USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 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 Set 1.1: A 470 THR OG1 : rot 110:sc= -0.149 USER MOD Set 1.2: A 471 LYS NZ :NH3+ 171:sc= -0.39 (180deg=-0.59) USER MOD Set 2.1: A 469 THR OG1 : rot 170:sc= -2.31 USER MOD Set 2.2: A 512 HIS :FLIP no HD1:sc= -11.7! C(o=-15!,f=-14!) USER MOD Set 3.1: A 462 TYR OH : rot 179:sc= 1.76 USER MOD Set 3.2: A 476 LYS NZ :NH3+ -114:sc= 1.62 (180deg=-0.623) USER MOD Single : A 453 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 455 THR OG1 : rot -83:sc= -1.57 USER MOD Single : A 464 THR OG1 : rot -68:sc= -0.196 USER MOD Single : A 466 LYS NZ :NH3+ -133:sc= -0.0566 (180deg=-0.268) USER MOD Single : A 468 MET CE :methyl -110:sc= -11.9! (180deg=-19.6!) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc=-2.61e-06 X(o=-2.6e-06,f=0) USER MOD Single : A 479 THR OG1 : rot -33:sc= 0.458 USER MOD Single : A 480 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0129) USER MOD Single : A 481 LYS NZ :NH3+ 166:sc= 0.265 (180deg=0.193) USER MOD Single : A 482 THR OG1 : rot -101:sc= 1.29 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 142:sc= 0.268 USER MOD Single : A 488 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 489 THR OG1 : rot 87:sc= 0.0545 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN :FLIP amide:sc= -2.7 F(o=-4.4!,f=-2.7) USER MOD Single : A 498 LYS NZ :NH3+ 167:sc= -4.3! (180deg=-5.02!) USER MOD Single : A 501 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.7!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl -156:sc= -2.77! (180deg=-3.09!) USER MOD Single : A 508 ASN :FLIP amide:sc= 0.929 F(o=-0.49,f=0.93) USER MOD Single : A 510 LYS NZ :NH3+ 137:sc= -0.7 (180deg=-1.08) USER MOD Single : A 511 MET CE :methyl 138:sc= -6.54 (180deg=-13.4!) USER MOD Single : A 514 SER OG : rot 107:sc= -4.95! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HE2:sc= -7.35! C(o=-11!,f=-7.4!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 -3.777 -7.758 23.449 1.00 0.00 N ATOM 2 CA GLU B 582 -3.273 -6.393 23.749 1.00 0.00 C ATOM 3 C GLU B 582 -2.047 -6.060 22.906 1.00 0.00 C ATOM 4 O GLU B 582 -2.012 -5.040 22.219 1.00 0.00 O ATOM 5 CB GLU B 582 -2.925 -6.320 25.238 1.00 0.00 C ATOM 6 CG GLU B 582 -2.399 -4.962 25.673 1.00 0.00 C ATOM 7 CD GLU B 582 -0.915 -4.800 25.408 1.00 0.00 C ATOM 8 OE1 GLU B 582 -0.152 -5.744 25.706 1.00 0.00 O ATOM 9 OE2 GLU B 582 -0.514 -3.730 24.905 1.00 0.00 O ATOM 0 HA GLU B 582 -4.046 -5.664 23.506 1.00 0.00 H new ATOM 0 HB2 GLU B 582 -3.813 -6.561 25.823 1.00 0.00 H new ATOM 0 HB3 GLU B 582 -2.178 -7.080 25.466 1.00 0.00 H new ATOM 0 HG2 GLU B 582 -2.946 -4.179 25.147 1.00 0.00 H new ATOM 0 HG3 GLU B 582 -2.591 -4.826 26.737 1.00 0.00 H new ATOM 18 N ASP B 583 -1.041 -6.928 22.964 1.00 0.00 N ATOM 19 CA ASP B 583 0.188 -6.726 22.204 1.00 0.00 C ATOM 20 C ASP B 583 -0.098 -6.685 20.707 1.00 0.00 C ATOM 21 O ASP B 583 -0.010 -7.704 20.021 1.00 0.00 O ATOM 22 CB ASP B 583 1.192 -7.837 22.515 1.00 0.00 C ATOM 23 CG ASP B 583 0.631 -9.218 22.232 1.00 0.00 C ATOM 24 OD1 ASP B 583 -0.062 -9.769 23.112 1.00 0.00 O ATOM 25 OD2 ASP B 583 0.887 -9.747 21.130 1.00 0.00 O ATOM 0 H ASP B 583 -1.053 -7.777 23.529 1.00 0.00 H new ATOM 0 HA ASP B 583 0.615 -5.767 22.499 1.00 0.00 H new ATOM 0 HB2 ASP B 583 2.093 -7.685 21.921 1.00 0.00 H new ATOM 0 HB3 ASP B 583 1.486 -7.775 23.563 1.00 0.00 H new HETATM 30 N TPO B 584 -0.441 -5.503 20.207 1.00 0.00 N HETATM 31 CA TPO B 584 -0.739 -5.331 18.790 1.00 0.00 C HETATM 32 CB TPO B 584 -1.800 -4.241 18.596 1.00 0.00 C HETATM 33 CG2 TPO B 584 -1.996 -3.839 17.145 1.00 0.00 C HETATM 34 OG1 TPO B 584 -3.046 -4.702 19.123 1.00 0.00 O HETATM 35 P TPO B 584 -3.826 -3.418 19.707 1.00 0.00 P HETATM 36 O1P TPO B 584 -5.269 -3.725 19.816 1.00 0.00 O HETATM 37 O2P TPO B 584 -3.245 -3.056 21.164 1.00 0.00 O HETATM 38 O3P TPO B 584 -3.617 -2.164 18.720 1.00 0.00 O HETATM 39 C TPO B 584 0.524 -4.960 18.018 1.00 0.00 C HETATM 40 O TPO B 584 0.686 -3.816 17.590 1.00 0.00 O HETATM 0 HG23 TPO B 584 -1.058 -3.456 16.744 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -2.311 -4.707 16.566 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -2.760 -3.065 17.082 1.00 0.00 H new HETATM 0 HB TPO B 584 -1.445 -3.357 19.126 1.00 0.00 H new HETATM 0 HA TPO B 584 -1.123 -6.276 18.406 1.00 0.00 H new HETATM 0 H TPO B 584 -0.922 -4.932 20.902 1.00 0.00 H new ATOM 47 N ASP B 585 1.417 -5.927 17.833 1.00 0.00 N ATOM 48 CA ASP B 585 2.646 -5.673 17.104 1.00 0.00 C ATOM 49 C ASP B 585 2.454 -5.949 15.615 1.00 0.00 C ATOM 50 O ASP B 585 3.263 -6.631 14.987 1.00 0.00 O ATOM 51 CB ASP B 585 3.782 -6.537 17.657 1.00 0.00 C ATOM 52 CG ASP B 585 5.110 -6.241 16.990 1.00 0.00 C ATOM 53 OD1 ASP B 585 5.748 -5.234 17.361 1.00 0.00 O ATOM 54 OD2 ASP B 585 5.512 -7.016 16.098 1.00 0.00 O ATOM 0 H ASP B 585 1.311 -6.882 18.175 1.00 0.00 H new ATOM 0 HA ASP B 585 2.909 -4.623 17.232 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.872 -6.370 18.730 1.00 0.00 H new ATOM 0 HB3 ASP B 585 3.535 -7.590 17.518 1.00 0.00 H new ATOM 59 N GLU B 586 1.383 -5.394 15.056 1.00 0.00 N ATOM 60 CA GLU B 586 1.084 -5.553 13.644 1.00 0.00 C ATOM 61 C GLU B 586 1.804 -4.491 12.828 1.00 0.00 C ATOM 62 O GLU B 586 2.432 -4.785 11.816 1.00 0.00 O ATOM 63 CB GLU B 586 -0.426 -5.473 13.401 1.00 0.00 C ATOM 64 CG GLU B 586 -1.047 -4.153 13.832 1.00 0.00 C ATOM 65 CD GLU B 586 -2.554 -4.139 13.673 1.00 0.00 C ATOM 66 OE1 GLU B 586 -3.223 -5.009 14.271 1.00 0.00 O ATOM 67 OE2 GLU B 586 -3.067 -3.258 12.951 1.00 0.00 O ATOM 0 H GLU B 586 0.706 -4.827 15.567 1.00 0.00 H new ATOM 0 HA GLU B 586 1.434 -6.536 13.327 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -0.623 -5.627 12.340 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -0.915 -6.286 13.937 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -0.793 -3.960 14.874 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.616 -3.343 13.243 1.00 0.00 H new ATOM 74 N ASP B 587 1.704 -3.252 13.286 1.00 0.00 N ATOM 75 CA ASP B 587 2.335 -2.127 12.610 1.00 0.00 C ATOM 76 C ASP B 587 3.826 -2.372 12.385 1.00 0.00 C ATOM 77 O ASP B 587 4.438 -1.769 11.504 1.00 0.00 O ATOM 78 CB ASP B 587 2.114 -0.846 13.419 1.00 0.00 C ATOM 79 CG ASP B 587 3.045 -0.733 14.613 1.00 0.00 C ATOM 80 OD1 ASP B 587 4.248 -0.469 14.406 1.00 0.00 O ATOM 81 OD2 ASP B 587 2.570 -0.909 15.756 1.00 0.00 O ATOM 0 H ASP B 587 1.188 -2.999 14.129 1.00 0.00 H new ATOM 0 HA ASP B 587 1.873 -2.015 11.629 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.258 0.017 12.769 1.00 0.00 H new ATOM 0 HB3 ASP B 587 1.081 -0.815 13.766 1.00 0.00 H new ATOM 86 N ASP B 588 4.405 -3.258 13.184 1.00 0.00 N ATOM 87 CA ASP B 588 5.820 -3.579 13.066 1.00 0.00 C ATOM 88 C ASP B 588 6.162 -4.079 11.669 1.00 0.00 C ATOM 89 O ASP B 588 7.201 -3.729 11.109 1.00 0.00 O ATOM 90 CB ASP B 588 6.209 -4.621 14.102 1.00 0.00 C ATOM 91 CG ASP B 588 7.684 -4.578 14.445 1.00 0.00 C ATOM 92 OD1 ASP B 588 8.136 -3.553 15.000 1.00 0.00 O ATOM 93 OD2 ASP B 588 8.390 -5.567 14.159 1.00 0.00 O ATOM 0 H ASP B 588 3.916 -3.767 13.921 1.00 0.00 H new ATOM 0 HA ASP B 588 6.386 -2.665 13.244 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.624 -4.463 15.008 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.955 -5.613 13.728 1.00 0.00 H new ATOM 98 N HIS B 589 5.285 -4.902 11.115 1.00 0.00 N ATOM 99 CA HIS B 589 5.486 -5.461 9.793 1.00 0.00 C ATOM 100 C HIS B 589 5.103 -4.471 8.697 1.00 0.00 C ATOM 101 O HIS B 589 5.559 -4.587 7.560 1.00 0.00 O ATOM 102 CB HIS B 589 4.678 -6.747 9.649 1.00 0.00 C ATOM 103 CG HIS B 589 3.214 -6.588 9.919 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.303 -5.721 9.411 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.522 -7.394 10.799 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.093 -6.021 9.988 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.252 -7.033 10.821 1.00 0.00 N flip ATOM 0 H HIS B 589 4.420 -5.198 11.568 1.00 0.00 H new ATOM 0 HA HIS B 589 6.547 -5.682 9.678 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.809 -7.134 8.638 1.00 0.00 H new ATOM 0 HB3 HIS B 589 5.082 -7.495 10.331 1.00 0.00 H new ATOM 0 HD1 HIS B 589 2.483 -4.984 8.729 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.952 -8.196 11.380 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.161 -5.511 9.792 1.00 0.00 H new ATOM 116 N LEU B 590 4.265 -3.498 9.038 1.00 0.00 N ATOM 117 CA LEU B 590 3.827 -2.494 8.071 1.00 0.00 C ATOM 118 C LEU B 590 5.026 -1.830 7.402 1.00 0.00 C ATOM 119 O LEU B 590 4.955 -1.412 6.249 1.00 0.00 O ATOM 120 CB LEU B 590 2.953 -1.437 8.751 1.00 0.00 C ATOM 121 CG LEU B 590 2.752 -0.143 7.956 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.848 -0.382 6.754 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.186 0.946 8.854 1.00 0.00 C ATOM 0 H LEU B 590 3.876 -3.382 9.974 1.00 0.00 H new ATOM 0 HA LEU B 590 3.236 -2.997 7.306 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.976 -1.874 8.955 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.398 -1.187 9.714 1.00 0.00 H new ATOM 0 HG LEU B 590 3.721 0.189 7.584 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.719 0.550 6.204 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.300 -1.129 6.101 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.876 -0.739 7.095 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.048 1.860 8.276 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.226 0.623 9.256 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.878 1.137 9.675 1.00 0.00 H new ATOM 135 N ILE B 591 6.124 -1.727 8.133 1.00 0.00 N ATOM 136 CA ILE B 591 7.328 -1.116 7.604 1.00 0.00 C ATOM 137 C ILE B 591 8.168 -2.140 6.837 1.00 0.00 C ATOM 138 O ILE B 591 8.892 -1.790 5.905 1.00 0.00 O ATOM 139 CB ILE B 591 8.172 -0.473 8.724 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.382 0.656 9.392 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.490 0.057 8.173 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.130 1.329 10.524 1.00 0.00 C ATOM 0 H ILE B 591 6.204 -2.059 9.094 1.00 0.00 H new ATOM 0 HA ILE B 591 7.018 -0.330 6.916 1.00 0.00 H new ATOM 0 HB ILE B 591 8.398 -1.237 9.468 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.126 1.403 8.641 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.444 0.255 9.775 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.068 0.506 8.981 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.057 -0.764 7.734 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.289 0.809 7.410 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.511 2.118 10.951 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.362 0.594 11.294 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.056 1.760 10.143 1.00 0.00 H new ATOM 154 N TYR B 592 8.073 -3.406 7.246 1.00 0.00 N ATOM 155 CA TYR B 592 8.829 -4.483 6.611 1.00 0.00 C ATOM 156 C TYR B 592 8.410 -4.690 5.161 1.00 0.00 C ATOM 157 O TYR B 592 9.245 -4.954 4.297 1.00 0.00 O ATOM 158 CB TYR B 592 8.682 -5.787 7.419 1.00 0.00 C ATOM 159 CG TYR B 592 8.241 -6.981 6.599 1.00 0.00 C ATOM 160 CD1 TYR B 592 6.968 -7.031 6.051 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.103 -8.042 6.353 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.563 -8.097 5.284 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.703 -9.122 5.587 