 2.622 -5.119 21.977 1.00 0.00 N ATOM 19 CA ASP B 583 1.711 -3.985 22.078 1.00 0.00 C ATOM 20 C ASP B 583 1.304 -3.489 20.695 1.00 0.00 C ATOM 21 O ASP B 583 1.917 -2.574 20.147 1.00 0.00 O ATOM 22 CB ASP B 583 2.363 -2.850 22.868 1.00 0.00 C ATOM 23 CG ASP B 583 2.348 -3.103 24.364 1.00 0.00 C ATOM 24 OD1 ASP B 583 1.245 -3.116 24.952 1.00 0.00 O ATOM 25 OD2 ASP B 583 3.437 -3.288 24.946 1.00 0.00 O ATOM 0 H ASP B 583 3.540 -4.961 22.393 1.00 0.00 H new ATOM 0 HA ASP B 583 0.815 -4.316 22.603 1.00 0.00 H new ATOM 0 HB2 ASP B 583 3.393 -2.724 22.534 1.00 0.00 H new ATOM 0 HB3 ASP B 583 1.842 -1.917 22.655 1.00 0.00 H new HETATM 30 N TPO B 584 0.262 -4.099 20.136 1.00 0.00 N HETATM 31 CA TPO B 584 -0.232 -3.721 18.817 1.00 0.00 C HETATM 32 CB TPO B 584 -0.796 -2.297 18.853 1.00 0.00 C HETATM 33 CG2 TPO B 584 -1.092 -1.726 17.475 1.00 0.00 C HETATM 34 OG1 TPO B 584 -2.000 -2.291 19.624 1.00 0.00 O HETATM 35 P TPO B 584 -2.061 -0.884 20.407 1.00 0.00 P HETATM 36 O1P TPO B 584 -3.251 -0.860 21.287 1.00 0.00 O HETATM 37 O2P TPO B 584 -0.733 -0.709 21.299 1.00 0.00 O HETATM 38 O3P TPO B 584 -2.157 0.321 19.344 1.00 0.00 O HETATM 39 C TPO B 584 0.884 -3.806 17.778 1.00 0.00 C HETATM 40 O TPO B 584 1.391 -2.785 17.314 1.00 0.00 O HETATM 0 HG23 TPO B 584 -0.174 -1.698 16.888 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -1.826 -2.354 16.971 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -1.488 -0.716 17.577 1.00 0.00 H new HETATM 0 HB TPO B 584 -0.029 -1.666 19.301 1.00 0.00 H new HETATM 0 HA TPO B 584 -1.024 -4.415 18.537 1.00 0.00 H new ATOM 47 N ASP B 585 1.269 -5.025 17.412 1.00 0.00 N ATOM 48 CA ASP B 585 2.313 -5.217 16.436 1.00 0.00 C ATOM 49 C ASP B 585 1.743 -5.203 15.020 1.00 0.00 C ATOM 50 O ASP B 585 2.036 -6.082 14.210 1.00 0.00 O ATOM 51 CB ASP B 585 3.016 -6.544 16.704 1.00 0.00 C ATOM 52 CG ASP B 585 2.046 -7.700 16.846 1.00 0.00 C ATOM 53 OD1 ASP B 585 1.534 -7.913 17.966 1.00 0.00 O ATOM 54 OD2 ASP B 585 1.798 -8.394 15.837 1.00 0.00 O ATOM 0 H ASP B 585 0.869 -5.887 17.781 1.00 0.00 H new ATOM 0 HA ASP B 585 3.029 -4.399 16.520 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.709 -6.754 15.890 1.00 0.00 H new ATOM 0 HB3 ASP B 585 3.610 -6.459 17.614 1.00 0.00 H new ATOM 59 N GLU B 586 0.934 -4.190 14.727 1.00 0.00 N ATOM 60 CA GLU B 586 0.334 -4.036 13.415 1.00 0.00 C ATOM 61 C GLU B 586 1.260 -3.262 12.484 1.00 0.00 C ATOM 62 O GLU B 586 1.301 -3.502 11.278 1.00 0.00 O ATOM 63 CB GLU B 586 -1.014 -3.322 13.525 1.00 0.00 C ATOM 64 CG GLU B 586 -0.909 -1.897 14.045 1.00 0.00 C ATOM 65 CD GLU B 586 -2.264 -1.273 14.312 1.00 0.00 C ATOM 66 OE1 GLU B 586 -3.012 -1.816 15.152 1.00 0.00 O ATOM 67 OE2 GLU B 586 -2.576 -0.241 13.682 1.00 0.00 O ATOM 0 H GLU B 586 0.680 -3.459 15.391 1.00 0.00 H new ATOM 0 HA GLU B 586 0.174 -5.030 12.997 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -1.489 -3.308 12.544 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -1.665 -3.894 14.186 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -0.323 -1.892 14.964 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.369 -1.288 13.320 1.00 0.00 H new ATOM 74 N ASP B 587 1.975 -2.302 13.061 1.00 0.00 N ATOM 75 CA ASP B 587 2.879 -1.447 12.309 1.00 0.00 C ATOM 76 C ASP B 587 4.254 -2.083 12.105 1.00 0.00 C ATOM 77 O ASP B 587 4.989 -1.705 11.192 1.00 0.00 O ATOM 78 CB ASP B 587 3.014 -0.096 13.021 1.00 0.00 C ATOM 79 CG ASP B 587 4.026 -0.121 14.153 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.711 -0.692 15.218 1.00 0.00 O ATOM 81 OD2 ASP B 587 5.132 0.432 13.973 1.00 0.00 O ATOM 0 H ASP B 587 1.943 -2.097 14.060 1.00 0.00 H new ATOM 0 HA ASP B 587 2.451 -1.303 11.317 1.00 0.00 H new ATOM 0 HB2 ASP B 587 3.307 0.663 12.296 1.00 0.00 H new ATOM 0 HB3 ASP B 587 2.042 0.199 13.416 1.00 0.00 H new ATOM 86 N ASP B 588 4.608 -3.030 12.964 1.00 0.00 N ATOM 87 CA ASP B 588 5.910 -3.690 12.874 1.00 0.00 C ATOM 88 C ASP B 588 6.189 -4.204 11.467 1.00 0.00 C ATOM 89 O ASP B 588 7.241 -3.927 10.890 1.00 0.00 O ATOM 90 CB ASP B 588 6.007 -4.835 13.888 1.00 0.00 C ATOM 91 CG ASP B 588 4.960 -5.907 13.664 1.00 0.00 C ATOM 92 OD1 ASP B 588 3.974 -5.633 12.952 1.00 0.00 O ATOM 93 OD2 ASP B 588 5.128 -7.023 14.201 1.00 0.00 O ATOM 0 H ASP B 588 4.018 -3.359 13.728 1.00 0.00 H new ATOM 0 HA ASP B 588 6.669 -2.944 13.110 1.00 0.00 H new ATOM 0 HB2 ASP B 588 6.999 -5.284 13.829 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.899 -4.433 14.895 1.00 0.00 H new ATOM 98 N HIS B 589 5.248 -4.952 10.922 1.00 0.00 N ATOM 99 CA HIS B 589 5.382 -5.509 9.591 1.00 0.00 C ATOM 100 C HIS B 589 5.045 -4.475 8.520 1.00 0.00 C ATOM 101 O HIS B 589 5.465 -4.603 7.369 1.00 0.00 O ATOM 102 CB HIS B 589 4.477 -6.729 9.446 1.00 0.00 C ATOM 103 CG HIS B 589 3.079 -6.513 9.935 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.173 -5.553 9.636 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.461 -7.354 10.837 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.035 -5.832 10.353 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.234 -6.922 11.069 1.00 0.00 N flip ATOM 0 H HIS B 589 4.372 -5.189 11.388 1.00 0.00 H new ATOM 0 HA HIS B 589 6.420 -5.810 9.451 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.443 -7.020 8.396 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.918 -7.562 9.993 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.910 -8.229 11.284 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.124 -5.252 10.334 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.556 -7.357 11.695 1.00 0.00 H new ATOM 116 N LEU B 590 4.284 -3.456 8.903 1.00 0.00 N ATOM 117 CA LEU B 590 3.889 -2.405 7.972 1.00 0.00 C ATOM 118 C LEU B 590 5.109 -1.782 7.301 1.00 0.00 C ATOM 119 O LEU B 590 5.052 -1.373 6.144 1.00 0.00 O ATOM 120 CB LEU B 590 3.083 -1.324 8.693 1.00 0.00 C ATOM 121 CG LEU B 590 2.795 -0.074 7.861 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.788 -0.382 6.766 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.301 1.055 8.751 1.00 0.00 C ATOM 0 H LEU B 590 3.928 -3.335 9.851 1.00 0.00 H new ATOM 0 HA LEU B 590 3.265 -2.859 7.202 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.135 -1.753 9.017 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.623 -1.028 9.592 1.00 0.00 H new ATOM 0 HG LEU B 590 3.722 0.248 7.387 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.596 0.520 6.184 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.187 -1.157 6.112 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.857 -0.730 7.215 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.101 1.937 8.143 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.385 0.747 9.255 1.00 0.00 H new ATOM 0 HD23 LEU B 590 3.062 1.292 9.494 1.00 0.00 H new ATOM 135 N ILE B 591 6.207 -1.701 8.033 1.00 0.00 N ATOM 136 CA ILE B 591 7.425 -1.131 7.496 1.00 0.00 C ATOM 137 C ILE B 591 8.237 -2.191 6.744 1.00 0.00 C ATOM 138 O ILE B 591 8.964 -1.879 5.802 1.00 0.00 O ATOM 139 CB ILE B 591 8.283 -0.482 8.602 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.534 0.711 9.203 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.633 -0.040 8.052 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.255 1.351 10.370 1.00 0.00 C ATOM 0 H ILE B 591 6.278 -2.023 8.998 1.00 0.00 H new ATOM 0 HA ILE B 591 7.137 -0.349 6.794 1.00 0.00 H new ATOM 0 HB ILE B 591 8.464 -1.221 9.383 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.379 1.461 8.427 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.548 0.383 9.531 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.220 0.414 8.850 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.166 -0.905 7.657 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.481 0.687 7.255 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.667 2.189 10.746 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.387 0.616 11.164 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.231 1.710 10.042 1.00 0.00 H new ATOM 154 N TYR B 592 8.106 -3.447 7.175 1.00 0.00 N ATOM 155 CA TYR B 592 8.825 -4.559 6.553 1.00 0.00 C ATOM 156 C TYR B 592 8.387 -4.765 5.109 1.00 0.00 C ATOM 157 O TYR B 592 9.207 -5.029 4.232 1.00 0.00 O ATOM 158 CB TYR B 592 8.632 -5.844 7.379 1.00 0.00 C ATOM 159 CG TYR B 592 8.227 -7.055 6.564 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.963 -7.138 6.003 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.114 -8.102 6.345 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.589 -8.225 5.245 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.747 -9.199 5.588 1.00 0.00 C ATOM 164 CZ TYR B 592 7.482 -9.255 5.039 1.00 0.00 C ATOM 165 OH TYR B 592 7.112 -10.343 4.282 1.00 0.00 O ATOM 0 H TYR B 592 7.507 -3.719 7.954 1.00 0.00 H new ATOM 0 HA TYR B 592 9.887 -4.313 6.537 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.561 -6.068 7.903 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.873 -5.662 8.140 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.258 -6.336 6.163 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.105 -8.058 6.773 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.600 -8.271 4.814 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.446 -10.007 5.427 1.00 0.00 H new ATOM 0 HH TYR B 592 7.858 -10.977 4.234 1.00 0.00 H new ATOM 175 N LEU B 593 7.095 -4.647 4.869 1.00 0.00 N ATOM 176 CA LEU B 593 6.560 -4.822 3.528 1.00 0.00 C ATOM 177 C LEU B 593 6.791 -3.564 2.701 1.00 0.00 C ATOM 178 O LEU B 593 6.726 -3.590 1.472 1.00 0.00 O ATOM 179 CB LEU B 593 5.072 -5.216 3.567 1.00 0.00 C ATOM 180 CG LEU B 593 4.046 -4.089 3.387 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.289 -2.985 4.390 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.063 -3.547 1.965 1.00 0.00 C ATOM 0 H LEU B 593 6.397 -4.432 5.581 1.00 0.00 H new ATOM 0 HA LEU B 593 7.091 -5.643 3.047 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.898 -5.959 2.789 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.876 -5.703 4.522 1.00 0.00 H new ATOM 0 HG LEU B 593 3.055 -4.505 3.568 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.552 -2.195 4.247 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.201 -3.385 5.400 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.290 -2.578 4.247 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.325 -2.750 1.870 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.054 -3.153 1.738 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.822 -4.349 1.267 1.00 0.00 H new ATOM 194 N GLU B 594 7.060 -2.459 3.380 1.00 0.00 N ATOM 195 CA GLU B 594 7.301 -1.203 2.700 1.00 0.00 C ATOM 196 C GLU B 594 8.539 -1.290 1.814 1.00 0.00 C ATOM 197 O GLU B 594 8.614 -0.642 0.771 1.00 0.00 O ATOM 198 CB GLU B 594 7.463 -0.078 3.710 1.00 0.00 C ATOM 199 CG GLU B 594 7.772 1.272 3.080 1.00 0.00 C ATOM 200 CD GLU B 594 7.778 2.402 4.092 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.789 2.112 5.307 1.00 0.00 O ATOM 202 OE2 GLU B 594 7.771 3.578 3.669 1.00 0.00 O ATOM 0 H GLU B 594 7.116 -2.410 4.397 1.00 0.00 H new ATOM 0 HA GLU B 594 6.439 -0.992 2.067 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.548 0.006 4.296 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.263 -0.337 4.403 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.744 1.225 2.588 1.00 0.00 H new ATOM 0 HG3 GLU B 594 7.033 1.485 2.307 1.00 0.00 H new ATOM 209 N GLU B 595 9.512 -2.083 2.250 1.00 0.00 N ATOM 210 CA GLU B 595 10.762 -2.245 1.512 1.00 0.00 C ATOM 211 C GLU B 595 10.622 -3.208 0.339 1.00 0.00 C ATOM 212 O GLU B 595 11.060 -2.911 -0.772 1.00 0.00 O ATOM 213 CB GLU B 595 11.883 -2.703 2.448 1.00 0.00 C ATOM 214 CG GLU B 595 11.520 -3.894 3.318 1.00 0.00 C ATOM 215 CD GLU B 595 12.718 -4.470 4.046 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.631 -4.989 3.370 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.746 -4.399 5.293 1.00 0.00 O ATOM 0 H GLU B 595 9.460 -2.625 3.112 1.00 0.00 H new ATOM 0 HA GLU B 595 11.018 -1.269 1.099 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.759 -2.957 1.851 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.167 -1.870 3.092 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.768 -3.591 4.046 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.069 -4.669 2.698 1.00 0.00 H new ATOM 224 N ILE B 596 10.017 -4.358 0.587 1.00 0.00 N ATOM 225 CA ILE B 596 9.830 -5.361 -0.468 1.00 0.00 C ATOM 226 C ILE B 596 9.188 -4.749 -1.704 1.00 0.00 C ATOM 227 O ILE B 596 9.379 -5.230 -2.821 1.00 0.00 O ATOM 228 CB ILE B 596 8.989 -6.567 -0.001 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.753 -6.106 0.766 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.825 -7.496 0.860 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.520 -5.979 -0.099 1.00 0.00 C ATOM 0 H ILE B 596 9.647 -4.626 1.499 1.00 0.00 H new ATOM 0 HA ILE B 596 10.828 -5.722 -0.716 1.00 0.00 H new ATOM 0 HB ILE B 596 8.659 -7.111 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.551 -6.812 1.572 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.962 -5.143 1.231 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.216 -8.341 1.181 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.675 -7.860 0.283 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.185 -6.955 1.735 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.680 -5.648 0.511 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.704 -5.251 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.286 -6.946 -0.543 1.00 0.00 H new ATOM 243 N LEU B 597 8.432 -3.687 -1.494 1.00 0.00 N ATOM 244 CA LEU B 597 7.762 -2.998 -2.585 1.00 0.00 C ATOM 245 C LEU B 597 8.750 -2.271 -3.469 1.00 0.00 C ATOM 246 O LEU B 597 9.146 -2.759 -4.528 1.00 0.00 O ATOM 247 CB LEU B 597 6.754 -1.994 -2.028 1.00 0.00 C ATOM 248 CG LEU B 597 6.328 -0.887 -3.006 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.566 -1.472 -4.182 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.493 0.163 -2.290 1.00 0.00 C ATOM 0 H LEU B 597 8.265 -3.280 -0.574 1.00 0.00 H new ATOM 0 HA LEU B 597 7.248 -3.749 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.864 -2.536 -1.707 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.181 -1.528 -1.140 1.00 0.00 H new ATOM 0 HG LEU B 597 7.226 -0.405 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.274 -0.671 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.202 -2.182 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.674 -1.983 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.200 0.939 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.601 -0.304 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.079 0.608 -1.486 1.00 0.00 H new ATOM 262 N VAL B 598 9.112 -1.084 -3.030 1.00 0.00 N ATOM 263 CA VAL B 598 10.014 -0.241 -3.766 1.00 0.00 C ATOM 264 C VAL B 598 10.954 0.486 -2.821 1.00 0.00 C ATOM 265 O VAL B 598 11.397 1.601 -3.097 1.00 0.00 O ATOM 266 CB VAL B 598 9.235 0.788 -4.605 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.315 0.100 -5.607 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.437 1.709 -3.698 1.00 0.00 C ATOM 0 H VAL B 598 8.786 -0.681 -2.151 1.00 0.00 H new ATOM 0 HA VAL B 598 10.597 -0.876 -4.433 1.00 0.00 H new ATOM 0 HB VAL B 598 9.956 1.382 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.778 0.853 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.908 -0.519 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.600 -0.526 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.891 2.432 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.732 1.120 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.115 2.236 -3.027 1.00 0.00 H new ATOM 278 N ARG B 599 11.245 -0.156 -1.703 1.00 0.00 N ATOM 279 CA ARG B 599 12.125 0.422 -0.702 1.00 0.00 C ATOM 280 C ARG B 599 13.071 -0.628 -0.128 1.00 0.00 C ATOM 281 O ARG B 599 13.337 -0.648 1.073 1.00 0.00 O ATOM 282 CB ARG B 599 11.311 1.068 0.419 1.00 0.00 C ATOM 283 CG ARG B 599 10.767 2.441 0.063 1.00 0.00 C ATOM 284 CD ARG B 599 10.315 3.202 1.299 1.00 0.00 C ATOM 285 NE ARG B 599 11.299 4.199 1.721 1.00 0.00 N ATOM 286 CZ ARG B 599 12.233 3.982 2.644 1.00 0.00 C ATOM 287 NH1 ARG B 599 12.326 2.804 3.251 1.00 0.00 N ATOM 288 NH2 ARG B 599 13.083 4.949 2.964 1.00 0.00 N ATOM 0 H ARG B 599 10.884 -1.080 -1.465 1.00 0.00 H new ATOM 0 HA ARG B 599 12.725 1.191 -1.189 1.00 0.00 H new ATOM 0 HB2 ARG B 599 10.479 0.413 0.677 1.00 0.00 H new ATOM 0 HB3 ARG B 599 11.936 1.154 1.308 1.00 0.00 H new ATOM 0 HG2 ARG B 599 11.535 3.014 -0.457 1.00 0.00 H new ATOM 0 HG3 ARG B 599 9.929 2.334 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG B 599 9.365 3.695 1.093 1.00 0.00 H new ATOM 0 HD3 ARG B 599 10.140 2.499 2.113 1.00 0.00 H new ATOM 0 HE ARG B 599 11.267 5.118 1.280 1.00 0.00 H new ATOM 0 HH11 ARG B 599 11.677 2.054 3.011 1.00 0.00 H new ATOM 0 HH12 ARG B 599 13.046 2.649 3.957 1.00 0.00 H new ATOM 0 HH21 ARG B 599 13.020 5.857 2.503 1.00 0.00 H new ATOM 0 HH22 ARG B 599 13.800 4.785 3.671 1.00 0.00 H new ATOM 302 N VAL B 600 13.577 -1.499 -0.995 1.00 0.00 N ATOM 303 CA VAL B 600 14.494 -2.551 -0.573 1.00 0.00 C ATOM 304 C VAL B 600 15.883 -1.987 -0.288 1.00 0.00 C ATOM 305 O VAL B 600 16.385 -2.195 0.837 1.00 0.00 O ATOM 306 CB VAL B 600 14.606 -3.658 -1.640 1.00 0.00 C ATOM 307 CG1 VAL B 600 15.156 -3.097 -2.943 1.00 0.00 C ATOM 308 CG2 VAL B 600 15.473 -4.803 -1.136 1.00 0.00 C ATOM 309 OXT VAL B 600 16.456 -1.342 -1.190 1.00 0.00 O ATOM 0 H VAL B 600 13.368 -1.497 -1.993 1.00 0.00 H new ATOM 0 HA VAL B 600 14.086 -2.981 0.342 1.00 0.00 H new ATOM 0 HB VAL B 600 13.607 -4.047 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL B 600 15.227 -3.895 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL B 600 14.490 -2.318 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL B 600 16.146 -2.675 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL B 600 15.540 -5.574 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL B 600 16.472 -4.430 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL B 600 15.029 -5.226 -0.235 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -18.180 -5.359 -0.012 1.00 0.00 N ATOM 321 CA ASP A 451 -16.891 -5.557 0.698 1.00 0.00 C ATOM 322 C ASP A 451 -15.705 -5.336 -0.236 1.00 0.00 C ATOM 323 O ASP A 451 -15.515 -6.077 -1.201 1.00 0.00 O ATOM 324 CB ASP A 451 -16.862 -6.974 1.266 1.00 0.00 C ATOM 325 CG ASP A 451 -16.773 -6.989 2.780 1.00 0.00 C ATOM 326 OD1 ASP A 451 -17.696 -6.458 3.433 1.00 0.00 O ATOM 327 OD2 ASP A 451 -15.782 -7.531 3.312 1.00 0.00 O ATOM 0 HA ASP A 451 -16.810 -4.828 1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.760 -7.507 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -16.010 -7.512 0.849 1.00 0.00 H new ATOM 334 N VAL A 452 -14.910 -4.311 0.057 1.00 0.00 N ATOM 335 CA VAL A 452 -13.744 -3.992 -0.755 1.00 0.00 C ATOM 336 C VAL A 452 -12.754 -5.153 -0.774 1.00 0.00 C ATOM 337 O VAL A 452 -12.765 -6.006 0.113 1.00 0.00 O ATOM 338 CB VAL A 452 -13.031 -2.724 -0.241 1.00 0.00 C ATOM 339 CG1 VAL A 452 -11.867 -2.353 -1.150 1.00 0.00 C ATOM 340 CG2 VAL A 452 -14.014 -1.570 -0.128 1.00 0.00 C ATOM 0 H VAL A 452 -15.054 -3.688 0.852 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.102 -3.810 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 452 -12.632 -2.934 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -11.379 -1.456 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -11.150 -3.173 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.238 -2.164 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -13.494 -0.684 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -14.445 -1.362 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -14.809 -1.836 0.569 1.00 0.00 H new ATOM 350 N GLN A 453 -11.897 -5.176 -1.790 1.00 0.00 N ATOM 351 CA GLN A 453 -10.897 -6.230 -1.927 1.00 0.00 C ATOM 352 C GLN A 453 -9.563 -5.652 -2.386 1.00 0.00 C ATOM 353 O GLN A 453 -9.523 -4.755 -3.229 1.00 0.00 O ATOM 354 CB GLN A 453 -11.366 -7.308 -2.909 1.00 0.00 C ATOM 355 CG GLN A 453 -12.803 -7.137 -3.378 1.00 0.00 C ATOM 356 CD GLN A 453 -13.372 -8.403 -3.986 1.00 0.00 C ATOM 357 OE1 GLN A 453 -12.906 -9.506 -3.701 1.00 0.00 O ATOM 358 NE2 GLN A 453 -14.389 -8.252 -4.827 1.00 0.00 N ATOM 0 H GLN A 453 -11.875 -4.476 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.763 -6.689 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -10.708 -7.304 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -11.263 -8.285 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.423 -6.833 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.848 -6.333 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -14.744 -7.319 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -14.815 -9.069 -5.264 1.00 0.00 H new ATOM 367 N VAL A 454 -8.472 -6.165 -1.827 1.00 0.00 N ATOM 368 CA VAL A 454 -7.141 -5.691 -2.183 1.00 0.00 C ATOM 369 C VAL A 454 -6.596 -6.442 -3.383 1.00 0.00 C ATOM 370 O VAL A 454 -6.187 -7.597 -3.276 1.00 0.00 O ATOM 371 CB VAL A 454 -6.165 -5.819 -0.996 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.726 -6.022 -1.463 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.278 -4.585 -0.136 1.00 0.00 C ATOM 0 H VAL A 454 -8.484 -6.907 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.233 -4.637 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.435 -6.701 -0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.071 -6.107 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.662 -6.933 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.417 -5.171 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.592 -4.665 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.025 -3.705 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.299 -4.492 0.235 1.00 0.00 H new ATOM 383 N THR A 455 -6.600 -5.778 -4.528 1.00 0.00 N ATOM 384 CA THR A 455 -6.112 -6.387 -5.746 1.00 0.00 C ATOM 385 C THR A 455 -5.160 -5.485 -6.496 1.00 0.00 C ATOM 386 O THR A 455 -5.116 -4.275 -6.280 1.00 0.00 O ATOM 387 CB THR A 455 -7.279 -6.759 -6.638 1.00 0.00 C ATOM 388 OG1 THR A 455 -8.154 -5.656 -6.810 