1.00 0.00 C ATOM 164 CZ TYR B 592 7.431 -9.144 5.054 1.00 0.00 C ATOM 165 OH TYR B 592 7.027 -10.213 4.287 1.00 0.00 O ATOM 0 H TYR B 592 7.478 -3.710 8.017 1.00 0.00 H new ATOM 0 HA TYR B 592 9.880 -4.193 6.603 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.637 -6.018 7.891 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.961 -5.625 8.220 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.282 -6.217 6.230 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.101 -8.023 6.766 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.569 -8.115 4.863 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.382 -9.942 5.407 1.00 0.00 H new ATOM 0 HH TYR B 592 7.757 -10.863 4.222 1.00 0.00 H new ATOM 175 N LEU B 593 7.123 -4.576 4.899 1.00 0.00 N ATOM 176 CA LEU B 593 6.616 -4.757 3.547 1.00 0.00 C ATOM 177 C LEU B 593 6.874 -3.503 2.722 1.00 0.00 C ATOM 178 O LEU B 593 6.840 -3.531 1.493 1.00 0.00 O ATOM 179 CB LEU B 593 5.126 -5.147 3.559 1.00 0.00 C ATOM 180 CG LEU B 593 4.112 -4.026 3.300 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.366 -2.858 4.225 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.134 -3.586 1.842 1.00 0.00 C ATOM 0 H LEU B 593 6.411 -4.360 5.597 1.00 0.00 H new ATOM 0 HA LEU B 593 7.150 -5.583 3.077 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.973 -5.923 2.809 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.900 -5.592 4.528 1.00 0.00 H new ATOM 0 HG LEU B 593 3.116 -4.416 3.508 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.637 -2.072 4.027 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.273 -3.187 5.260 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.371 -2.472 4.056 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.404 -2.791 1.691 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.128 -3.219 1.588 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.885 -4.433 1.203 1.00 0.00 H new ATOM 194 N GLU B 594 7.136 -2.401 3.408 1.00 0.00 N ATOM 195 CA GLU B 594 7.404 -1.145 2.742 1.00 0.00 C ATOM 196 C GLU B 594 8.660 -1.245 1.878 1.00 0.00 C ATOM 197 O GLU B 594 8.779 -0.566 0.859 1.00 0.00 O ATOM 198 CB GLU B 594 7.542 -0.019 3.781 1.00 0.00 C ATOM 199 CG GLU B 594 8.968 0.467 4.002 1.00 0.00 C ATOM 200 CD GLU B 594 9.057 1.555 5.054 1.00 0.00 C ATOM 201 OE1 GLU B 594 8.069 1.748 5.794 1.00 0.00 O ATOM 202 OE2 GLU B 594 10.115 2.214 5.140 1.00 0.00 O ATOM 0 H GLU B 594 7.168 -2.356 4.426 1.00 0.00 H new ATOM 0 HA GLU B 594 6.566 -0.912 2.085 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.929 0.825 3.466 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.139 -0.368 4.732 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.592 -0.375 4.302 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.370 0.843 3.061 1.00 0.00 H new ATOM 209 N GLU B 595 9.598 -2.082 2.305 1.00 0.00 N ATOM 210 CA GLU B 595 10.852 -2.254 1.581 1.00 0.00 C ATOM 211 C GLU B 595 10.717 -3.223 0.411 1.00 0.00 C ATOM 212 O GLU B 595 11.142 -2.924 -0.704 1.00 0.00 O ATOM 213 CB GLU B 595 11.965 -2.708 2.530 1.00 0.00 C ATOM 214 CG GLU B 595 11.601 -3.904 3.391 1.00 0.00 C ATOM 215 CD GLU B 595 12.797 -4.479 4.122 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.491 -3.712 4.823 1.00 0.00 O ATOM 217 OE2 GLU B 595 13.041 -5.698 3.995 1.00 0.00 O ATOM 0 H GLU B 595 9.515 -2.651 3.147 1.00 0.00 H new ATOM 0 HA GLU B 595 11.117 -1.282 1.164 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.850 -2.953 1.943 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.235 -1.876 3.180 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.844 -3.608 4.117 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.157 -4.677 2.764 1.00 0.00 H new ATOM 224 N ILE B 596 10.122 -4.378 0.666 1.00 0.00 N ATOM 225 CA ILE B 596 9.930 -5.388 -0.382 1.00 0.00 C ATOM 226 C ILE B 596 9.250 -4.790 -1.605 1.00 0.00 C ATOM 227 O ILE B 596 9.410 -5.275 -2.725 1.00 0.00 O ATOM 228 CB ILE B 596 9.088 -6.586 0.108 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.849 -6.106 0.857 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.913 -7.501 0.994 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.648 -5.904 -0.033 1.00 0.00 C ATOM 0 H ILE B 596 9.763 -4.645 1.582 1.00 0.00 H new ATOM 0 HA ILE B 596 10.927 -5.741 -0.645 1.00 0.00 H new ATOM 0 HB ILE B 596 8.768 -7.150 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.599 -6.831 1.632 1.00 0.00 H new ATOM 0 HG13 ILE B 596 8.080 -5.167 1.361 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.298 -8.337 1.326 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.767 -7.880 0.432 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.268 -6.944 1.861 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.804 -5.563 0.567 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.879 -5.157 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.391 -6.846 -0.517 1.00 0.00 H new ATOM 243 N LEU B 597 8.482 -3.744 -1.369 1.00 0.00 N ATOM 244 CA LEU B 597 7.747 -3.061 -2.419 1.00 0.00 C ATOM 245 C LEU B 597 8.645 -2.479 -3.487 1.00 0.00 C ATOM 246 O LEU B 597 8.848 -3.069 -4.548 1.00 0.00 O ATOM 247 CB LEU B 597 6.920 -1.941 -1.806 1.00 0.00 C ATOM 248 CG LEU B 597 6.398 -0.900 -2.804 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.603 -1.567 -3.910 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.562 0.151 -2.094 1.00 0.00 C ATOM 0 H LEU B 597 8.349 -3.342 -0.441 1.00 0.00 H new ATOM 0 HA LEU B 597 7.111 -3.805 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.070 -2.381 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.525 -1.432 -1.056 1.00 0.00 H new ATOM 0 HG LEU B 597 7.255 -0.402 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.242 -0.810 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.241 -2.274 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.754 -2.097 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.201 0.880 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.712 -0.328 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.172 0.656 -1.345 1.00 0.00 H new ATOM 262 N VAL B 598 9.127 -1.288 -3.211 1.00 0.00 N ATOM 263 CA VAL B 598 9.945 -0.568 -4.146 1.00 0.00 C ATOM 264 C VAL B 598 11.191 -0.032 -3.466 1.00 0.00 C ATOM 265 O VAL B 598 11.621 1.092 -3.726 1.00 0.00 O ATOM 266 CB VAL B 598 9.146 0.598 -4.753 1.00 0.00 C ATOM 267 CG1 VAL B 598 7.929 0.090 -5.519 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.722 1.569 -3.662 1.00 0.00 C ATOM 0 H VAL B 598 8.960 -0.797 -2.333 1.00 0.00 H new ATOM 0 HA VAL B 598 10.246 -1.253 -4.938 1.00 0.00 H new ATOM 0 HB VAL B 598 9.791 1.122 -5.459 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.383 0.936 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.255 -0.566 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.278 -0.463 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.157 2.390 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL B 598 8.098 1.049 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.607 1.965 -3.163 1.00 0.00 H new ATOM 278 N ARG B 599 11.765 -0.839 -2.587 1.00 0.00 N ATOM 279 CA ARG B 599 12.956 -0.434 -1.866 1.00 0.00 C ATOM 280 C ARG B 599 14.045 -1.497 -1.959 1.00 0.00 C ATOM 281 O ARG B 599 14.015 -2.497 -1.242 1.00 0.00 O ATOM 282 CB ARG B 599 12.630 -0.154 -0.402 1.00 0.00 C ATOM 283 CG ARG B 599 11.378 0.688 -0.210 1.00 0.00 C ATOM 284 CD ARG B 599 11.309 1.271 1.193 1.00 0.00 C ATOM 285 NE ARG B 599 12.111 2.485 1.320 1.00 0.00 N ATOM 286 CZ ARG B 599 12.523 2.984 2.484 1.00 0.00 C ATOM 287 NH1 ARG B 599 12.209 2.377 3.622 1.00 0.00 N ATOM 288 NH2 ARG B 599 13.250 4.092 2.509 1.00 0.00 N ATOM 0 H ARG B 599 11.426 -1.773 -2.358 1.00 0.00 H new ATOM 0 HA ARG B 599 13.326 0.481 -2.329 1.00 0.00 H new ATOM 0 HB2 ARG B 599 12.505 -1.102 0.122 1.00 0.00 H new ATOM 0 HB3 ARG B 599 13.476 0.356 0.059 1.00 0.00 H new ATOM 0 HG2 ARG B 599 11.365 1.496 -0.942 1.00 0.00 H new ATOM 0 HG3 ARG B 599 10.495 0.076 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG B 599 10.272 1.494 1.443 1.00 0.00 H new ATOM 0 HD3 ARG B 599 11.657 0.529 1.912 1.00 0.00 H new ATOM 0 HE ARG B 599 12.371 2.980 0.467 1.00 0.00 H new ATOM 0 HH11 ARG B 599 11.650 1.524 3.608 1.00 0.00 H new ATOM 0 HH12 ARG B 599 12.527 2.763 4.511 1.00 0.00 H new ATOM 0 HH21 ARG B 599 13.494 4.562 1.637 1.00 0.00 H new ATOM 0 HH22 ARG B 599 13.566 4.475 3.400 1.00 0.00 H new ATOM 302 N VAL B 600 15.008 -1.273 -2.848 1.00 0.00 N ATOM 303 CA VAL B 600 16.108 -2.212 -3.035 1.00 0.00 C ATOM 304 C VAL B 600 17.132 -1.667 -4.026 1.00 0.00 C ATOM 305 O VAL B 600 16.727 -0.927 -4.948 1.00 0.00 O ATOM 306 CB VAL B 600 15.599 -3.581 -3.532 1.00 0.00 C ATOM 307 CG1 VAL B 600 14.908 -3.441 -4.880 1.00 0.00 C ATOM 308 CG2 VAL B 600 16.743 -4.581 -3.611 1.00 0.00 C ATOM 309 OXT VAL B 600 18.331 -1.984 -3.872 1.00 0.00 O ATOM 0 H VAL B 600 15.049 -0.450 -3.449 1.00 0.00 H new ATOM 0 HA VAL B 600 16.584 -2.343 -2.063 1.00 0.00 H new ATOM 0 HB VAL B 600 14.869 -3.956 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL B 600 14.557 -4.418 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL B 600 14.060 -2.763 -4.785 1.00 0.00 H new ATOM 0 HG13 VAL B 600 15.612 -3.041 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL B 600 16.364 -5.540 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL B 600 17.500 -4.213 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL B 600 17.185 -4.707 -2.623 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -18.561 -4.030 -1.088 1.00 0.00 N ATOM 321 CA ASP A 451 -17.400 -4.936 -0.881 1.00 0.00 C ATOM 322 C ASP A 451 -16.149 -4.397 -1.569 1.00 0.00 C ATOM 323 O ASP A 451 -16.215 -3.438 -2.339 1.00 0.00 O ATOM 324 CB ASP A 451 -17.757 -6.315 -1.432 1.00 0.00 C ATOM 325 CG ASP A 451 -17.754 -7.385 -0.357 1.00 0.00 C ATOM 326 OD1 ASP A 451 -18.798 -7.564 0.304 1.00 0.00 O ATOM 327 OD2 ASP A 451 -16.708 -8.042 -0.176 1.00 0.00 O ATOM 0 HA ASP A 451 -17.182 -5.003 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -18.742 -6.274 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -17.047 -6.586 -2.213 1.00 0.00 H new ATOM 334 N VAL A 452 -15.010 -5.020 -1.287 1.00 0.00 N ATOM 335 CA VAL A 452 -13.746 -4.606 -1.876 1.00 0.00 C ATOM 336 C VAL A 452 -12.651 -5.629 -1.597 1.00 0.00 C ATOM 337 O VAL A 452 -12.769 -6.441 -0.683 1.00 0.00 O ATOM 338 CB VAL A 452 -13.308 -3.224 -1.347 1.00 0.00 C ATOM 339 CG1 VAL A 452 -13.205 -3.240 0.171 1.00 0.00 C ATOM 340 CG2 VAL A 452 -11.990 -2.794 -1.977 1.00 0.00 C ATOM 0 H VAL A 452 -14.938 -5.815 -0.652 1.00 0.00 H new ATOM 0 HA VAL A 452 -13.900 -4.536 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.067 -2.495 -1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -12.895 -2.257 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -14.176 -3.490 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.470 -3.984 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -11.703 -1.817 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.216 -3.523 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.106 -2.734 -3.059 1.00 0.00 H new ATOM 350 N GLN A 453 -11.588 -5.589 -2.394 1.00 0.00 N ATOM 351 CA GLN A 453 -10.476 -6.519 -2.227 1.00 0.00 C ATOM 352 C GLN A 453 -9.191 -5.941 -2.811 1.00 0.00 C ATOM 353 O GLN A 453 -9.177 -5.444 -3.936 1.00 0.00 O ATOM 354 CB GLN A 453 -10.785 -7.865 -2.884 1.00 0.00 C ATOM 355 CG GLN A 453 -12.232 -8.029 -3.325 1.00 0.00 C ATOM 356 CD GLN A 453 -12.485 -9.356 -4.013 1.00 0.00 C ATOM 357 OE1 GLN A 453 -11.581 -10.182 -4.148 1.00 0.00 O ATOM 358 NE2 GLN A 453 -13.720 -9.570 -4.453 1.00 0.00 N ATOM 0 H GLN A 453 -11.473 -4.925 -3.160 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.336 -6.676 -1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -10.137 -7.990 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -10.538 -8.663 -2.184 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -12.885 -7.944 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.496 -7.217 -4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -14.439 -8.859 -4.320 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -13.949 -10.446 -4.923 1.00 0.00 H new ATOM 367 N VAL A 454 -8.113 -6.016 -2.039 1.00 0.00 N ATOM 368 CA VAL A 454 -6.820 -5.506 -2.481 1.00 0.00 C ATOM 369 C VAL A 454 -6.295 -6.323 -3.645 1.00 0.00 C ATOM 370 O VAL A 454 -5.955 -7.497 -3.491 1.00 0.00 O ATOM 371 CB VAL A 454 -5.790 -5.526 -1.340 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.411 -5.094 -1.831 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.267 -4.637 -0.213 1.00 0.00 C ATOM 0 H VAL A 454 -8.108 -6.425 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 454 -6.969 -4.474 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 454 -5.695 -6.547 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.705 -5.119 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.074 -5.773 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.467 -4.081 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.537 -4.651 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.383 -3.617 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.225 -5.001 0.157 1.00 0.00 H new ATOM 383 N THR A 455 -6.241 -5.704 -4.812 1.00 0.00 N ATOM 384 CA THR A 455 -5.769 -6.390 -5.996 1.00 0.00 C ATOM 385 C THR A 455 -4.740 -5.584 -6.756 1.00 0.00 C ATOM 386 O THR A 455 -4.598 -4.376 -6.567 1.00 0.00 O ATOM 387 CB THR A 455 -6.940 -6.722 -6.904 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.753 -5.580 -7.116 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.809 -7.808 -6.322 1.00 0.00 C ATOM 0 H THR A 455 -6.517 -4.734 -4.962 1.00 0.00 H new ATOM 0 HA THR A 455 -5.283 -7.309 -5.667 1.00 0.00 H new ATOM 0 HB THR A 455 -6.512 -7.065 -7.846 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.378 -5.480 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.635 -8.016 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.217 -8.712 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.204 -7.482 -5.360 1.00 0.00 H new ATOM 397 N GLU A 456 -4.037 -6.278 -7.631 1.00 0.00 N ATOM 398 CA GLU A 456 -3.020 -5.675 -8.460 1.00 0.00 C ATOM 399 C GLU A 456 -3.607 -4.552 -9.297 1.00 0.00 C ATOM 400 O GLU A 456 -3.106 -3.430 -9.297 1.00 0.00 O ATOM 401 CB GLU A 456 -2.436 -6.743 -9.368 1.00 0.00 C ATOM 402 CG GLU A 456 -1.253 -7.473 -8.758 1.00 0.00 C ATOM 403 CD GLU A 456 -0.815 -8.662 -9.590 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.771 -8.533 -10.832 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.518 -9.722 -9.001 1.00 0.00 O ATOM 0 H GLU A 456 -4.158 -7.279 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.240 -5.254 -7.825 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.214 -7.467 -9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.125 -6.282 -10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.418 -6.780 -8.651 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.516 -7.812 -7.756 1.00 0.00 H new ATOM 412 N ASP A 457 -4.670 -4.882 -10.013 1.00 0.00 N ATOM 413 CA ASP A 457 -5.350 -3.924 -10.881 1.00 0.00 C ATOM 414 C ASP A 457 -5.996 -2.791 -10.087 1.00 0.00 C ATOM 415 O ASP A 457 -6.158 -1.682 -10.594 1.00 0.00 O ATOM 416 CB ASP A 457 -6.405 -4.638 -11.722 1.00 0.00 C ATOM 417 CG ASP A 457 -6.122 -4.544 -13.209 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.400 -3.480 -13.801 1.00 0.00 O ATOM 419 OD2 ASP A 457 -5.621 -5.535 -13.782 1.00 0.00 O ATOM 0 H ASP A 457 -5.086 -5.813 -10.012 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.598 -3.482 -11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.450 -5.687 -11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.384 -4.207 -11.514 1.00 0.00 H new ATOM 424 N ALA A 458 -6.370 -3.077 -8.849 1.00 0.00 N ATOM 425 CA ALA A 458 -7.006 -2.081 -7.994 1.00 0.00 C ATOM 426 C ALA A 458 -6.039 -0.967 -7.628 1.00 0.00 C ATOM 427 O ALA A 458 -6.296 0.204 -7.898 1.00 0.00 O ATOM 428 CB ALA A 458 -7.552 -2.730 -6.728 1.00 0.00 C ATOM 0 H ALA A 458 -6.245 -3.990 -8.412 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.832 -1.646 -8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.022 -1.970 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.289 -3.487 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.736 -3.197 -6.178 1.00 0.00 H new ATOM 434 N VAL A 459 -4.927 -1.336 -7.006 1.00 0.00 N ATOM 435 CA VAL A 459 -3.930 -0.359 -6.595 1.00 0.00 C ATOM 436 C VAL A 459 -3.549 0.571 -7.743 1.00 0.00 C ATOM 437 O VAL A 459 -3.192 1.726 -7.521 1.00 0.00 O ATOM 438 CB VAL A 459 -2.670 -1.040 -6.034 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.737 -0.005 -5.424 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.049 -2.095 -5.004 1.00 0.00 C ATOM 0 H VAL A 459 -4.694 -2.302 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.383 0.237 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.148 -1.534 -6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.850 -0.502 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.442 0.714 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.250 0.515 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.146 -2.567 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.592 -1.625 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.681 -2.850 -5.472 1.00 0.00 H new ATOM 450 N ARG A 460 -3.649 0.067 -8.969 1.00 0.00 N ATOM 451 CA ARG A 460 -3.333 0.864 -10.155 1.00 0.00 C ATOM 452 C ARG A 460 -4.211 2.109 -10.209 1.00 0.00 C ATOM 453 O ARG A 460 -3.731 3.211 -10.466 1.00 0.00 O ATOM 454 CB ARG A 460 -3.538 0.046 -11.436 1.00 0.00 C ATOM 455 CG ARG A 460 -3.021 -1.381 -11.353 1.00 0.00 C ATOM 456 CD ARG A 460 -1.563 -1.430 -10.923 1.00 0.00 C ATOM 457 NE ARG A 460 -0.688 -1.880 -12.003 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.184 -1.075 -12.938 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.465 0.223 -12.932 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.602 -1.570 -13.883 1.00 0.00 N ATOM 0 H ARG A 460 -3.946 -0.888 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.286 1.160 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.602 0.022 -11.672 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -3.040 0.554 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.628 -1.947 -10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -3.130 -1.864 -12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.250 -0.440 -10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.459 -2.100 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.448 -2.871 -12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.070 0.610 -12.208 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.075 0.832 -13.651 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.821 -2.566 -13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.988 -0.955 -14.599 1.00 0.00 H new ATOM 474 N ARG A 461 -5.504 1.916 -9.961 1.00 0.00 N ATOM 475 CA ARG A 461 -6.466 3.008 -9.977 1.00 0.00 C ATOM 476 C ARG A 461 -6.115 4.059 -8.928 1.00 0.00 C ATOM 477 O ARG A 461 -6.475 5.229 -9.061 1.00 0.00 O ATOM 478 CB ARG A 461 -7.873 2.445 -9.749 1.00 0.00 C ATOM 479 CG ARG A 461 -8.314 2.480 -8.301 1.00 0.00 C ATOM 480 CD ARG A 461 -9.730 1.962 -8.128 1.00 0.00 C ATOM 481 NE ARG A 461 -10.601 2.949 -7.493 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.214 3.932 -8.148 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.056 4.067 -9.459 1.00 0.00 N ATOM 484 NH2 ARG A 461 -11.988 4.784 -7.490 1.00 0.00 N ATOM 0 H ARG A 461 -5.909 1.005 -9.745 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.435 3.500 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.584 3.012 -10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.905 1.415 -10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.632 1.880 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -8.253 3.502 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.138 1.691 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.713 1.053 -7.526 1.00 0.00 H new ATOM 0 HE ARG A 461 -10.748 2.880 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -10.462 3.415 -9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -11.529 4.823 -9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -12.113 4.686 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -12.458 5.538 -7.991 1.00 0.00 H new ATOM 498 N TYR A 462 -5.410 3.635 -7.886 1.00 0.00 N ATOM 499 CA TYR A 462 -5.011 4.542 -6.819 1.00 0.00 C ATOM 500 C TYR A 462 -3.820 5.390 -7.246 1.00 0.00 C ATOM 501 O TYR A 462 -3.755 6.580 -6.945 1.00 0.00 O ATOM 502 CB TYR A 462 -4.681 3.750 -5.551 1.00 0.00 C ATOM 503 CG TYR A 462 -5.783 2.800 -5.129 1.00 0.00 C ATOM 504 CD1 TYR A 462 -7.093 2.985 -5.559 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.514 1.717 -4.303 1.00 0.00 C ATOM 506 CE1 TYR A 462 -8.100 2.119 -5.178 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.515 0.847 -3.919 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.806 1.052 -4.359 1.00 0.00 C ATOM 509 OH TYR A 462 -8.805 0.186 -3.977 1.00 0.00 O ATOM 0 H TYR A 462 -5.104 2.671 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.843 5.213 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.765 3.182 -5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.482 4.448 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.327 3.820 -6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.505 1.552 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -9.112 2.278 -5.521 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.288 0.009 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.427 -0.521 -3.414 1.00 0.00 H new ATOM 519 N LEU A 463 -2.883 4.769 -7.954 1.00 0.00 N ATOM 520 CA LEU A 463 -1.694 5.458 -8.428 1.00 0.00 C ATOM 521 C LEU A 463 -2.035 6.452 -9.529 1.00 0.00 C ATOM 522 O LEU A 463 -1.820 7.654 -9.379 1.00 0.00 O ATOM 523 CB LEU A 463 -0.682 4.445 -8.948 1.00 0.00 C ATOM 524 CG LEU A 463 -0.686 3.086 -8.245 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.547 2.286 -8.633 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.758 3.260 -6.731 1.00 0.00 C ATOM 0 H LEU A 463 -2.927 3.783 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.266 6.009 -7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.868 4.285 -10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.315 4.876 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.571 2.536 -8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.530 1.322 -8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.554 2.128 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.443 2.834 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.760 2.281 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.106 3.830 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.672 3.794 -6.469 1.00 0.00 H new ATOM 538 N THR A 464 -2.572 5.945 -10.636 1.00 0.00 N ATOM 539 CA THR A 464 -2.947 6.791 -11.760 1.00 0.00 C ATOM 540 C THR A 464 -3.759 7.986 -11.282 1.00 0.00 C ATOM 541 O THR A 464 -3.759 9.046 -11.908 1.00 0.00 O ATOM 542 CB THR A 464 -3.746 5.986 -12.785 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.291 4.820 -12.196 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.924 5.553 -13.980 1.00 0.00 C ATOM 0 H THR A 464 -2.756 4.952 -10.776 1.00 0.00 H new ATOM 0 HA THR A 464 -2.037 7.158 -12.234 1.00 0.00 H new ATOM 0 HB THR A 464 -4.532 6.659 -13.128 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.567 4.203 -11.960 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.552 4.986 -14.668 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.531 6.433 -14.489 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.097 4.927 -13.645 1.00 0.00 H new ATOM 552 N ARG A 465 -4.447 7.803 -10.164 1.00 0.00 N ATOM 553 CA ARG A 465 -5.261 8.855 -9.590 1.00 0.00 C ATOM 554 C ARG A 465 -4.430 9.745 -8.666 1.00 0.00 C ATOM 555 O ARG A 465 -4.454 10.970 -8.787 1.00 0.00 O ATOM 556 CB ARG A 465 -6.439 8.257 -8.820 1.00 0.00 C ATOM 557 CG ARG A 465 -7.402 9.299 -8.275 1.00 0.00 C ATOM 558 CD ARG A 465 -8.179 8.771 -7.080 1.00 0.00 C ATOM 559 NE ARG A 465 -7.308 8.494 -5.941 1.00 0.00 N ATOM 560 CZ ARG A 465 -7.657 7.729 -4.909 1.00 0.00 C ATOM 561 NH1 ARG A 465 -8.858 7.164 -4.869 1.00 0.00 N ATOM 562 NH2 ARG A 465 -6.805 7.529 -3.914 1.00 0.00 N ATOM 0 H ARG A 465 -4.455 6.930 -9.637 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.645 9.468 -10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.984 7.579 -9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.056 7.660 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.847 10.191 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -8.098 9.598 -9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.936 9.499 -6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.706 7.860 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 465 -6.377 8.911 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.518 7.315 -5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -9.120 6.579 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -5.881 7.961 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -7.073 6.943 -3.123 1.00 0.00 H new ATOM 576 N LYS A 466 -3.696 9.120 -7.745 1.00 0.00 N ATOM 577 CA LYS A 466 -2.861 9.851 -6.799 1.00 0.00 C ATOM 578 C LYS A 466 -1.906 8.899 -6.076 1.00 0.00 C ATOM 579 O LYS A 466 -2.336 7.888 -5.523 1.00 0.00 O ATOM 580 CB LYS A 466 -3.738 10.578 -5.777 1.00 0.00 C ATOM 581 CG LYS A 466 -3.872 12.071 -6.029 1.00 0.00 C ATOM 582 CD LYS A 466 -2.530 12.788 -5.951 1.00 0.00 C ATOM 583 CE LYS A 466 -1.732 12.369 -4.724 1.00 0.00 C ATOM 584 NZ LYS A 466 -2.506 12.558 -3.466 1.00 0.00 N ATOM 0 H LYS A 466 -3.665 8.106 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.273 10.582 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.731 10.129 -5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.322 10.424 -4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -4.313 12.234 -7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.556 12.502 -5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -1.952 12.575 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.695 13.865 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -1.444 11.322 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -0.811 12.950 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -1.910 13.036 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -3.347 13.139 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -2.803 11.631 -3.098 1.00 0.00 H new ATOM 598 N PRO A 467 -0.593 9.202 -6.062 1.00 0.00 N ATOM 599 CA PRO A 467 0.397 8.353 -5.398 1.00 0.00 C ATOM 600 C PRO A 467 -0.017 7.973 -3.980 1.00 0.00 C ATOM 601 O PRO A 467 -0.993 8.499 -3.446 1.00 0.00 O ATOM 602 CB PRO A 467 1.682 9.195 -5.406 1.00 0.00 C ATOM 603 CG PRO A 467 1.262 10.563 -5.835 1.00 0.00 C ATOM 604 CD PRO A 467 0.034 10.376 -6.679 1.00 0.00 C ATOM 0 HA PRO A 467 0.518 7.398 -5.909 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.142 9.218 -4.418 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.420 8.778 -6.092 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.049 11.194 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.053 11.054 -6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.618 11.249 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.283 10.201 -7.726 1.00 0.00 H new ATOM 612 N MET A 468 0.718 7.037 -3.387 1.00 0.00 N ATOM 613 CA MET A 468 0.412 6.564 -2.039 1.00 0.00 C ATOM 614 C MET A 468 1.634 5.969 -1.356 1.00 0.00 C ATOM 615 O MET A 468 2.724 5.907 -1.924 1.00 0.00 O ATOM 616 CB MET A 468 -0.689 5.486 -2.072 1.00 0.00 C ATOM 617 CG MET A 468 -0.808 4.726 -3.391 1.00 0.00 C ATOM 618 SD MET A 468 0.780 4.195 -4.079 1.00 0.00 S ATOM 619 CE MET A 468 1.482 3.232 -2.740 1.00 0.00 C ATOM 0 H MET A 468 1.528 6.591 -3.817 1.00 0.00 H new ATOM 0 HA MET A 468 0.073 7.434 -1.477 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.499 4.769 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.647 5.959 -1.855 1.00 0.00 H new ATOM 0 HG2 MET A 468 -1.438 3.849 -3.238 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.315 5.359 -4.119 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.328 3.768 -2.311 1.00 0.00 H new ATOM 0 HE2 MET A 468 0.726 3.073 -1.971 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.819 2.269 -3.123 1.00 0.00 H new ATOM 629 N THR A 469 1.409 5.494 -0.137 1.00 0.00 N ATOM 630 CA THR A 469 2.438 4.845 0.655 1.00 0.00 C ATOM 631 C THR A 469 1.971 3.422 0.952 1.00 0.00 C ATOM 632 O THR A 469 0.816 3.088 0.685 1.00 0.00 O ATOM 633 CB THR A 469 2.672 5.605 1.962 1.00 0.00 C ATOM 634 OG1 THR A 469 1.540 6.389 2.296 1.00 0.00 O ATOM 635 CG2 THR A 469 3.869 6.526 1.914 1.00 0.00 C ATOM 0 H THR A 469 0.503 5.550 0.329 1.00 0.00 H new ATOM 0 HA THR A 469 3.379 4.832 0.105 1.00 0.00 H new ATOM 0 HB THR A 469 2.856 4.836 2.713 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.641 6.738 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.977 7.033 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 469 4.768 5.944 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 469 3.727 7.266 1.126 1.00 0.00 H new ATOM 643 N THR A 470 2.836 2.581 1.503 1.00 0.00 N ATOM 644 CA THR A 470 2.431 1.212 1.811 1.00 0.00 C ATOM 645 C THR A 470 1.467 1.191 2.981 1.00 0.00 C ATOM 646 O THR A 470 0.556 0.364 3.035 1.00 0.00 O ATOM 647 CB THR A 470 3.640 0.320 2.092 1.00 0.00 C ATOM 648 OG1 THR A 470 4.731 1.080 2.574 1.00 0.00 O ATOM 649 CG2 THR A 470 4.106 -0.436 0.867 1.00 0.00 C ATOM 0 H THR A 470 3.800 2.812 1.742 1.00 0.00 H new ATOM 0 HA THR A 470 1.922 0.812 0.934 1.00 0.00 H new ATOM 0 HB THR A 470 3.308 -0.396 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.879 0.875 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.967 -1.053 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.299 -1.073 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.388 0.272 0.088 1.00 0.00 H new ATOM 657 N LYS A 471 1.652 2.121 3.899 1.00 0.00 N ATOM 658 CA LYS A 471 0.774 2.228 5.053 1.00 0.00 C ATOM 659 C LYS A 471 -0.532 2.879 4.630 1.00 0.00 C ATOM 660 O LYS A 471 -1.616 2.408 4.963 1.00 0.00 O ATOM 661 CB LYS A 471 1.435 3.050 6.161 1.00 0.00 C ATOM 662 CG LYS A 471 2.932 2.811 6.291 1.00 0.00 C ATOM 663 CD LYS A 471 3.728 4.003 5.790 1.00 0.00 C ATOM 664 CE LYS A 471 5.064 3.574 5.205 1.00 0.00 C ATOM 665 NZ LYS A 471 4.986 3.363 3.735 1.00 0.00 N ATOM 0 H LYS A 471 2.401 2.813 3.870 1.00 0.00 H new ATOM 0 HA LYS A 471 0.577 1.229 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.261 4.109 5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.955 2.815 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.182 2.617 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.211 1.922 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.152 4.534 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 471 3.896 4.701 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.816 4.333 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.392 2.653 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.943 3.222 3.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.406 2.523 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 4.554 4.196 3.287 1.00 0.00 H new ATOM 679 N ASP A 472 -0.412 3.965 3.882 1.00 0.00 N ATOM 680 CA ASP A 472 -1.575 4.691 3.395 1.00 0.00 C ATOM 681 C ASP A 472 -2.406 3.840 2.434 1.00 0.00 C ATOM 682 O ASP A 472 -3.582 4.123 2.210 1.00 0.00 O ATOM 683 CB ASP A 472 -1.132 5.975 2.694 1.00 0.00 C ATOM 684 CG ASP A 472 -2.305 6.846 2.285 1.00 0.00 C ATOM 685 OD1 ASP A 472 -2.883 6.593 1.208 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.644 7.779 3.042 1.00 0.00 O ATOM 0 H ASP A 472 0.483 4.364 3.598 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.198 4.937 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.477 6.540 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.547 5.720 1.810 1.00 0.00 H new ATOM 691 N LEU A 473 -1.793 2.805 1.857 1.00 0.00 N ATOM 692 CA LEU A 473 -2.497 1.942 0.913 1.00 0.00 C ATOM 693 C LEU A 473 -3.407 0.941 1.617 1.00 0.00 C ATOM 694 O LEU A 473 -4.486 0.620 1.126 1.00 0.00 O ATOM 695 CB LEU A 473 -1.511 1.215 0.007 1.00 0.00 C ATOM 696 CG LEU A 473 -1.435 1.766 -1.413 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.498 0.922 -2.253 1.00 0.00 C ATOM 698 CD2 LEU A 473 -2.820 1.813 -2.039 1.00 0.00 C ATOM 0 H LEU A 473 -0.821 2.547 2.026 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.130 2.586 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.519 1.264 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.788 0.162 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.043 2.782 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.453 1.326 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.499 0.936 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.865 -0.104 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -2.748 2.209 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -3.239 0.807 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.467 2.457 -1.443 1.00 0.00 H new ATOM 710 N LEU A 474 -2.957 0.434 2.752 1.00 0.00 N ATOM 711 CA LEU A 474 -3.734 -0.550 3.507 1.00 0.00 C ATOM 712 C LEU A 474 -4.799 0.105 4.388 1.00 0.00 C ATOM 713 O LEU A 474 -5.959 -0.305 4.373 1.00 0.00 O ATOM 714 CB LEU A 474 -2.834 -1.440 4.368 1.00 0.00 C ATOM 715 CG LEU A 474 -1.782 -0.699 5.180 1.00 0.00 C ATOM 716 CD1 LEU A 474 -2.273 -0.457 6.599 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.466 -1.465 5.188 1.00 0.00 C ATOM 0 H LEU A 474 -2.062 0.682 3.174 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.238 -1.169 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.462 -2.012 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.331 -2.158 3.720 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.607 0.268 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.507 0.074 7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -3.184 0.141 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.481 -1.413 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.271 -0.916 