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.075 -7.898 -6.060 1.00 0.00 C ATOM 0 H THR A 455 -6.935 -4.821 -4.635 1.00 0.00 H new ATOM 0 HA THR A 455 -5.559 -7.283 -5.464 1.00 0.00 H new ATOM 0 HB THR A 455 -6.856 -7.059 -7.597 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.899 -5.917 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.904 -8.138 -6.726 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.433 -8.772 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.466 -7.610 -5.084 1.00 0.00 H new ATOM 397 N GLU A 456 -4.421 -6.095 -7.403 1.00 0.00 N ATOM 398 CA GLU A 456 -3.476 -5.384 -8.230 1.00 0.00 C ATOM 399 C GLU A 456 -4.190 -4.317 -9.040 1.00 0.00 C ATOM 400 O GLU A 456 -3.833 -3.142 -9.000 1.00 0.00 O ATOM 401 CB GLU A 456 -2.796 -6.375 -9.164 1.00 0.00 C ATOM 402 CG GLU A 456 -1.533 -6.987 -8.584 1.00 0.00 C ATOM 403 CD GLU A 456 -0.712 -7.722 -9.625 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.384 -7.111 -10.664 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.397 -8.910 -9.402 1.00 0.00 O ATOM 0 H GLU A 456 -4.462 -7.098 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.731 -4.900 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.498 -7.173 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.550 -5.871 -10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.925 -6.201 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.802 -7.677 -7.784 1.00 0.00 H new ATOM 412 N ASP A 457 -5.206 -4.750 -9.772 1.00 0.00 N ATOM 413 CA ASP A 457 -5.995 -3.851 -10.611 1.00 0.00 C ATOM 414 C ASP A 457 -6.510 -2.650 -9.825 1.00 0.00 C ATOM 415 O ASP A 457 -6.734 -1.577 -10.385 1.00 0.00 O ATOM 416 CB ASP A 457 -7.163 -4.606 -11.239 1.00 0.00 C ATOM 417 CG ASP A 457 -7.091 -4.633 -12.753 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.478 -3.714 -13.334 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.647 -5.575 -13.357 1.00 0.00 O ATOM 0 H ASP A 457 -5.507 -5.724 -9.804 1.00 0.00 H new ATOM 0 HA ASP A 457 -5.341 -3.476 -11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -7.176 -5.628 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -8.099 -4.141 -10.931 1.00 0.00 H new ATOM 424 N ALA A 458 -6.706 -2.840 -8.529 1.00 0.00 N ATOM 425 CA ALA A 458 -7.205 -1.779 -7.666 1.00 0.00 C ATOM 426 C ALA A 458 -6.113 -0.777 -7.313 1.00 0.00 C ATOM 427 O ALA A 458 -6.377 0.416 -7.177 1.00 0.00 O ATOM 428 CB ALA A 458 -7.806 -2.368 -6.397 1.00 0.00 C ATOM 0 H ALA A 458 -6.526 -3.722 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.980 -1.245 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.175 -1.563 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.631 -3.031 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.043 -2.933 -5.861 1.00 0.00 H new ATOM 434 N VAL A 459 -4.889 -1.263 -7.149 1.00 0.00 N ATOM 435 CA VAL A 459 -3.777 -0.395 -6.795 1.00 0.00 C ATOM 436 C VAL A 459 -3.292 0.417 -7.990 1.00 0.00 C ATOM 437 O VAL A 459 -2.879 1.567 -7.842 1.00 0.00 O ATOM 438 CB VAL A 459 -2.595 -1.183 -6.205 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.613 -0.234 -5.540 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.087 -2.227 -5.216 1.00 0.00 C ATOM 0 H VAL A 459 -4.644 -2.247 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.158 0.286 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.082 -1.701 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.781 -0.803 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.237 0.475 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.116 0.308 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.236 -2.773 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.623 -1.735 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.756 -2.922 -5.723 1.00 0.00 H new ATOM 450 N ARG A 460 -3.347 -0.183 -9.168 1.00 0.00 N ATOM 451 CA ARG A 460 -2.912 0.495 -10.386 1.00 0.00 C ATOM 452 C ARG A 460 -3.730 1.761 -10.618 1.00 0.00 C ATOM 453 O ARG A 460 -3.203 2.778 -11.066 1.00 0.00 O ATOM 454 CB ARG A 460 -3.025 -0.433 -11.602 1.00 0.00 C ATOM 455 CG ARG A 460 -2.430 -1.820 -11.390 1.00 0.00 C ATOM 456 CD ARG A 460 -0.996 -1.759 -10.878 1.00 0.00 C ATOM 457 NE ARG A 460 -0.029 -2.084 -11.923 1.00 0.00 N ATOM 458 CZ ARG A 460 0.449 -1.200 -12.798 1.00 0.00 C ATOM 459 NH1 ARG A 460 0.052 0.067 -12.757 1.00 0.00 N ATOM 460 NH2 ARG A 460 1.325 -1.583 -13.715 1.00 0.00 N ATOM 0 H ARG A 460 -3.687 -1.134 -9.310 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.865 0.771 -10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.077 -0.538 -11.867 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.528 0.037 -12.450 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.045 -2.372 -10.679 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.455 -2.372 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.791 -0.761 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.878 -2.453 -10.046 1.00 0.00 H new ATOM 0 HE ARG A 460 0.301 -3.047 -11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.622 0.368 -12.053 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.421 0.739 -13.429 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.634 -2.555 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 460 1.691 -0.906 -14.385 1.00 0.00 H new ATOM 474 N ARG A 461 -5.020 1.696 -10.298 1.00 0.00 N ATOM 475 CA ARG A 461 -5.909 2.837 -10.456 1.00 0.00 C ATOM 476 C ARG A 461 -5.550 3.925 -9.451 1.00 0.00 C ATOM 477 O ARG A 461 -5.700 5.116 -9.728 1.00 0.00 O ATOM 478 CB ARG A 461 -7.366 2.386 -10.293 1.00 0.00 C ATOM 479 CG ARG A 461 -7.919 2.597 -8.900 1.00 0.00 C ATOM 480 CD ARG A 461 -9.375 2.179 -8.802 1.00 0.00 C ATOM 481 NE ARG A 461 -10.237 3.289 -8.404 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.562 3.202 -8.312 1.00 0.00 C ATOM 483 NH1 ARG A 461 -12.180 2.061 -8.590 1.00 0.00 N ATOM 484 NH2 ARG A 461 -12.272 4.260 -7.941 1.00 0.00 N ATOM 0 H ARG A 461 -5.472 0.860 -9.926 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.791 3.254 -11.456 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -7.986 2.929 -11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.440 1.328 -10.547 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.328 2.026 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.823 3.648 -8.626 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.706 1.790 -9.765 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.472 1.368 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 461 -9.798 4.183 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.639 1.245 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -13.196 2.000 -8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.802 5.140 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -13.287 4.194 -7.870 1.00 0.00 H new ATOM 498 N TYR A 462 -5.063 3.506 -8.290 1.00 0.00 N ATOM 499 CA TYR A 462 -4.666 4.442 -7.250 1.00 0.00 C ATOM 500 C TYR A 462 -3.528 5.325 -7.747 1.00 0.00 C ATOM 501 O TYR A 462 -3.544 6.540 -7.560 1.00 0.00 O ATOM 502 CB TYR A 462 -4.239 3.687 -5.985 1.00 0.00 C ATOM 503 CG TYR A 462 -5.332 2.828 -5.376 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.653 2.926 -5.805 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.039 1.915 -4.366 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.646 2.143 -5.247 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.029 1.130 -3.805 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.329 1.247 -4.249 1.00 0.00 C ATOM 509 OH TYR A 462 -8.317 0.468 -3.692 1.00 0.00 O ATOM 0 H TYR A 462 -4.934 2.524 -8.046 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.520 5.073 -7.004 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.385 3.053 -6.224 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.902 4.409 -5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.906 3.626 -6.587 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.022 1.819 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.666 2.233 -5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.785 0.428 -3.022 1.00 0.00 H new ATOM 0 HH TYR A 462 -7.939 -0.071 -2.966 1.00 0.00 H new ATOM 519 N LEU A 463 -2.547 4.697 -8.391 1.00 0.00 N ATOM 520 CA LEU A 463 -1.393 5.403 -8.930 1.00 0.00 C ATOM 521 C LEU A 463 -1.801 6.338 -10.056 1.00 0.00 C ATOM 522 O LEU A 463 -1.588 7.549 -9.978 1.00 0.00 O ATOM 523 CB LEU A 463 -0.357 4.407 -9.443 1.00 0.00 C ATOM 524 CG LEU A 463 -0.375 3.029 -8.784 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.818 2.214 -9.245 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.384 3.158 -7.266 1.00 0.00 C ATOM 0 H LEU A 463 -2.532 3.690 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 463 -0.959 5.997 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.505 4.278 -10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.634 4.840 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.287 2.512 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.795 1.234 -8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.779 2.093 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.739 2.729 -8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.397 2.165 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.509 3.692 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.271 3.709 -6.953 1.00 0.00 H new ATOM 538 N THR A 464 -2.396 5.774 -11.103 1.00 0.00 N ATOM 539 CA THR A 464 -2.840 6.567 -12.241 1.00 0.00 C ATOM 540 C THR A 464 -3.649 7.767 -11.769 1.00 0.00 C ATOM 541 O THR A 464 -3.727 8.788 -12.452 1.00 0.00 O ATOM 542 CB THR A 464 -3.674 5.710 -13.197 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.072 4.503 -12.574 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.940 5.350 -14.471 1.00 0.00 C ATOM 0 H THR A 464 -2.581 4.774 -11.186 1.00 0.00 H new ATOM 0 HA THR A 464 -1.960 6.927 -12.774 1.00 0.00 H new ATOM 0 HB THR A 464 -4.538 6.323 -13.454 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.306 3.895 -12.519 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.587 4.742 -15.104 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.664 6.261 -15.002 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.040 4.787 -14.225 1.00 0.00 H new ATOM 552 N ARG A 465 -4.246 7.635 -10.590 1.00 0.00 N ATOM 553 CA ARG A 465 -5.043 8.698 -10.019 1.00 0.00 C ATOM 554 C ARG A 465 -4.191 9.613 -9.135 1.00 0.00 C ATOM 555 O ARG A 465 -4.467 10.806 -9.023 1.00 0.00 O ATOM 556 CB ARG A 465 -6.205 8.119 -9.208 1.00 0.00 C ATOM 557 CG ARG A 465 -7.233 9.158 -8.791 1.00 0.00 C ATOM 558 CD ARG A 465 -8.399 8.522 -8.053 1.00 0.00 C ATOM 559 NE ARG A 465 -9.064 9.469 -7.161 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.039 9.135 -6.319 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.464 7.879 -6.250 1.00 0.00 N ATOM 562 NH2 ARG A 465 -10.590 10.058 -5.543 1.00 0.00 N ATOM 0 H ARG A 465 -4.189 6.795 -10.014 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.445 9.292 -10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.699 7.347 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.808 7.634 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.760 9.904 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.601 9.682 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.119 8.138 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.041 7.670 -7.475 1.00 0.00 H new ATOM 0 HE ARG A 465 -8.763 10.443 -7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.043 7.165 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.212 7.628 -5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -10.267 11.024 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -11.337 9.802 -4.898 1.00 0.00 H new ATOM 576 N LYS A 466 -3.160 9.036 -8.507 1.00 0.00 N ATOM 577 CA LYS A 466 -2.254 9.775 -7.628 1.00 0.00 C ATOM 578 C LYS A 466 -1.385 8.810 -6.816 1.00 0.00 C ATOM 579 O LYS A 466 -1.630 7.607 -6.805 1.00 0.00 O ATOM 580 CB LYS A 466 -3.045 10.698 -6.702 1.00 0.00 C ATOM 581 CG LYS A 466 -2.812 12.186 -6.940 1.00 0.00 C ATOM 582 CD LYS A 466 -2.398 12.520 -8.373 1.00 0.00 C ATOM 583 CE LYS A 466 -0.896 12.728 -8.489 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.383 13.673 -7.458 1.00 0.00 N ATOM 0 H LYS A 466 -2.933 8.046 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.597 10.388 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.108 10.486 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -2.787 10.464 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -3.724 12.731 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.040 12.538 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.706 11.714 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.917 13.421 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.388 11.769 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.658 13.110 -9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.258 14.359 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.181 14.178 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 0.132 13.143 -6.727 1.00 0.00 H new ATOM 598 N PRO A 467 -0.333 9.316 -6.146 1.00 0.00 N ATOM 599 CA PRO A 467 0.578 8.473 -5.368 1.00 0.00 C ATOM 600 C PRO A 467 -0.004 7.980 -4.048 1.00 0.00 C ATOM 601 O PRO A 467 -0.983 8.523 -3.536 1.00 0.00 O ATOM 602 CB PRO A 467 1.782 9.379 -5.143 1.00 0.00 C ATOM 603 CG PRO A 467 1.204 10.745 -5.118 1.00 0.00 C ATOM 604 CD PRO A 467 0.078 10.732 -6.116 1.00 0.00 C ATOM 0 HA PRO A 467 0.811 7.548 -5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.290 9.143 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.517 9.271 -5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.841 10.998 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.953 11.491 -5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.741 11.382 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.406 11.077 -7.097 1.00 0.00 H new ATOM 612 N MET A 468 0.612 6.922 -3.521 1.00 0.00 N ATOM 613 CA MET A 468 0.176 6.304 -2.272 1.00 0.00 C ATOM 614 C MET A 468 1.352 5.665 -1.538 1.00 0.00 C ATOM 615 O MET A 468 2.375 5.343 -2.141 1.00 0.00 O ATOM 616 CB MET A 468 -0.885 5.223 -2.547 1.00 0.00 C ATOM 617 CG MET A 468 -0.898 4.703 -3.984 1.00 0.00 C ATOM 618 SD MET A 468 -0.347 2.989 -4.117 1.00 0.00 S ATOM 619 CE MET A 468 1.436 3.184 -4.113 1.00 0.00 C ATOM 0 H MET A 468 1.423 6.472 -3.946 1.00 0.00 H new ATOM 0 HA MET A 468 -0.252 7.090 -1.649 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.715 4.385 -1.872 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.869 5.628 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 468 -1.908 4.787 -4.386 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.257 5.334 -4.599 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.881 2.449 -3.443 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.821 3.035 -5.122 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.692 4.187 -3.772 1.00 0.00 H new ATOM 629 N THR A 469 1.182 5.457 -0.237 1.00 0.00 N ATOM 630 CA THR A 469 2.208 4.823 0.579 1.00 0.00 C ATOM 631 C THR A 469 1.745 3.419 0.958 1.00 0.00 C ATOM 632 O THR A 469 0.558 3.109 0.849 1.00 0.00 O ATOM 633 CB THR A 469 2.478 5.639 1.844 1.00 0.00 C ATOM 634 OG1 THR A 469 1.424 5.480 2.777 1.00 0.00 O ATOM 635 CG2 THR A 469 2.638 7.117 1.579 1.00 0.00 C ATOM 0 H THR A 469 0.340 5.720 0.275 1.00 0.00 H new ATOM 0 HA THR A 469 3.133 4.768 0.006 1.00 0.00 H new ATOM 0 HB THR A 469 3.418 5.255 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.616 6.008 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 469 2.827 7.637 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.476 7.276 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 469 1.726 7.506 1.126 1.00 0.00 H new ATOM 643 N THR A 470 2.663 2.568 1.406 1.00 0.00 N ATOM 644 CA THR A 470 2.290 1.210 1.789 1.00 0.00 C ATOM 645 C THR A 470 1.358 1.228 2.985 1.00 0.00 C ATOM 646 O THR A 470 0.419 0.437 3.068 1.00 0.00 O ATOM 647 CB THR A 470 3.523 0.358 2.077 1.00 0.00 C ATOM 648 OG1 THR A 470 4.588 1.154 2.558 1.00 0.00 O ATOM 649 CG2 THR A 470 4.017 -0.389 0.859 1.00 0.00 C ATOM 0 H THR A 470 3.653 2.788 1.512 1.00 0.00 H new ATOM 0 HA THR A 470 1.762 0.759 0.949 1.00 0.00 H new ATOM 0 HB THR A 470 3.210 -0.364 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.856 0.839 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.895 -0.977 1.124 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.232 -1.052 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.280 0.323 0.077 1.00 0.00 H new ATOM 657 N LYS A 471 1.602 2.155 3.894 1.00 0.00 N ATOM 658 CA LYS A 471 0.760 2.299 5.071 1.00 0.00 C ATOM 659 C LYS A 471 -0.568 2.908 4.658 1.00 0.00 C ATOM 660 O LYS A 471 -1.636 2.390 4.982 1.00 0.00 O ATOM 661 CB LYS A 471 1.438 3.179 6.123 1.00 0.00 C ATOM 662 CG LYS A 471 2.910 2.863 6.325 1.00 0.00 C ATOM 663 CD LYS A 471 3.794 3.839 5.570 1.00 0.00 C ATOM 664 CE LYS A 471 5.020 3.149 4.990 1.00 0.00 C ATOM 665 NZ LYS A 471 5.184 3.437 3.539 1.00 0.00 N ATOM 0 H LYS A 471 2.375 2.819 3.841 1.00 0.00 H new ATOM 0 HA LYS A 471 0.595 1.316 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.336 4.224 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.916 3.062 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.149 2.900 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.115 1.847 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.222 4.302 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.109 4.639 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.910 3.477 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.936 2.073 5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.103 2.552 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.444 4.100 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 6.119 3.860 3.373 1.00 0.00 H new ATOM 679 N ASP A 472 -0.484 4.006 3.916 1.00 0.00 N ATOM 680 CA ASP A 472 -1.671 4.692 3.427 1.00 0.00 C ATOM 681 C ASP A 472 -2.485 3.771 2.521 1.00 0.00 C ATOM 682 O ASP A 472 -3.699 3.933 2.388 1.00 0.00 O ATOM 683 CB ASP A 472 -1.272 5.956 2.664 1.00 0.00 C ATOM 684 CG ASP A 472 -2.472 6.732 2.158 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.490 6.786 2.879 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.393 7.283 1.040 1.00 0.00 O ATOM 0 H ASP A 472 0.397 4.440 3.640 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.286 4.972 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.677 6.597 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.638 5.682 1.820 1.00 0.00 H new ATOM 691 N LEU A 473 -1.810 2.806 1.899 1.00 0.00 N ATOM 692 CA LEU A 473 -2.475 1.865 1.006 1.00 0.00 C ATOM 693 C LEU A 473 -3.390 0.926 1.780 1.00 0.00 C ATOM 694 O LEU A 473 -4.534 0.694 1.393 1.00 0.00 O ATOM 695 CB LEU A 473 -1.448 1.060 0.215 1.00 0.00 C ATOM 696 CG LEU A 473 -1.087 1.646 -1.148 1.00 0.00 C ATOM 697 CD1 LEU A 473 0.407 1.519 -1.410 1.00 0.00 C ATOM 698 CD2 LEU A 473 -1.887 0.957 -2.245 1.00 0.00 C ATOM 0 H LEU A 473 -0.806 2.657 1.998 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.085 2.441 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.539 0.973 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.832 0.050 0.070 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.340 2.706 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.642 1.943 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.959 2.056 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 473 0.691 0.467 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.621 1.384 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -1.662 -0.109 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.952 1.103 -2.065 1.00 0.00 H new ATOM 710 N LEU A 474 -2.870 0.386 2.871 1.00 0.00 N ATOM 711 CA LEU A 474 -3.633 -0.536 3.707 1.00 0.00 C ATOM 712 C LEU A 474 -4.513 0.208 4.703 1.00 0.00 C ATOM 713 O LEU A 474 -5.588 -0.268 5.066 1.00 0.00 O ATOM 714 CB LEU A 474 -2.712 -1.498 4.456 1.00 0.00 C ATOM 715 CG LEU A 474 -1.564 -0.828 5.195 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.935 -0.581 6.649 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.296 -1.668 5.095 1.00 0.00 C ATOM 0 H LEU A 474 -1.922 0.569 3.201 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.274 -1.110 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.306 -2.066 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.300 -2.214 3.745 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.370 0.136 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.101 -0.101 7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.811 0.066 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.160 -1.531 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.513 -1.171 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.474 -2.649 5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.019 -1.786 4.047 1.00 0.00 H new ATOM 729 N LYS A 475 -4.052 1.374 5.151 1.00 0.00 N ATOM 730 CA LYS A 475 -4.803 2.174 6.114 1.00 0.00 C ATOM 731 C LYS A 475 -6.266 2.303 5.693 1.00 0.00 C ATOM 732 O LYS A 475 -7.156 2.426 6.534 1.00 0.00 O ATOM 733 CB LYS A 475 -4.173 3.558 6.266 1.00 0.00 C ATOM 734 CG LYS A 475 -3.288 3.687 7.498 1.00 0.00 C ATOM 735 CD LYS A 475 -1.855 4.019 7.124 1.00 0.00 C ATOM 736 CE LYS A 475 -1.210 4.941 8.147 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.742 6.329 8.056 1.00 0.00 N ATOM 0 H LYS A 475 -3.164 1.785 4.863 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.767 1.665 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.581 3.779 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -4.964 4.306 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -3.684 4.465 8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.311 2.755 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.276 3.099 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -1.835 4.492 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.385 4.550 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.131 4.955 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.116 6.976 8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.786 6.619 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.696 6.363 8.469 1.00 0.00 H new ATOM 751 N LYS A 476 -6.504 2.267 4.385 1.00 0.00 N ATOM 752 CA LYS A 476 -7.852 2.371 3.851 1.00 0.00 C ATOM 753 C LYS A 476 -8.464 0.988 3.642 1.00 0.00 C ATOM 754 O LYS A 476 -9.667 0.796 3.829 1.00 0.00 O ATOM 755 CB LYS A 476 -7.858 3.158 2.537 1.00 0.00 C ATOM 756 CG LYS A 476 -6.698 2.821 1.615 1.00 0.00 C ATOM 757 CD LYS A 476 -7.136 2.789 0.160 1.00 0.00 C ATOM 758 CE LYS A 476 -7.362 1.366 -0.323 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.648 1.225 -1.059 1.00 0.00 N ATOM 0 H LYS A 476 -5.777 2.166 3.677 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.459 2.909 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.794 2.965 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.833 4.224 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.905 3.558 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.281 1.853 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -8.054 3.364 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.378 3.269 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.538 1.068 -0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.357 0.688 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.042 0.278 -0.