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.621 -2.450 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.105 -1.578 4.166 1.00 0.00 H new ATOM 729 N LYS A 475 -4.401 1.110 5.165 1.00 0.00 N ATOM 730 CA LYS A 475 -5.319 1.802 6.062 1.00 0.00 C ATOM 731 C LYS A 475 -6.627 2.165 5.367 1.00 0.00 C ATOM 732 O LYS A 475 -7.675 2.252 6.006 1.00 0.00 O ATOM 733 CB LYS A 475 -4.649 3.055 6.615 1.00 0.00 C ATOM 734 CG LYS A 475 -3.357 2.755 7.354 1.00 0.00 C ATOM 735 CD LYS A 475 -3.594 1.815 8.520 1.00 0.00 C ATOM 736 CE LYS A 475 -2.404 1.787 9.465 1.00 0.00 C ATOM 737 NZ LYS A 475 -2.599 2.689 10.633 1.00 0.00 N ATOM 0 H LYS A 475 -3.444 1.463 5.190 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.563 1.125 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.442 3.742 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.339 3.562 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.637 2.311 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.919 3.685 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -4.485 2.127 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.786 0.810 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -2.244 0.768 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.505 2.083 8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.765 2.640 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -2.726 3.666 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -3.442 2.392 11.164 1.00 0.00 H new ATOM 751 N LYS A 476 -6.563 2.376 4.059 1.00 0.00 N ATOM 752 CA LYS A 476 -7.753 2.727 3.296 1.00 0.00 C ATOM 753 C LYS A 476 -8.640 1.503 3.075 1.00 0.00 C ATOM 754 O LYS A 476 -9.860 1.579 3.222 1.00 0.00 O ATOM 755 CB LYS A 476 -7.374 3.359 1.955 1.00 0.00 C ATOM 756 CG LYS A 476 -6.314 2.585 1.198 1.00 0.00 C ATOM 757 CD LYS A 476 -6.553 2.633 -0.302 1.00 0.00 C ATOM 758 CE LYS A 476 -7.163 1.336 -0.807 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.422 1.574 -1.567 1.00 0.00 N ATOM 0 H LYS A 476 -5.707 2.311 3.508 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.316 3.459 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -8.267 3.438 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.016 4.374 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.330 2.997 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.310 1.548 1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.215 3.465 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -5.610 2.818 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.445 0.821 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.367 0.678 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.224 1.164 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -8.570 2.597 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.352 1.127 -2.504 1.00 0.00 H new ATOM 773 N PHE A 477 -8.024 0.371 2.738 1.00 0.00 N ATOM 774 CA PHE A 477 -8.759 -0.862 2.520 1.00 0.00 C ATOM 775 C PHE A 477 -9.372 -1.347 3.822 1.00 0.00 C ATOM 776 O PHE A 477 -10.593 -1.386 3.983 1.00 0.00 O ATOM 777 CB PHE A 477 -7.823 -1.933 1.965 1.00 0.00 C ATOM 778 CG PHE A 477 -7.706 -1.927 0.470 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.796 -2.229 -0.332 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.500 -1.622 -0.136 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.682 -2.225 -1.708 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.379 -1.619 -1.509 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.472 -1.920 -2.298 1.00 0.00 C ATOM 0 H PHE A 477 -7.015 0.288 2.611 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.557 -0.671 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.832 -1.794 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.177 -2.912 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.745 -2.470 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.642 -1.383 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.539 -2.460 -2.322 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.430 -1.382 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.380 -1.917 -3.374 1.00 0.00 H new ATOM 793 N GLN A 478 -8.500 -1.710 4.747 1.00 0.00 N ATOM 794 CA GLN A 478 -8.913 -2.194 6.060 1.00 0.00 C ATOM 795 C GLN A 478 -9.899 -3.352 5.943 1.00 0.00 C ATOM 796 O GLN A 478 -10.338 -3.701 4.848 1.00 0.00 O ATOM 797 CB GLN A 478 -9.537 -1.058 6.872 1.00 0.00 C ATOM 798 CG GLN A 478 -8.526 -0.256 7.673 1.00 0.00 C ATOM 799 CD GLN A 478 -9.177 0.802 8.542 1.00 0.00 C ATOM 800 OE1 GLN A 478 -9.014 0.808 9.762 1.00 0.00 O ATOM 801 NE2 GLN A 478 -9.920 1.706 7.915 1.00 0.00 N ATOM 0 H GLN A 478 -7.489 -1.679 4.613 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.023 -2.558 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -10.066 -0.387 6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -10.279 -1.475 7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -7.948 -0.933 8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.824 0.222 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -10.028 1.663 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -10.383 2.443 8.447 1.00 0.00 H new ATOM 810 N THR A 479 -10.243 -3.941 7.085 1.00 0.00 N ATOM 811 CA THR A 479 -11.179 -5.061 7.123 1.00 0.00 C ATOM 812 C THR A 479 -12.629 -4.585 7.020 1.00 0.00 C ATOM 813 O THR A 479 -13.557 -5.391 7.098 1.00 0.00 O ATOM 814 CB THR A 479 -10.989 -5.861 8.413 1.00 0.00 C ATOM 815 OG1 THR A 479 -9.642 -5.806 8.844 1.00 0.00 O ATOM 816 CG2 THR A 479 -11.369 -7.319 8.274 1.00 0.00 C ATOM 0 H THR A 479 -9.887 -3.660 7.999 1.00 0.00 H new ATOM 0 HA THR A 479 -10.970 -5.698 6.263 1.00 0.00 H new ATOM 0 HB THR A 479 -11.654 -5.397 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 479 -9.050 -5.764 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.210 -7.829 9.224 1.00 0.00 H new ATOM 0 HG22 THR A 479 -12.419 -7.396 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.752 -7.784 7.505 1.00 0.00 H new ATOM 824 N LYS A 480 -12.823 -3.277 6.852 1.00 0.00 N ATOM 825 CA LYS A 480 -14.163 -2.705 6.745 1.00 0.00 C ATOM 826 C LYS A 480 -15.044 -3.515 5.797 1.00 0.00 C ATOM 827 O LYS A 480 -16.228 -3.720 6.061 1.00 0.00 O ATOM 828 CB LYS A 480 -14.081 -1.254 6.265 1.00 0.00 C ATOM 829 CG LYS A 480 -15.139 -0.350 6.877 1.00 0.00 C ATOM 830 CD LYS A 480 -16.450 -0.430 6.111 1.00 0.00 C ATOM 831 CE LYS A 480 -17.442 0.613 6.597 1.00 0.00 C ATOM 832 NZ LYS A 480 -17.103 1.976 6.101 1.00 0.00 N ATOM 0 H LYS A 480 -12.068 -2.594 6.787 1.00 0.00 H new ATOM 0 HA LYS A 480 -14.616 -2.735 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -13.094 -0.857 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -14.181 -1.233 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -15.305 -0.634 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -14.781 0.680 6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -16.261 -0.286 5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -16.880 -1.425 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -18.444 0.344 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -17.460 0.617 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -17.849 2.644 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -16.195 2.278 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -17.028 1.959 5.064 1.00 0.00 H new ATOM 846 N LYS A 481 -14.461 -3.974 4.693 1.00 0.00 N ATOM 847 CA LYS A 481 -15.205 -4.760 3.715 1.00 0.00 C ATOM 848 C LYS A 481 -14.358 -5.892 3.148 1.00 0.00 C ATOM 849 O LYS A 481 -14.834 -7.019 3.004 1.00 0.00 O ATOM 850 CB LYS A 481 -15.708 -3.865 2.581 1.00 0.00 C ATOM 851 CG LYS A 481 -16.746 -2.846 3.024 1.00 0.00 C ATOM 852 CD LYS A 481 -18.149 -3.248 2.594 1.00 0.00 C ATOM 853 CE LYS A 481 -18.878 -2.098 1.918 1.00 0.00 C ATOM 854 NZ LYS A 481 -20.159 -2.537 1.299 1.00 0.00 N ATOM 0 H LYS A 481 -13.482 -3.816 4.455 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.059 -5.201 4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.860 -3.340 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -16.137 -4.491 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.714 -2.742 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.502 -1.871 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.092 -4.095 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.716 -3.578 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.078 -1.316 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -18.236 -1.662 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.733 -1.703 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.959 -3.078 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.681 -3.137 1.969 1.00 0.00 H new ATOM 868 N THR A 482 -13.104 -5.594 2.832 1.00 0.00 N ATOM 869 CA THR A 482 -12.200 -6.598 2.285 1.00 0.00 C ATOM 870 C THR A 482 -12.136 -7.834 3.184 1.00 0.00 C ATOM 871 O THR A 482 -11.685 -8.896 2.756 1.00 0.00 O ATOM 872 CB THR A 482 -10.794 -6.019 2.118 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.232 -5.694 3.376 1.00 0.00 O ATOM 874 CG2 THR A 482 -10.753 -4.772 1.263 1.00 0.00 C ATOM 0 H THR A 482 -12.691 -4.668 2.945 1.00 0.00 H new ATOM 0 HA THR A 482 -12.589 -6.894 1.311 1.00 0.00 H new ATOM 0 HB THR A 482 -10.222 -6.800 1.618 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.305 -4.728 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.725 -4.416 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.132 -5.001 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.372 -3.999 1.718 1.00 0.00 H new ATOM 882 N GLY A 483 -12.574 -7.687 4.435 1.00 0.00 N ATOM 883 CA GLY A 483 -12.532 -8.797 5.361 1.00 0.00 C ATOM 884 C GLY A 483 -11.110 -9.199 5.679 1.00 0.00 C ATOM 885 O GLY A 483 -10.854 -10.310 6.142 1.00 0.00 O ATOM 0 H GLY A 483 -12.954 -6.821 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.049 -8.524 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.065 -9.647 4.936 1.00 0.00 H new ATOM 889 N LEU A 484 -10.183 -8.285 5.418 1.00 0.00 N ATOM 890 CA LEU A 484 -8.775 -8.530 5.662 1.00 0.00 C ATOM 891 C LEU A 484 -8.275 -7.719 6.853 1.00 0.00 C ATOM 892 O LEU A 484 -8.340 -6.489 6.854 1.00 0.00 O ATOM 893 CB LEU A 484 -7.955 -8.196 4.410 1.00 0.00 C ATOM 894 CG LEU A 484 -7.417 -9.400 3.626 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.391 -10.571 3.677 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.139 -9.006 2.183 1.00 0.00 C ATOM 0 H LEU A 484 -10.388 -7.362 5.035 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.650 -9.587 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.574 -7.598 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.111 -7.572 4.706 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.485 -9.718 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -7.982 -11.409 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.544 -10.872 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.344 -10.271 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.758 -9.869 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.061 -8.660 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.399 -8.206 2.160 1.00 0.00 H new ATOM 908 N SER A 485 -7.773 -8.421 7.861 1.00 0.00 N ATOM 909 CA SER A 485 -7.254 -7.783 9.067 1.00 0.00 C ATOM 910 C SER A 485 -6.291 -6.653 8.731 1.00 0.00 C ATOM 911 O SER A 485 -5.739 -6.600 7.633 1.00 0.00 O ATOM 912 CB SER A 485 -6.530 -8.811 9.927 1.00 0.00 C ATOM 913 OG SER A 485 -6.923 -8.710 11.285 1.00 0.00 O ATOM 0 H SER A 485 -7.714 -9.439 7.868 1.00 0.00 H new ATOM 0 HA SER A 485 -8.102 -7.366 9.611 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.744 -9.814 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.453 -8.664 9.845 1.00 0.00 H new ATOM 0 HG SER A 485 -6.445 -9.382 11.815 1.00 0.00 H new ATOM 919 N SER A 486 -6.069 -5.764 9.695 1.00 0.00 N ATOM 920 CA SER A 486 -5.144 -4.657 9.502 1.00 0.00 C ATOM 921 C SER A 486 -3.751 -5.197 9.197 1.00 0.00 C ATOM 922 O SER A 486 -2.929 -4.524 8.575 1.00 0.00 O ATOM 923 CB SER A 486 -5.104 -3.767 10.746 1.00 0.00 C ATOM 924 OG SER A 486 -5.473 -4.493 11.905 1.00 0.00 O ATOM 0 H SER A 486 -6.515 -5.790 10.612 1.00 0.00 H new ATOM 0 HA SER A 486 -5.487 -4.055 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.101 -3.359 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 486 -5.778 -2.921 10.613 1.00 0.00 H new ATOM 0 HG SER A 486 -4.914 -4.211 12.659 1.00 0.00 H new ATOM 930 N GLU A 487 -3.507 -6.430 9.635 1.00 0.00 N ATOM 931 CA GLU A 487 -2.235 -7.094 9.414 1.00 0.00 C ATOM 932 C GLU A 487 -2.266 -7.864 8.101 1.00 0.00 C ATOM 933 O GLU A 487 -1.387 -7.712 7.253 1.00 0.00 O ATOM 934 CB GLU A 487 -1.924 -8.034 10.585 1.00 0.00 C ATOM 935 CG GLU A 487 -0.954 -9.156 10.245 1.00 0.00 C ATOM 936 CD GLU A 487 -0.384 -9.830 11.478 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.157 -10.491 12.204 1.00 0.00 O ATOM 938 OE2 GLU A 487 0.835 -9.700 11.716 1.00 0.00 O ATOM 0 H GLU A 487 -4.186 -6.991 10.150 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.447 -6.343 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -1.511 -7.448 11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -2.856 -8.471 10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.465 -9.899 9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -0.137 -8.755 9.645 1.00 0.00 H new ATOM 945 N GLN A 488 -3.294 -8.682 7.944 1.00 0.00 N ATOM 946 CA GLN A 488 -3.464 -9.475 6.732 1.00 0.00 C ATOM 947 C GLN A 488 -3.554 -8.560 5.519 1.00 0.00 C ATOM 948 O GLN A 488 -2.958 -8.834 4.477 1.00 0.00 O ATOM 949 CB GLN A 488 -4.713 -10.353 6.825 1.00 0.00 C ATOM 950 CG GLN A 488 -4.403 -11.827 7.021 1.00 0.00 C ATOM 951 CD GLN A 488 -5.654 -12.679 7.121 1.00 0.00 C ATOM 952 OE1 GLN A 488 -6.585 -12.268 7.975 1.00 0.00 O flip ATOM 953 NE2 GLN A 488 -5.781 -13.696 6.438 1.00 0.00 N flip ATOM 0 H GLN A 488 -4.026 -8.816 8.641 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.597 -10.127 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.331 -10.006 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.302 -10.231 5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.793 -12.180 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.810 -11.952 7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.040 -13.974 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.627 -14.260 6.516 1.00 0.00 H new ATOM 962 N THR A 489 -4.287 -7.458 5.670 1.00 0.00 N ATOM 963 CA THR A 489 -4.430 -6.491 4.591 1.00 0.00 C ATOM 964 C THR A 489 -3.056 -6.120 4.048 1.00 0.00 C ATOM 965 O THR A 489 -2.901 -5.820 2.867 1.00 0.00 O ATOM 966 CB THR A 489 -5.156 -5.235 5.083 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.468 -5.550 5.519 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.269 -4.155 4.027 1.00 0.00 C ATOM 0 H THR A 489 -4.787 -7.216 6.525 1.00 0.00 H new ATOM 0 HA THR A 489 -5.023 -6.941 3.795 1.00 0.00 H new ATOM 0 HB THR A 489 -4.548 -4.855 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.444 -5.816 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.793 -3.294 4.442 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.272 -3.853 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.823 -4.540 3.171 1.00 0.00 H new ATOM 976 N VAL A 490 -2.059 -6.164 4.928 1.00 0.00 N ATOM 977 CA VAL A 490 -0.684 -5.851 4.549 1.00 0.00 C ATOM 978 C VAL A 490 -0.023 -7.068 3.920 1.00 0.00 C ATOM 979 O VAL A 490 0.697 -6.960 2.927 1.00 0.00 O ATOM 980 CB VAL A 490 0.144 -5.403 5.763 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.414 -4.695 5.320 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.689 -4.508 6.661 1.00 0.00 C ATOM 0 H VAL A 490 -2.178 -6.414 5.910 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.720 -5.033 3.829 1.00 0.00 H new ATOM 0 HB VAL A 490 0.436 -6.287 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.984 -4.387 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 490 2.017 -5.373 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.154 -3.816 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.092 -4.196 7.518 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.009 -3.628 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.565 -5.055 7.008 1.00 0.00 H new ATOM 992 N ASN A 491 -0.296 -8.230 4.500 1.00 0.00 N ATOM 993 CA ASN A 491 0.243 -9.487 4.003 1.00 0.00 C ATOM 994 C ASN A 491 -0.223 -9.723 2.568 1.00 0.00 C ATOM 995 O ASN A 491 0.479 -10.336 1.764 1.00 0.00 O ATOM 996 CB ASN A 491 -0.205 -10.628 4.924 1.00 0.00 C ATOM 997 CG ASN A 491 -0.186 -11.987 4.249 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.866 -12.481 3.843 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.360 -12.598 4.130 1.00 0.00 N ATOM 0 H ASN A 491 -0.893 -8.327 5.322 1.00 0.00 H new ATOM 0 HA ASN A 491 1.332 -9.448 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.444 -10.656 5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.214 -10.422 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.415 -13.515 3.687 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.206 -12.150 4.482 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.412 -9.218 2.261 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.991 -9.349 0.929 1.00 0.00 C ATOM 1008 C VAL A 492 -1.774 -8.074 0.114 1.00 0.00 C ATOM 1009 O VAL A 492 -2.080 -8.028 -1.074 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.501 -9.647 1.013 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.203 -8.588 1.855 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.115 -9.733 -0.378 1.00 0.00 C ATOM 0 H VAL A 492 -1.998 -8.710 2.923 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.489 -10.181 0.434 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.636 -10.615 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.269 -8.811 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.784 -8.587 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.059 -7.608 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.181 -9.944 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.973 -8.785 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.631 -10.531 -0.941 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.250 -7.041 0.760 1.00 0.00 N ATOM 1023 CA LEU A 493 -0.995 -5.775 0.098 1.00 0.00 C ATOM 1024 C LEU A 493 0.444 -5.713 -0.403 1.00 0.00 C ATOM 1025 O LEU A 493 0.713 -5.228 -1.502 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.268 -4.615 1.063 1.00 0.00 C ATOM 1027 CG LEU A 493 -0.805 -3.240 0.583 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.291 -2.973 -0.834 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.291 -2.154 1.527 1.00 0.00 C ATOM 0 H LEU A 493 -0.993 -7.059 1.747 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.663 -5.690 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.340 -4.571 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.780 -4.833 2.013 1.00 0.00 H new ATOM 0 HG LEU A 493 0.285 -3.229 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -0.950 -1.989 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.891 -3.733 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.380 -3.005 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.952 -1.182 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.380 -2.166 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.890 -2.333 2.525 1.00 0.00 H new ATOM 1041 N ALA A 494 1.364 -6.208 0.417 1.00 0.00 N ATOM 1042 CA ALA A 494 2.780 -6.214 0.074 1.00 0.00 C ATOM 1043 C ALA A 494 3.026 -6.899 -1.265 1.00 0.00 C ATOM 1044 O ALA A 494 3.883 -6.479 -2.041 1.00 0.00 O ATOM 1045 CB ALA A 494 3.577 -6.906 1.168 1.00 0.00 C ATOM 0 H ALA A 494 1.152 -6.612 1.329 1.00 0.00 H new ATOM 0 HA ALA A 494 3.109 -5.179 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.634 -6.906 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.439 -6.375 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.230 -7.934 1.276 1.00 0.00 H new ATOM 1051 N GLN A 495 2.280 -7.966 -1.520 1.00 0.00 N ATOM 1052 CA GLN A 495 2.419 -8.725 -2.751 1.00 0.00 C ATOM 1053 C GLN A 495 2.036 -7.898 -3.978 1.00 0.00 C ATOM 1054 O GLN A 495 2.701 -7.967 -5.013 1.00 0.00 O ATOM 1055 CB GLN A 495 1.565 -9.989 -2.679 1.00 0.00 C ATOM 1056 CG GLN A 495 0.213 -9.774 -2.043 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.931 -10.260 -2.912 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.945 -9.421 -3.074 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.902 -11.376 -3.430 1.00 0.00 N flip ATOM 0 H GLN A 495 1.568 -8.326 -0.884 1.00 0.00 H new ATOM 0 HA GLN A 495 3.469 -8.998 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.424 -10.379 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.105 -10.750 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.181 -10.293 -1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.079 -8.712 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.101 -11.988 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.679 -11.689 -4.012 1.00 0.00 H new ATOM 1068 N ILE A 496 0.956 -7.134 -3.865 1.00 0.00 N ATOM 1069 CA ILE A 496 0.478 -6.312 -4.972 1.00 0.00 C ATOM 1070 C ILE A 496 1.301 -5.037 -5.144 1.00 0.00 C ATOM 1071 O ILE A 496 1.694 -4.691 -6.257 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.006 -5.926 -4.772 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.910 -7.130 -5.034 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.392 -4.767 -5.679 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.176 -7.121 -4.205 1.00 0.00 C ATOM 0 H ILE A 496 0.393 -7.066 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 496 0.586 -6.917 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.138 -5.608 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.176 -7.152 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.355 -8.044 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.440 -4.514 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.771 -3.902 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.242 -5.054 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.771 -8.003 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.918 -7.130 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.752 -6.224 -4.430 1.00 0.00 H new ATOM 1087 N LEU A 497 1.526 -4.333 -4.040 1.00 0.00 N ATOM 1088 CA LEU A 497 2.270 -3.071 -4.044 1.00 0.00 C ATOM 1089 C LEU A 497 3.356 -3.019 -5.129 1.00 0.00 C ATOM 1090 O LEU A 497 3.303 -2.183 -6.029 1.00 0.00 O ATOM 1091 CB LEU A 497 2.907 -2.842 -2.668 1.00 0.00 C ATOM 1092 CG LEU A 497 2.530 -1.537 -1.944 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.109 -0.441 -2.915 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.431 -1.797 -0.931 1.00 0.00 C ATOM 0 H LEU A 497 1.200 -4.618 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 497 1.554 -2.281 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.638 -3.679 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.990 -2.866 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 497 3.421 -1.183 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.852 0.460 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.931 -0.224 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.242 -0.774 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.174 -0.866 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.551 -2.188 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.778 -2.524 -0.197 1.00 0.00 H new ATOM 1106 N LYS A 498 4.351 -3.892 -5.016 1.00 0.00 N ATOM 1107 CA LYS A 498 5.462 -3.917 -5.969 1.00 0.00 C ATOM 1108 C LYS A 498 4.995 -4.186 -7.392 1.00 0.00 C ATOM 1109 O LYS A 498 5.615 -3.729 -8.352 1.00 0.00 O ATOM 1110 CB LYS A 498 6.500 -4.963 -5.559 1.00 0.00 C ATOM 1111 CG LYS A 498 5.997 -6.395 -5.646 1.00 0.00 C ATOM 1112 CD LYS A 498 5.392 -6.857 -4.333 1.00 0.00 C ATOM 1113 CE LYS A 498 6.397 -6.753 -3.188 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.227 -7.858 -2.206 1.00 0.00 N ATOM 0 H LYS A 498 4.414 -4.592 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 498 5.917 -2.927 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.379 -4.857 -6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.820 -4.762 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.251 -6.472 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.821 -7.054 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.513 -6.254 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 498 5.054 -7.889 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.410 -6.775 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.275 -5.795 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.050 -7.888 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.364 -7.697 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 6.148 -8.763 -2.712 1.00 0.00 H new ATOM 1128 N ARG A 499 3.906 -4.924 -7.528 1.00 0.00 N ATOM 1129 CA ARG A 499 3.368 -5.245 -8.845 1.00 0.00 C ATOM 1130 C ARG A 499 3.101 -3.978 -9.651 1.00 0.00 C ATOM 1131 O ARG A 499 3.052 -4.008 -10.881 1.00 0.00 O ATOM 1132 CB ARG A 499 2.079 -6.050 -8.710 1.00 0.00 C ATOM 1133 CG ARG A 499 1.809 -6.950 -9.902 1.00 0.00 C ATOM 1134 CD ARG A 499 2.102 -8.404 -9.573 1.00 0.00 C ATOM 1135 NE ARG A 499 1.769 -9.295 -10.681 1.00 0.00 N ATOM 1136 CZ ARG A 499 2.046 -10.597 -10.695 1.00 0.00 C ATOM 1137 NH1 ARG A 499 2.661 -11.163 -9.664 1.00 0.00 N ATOM 1138 NH2 ARG A 499 1.707 -11.336 -11.743 1.00 0.00 N ATOM 0 H ARG A 499 3.377 -5.312 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 499 4.111 -5.842 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 499 2.131 -6.659 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.241 -5.364 -8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.768 -6.847 -10.210 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.424 -6.635 -10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.158 -8.514 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.535 -8.697 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 499 1.296 -8.896 -11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 499 2.924 -10.600 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 499 2.871 -12.161 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 499 1.234 -10.907 -12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 499 1.919 -12.334 -11.754 1.00 0.00 H new ATOM 1152 N LEU A 500 2.921 -2.871 -8.945 1.00 0.00 N ATOM 1153 CA LEU A 500 2.648 -1.588 -9.578 1.00 0.00 C ATOM 1154 C LEU A 500 3.806 -1.136 -10.451 1.00 0.00 C ATOM 1155 O LEU A 500 3.615 -0.716 -11.593 1.00 0.00 O ATOM 1156 CB LEU A 500 2.364 -0.540 -8.504 1.00 0.00 C ATOM 1157 CG LEU A 500 1.307 -0.953 -7.481 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.378 -0.072 -6.241 1.00 0.00 C ATOM 1159 CD2 LEU A 500 -0.074 -0.902 -8.114 1.00 0.00 C ATOM 0 H LEU A 500 2.959 -2.836 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 500 1.776 -1.705 -10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.292 -0.316 -7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.042 0.381 -8.989 1.00 0.00 H new ATOM 0 HG LEU A 500 1.504 -1.977 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.616 -0.386 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.363 -0.166 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.206 0.967 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.822 -1.198 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.281 0.113 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.110 -1.584 -8.963 1.00 0.00 H new ATOM 1171 N ASN A 501 5.003 -1.219 -9.902 1.00 0.00 N ATOM 1172 CA ASN A 501 6.203 -0.814 -10.615 1.00 0.00 C ATOM 1173 C ASN A 501 6.119 0.667 -10.981 1.00 0.00 C ATOM 1174 O ASN A 501 6.157 1.034 -12.155 1.00 0.00 O ATOM 1175 CB ASN A 501 6.380 -1.677 -11.864 1.00 0.00 C ATOM 1176 CG ASN A 501 7.534 -1.233 -12.735 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.364 -0.451 -13.671 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.720 -1.740 -12.431 1.00 0.00 N ATOM 0 H ASN A 501 5.172 -1.566 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 501 7.071 -0.957 -9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.538 -2.713 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.461 -1.651 -12.449 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.540 -1.486 -12.982 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.813 -2.385 -11.646 1.00 0.00 H new ATOM 1185 N PRO A 502 5.995 1.537 -9.965 1.00 0.00 N ATOM 1186 CA PRO A 502 5.897 2.969 -10.135 1.00 0.00 C ATOM 1187 C PRO A 502 7.230 3.655 -9.883 1.00 0.00 C ATOM 1188 O PRO A 502 8.286 3.023 -9.932 1.00 0.00 O ATOM 1189 CB PRO A 502 4.894 3.344 -9.039 1.00 0.00 C ATOM 1190 CG PRO A 502 5.006 2.266 -7.997 1.00 0.00 C ATOM 1191 CD PRO A 502 5.936 1.209 -8.543 1.00 0.00 C ATOM 0 HA PRO A 502 5.604 3.266 -11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.124 4.322 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.881 3.399 -9.438 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.393 2.673 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.027 1.840 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.920 1.255 -8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.550 0.204 -8.375 1.00 0.00 H new ATOM 1199 N GLU A 503 7.174 4.943 -9.593 1.00 0.00 N ATOM 1200 CA GLU A 503 8.362 5.712 -9.310 1.00 0.00 C ATOM 1201 C GLU A 503 8.271 6.307 -7.912 1.00 0.00 C ATOM 1202 O GLU A 503 7.201 6.738 -7.482 1.00 0.00 O ATOM 1203 CB GLU A 503 8.540 6.808 -10.353 1.00 0.00 C ATOM 1204 CG GLU A 503 9.621 6.493 -11.372 1.00 0.00 C ATOM 1205 CD GLU A 503 10.854 7.360 -11.202 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.859 8.493 -11.730 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.811 6.907 -10.542 1.00 0.00 O ATOM 0 H GLU A 503 6.307 5.478 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 503 9.232 5.056 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.594 6.964 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.785 7.743 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.904 5.444 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.220 6.631 -12.376 1.00 0.00 H new ATOM 1214 N ARG A 504 9.385 6.306 -7.196 1.00 0.00 N ATOM 1215 CA ARG A 504 9.403 6.828 -5.838 1.00 0.00 C ATOM 1216 C ARG A 504 9.477 8.349 -5.820 1.00 0.00 C ATOM 1217 O ARG A 504 10.259 8.961 -6.547 1.00 0.00 O ATOM 1218 CB ARG A 504 10.568 6.234 -5.054 1.00 0.00 C ATOM 1219 CG ARG A 504 11.933 6.652 -5.575 1.00 0.00 C ATOM 1220 CD ARG A 504 12.496 7.824 -4.786 1.00 0.00 C ATOM 1221 NE ARG A 504 13.809 8.234 -5.276 1.00 0.00 N ATOM 1222 CZ ARG A 504 13.996 8.976 -6.365 1.00 0.00 C ATOM 1223 NH1 ARG A 504 12.957 9.392 -7.080 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.224 9.305 -6.740 1.00 0.00 N ATOM 0 H ARG A 504 10.282 5.953 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 504 8.467 6.535 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.481 6.533 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.496 5.147 -5.082 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.620 5.808 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.854 6.925 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.807 8.666 -4.847 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.571 7.550 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 504 14.632 7.934 -4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.010 9.143 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 504 13.106 9.960 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.026 8.990 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 504 15.367 9.874 -7.575 1.00 0.00 H new ATOM 1238 N LYS A 505 8.649 8.942 -4.970 1.00 0.00 N ATOM 1239 CA LYS A 505 8.587 10.392 -4.815 1.00 0.00 C ATOM 1240 C LYS A 505 8.033 10.735 -3.439 1.00 0.00 C ATOM 1241 O LYS A 505 7.392 9.901 -2.803 1.00 0.00 O ATOM 1242 CB LYS A 505 7.704 11.023 -5.900 1.00 0.00 C ATOM 1243 CG LYS A 505 7.712 10.271 -7.222 1.00 0.00 C ATOM 1244 CD LYS A 505 6.772 10.909 -8.230 1.00 0.00 C ATOM 1245 CE LYS A 505 5.318 10.611 -7.904 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.415 11.721 -8.318 1.00 0.00 N ATOM 0 H LYS A 505 8.001 8.433 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 505 9.595 10.793 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.679 11.079 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.037 12.046 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.724 10.254 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.419 9.235 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.929 11.988 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.004 10.541 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.015 9.691 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.214 10.440 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.433 11.478 -8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.687 12.593 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.494 11.868 -9.344 1.00 0.00 H new ATOM 1260 N MET A 506 8.279 11.952 -2.973 1.00 0.00 N ATOM 1261 CA MET A 506 7.788 12.356 -1.662 1.00 0.00 C ATOM 1262 C MET A 506 6.491 13.150 -1.769 1.00 0.00 C ATOM 1263 O MET A 506 6.481 14.294 -2.221 1.00 0.00 O ATOM 1264 CB MET A 506 8.843 13.170 -0.911 1.00 0.00 C ATOM 1265 CG MET A 506 9.220 14.475 -1.588 1.00 0.00 C ATOM 1266 SD MET A 506 10.725 15.199 -0.905 1.00 0.00 S ATOM 1267 CE MET A 506 10.493 14.900 0.849 1.00 0.00 C ATOM 0 H MET A 506 8.807 12.667 -3.474 1.00 0.00 H new ATOM 0 HA MET A 506 7.581 11.445 -1.100 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.473 13.387 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.740 12.562 -0.794 1.00 0.00 H new ATOM 0 HG2 MET A 506 9.357 14.301 -2.655 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.399 15.185 -1.484 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.074 15.623 1.421 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.437 15.004 1.099 1.00 0.00 H new ATOM 0 HE3 MET A 506 10.826 13.891 1.093 1.00 0.00 H new ATOM 1277 N ILE A 507 5.399 12.531 -1.329 1.00 0.00 N ATOM 1278 CA ILE A 507 4.089 13.168 -1.348 1.00 0.00 C ATOM 1279 C ILE A 507 3.851 13.904 -0.031 1.00 0.00 C ATOM 1280 O ILE A 507 3.693 13.281 1.018 