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.320 1.944 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.481 1.354 -2.077 1.00 0.00 H new ATOM 773 N PHE A 477 -7.630 0.023 3.254 1.00 0.00 N ATOM 774 CA PHE A 477 -8.081 -1.341 3.022 1.00 0.00 C ATOM 775 C PHE A 477 -8.383 -2.076 4.331 1.00 0.00 C ATOM 776 O PHE A 477 -8.689 -3.268 4.318 1.00 0.00 O ATOM 777 CB PHE A 477 -7.008 -2.103 2.255 1.00 0.00 C ATOM 778 CG PHE A 477 -7.038 -1.865 0.776 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.212 -2.017 0.056 1.00 0.00 C ATOM 780 CD2 PHE A 477 -5.889 -1.487 0.106 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.236 -1.799 -1.306 1.00 0.00 C ATOM 782 CE2 PHE A 477 -5.907 -1.267 -1.255 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.082 -1.423 -1.964 1.00 0.00 C ATOM 0 H PHE A 477 -6.633 0.167 3.094 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.004 -1.292 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.029 -1.819 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.127 -3.170 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.118 -2.309 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -4.967 -1.363 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.157 -1.922 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.003 -0.973 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.098 -1.251 -3.030 1.00 0.00 H new ATOM 793 N GLN A 478 -8.287 -1.369 5.457 1.00 0.00 N ATOM 794 CA GLN A 478 -8.544 -1.969 6.765 1.00 0.00 C ATOM 795 C GLN A 478 -9.837 -2.786 6.764 1.00 0.00 C ATOM 796 O GLN A 478 -10.579 -2.797 5.783 1.00 0.00 O ATOM 797 CB GLN A 478 -8.618 -0.882 7.838 1.00 0.00 C ATOM 798 CG GLN A 478 -7.971 -1.282 9.155 1.00 0.00 C ATOM 799 CD GLN A 478 -8.792 -0.863 10.359 1.00 0.00 C ATOM 800 OE1 GLN A 478 -9.956 -1.239 10.494 1.00 0.00 O ATOM 801 NE2 GLN A 478 -8.187 -0.079 11.243 1.00 0.00 N ATOM 0 H GLN A 478 -8.033 -0.382 5.489 1.00 0.00 H new ATOM 0 HA GLN A 478 -7.718 -2.644 6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -8.133 0.020 7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -9.663 -0.631 8.018 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.831 -2.363 9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -6.981 -0.832 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -7.220 0.209 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -8.689 0.235 12.074 1.00 0.00 H new ATOM 810 N THR A 479 -10.093 -3.470 7.875 1.00 0.00 N ATOM 811 CA THR A 479 -11.289 -4.297 8.013 1.00 0.00 C ATOM 812 C THR A 479 -12.567 -3.457 8.001 1.00 0.00 C ATOM 813 O THR A 479 -13.670 -4.004 7.972 1.00 0.00 O ATOM 814 CB THR A 479 -11.219 -5.112 9.305 1.00 0.00 C ATOM 815 OG1 THR A 479 -9.875 -5.409 9.638 1.00 0.00 O ATOM 816 CG2 THR A 479 -11.973 -6.422 9.229 1.00 0.00 C ATOM 0 H THR A 479 -9.487 -3.468 8.695 1.00 0.00 H new ATOM 0 HA THR A 479 -11.322 -4.969 7.156 1.00 0.00 H new ATOM 0 HB THR A 479 -11.686 -4.487 10.066 1.00 0.00 H new ATOM 0 HG1 THR A 479 -9.374 -5.615 8.822 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.882 -6.950 10.178 1.00 0.00 H new ATOM 0 HG22 THR A 479 -13.025 -6.225 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 479 -11.556 -7.036 8.431 1.00 0.00 H new ATOM 824 N LYS A 480 -12.420 -2.131 8.027 1.00 0.00 N ATOM 825 CA LYS A 480 -13.569 -1.226 8.021 1.00 0.00 C ATOM 826 C LYS A 480 -14.635 -1.678 7.024 1.00 0.00 C ATOM 827 O LYS A 480 -15.827 -1.455 7.234 1.00 0.00 O ATOM 828 CB LYS A 480 -13.118 0.197 7.690 1.00 0.00 C ATOM 829 CG LYS A 480 -13.882 1.271 8.448 1.00 0.00 C ATOM 830 CD LYS A 480 -15.351 1.289 8.059 1.00 0.00 C ATOM 831 CE LYS A 480 -16.035 2.563 8.528 1.00 0.00 C ATOM 832 NZ LYS A 480 -16.297 2.546 9.994 1.00 0.00 N ATOM 0 H LYS A 480 -11.515 -1.660 8.052 1.00 0.00 H new ATOM 0 HA LYS A 480 -14.010 -1.245 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -12.055 0.293 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -13.236 0.366 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -13.791 1.096 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -13.439 2.246 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -15.443 1.203 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -15.854 0.424 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -15.411 3.422 8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -16.976 2.688 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -16.764 3.432 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -16.913 1.741 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -15.397 2.453 10.506 1.00 0.00 H new ATOM 846 N LYS A 481 -14.201 -2.317 5.941 1.00 0.00 N ATOM 847 CA LYS A 481 -15.126 -2.798 4.921 1.00 0.00 C ATOM 848 C LYS A 481 -14.530 -3.958 4.135 1.00 0.00 C ATOM 849 O LYS A 481 -15.212 -4.943 3.852 1.00 0.00 O ATOM 850 CB LYS A 481 -15.516 -1.664 3.972 1.00 0.00 C ATOM 851 CG LYS A 481 -16.601 -2.047 2.979 1.00 0.00 C ATOM 852 CD LYS A 481 -17.976 -1.609 3.460 1.00 0.00 C ATOM 853 CE LYS A 481 -19.065 -2.541 2.955 1.00 0.00 C ATOM 854 NZ LYS A 481 -19.309 -3.671 3.893 1.00 0.00 N ATOM 0 H LYS A 481 -13.219 -2.513 5.748 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.021 -3.157 5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.857 -0.811 4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -14.631 -1.340 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.389 -1.589 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.594 -3.127 2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.991 -1.586 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.176 -0.594 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.988 -1.979 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.782 -2.934 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.307 -3.958 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -18.703 -4.475 3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -19.087 -3.370 4.864 1.00 0.00 H new ATOM 868 N THR A 482 -13.252 -3.844 3.792 1.00 0.00 N ATOM 869 CA THR A 482 -12.567 -4.894 3.049 1.00 0.00 C ATOM 870 C THR A 482 -12.677 -6.240 3.765 1.00 0.00 C ATOM 871 O THR A 482 -12.411 -7.287 3.175 1.00 0.00 O ATOM 872 CB THR A 482 -11.098 -4.530 2.852 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.871 -3.163 3.146 1.00 0.00 O ATOM 874 CG2 THR A 482 -10.597 -4.789 1.446 1.00 0.00 C ATOM 0 H THR A 482 -12.671 -3.036 4.016 1.00 0.00 H new ATOM 0 HA THR A 482 -13.049 -4.984 2.076 1.00 0.00 H new ATOM 0 HB THR A 482 -10.550 -5.175 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.490 -3.081 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.546 -4.508 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 482 -10.706 -5.848 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.178 -4.198 0.738 1.00 0.00 H new ATOM 882 N GLY A 483 -13.054 -6.209 5.045 1.00 0.00 N ATOM 883 CA GLY A 483 -13.168 -7.435 5.807 1.00 0.00 C ATOM 884 C GLY A 483 -11.835 -8.133 5.939 1.00 0.00 C ATOM 885 O GLY A 483 -11.770 -9.328 6.228 1.00 0.00 O ATOM 0 H GLY A 483 -13.280 -5.359 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.563 -7.213 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.882 -8.101 5.322 1.00 0.00 H new ATOM 889 N LEU A 484 -10.767 -7.377 5.717 1.00 0.00 N ATOM 890 CA LEU A 484 -9.423 -7.913 5.800 1.00 0.00 C ATOM 891 C LEU A 484 -8.656 -7.286 6.958 1.00 0.00 C ATOM 892 O LEU A 484 -8.458 -6.072 7.003 1.00 0.00 O ATOM 893 CB LEU A 484 -8.679 -7.684 4.482 1.00 0.00 C ATOM 894 CG LEU A 484 -7.783 -8.839 4.029 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.555 -10.150 4.029 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.210 -8.558 2.649 1.00 0.00 C ATOM 0 H LEU A 484 -10.811 -6.387 5.477 1.00 0.00 H new ATOM 0 HA LEU A 484 -9.494 -8.985 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.412 -7.486 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -8.067 -6.788 4.580 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.957 -8.929 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -7.900 -10.958 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.917 -10.359 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.402 -10.073 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.575 -9.389 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.024 -8.440 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.619 -7.643 2.680 1.00 0.00 H new ATOM 908 N SER A 485 -8.233 -8.132 7.893 1.00 0.00 N ATOM 909 CA SER A 485 -7.486 -7.689 9.069 1.00 0.00 C ATOM 910 C SER A 485 -6.465 -6.609 8.721 1.00 0.00 C ATOM 911 O SER A 485 -5.875 -6.624 7.641 1.00 0.00 O ATOM 912 CB SER A 485 -6.767 -8.875 9.709 1.00 0.00 C ATOM 913 OG SER A 485 -7.156 -9.039 11.061 1.00 0.00 O ATOM 0 H SER A 485 -8.396 -9.138 7.859 1.00 0.00 H new ATOM 0 HA SER A 485 -8.204 -7.264 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.990 -9.784 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.689 -8.724 9.653 1.00 0.00 H new ATOM 0 HG SER A 485 -6.683 -9.806 11.447 1.00 0.00 H new ATOM 919 N SER A 486 -6.256 -5.680 9.648 1.00 0.00 N ATOM 920 CA SER A 486 -5.298 -4.602 9.442 1.00 0.00 C ATOM 921 C SER A 486 -3.904 -5.162 9.176 1.00 0.00 C ATOM 922 O SER A 486 -3.057 -4.492 8.585 1.00 0.00 O ATOM 923 CB SER A 486 -5.267 -3.677 10.660 1.00 0.00 C ATOM 924 OG SER A 486 -4.790 -2.389 10.311 1.00 0.00 O ATOM 0 H SER A 486 -6.737 -5.653 10.547 1.00 0.00 H new ATOM 0 HA SER A 486 -5.614 -4.028 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 486 -6.268 -3.595 11.084 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.629 -4.108 11.431 1.00 0.00 H new ATOM 0 HG SER A 486 -4.781 -1.817 11.106 1.00 0.00 H new ATOM 930 N GLU A 487 -3.675 -6.394 9.617 1.00 0.00 N ATOM 931 CA GLU A 487 -2.393 -7.053 9.430 1.00 0.00 C ATOM 932 C GLU A 487 -2.384 -7.855 8.139 1.00 0.00 C ATOM 933 O GLU A 487 -1.462 -7.748 7.331 1.00 0.00 O ATOM 934 CB GLU A 487 -2.076 -7.968 10.617 1.00 0.00 C ATOM 935 CG GLU A 487 -2.580 -7.438 11.950 1.00 0.00 C ATOM 936 CD GLU A 487 -1.916 -8.114 13.135 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.830 -8.702 12.950 1.00 0.00 O ATOM 938 OE2 GLU A 487 -2.484 -8.054 14.246 1.00 0.00 O ATOM 0 H GLU A 487 -4.368 -6.958 10.110 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.625 -6.282 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.516 -8.948 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.997 -8.110 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.400 -6.364 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.658 -7.584 12.011 1.00 0.00 H new ATOM 945 N GLN A 488 -3.424 -8.650 7.952 1.00 0.00 N ATOM 946 CA GLN A 488 -3.552 -9.468 6.756 1.00 0.00 C ATOM 947 C GLN A 488 -3.655 -8.576 5.528 1.00 0.00 C ATOM 948 O GLN A 488 -3.076 -8.874 4.483 1.00 0.00 O ATOM 949 CB GLN A 488 -4.772 -10.382 6.856 1.00 0.00 C ATOM 950 CG GLN A 488 -4.424 -11.811 7.238 1.00 0.00 C ATOM 951 CD GLN A 488 -5.375 -12.389 8.267 1.00 0.00 C ATOM 952 OE1 GLN A 488 -4.950 -12.937 9.284 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.671 -12.269 8.007 1.00 0.00 N ATOM 0 H GLN A 488 -4.194 -8.747 8.614 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.665 -10.095 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.463 -9.974 7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.293 -10.386 5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.438 -12.435 6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.408 -11.841 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.979 -11.807 7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.359 -12.639 8.663 1.00 0.00 H new ATOM 962 N THR A 489 -4.374 -7.464 5.668 1.00 0.00 N ATOM 963 CA THR A 489 -4.522 -6.514 4.574 1.00 0.00 C ATOM 964 C THR A 489 -3.149 -6.150 4.028 1.00 0.00 C ATOM 965 O THR A 489 -2.990 -5.858 2.845 1.00 0.00 O ATOM 966 CB THR A 489 -5.246 -5.251 5.049 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.541 -5.562 5.528 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.399 -4.204 3.967 1.00 0.00 C ATOM 0 H THR A 489 -4.860 -7.202 6.525 1.00 0.00 H new ATOM 0 HA THR A 489 -5.117 -6.976 3.786 1.00 0.00 H new ATOM 0 HB THR A 489 -4.619 -4.844 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.528 -5.597 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.920 -3.336 4.371 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.414 -3.902 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.973 -4.618 3.138 1.00 0.00 H new ATOM 976 N VAL A 490 -2.156 -6.189 4.912 1.00 0.00 N ATOM 977 CA VAL A 490 -0.780 -5.884 4.544 1.00 0.00 C ATOM 978 C VAL A 490 -0.118 -7.111 3.933 1.00 0.00 C ATOM 979 O VAL A 490 0.623 -7.013 2.954 1.00 0.00 O ATOM 980 CB VAL A 490 0.031 -5.428 5.767 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.330 -4.764 5.343 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.799 -4.491 6.625 1.00 0.00 C ATOM 0 H VAL A 490 -2.282 -6.431 5.895 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.800 -5.074 3.815 1.00 0.00 H new ATOM 0 HB VAL A 490 0.286 -6.307 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.884 -4.451 6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.930 -5.471 4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.109 -3.893 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.214 -4.174 7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.083 -3.617 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.697 -5.008 6.964 1.00 0.00 H new ATOM 992 N ASN A 491 -0.410 -8.267 4.516 1.00 0.00 N ATOM 993 CA ASN A 491 0.128 -9.531 4.035 1.00 0.00 C ATOM 994 C ASN A 491 -0.318 -9.776 2.595 1.00 0.00 C ATOM 995 O ASN A 491 0.387 -10.413 1.811 1.00 0.00 O ATOM 996 CB ASN A 491 -0.341 -10.666 4.953 1.00 0.00 C ATOM 997 CG ASN A 491 -0.224 -12.040 4.316 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.863 -12.472 3.936 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.353 -12.730 4.198 1.00 0.00 N ATOM 0 H ASN A 491 -1.021 -8.354 5.328 1.00 0.00 H new ATOM 0 HA ASN A 491 1.217 -9.495 4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.246 -10.648 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.379 -10.491 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.341 -13.659 3.778 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.232 -12.331 4.528 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.492 -9.254 2.260 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.049 -9.392 0.921 1.00 0.00 C ATOM 1008 C VAL A 492 -1.830 -8.118 0.104 1.00 0.00 C ATOM 1009 O VAL A 492 -2.114 -8.081 -1.091 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.557 -9.702 0.986 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.276 -8.665 1.839 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.159 -9.773 -0.412 1.00 0.00 C ATOM 0 H VAL A 492 -2.081 -8.727 2.905 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.533 -10.220 0.435 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.687 -10.678 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.340 -8.898 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.867 -8.678 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.136 -7.675 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.224 -9.993 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -4.020 -8.817 -0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.664 -10.560 -0.982 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.324 -7.077 0.754 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.066 -5.815 0.088 1.00 0.00 C ATOM 1024 C LEU A 493 0.378 -5.758 -0.401 1.00 0.00 C ATOM 1025 O LEU A 493 0.659 -5.272 -1.496 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.344 -4.647 1.041 1.00 0.00 C ATOM 1027 CG LEU A 493 -0.842 -3.285 0.565 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.357 -2.982 -0.833 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.257 -2.193 1.537 1.00 0.00 C ATOM 0 H LEU A 493 -1.085 -7.087 1.746 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.730 -5.735 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.419 -4.582 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.886 -4.869 2.005 1.00 0.00 H new ATOM 0 HG LEU A 493 0.247 -3.315 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.988 -2.008 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.006 -3.748 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.447 -2.973 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.890 -1.230 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.344 -2.163 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.835 -2.401 2.520 1.00 0.00 H new ATOM 1041 N ALA A 494 1.286 -6.262 0.427 1.00 0.00 N ATOM 1042 CA ALA A 494 2.706 -6.277 0.099 1.00 0.00 C ATOM 1043 C ALA A 494 2.958 -6.944 -1.247 1.00 0.00 C ATOM 1044 O ALA A 494 3.772 -6.475 -2.041 1.00 0.00 O ATOM 1045 CB ALA A 494 3.482 -6.999 1.190 1.00 0.00 C ATOM 0 H ALA A 494 1.062 -6.668 1.336 1.00 0.00 H new ATOM 0 HA ALA A 494 3.048 -5.244 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.542 -7.006 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.338 -6.484 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.122 -8.024 1.275 1.00 0.00 H new ATOM 1051 N GLN A 495 2.263 -8.047 -1.487 1.00 0.00 N ATOM 1052 CA GLN A 495 2.411 -8.796 -2.722 1.00 0.00 C ATOM 1053 C GLN A 495 2.006 -7.972 -3.942 1.00 0.00 C ATOM 1054 O GLN A 495 2.645 -8.048 -4.992 1.00 0.00 O ATOM 1055 CB GLN A 495 1.580 -10.077 -2.654 1.00 0.00 C ATOM 1056 CG GLN A 495 0.244 -9.902 -1.969 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.916 -10.401 -2.808 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.893 -9.535 -3.033 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.932 -11.552 -3.247 1.00 0.00 N flip ATOM 0 H GLN A 495 1.586 -8.444 -0.835 1.00 0.00 H new ATOM 0 HA GLN A 495 3.466 -9.048 -2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.413 -10.445 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.151 -10.842 -2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.255 -10.436 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.094 -8.847 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.157 -12.184 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.720 -11.872 -3.809 1.00 0.00 H new ATOM 1068 N ILE A 496 0.932 -7.203 -3.808 1.00 0.00 N ATOM 1069 CA ILE A 496 0.434 -6.387 -4.909 1.00 0.00 C ATOM 1070 C ILE A 496 1.245 -5.103 -5.102 1.00 0.00 C ATOM 1071 O ILE A 496 1.514 -4.698 -6.233 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.052 -6.018 -4.699 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.947 -7.224 -4.983 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.451 -4.851 -5.590 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.197 -7.261 -4.130 1.00 0.00 C ATOM 0 H ILE A 496 0.389 -7.127 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 496 0.540 -6.995 -5.807 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.182 -5.719 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.234 -7.214 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.376 -8.138 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.501 -4.609 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.837 -3.983 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.302 -5.123 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.785 -8.143 -4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.918 -7.302 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.789 -6.365 -4.313 1.00 0.00 H new ATOM 1087 N LEU A 497 1.602 -4.454 -3.998 1.00 0.00 N ATOM 1088 CA LEU A 497 2.353 -3.195 -4.040 1.00 0.00 C ATOM 1089 C LEU A 497 3.404 -3.170 -5.156 1.00 0.00 C ATOM 1090 O LEU A 497 3.385 -2.288 -6.016 1.00 0.00 O ATOM 1091 CB LEU A 497 3.033 -2.942 -2.688 1.00 0.00 C ATOM 1092 CG LEU A 497 2.592 -1.676 -1.931 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.155 -0.568 -2.880 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.476 -2.009 -0.957 1.00 0.00 C ATOM 0 H LEU A 497 1.384 -4.778 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 497 1.633 -2.404 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.852 -3.805 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.109 -2.886 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 497 3.455 -1.308 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.852 0.306 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.985 -0.301 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.315 -0.915 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.173 -1.105 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.624 -2.412 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.829 -2.749 -0.239 1.00 0.00 H new ATOM 1106 N LYS A 498 4.333 -4.117 -5.120 1.00 0.00 N ATOM 1107 CA LYS A 498 5.409 -4.176 -6.110 1.00 0.00 C ATOM 1108 C LYS A 498 