1.00 0.00 O ATOM 1281 CB ILE A 507 2.956 12.126 -1.568 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.832 11.700 -3.045 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.622 12.666 -1.072 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.516 12.625 -4.030 1.00 0.00 C ATOM 0 H ILE A 507 5.398 11.583 -0.953 1.00 0.00 H new ATOM 0 HA ILE A 507 4.072 13.875 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 507 3.225 11.242 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.250 10.699 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.775 11.635 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.844 11.920 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.693 12.889 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.373 13.576 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.376 12.246 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.084 13.623 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.581 12.673 -3.805 1.00 0.00 H new ATOM 1296 N ASN A 508 3.830 15.230 -0.093 1.00 0.00 N ATOM 1297 CA ASN A 508 3.615 16.042 1.098 1.00 0.00 C ATOM 1298 C ASN A 508 4.708 15.786 2.130 1.00 0.00 C ATOM 1299 O ASN A 508 4.443 15.738 3.332 1.00 0.00 O ATOM 1300 CB ASN A 508 2.243 15.744 1.704 1.00 0.00 C ATOM 1301 CG ASN A 508 1.732 16.882 2.567 1.00 0.00 C ATOM 1302 OD1 ASN A 508 0.575 17.425 2.207 1.00 0.00 O flip ATOM 1303 ND2 ASN A 508 2.371 17.269 3.545 1.00 0.00 N flip ATOM 0 H ASN A 508 3.959 15.764 -0.952 1.00 0.00 H new ATOM 0 HA ASN A 508 3.653 17.092 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.529 15.550 0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.303 14.836 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 508 3.256 16.823 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 508 2.015 18.036 4.115 1.00 0.00 H new ATOM 1310 N ASP A 509 5.940 15.622 1.650 1.00 0.00 N ATOM 1311 CA ASP A 509 7.087 15.370 2.523 1.00 0.00 C ATOM 1312 C ASP A 509 7.126 13.917 2.994 1.00 0.00 C ATOM 1313 O ASP A 509 7.910 13.566 3.875 1.00 0.00 O ATOM 1314 CB ASP A 509 7.065 16.309 3.733 1.00 0.00 C ATOM 1315 CG ASP A 509 8.437 16.485 4.354 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.179 17.385 3.910 1.00 0.00 O ATOM 1317 OD2 ASP A 509 8.768 15.722 5.286 1.00 0.00 O ATOM 0 H ASP A 509 6.170 15.659 0.657 1.00 0.00 H new ATOM 0 HA ASP A 509 7.987 15.563 1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.680 17.282 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.378 15.916 4.482 1.00 0.00 H new ATOM 1322 N LYS A 510 6.282 13.073 2.403 1.00 0.00 N ATOM 1323 CA LYS A 510 6.237 11.662 2.772 1.00 0.00 C ATOM 1324 C LYS A 510 6.645 10.777 1.603 1.00 0.00 C ATOM 1325 O LYS A 510 6.189 10.975 0.479 1.00 0.00 O ATOM 1326 CB LYS A 510 4.837 11.275 3.244 1.00 0.00 C ATOM 1327 CG LYS A 510 4.804 9.956 3.997 1.00 0.00 C ATOM 1328 CD LYS A 510 4.939 10.163 5.498 1.00 0.00 C ATOM 1329 CE LYS A 510 6.182 10.969 5.846 1.00 0.00 C ATOM 1330 NZ LYS A 510 7.433 10.211 5.567 1.00 0.00 N ATOM 0 H LYS A 510 5.624 13.341 1.671 1.00 0.00 H new ATOM 0 HA LYS A 510 6.944 11.511 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.446 12.063 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.174 11.210 2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.869 9.438 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.611 9.315 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 510 4.055 10.677 5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.982 9.195 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.185 11.897 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 510 6.152 11.245 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 8.126 10.840 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 7.826 9.850 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 7.222 9.413 4.934 1.00 0.00 H new ATOM 1344 N MET A 511 7.503 9.799 1.870 1.00 0.00 N ATOM 1345 CA MET A 511 7.960 8.894 0.824 1.00 0.00 C ATOM 1346 C MET A 511 6.798 8.087 0.253 1.00 0.00 C ATOM 1347 O MET A 511 6.267 7.189 0.905 1.00 0.00 O ATOM 1348 CB MET A 511 9.032 7.950 1.371 1.00 0.00 C ATOM 1349 CG MET A 511 10.107 7.597 0.356 1.00 0.00 C ATOM 1350 SD MET A 511 9.767 6.050 -0.506 1.00 0.00 S ATOM 1351 CE MET A 511 8.531 6.585 -1.687 1.00 0.00 C ATOM 0 H MET A 511 7.893 9.614 2.794 1.00 0.00 H new ATOM 0 HA MET A 511 8.388 9.494 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.502 8.411 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.555 7.033 1.716 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.192 8.403 -0.373 1.00 0.00 H new ATOM 0 HG3 MET A 511 11.069 7.522 0.863 1.00 0.00 H new ATOM 0 HE1 MET A 511 8.731 6.127 -2.656 1.00 0.00 H new ATOM 0 HE2 MET A 511 7.542 6.284 -1.340 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.567 7.670 -1.785 1.00 0.00 H new ATOM 1361 N HIS A 512 6.423 8.415 -0.977 1.00 0.00 N ATOM 1362 CA HIS A 512 5.340 7.740 -1.672 1.00 0.00 C ATOM 1363 C HIS A 512 5.837 7.153 -2.991 1.00 0.00 C ATOM 1364 O HIS A 512 6.734 7.704 -3.628 1.00 0.00 O ATOM 1365 CB HIS A 512 4.199 8.718 -1.956 1.00 0.00 C ATOM 1366 CG HIS A 512 3.241 8.894 -0.819 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.890 8.962 -0.808 1.00 0.00 N flip ATOM 1368 CD2 HIS A 512 3.641 9.046 0.491 1.00 0.00 C flip ATOM 1369 CE1 HIS A 512 1.502 9.153 0.494 1.00 0.00 C flip ATOM 1370 NE2 HIS A 512 2.576 9.199 1.259 1.00 0.00 N flip ATOM 0 H HIS A 512 6.863 9.158 -1.520 1.00 0.00 H new ATOM 0 HA HIS A 512 4.977 6.935 -1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.623 9.689 -2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.648 8.371 -2.830 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.664 9.041 0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.483 9.250 0.837 1.00 0.00 H new ATOM 0 HE2 HIS A 512 2.583 9.330 2.270 1.00 0.00 H new ATOM 1379 N PHE A 513 5.247 6.040 -3.399 1.00 0.00 N ATOM 1380 CA PHE A 513 5.622 5.385 -4.640 1.00 0.00 C ATOM 1381 C PHE A 513 4.392 5.175 -5.519 1.00 0.00 C ATOM 1382 O PHE A 513 3.418 4.561 -5.092 1.00 0.00 O ATOM 1383 CB PHE A 513 6.288 4.046 -4.328 1.00 0.00 C ATOM 1384 CG PHE A 513 5.979 3.528 -2.950 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.679 3.215 -2.587 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.988 3.367 -2.015 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.390 2.751 -1.318 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.708 2.900 -0.745 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.408 2.592 -0.396 1.00 0.00 C ATOM 0 H PHE A 513 4.502 5.570 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 513 6.326 6.017 -5.181 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.967 3.309 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.368 4.153 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.881 3.335 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 513 8.006 3.609 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.372 2.513 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.505 2.776 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.187 2.227 0.596 1.00 0.00 H new ATOM 1399 N SER A 514 4.431 5.698 -6.744 1.00 0.00 N ATOM 1400 CA SER A 514 3.297 5.567 -7.652 1.00 0.00 C ATOM 1401 C SER A 514 3.592 6.169 -9.024 1.00 0.00 C ATOM 1402 O SER A 514 4.584 6.874 -9.210 1.00 0.00 O ATOM 1403 CB SER A 514 2.071 6.243 -7.044 1.00 0.00 C ATOM 1404 OG SER A 514 1.030 5.309 -6.820 1.00 0.00 O ATOM 0 H SER A 514 5.226 6.210 -7.125 1.00 0.00 H new ATOM 0 HA SER A 514 3.105 4.503 -7.792 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.344 6.720 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.719 7.031 -7.710 1.00 0.00 H new ATOM 0 HG SER A 514 0.948 5.135 -5.859 1.00 0.00 H new ATOM 1410 N LEU A 515 2.699 5.896 -9.974 1.00 0.00 N ATOM 1411 CA LEU A 515 2.822 6.411 -11.324 1.00 0.00 C ATOM 1412 C LEU A 515 1.680 7.374 -11.603 1.00 0.00 C ATOM 1413 O LEU A 515 0.728 7.453 -10.827 1.00 0.00 O ATOM 1414 CB LEU A 515 2.818 5.289 -12.368 1.00 0.00 C ATOM 1415 CG LEU A 515 1.563 4.423 -12.373 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.416 3.669 -13.685 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.611 3.461 -11.213 1.00 0.00 C ATOM 0 H LEU A 515 1.875 5.313 -9.824 1.00 0.00 H new ATOM 0 HA LEU A 515 3.779 6.928 -11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 515 2.941 5.732 -13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.683 4.649 -12.196 1.00 0.00 H new ATOM 0 HG LEU A 515 0.694 5.072 -12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.512 3.061 -13.656 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.349 4.381 -14.508 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.282 3.024 -13.833 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.714 2.842 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.491 2.825 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.662 4.020 -10.279 1.00 0.00 H new ATOM 1429 N LYS A 516 1.765 8.099 -12.706 1.00 0.00 N ATOM 1430 CA LYS A 516 0.717 9.039 -13.055 1.00 0.00 C ATOM 1431 C LYS A 516 0.469 9.061 -14.556 1.00 0.00 C ATOM 1432 O LYS A 516 1.270 9.595 -15.324 1.00 0.00 O ATOM 1433 CB LYS A 516 1.041 10.442 -12.543 1.00 0.00 C ATOM 1434 CG LYS A 516 2.346 10.519 -11.783 1.00 0.00 C ATOM 1435 CD LYS A 516 3.526 10.305 -12.710 1.00 0.00 C ATOM 1436 CE LYS A 516 4.646 9.540 -12.023 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.989 10.057 -12.409 1.00 0.00 N ATOM 0 H LYS A 516 2.540 8.055 -13.368 1.00 0.00 H new ATOM 0 HA LYS A 516 -0.198 8.702 -12.568 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.081 11.129 -13.389 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.232 10.780 -11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.432 11.491 -11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.357 9.767 -10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.200 9.758 -13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 516 3.900 11.270 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 516 4.526 9.613 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.576 8.483 -12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.726 9.509 -11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.114 9.964 -13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.066 11.059 -12.140 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.650 8.473 -14.968 1.00 0.00 N ATOM 1452 CA GLU A 517 -1.015 8.419 -16.367 1.00 0.00 C ATOM 1453 C GLU A 517 -1.624 9.742 -16.820 1.00 0.00 C ATOM 1454 O GLU A 517 -1.053 10.373 -17.735 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.012 7.278 -16.597 1.00 0.00 C ATOM 1456 CG GLU A 517 -1.383 5.891 -16.710 1.00 0.00 C ATOM 1457 CD GLU A 517 -0.106 5.882 -17.529 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -0.133 6.373 -18.678 1.00 0.00 O ATOM 1459 OE2 GLU A 517 0.922 5.385 -17.022 1.00 0.00 O ATOM 1460 OXT GLU A 517 -2.667 10.136 -16.258 1.00 0.00 O ATOM 0 H GLU A 517 -1.320 8.026 -14.342 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.115 8.238 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.730 7.270 -15.777 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.573 7.483 -17.509 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -1.169 5.513 -15.710 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.102 5.208 -17.162 1.00 0.00 H new TER 1467 GLU A 517