4.876 -4.320 -7.530 1.00 0.00 C ATOM 1109 O LYS A 498 5.554 -3.957 -8.492 1.00 0.00 O ATOM 1110 CB LYS A 498 6.366 -5.326 -5.795 1.00 0.00 C ATOM 1111 CG LYS A 498 5.704 -6.696 -5.799 1.00 0.00 C ATOM 1112 CD LYS A 498 5.191 -7.088 -4.419 1.00 0.00 C ATOM 1113 CE LYS A 498 6.275 -6.954 -3.352 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.118 -7.967 -2.274 1.00 0.00 N ATOM 0 H LYS A 498 4.366 -4.856 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 498 5.948 -3.230 -6.052 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.176 -5.322 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.817 -5.154 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.875 -6.696 -6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.419 -7.443 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.341 -6.459 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.831 -8.116 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.256 -7.065 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.237 -5.954 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.987 -8.004 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.316 -7.706 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.942 -8.900 -2.698 1.00 0.00 H new ATOM 1128 N ARG A 499 3.662 -4.830 -7.663 1.00 0.00 N ATOM 1129 CA ARG A 499 3.053 -4.992 -8.978 1.00 0.00 C ATOM 1130 C ARG A 499 2.849 -3.634 -9.642 1.00 0.00 C ATOM 1131 O ARG A 499 2.657 -3.542 -10.854 1.00 0.00 O ATOM 1132 CB ARG A 499 1.708 -5.715 -8.868 1.00 0.00 C ATOM 1133 CG ARG A 499 1.728 -6.910 -7.933 1.00 0.00 C ATOM 1134 CD ARG A 499 2.390 -8.115 -8.579 1.00 0.00 C ATOM 1135 NE ARG A 499 3.593 -8.530 -7.862 1.00 0.00 N ATOM 1136 CZ ARG A 499 4.542 -9.301 -8.390 1.00 0.00 C ATOM 1137 NH1 ARG A 499 4.431 -9.742 -9.637 1.00 0.00 N ATOM 1138 NH2 ARG A 499 5.604 -9.631 -7.669 1.00 0.00 N ATOM 0 H ARG A 499 3.080 -5.138 -6.884 1.00 0.00 H new ATOM 0 HA ARG A 499 3.728 -5.592 -9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 499 0.954 -5.008 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.403 -6.047 -9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 499 2.261 -6.648 -7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.708 -7.165 -7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 499 1.683 -8.944 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.647 -7.877 -9.611 1.00 0.00 H new ATOM 0 HE ARG A 499 3.713 -8.211 -6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.616 -9.491 -10.196 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.161 -10.332 -10.036 1.00 0.00 H new ATOM 0 HH21 ARG A 499 5.694 -9.295 -6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 499 6.331 -10.221 -8.073 1.00 0.00 H new ATOM 1152 N LEU A 500 2.871 -2.585 -8.827 1.00 0.00 N ATOM 1153 CA LEU A 500 2.671 -1.226 -9.307 1.00 0.00 C ATOM 1154 C LEU A 500 3.753 -0.790 -10.283 1.00 0.00 C ATOM 1155 O LEU A 500 3.463 -0.232 -11.341 1.00 0.00 O ATOM 1156 CB LEU A 500 2.636 -0.268 -8.117 1.00 0.00 C ATOM 1157 CG LEU A 500 1.418 -0.408 -7.198 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.397 0.711 -6.166 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.128 -0.417 -8.009 1.00 0.00 C ATOM 0 H LEU A 500 3.027 -2.654 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 500 1.722 -1.203 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.537 -0.419 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.670 0.754 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 500 1.494 -1.359 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.525 0.596 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.303 0.666 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.348 1.674 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.724 -0.517 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.042 0.516 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.142 -1.256 -8.705 1.00 0.00 H new ATOM 1171 N ASN A 501 4.998 -1.028 -9.913 1.00 0.00 N ATOM 1172 CA ASN A 501 6.128 -0.644 -10.743 1.00 0.00 C ATOM 1173 C ASN A 501 6.064 0.852 -11.064 1.00 0.00 C ATOM 1174 O ASN A 501 6.088 1.253 -12.228 1.00 0.00 O ATOM 1175 CB ASN A 501 6.137 -1.476 -12.025 1.00 0.00 C ATOM 1176 CG ASN A 501 7.241 -1.082 -12.980 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.043 -0.267 -13.882 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.412 -1.671 -12.789 1.00 0.00 N ATOM 0 H ASN A 501 5.254 -1.488 -9.039 1.00 0.00 H new ATOM 0 HA ASN A 501 7.053 -0.836 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.247 -2.529 -11.767 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.175 -1.370 -12.527 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.197 -1.456 -13.403 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.528 -2.340 -12.028 1.00 0.00 H new ATOM 1185 N PRO A 502 5.974 1.700 -10.022 1.00 0.00 N ATOM 1186 CA PRO A 502 5.898 3.142 -10.149 1.00 0.00 C ATOM 1187 C PRO A 502 7.234 3.803 -9.857 1.00 0.00 C ATOM 1188 O PRO A 502 8.279 3.153 -9.873 1.00 0.00 O ATOM 1189 CB PRO A 502 4.893 3.489 -9.048 1.00 0.00 C ATOM 1190 CG PRO A 502 5.027 2.398 -8.020 1.00 0.00 C ATOM 1191 CD PRO A 502 5.933 1.340 -8.605 1.00 0.00 C ATOM 0 HA PRO A 502 5.622 3.475 -11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.109 4.465 -8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.878 3.533 -9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.444 2.792 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.051 1.977 -7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.925 1.361 -8.153 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.535 0.337 -8.453 1.00 0.00 H new ATOM 1199 N GLU A 503 7.189 5.091 -9.564 1.00 0.00 N ATOM 1200 CA GLU A 503 8.377 5.841 -9.237 1.00 0.00 C ATOM 1201 C GLU A 503 8.248 6.413 -7.834 1.00 0.00 C ATOM 1202 O GLU A 503 7.170 6.855 -7.436 1.00 0.00 O ATOM 1203 CB GLU A 503 8.599 6.952 -10.257 1.00 0.00 C ATOM 1204 CG GLU A 503 9.746 6.670 -11.212 1.00 0.00 C ATOM 1205 CD GLU A 503 10.958 7.541 -10.942 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.275 7.767 -9.755 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.590 7.997 -11.918 1.00 0.00 O ATOM 0 H GLU A 503 6.329 5.639 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 503 9.242 5.178 -9.267 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.684 7.096 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.795 7.886 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.032 5.621 -11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.409 6.830 -12.236 1.00 0.00 H new ATOM 1214 N ARG A 504 9.333 6.386 -7.075 1.00 0.00 N ATOM 1215 CA ARG A 504 9.301 6.887 -5.711 1.00 0.00 C ATOM 1216 C ARG A 504 9.391 8.404 -5.671 1.00 0.00 C ATOM 1217 O ARG A 504 10.236 9.015 -6.326 1.00 0.00 O ATOM 1218 CB ARG A 504 10.423 6.273 -4.882 1.00 0.00 C ATOM 1219 CG ARG A 504 11.814 6.617 -5.387 1.00 0.00 C ATOM 1220 CD ARG A 504 12.866 5.700 -4.786 1.00 0.00 C ATOM 1221 NE ARG A 504 14.211 6.027 -5.253 1.00 0.00 N ATOM 1222 CZ ARG A 504 15.325 5.581 -4.677 1.00 0.00 C ATOM 1223 NH1 ARG A 504 15.260 4.790 -3.613 1.00 0.00 N ATOM 1224 NH2 ARG A 504 16.508 5.927 -5.166 1.00 0.00 N ATOM 0 H ARG A 504 10.238 6.026 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 504 8.344 6.594 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.327 6.611 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.306 5.189 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 504 11.838 6.537 -6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.047 7.652 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.832 5.774 -3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.635 4.666 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 504 14.302 6.633 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.353 4.521 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 504 16.117 4.451 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.564 6.535 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 504 17.362 5.585 -4.725 1.00 0.00 H new ATOM 1238 N LYS A 505 8.502 8.995 -4.887 1.00 0.00 N ATOM 1239 CA LYS A 505 8.442 10.444 -4.724 1.00 0.00 C ATOM 1240 C LYS A 505 7.779 10.788 -3.396 1.00 0.00 C ATOM 1241 O LYS A 505 6.709 10.269 -3.079 1.00 0.00 O ATOM 1242 CB LYS A 505 7.664 11.095 -5.873 1.00 0.00 C ATOM 1243 CG LYS A 505 7.749 10.340 -7.191 1.00 0.00 C ATOM 1244 CD LYS A 505 6.775 10.898 -8.215 1.00 0.00 C ATOM 1245 CE LYS A 505 5.334 10.613 -7.824 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.375 11.067 -8.870 1.00 0.00 N ATOM 0 H LYS A 505 7.802 8.487 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 505 9.461 10.831 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.617 11.182 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.039 12.108 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.765 10.401 -7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.536 9.285 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.922 11.974 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.982 10.461 -9.192 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.208 9.543 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.108 11.113 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.473 10.561 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.213 12.090 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.768 10.867 -9.812 1.00 0.00 H new ATOM 1260 N MET A 506 8.414 11.652 -2.618 1.00 0.00 N ATOM 1261 CA MET A 506 7.865 12.038 -1.325 1.00 0.00 C ATOM 1262 C MET A 506 6.715 13.025 -1.478 1.00 0.00 C ATOM 1263 O MET A 506 6.916 14.174 -1.871 1.00 0.00 O ATOM 1264 CB MET A 506 8.949 12.644 -0.433 1.00 0.00 C ATOM 1265 CG MET A 506 9.735 13.764 -1.092 1.00 0.00 C ATOM 1266 SD MET A 506 10.110 15.115 0.045 1.00 0.00 S ATOM 1267 CE MET A 506 10.447 14.212 1.556 1.00 0.00 C ATOM 0 H MET A 506 9.301 12.096 -2.855 1.00 0.00 H new ATOM 0 HA MET A 506 7.481 11.133 -0.855 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.485 13.026 0.477 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.640 11.857 -0.132 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.666 13.362 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.167 14.153 -1.937 1.00 0.00 H new ATOM 0 HE1 MET A 506 10.798 14.903 2.322 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.535 13.723 1.898 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.213 13.460 1.367 1.00 0.00 H new ATOM 1277 N ILE A 507 5.512 12.575 -1.139 1.00 0.00 N ATOM 1278 CA ILE A 507 4.333 13.424 -1.210 1.00 0.00 C ATOM 1279 C ILE A 507 4.139 14.134 0.127 1.00 0.00 C ATOM 1280 O ILE A 507 4.035 13.490 1.170 1.00 0.00 O ATOM 1281 CB ILE A 507 3.055 12.610 -1.561 1.00 0.00 C ATOM 1282 CG1 ILE A 507 3.039 12.164 -3.037 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.806 13.423 -1.255 1.00 0.00 C ATOM 1284 CD1 ILE A 507 4.035 12.885 -3.923 1.00 0.00 C ATOM 0 H ILE A 507 5.330 11.626 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 507 4.490 14.153 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 507 3.066 11.713 -0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.240 11.094 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 507 2.037 12.317 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.921 12.839 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.786 13.674 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.815 14.340 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.954 12.508 -4.943 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.823 13.954 -3.913 1.00 0.00 H new ATOM 0 HD13 ILE A 507 5.045 12.712 -3.551 1.00 0.00 H new ATOM 1296 N ASN A 508 4.111 15.463 0.087 1.00 0.00 N ATOM 1297 CA ASN A 508 3.948 16.277 1.291 1.00 0.00 C ATOM 1298 C ASN A 508 4.909 15.837 2.398 1.00 0.00 C ATOM 1299 O ASN A 508 4.558 15.846 3.578 1.00 0.00 O ATOM 1300 CB ASN A 508 2.497 16.231 1.790 1.00 0.00 C ATOM 1301 CG ASN A 508 2.087 14.867 2.315 1.00 0.00 C ATOM 1302 OD1 ASN A 508 2.781 14.268 3.137 1.00 0.00 O ATOM 1303 ND2 ASN A 508 0.949 14.371 1.845 1.00 0.00 N ATOM 0 H ASN A 508 4.200 16.004 -0.773 1.00 0.00 H new ATOM 0 HA ASN A 508 4.190 17.306 1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.368 16.971 2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 508 1.831 16.515 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 508 0.619 13.460 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.404 14.901 1.164 1.00 0.00 H new ATOM 1310 N ASP A 509 6.129 15.461 2.005 1.00 0.00 N ATOM 1311 CA ASP A 509 7.156 15.024 2.954 1.00 0.00 C ATOM 1312 C ASP A 509 6.947 13.571 3.378 1.00 0.00 C ATOM 1313 O ASP A 509 7.562 13.102 4.335 1.00 0.00 O ATOM 1314 CB ASP A 509 7.176 15.930 4.190 1.00 0.00 C ATOM 1315 CG ASP A 509 8.508 15.889 4.913 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.543 16.151 4.267 1.00 0.00 O ATOM 1317 OD2 ASP A 509 8.514 15.597 6.128 1.00 0.00 O ATOM 0 H ASP A 509 6.430 15.451 1.031 1.00 0.00 H new ATOM 0 HA ASP A 509 8.117 15.096 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.960 16.955 3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.384 15.625 4.874 1.00 0.00 H new ATOM 1322 N LYS A 510 6.083 12.861 2.658 1.00 0.00 N ATOM 1323 CA LYS A 510 5.804 11.463 2.961 1.00 0.00 C ATOM 1324 C LYS A 510 6.240 10.568 1.809 1.00 0.00 C ATOM 1325 O LYS A 510 5.918 10.836 0.653 1.00 0.00 O ATOM 1326 CB LYS A 510 4.313 11.264 3.227 1.00 0.00 C ATOM 1327 CG LYS A 510 3.993 9.938 3.896 1.00 0.00 C ATOM 1328 CD LYS A 510 3.915 10.079 5.409 1.00 0.00 C ATOM 1329 CE LYS A 510 5.181 10.699 5.980 1.00 0.00 C ATOM 1330 NZ LYS A 510 6.356 9.793 5.841 1.00 0.00 N ATOM 0 H LYS A 510 5.565 13.232 1.861 1.00 0.00 H new ATOM 0 HA LYS A 510 6.367 11.191 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 510 3.952 12.077 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.771 11.327 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.045 9.557 3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.757 9.205 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.056 10.696 5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 510 3.755 9.099 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 510 5.386 11.640 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.027 10.934 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.226 10.316 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 6.255 8.990 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 6.408 9.440 4.864 1.00 0.00 H new ATOM 1344 N MET A 511 6.972 9.502 2.119 1.00 0.00 N ATOM 1345 CA MET A 511 7.434 8.591 1.080 1.00 0.00 C ATOM 1346 C MET A 511 6.251 7.947 0.365 1.00 0.00 C ATOM 1347 O MET A 511 5.559 7.094 0.922 1.00 0.00 O ATOM 1348 CB MET A 511 8.338 7.512 1.679 1.00 0.00 C ATOM 1349 CG MET A 511 9.591 7.245 0.858 1.00 0.00 C ATOM 1350 SD MET A 511 9.356 5.943 -0.366 1.00 0.00 S ATOM 1351 CE MET A 511 8.476 6.833 -1.647 1.00 0.00 C ATOM 0 H MET A 511 7.254 9.251 3.067 1.00 0.00 H new ATOM 0 HA MET A 511 8.008 9.165 0.353 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.630 7.811 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 511 7.771 6.586 1.774 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.892 8.163 0.353 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.406 6.967 1.526 1.00 0.00 H new ATOM 0 HE1 MET A 511 8.891 6.573 -2.621 1.00 0.00 H new ATOM 0 HE2 MET A 511 7.420 6.563 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.581 7.905 -1.482 1.00 0.00 H new ATOM 1361 N HIS A 512 6.033 8.365 -0.874 1.00 0.00 N ATOM 1362 CA HIS A 512 4.950 7.848 -1.690 1.00 0.00 C ATOM 1363 C HIS A 512 5.484 7.268 -2.999 1.00 0.00 C ATOM 1364 O HIS A 512 6.209 7.940 -3.732 1.00 0.00 O ATOM 1365 CB HIS A 512 3.952 8.962 -2.010 1.00 0.00 C ATOM 1366 CG HIS A 512 2.944 9.225 -0.935 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.259 9.809 0.275 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.607 9.008 -0.906 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.160 9.939 0.998 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.145 9.461 0.304 1.00 0.00 N ATOM 0 H HIS A 512 6.603 9.072 -1.339 1.00 0.00 H new ATOM 0 HA HIS A 512 4.454 7.058 -1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.504 9.881 -2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.425 8.706 -2.929 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.194 10.096 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.014 8.561 -1.690 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.103 10.364 1.989 1.00 0.00 H new ATOM 1379 N PHE A 513 5.108 6.035 -3.303 1.00 0.00 N ATOM 1380 CA PHE A 513 5.534 5.391 -4.536 1.00 0.00 C ATOM 1381 C PHE A 513 4.377 5.360 -5.529 1.00 0.00 C ATOM 1382 O PHE A 513 3.300 4.859 -5.214 1.00 0.00 O ATOM 1383 CB PHE A 513 6.035 3.971 -4.256 1.00 0.00 C ATOM 1384 CG PHE A 513 5.825 3.510 -2.839 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.583 3.072 -2.413 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.876 3.518 -1.936 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.391 2.649 -1.111 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.691 3.097 -0.633 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.447 2.661 -0.220 1.00 0.00 C ATOM 0 H PHE A 513 4.508 5.460 -2.712 1.00 0.00 H new ATOM 0 HA PHE A 513 6.356 5.964 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.529 3.280 -4.930 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.099 3.921 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.754 3.061 -3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.851 3.857 -2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.417 2.310 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.518 3.109 0.062 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.300 2.330 0.798 1.00 0.00 H new ATOM 1399 N SER A 514 4.587 5.917 -6.721 1.00 0.00 N ATOM 1400 CA SER A 514 3.529 5.957 -7.722 1.00 0.00 C ATOM 1401 C SER A 514 3.990 6.599 -9.024 1.00 0.00 C ATOM 1402 O SER A 514 5.055 7.212 -9.095 1.00 0.00 O ATOM 1403 CB SER A 514 2.329 6.722 -7.176 1.00 0.00 C ATOM 1404 OG SER A 514 1.140 5.961 -7.302 1.00 0.00 O ATOM 0 H SER A 514 5.468 6.341 -7.012 1.00 0.00 H new ATOM 0 HA SER A 514 3.251 4.926 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.497 6.969 -6.128 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.220 7.665 -7.712 1.00 0.00 H new ATOM 0 HG SER A 514 0.848 5.661 -6.416 1.00 0.00 H new ATOM 1410 N LEU A 515 3.149 6.470 -10.043 1.00 0.00 N ATOM 1411 CA LEU A 515 3.411 7.043 -11.344 1.00 0.00 C ATOM 1412 C LEU A 515 2.274 7.966 -11.723 1.00 0.00 C ATOM 1413 O LEU A 515 1.228 7.974 -11.073 1.00 0.00 O ATOM 1414 CB LEU A 515 3.617 5.965 -12.420 1.00 0.00 C ATOM 1415 CG LEU A 515 2.382 5.148 -12.803 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.786 4.465 -11.590 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.353 6.041 -13.464 1.00 0.00 C ATOM 0 H LEU A 515 2.266 5.963 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 515 4.340 7.610 -11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 515 4.001 6.447 -13.319 1.00 0.00 H new ATOM 0 HB3 LEU A 515 4.388 5.278 -12.073 1.00 0.00 H new ATOM 0 HG LEU A 515 2.687 4.376 -13.509 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.909 3.891 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 515 2.525 3.796 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 515 1.494 5.216 -10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.477 5.450 -13.733 1.00 0.00 H new ATOM 0 HD22 LEU A 515 1.059 6.831 -12.773 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.781 6.486 -14.363 1.00 0.00 H new ATOM 1429 N LYS A 516 2.469 8.736 -12.776 1.00 0.00 N ATOM 1430 CA LYS A 516 1.439 9.649 -13.225 1.00 0.00 C ATOM 1431 C LYS A 516 1.182 9.497 -14.717 1.00 0.00 C ATOM 1432 O LYS A 516 1.981 9.925 -15.548 1.00 0.00 O ATOM 1433 CB LYS A 516 1.790 11.093 -12.879 1.00 0.00 C ATOM 1434 CG LYS A 516 3.142 11.237 -12.226 1.00 0.00 C ATOM 1435 CD LYS A 516 4.252 10.951 -13.216 1.00 0.00 C ATOM 1436 CE LYS A 516 5.433 10.262 -12.551 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.529 11.220 -12.236 1.00 0.00 N ATOM 0 H LYS A 516 3.324 8.747 -13.332 1.00 0.00 H new ATOM 0 HA LYS A 516 0.520 9.392 -12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.767 11.693 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 516 1.027 11.496 -12.212 1.00 0.00 H new ATOM 0 HG2 LYS A 516 3.254 12.246 -11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 516 3.217 10.553 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.870 10.323 -14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.584 11.884 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.101 9.776 -11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 516 5.813 9.479 -13.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.315 10.711 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.864 11.665 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.174 11.953 -11.590 1.00 0.00 H new ATOM 1451 N GLU A 517 0.052 8.880 -15.043 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.332 8.660 -16.424 1.00 0.00 C ATOM 1453 C GLU A 517 -0.506 9.985 -17.161 1.00 0.00 C ATOM 1454 O GLU A 517 -0.071 10.072 -18.329 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.631 7.858 -16.474 1.00 0.00 C ATOM 1456 CG GLU A 517 -2.677 8.316 -15.471 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.093 8.021 -15.928 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.262 7.166 -16.820 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.032 8.647 -15.392 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.077 10.922 -16.565 1.00 0.00 O ATOM 0 H GLU A 517 -0.616 8.522 -14.360 1.00 0.00 H new ATOM 0 HA GLU A 517 0.461 8.099 -16.919 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.050 7.926 -17.478 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -1.405 6.807 -16.294 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -2.498 7.824 -14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.569 9.388 -15.303 1.00 0.00 H new TER 1467 GLU A 517