USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, 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 Set 1.1: A 470 THR OG1 : rot 130:sc= 0.527 USER MOD Set 1.2: A 471 LYS NZ :NH3+ -131:sc= -0.273 (180deg=-5.64!) USER MOD Single : A 453 GLN : amide:sc= -0.0532 X(o=-0.053,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 462 TYR OH : rot -176:sc= 0.597 USER MOD Single : A 464 THR OG1 : rot -75:sc= 0.163 USER MOD Single : A 466 LYS NZ :NH3+ 160:sc= -1.09 (180deg=-1.71) USER MOD Single : A 468 MET CE :methyl -108:sc= -15.3! (180deg=-22.3!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 1.02 USER MOD Single : A 475 LYS NZ :NH3+ -135:sc= 1.03 (180deg=-0.925) USER MOD Single : A 476 LYS NZ :NH3+ 173:sc= -1.81! (180deg=-1.99!) USER MOD Single : A 478 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 479 THR OG1 : rot -33:sc= 1.07 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 158:sc= 0.386 (180deg=0.155) USER MOD Single : A 482 THR OG1 : rot -77:sc= 0.528 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 :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 489 THR OG1 : rot 64:sc= 0.0509 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 495 GLN :FLIP amide:sc= -3.05 F(o=-4.9!,f=-3.1) USER MOD Single : A 498 LYS NZ :NH3+ 158:sc= -3.75! (180deg=-4.52!) USER MOD Single : A 501 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.7!) USER MOD Single : A 505 LYS NZ :NH3+ 139:sc= -1.65 (180deg=-4.18!) USER MOD Single : A 506 MET CE :methyl -167:sc= -1.87! (180deg=-2.24!) USER MOD Single : A 508 ASN : amide:sc= 0.442 X(o=0.44,f=0) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -171:sc= -6.6 (180deg=-6.71) USER MOD Single : A 512 HIS : no HE2:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 514 SER OG : rot 65:sc= -3.85! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS :FLIP no HD1:sc= -6.24! C(o=-7.1!,f=-6.2!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 -3.696 -6.106 22.991 1.00 0.00 N ATOM 2 CA GLU B 582 -2.356 -5.640 23.431 1.00 0.00 C ATOM 3 C GLU B 582 -1.326 -5.786 22.315 1.00 0.00 C ATOM 4 O GLU B 582 -0.837 -4.795 21.774 1.00 0.00 O ATOM 5 CB GLU B 582 -1.932 -6.459 24.651 1.00 0.00 C ATOM 6 CG GLU B 582 -0.580 -6.053 25.217 1.00 0.00 C ATOM 7 CD GLU B 582 -0.557 -6.060 26.732 1.00 0.00 C ATOM 8 OE1 GLU B 582 -1.243 -6.912 27.333 1.00 0.00 O ATOM 9 OE2 GLU B 582 0.147 -5.211 27.320 1.00 0.00 O ATOM 0 HA GLU B 582 -2.412 -4.582 23.688 1.00 0.00 H new ATOM 0 HB2 GLU B 582 -2.688 -6.355 25.429 1.00 0.00 H new ATOM 0 HB3 GLU B 582 -1.900 -7.514 24.377 1.00 0.00 H new ATOM 0 HG2 GLU B 582 0.185 -6.733 24.843 1.00 0.00 H new ATOM 0 HG3 GLU B 582 -0.324 -5.056 24.858 1.00 0.00 H new ATOM 18 N ASP B 583 -1.002 -7.029 21.976 1.00 0.00 N ATOM 19 CA ASP B 583 -0.031 -7.307 20.925 1.00 0.00 C ATOM 20 C ASP B 583 -0.509 -6.758 19.584 1.00 0.00 C ATOM 21 O ASP B 583 -1.108 -7.477 18.785 1.00 0.00 O ATOM 22 CB ASP B 583 0.215 -8.812 20.813 1.00 0.00 C ATOM 23 CG ASP B 583 1.292 -9.149 19.801 1.00 0.00 C ATOM 24 OD1 ASP B 583 1.022 -9.036 18.586 1.00 0.00 O ATOM 25 OD2 ASP B 583 2.407 -9.523 20.222 1.00 0.00 O ATOM 0 H ASP B 583 -1.398 -7.860 22.414 1.00 0.00 H new ATOM 0 HA ASP B 583 0.904 -6.812 21.189 1.00 0.00 H new ATOM 0 HB2 ASP B 583 0.502 -9.204 21.789 1.00 0.00 H new ATOM 0 HB3 ASP B 583 -0.713 -9.309 20.531 1.00 0.00 H new HETATM 30 N TPO B 584 -0.239 -5.479 19.344 1.00 0.00 N HETATM 31 CA TPO B 584 -0.641 -4.833 18.100 1.00 0.00 C HETATM 32 CB TPO B 584 -1.243 -3.454 18.385 1.00 0.00 C HETATM 33 CG2 TPO B 584 -1.547 -2.660 17.128 1.00 0.00 C HETATM 34 OG1 TPO B 584 -2.449 -3.615 19.135 1.00 0.00 O HETATM 35 P TPO B 584 -2.598 -2.324 20.088 1.00 0.00 P HETATM 36 O1P TPO B 584 -1.736 -2.488 21.279 1.00 0.00 O HETATM 37 O2P TPO B 584 -2.150 -1.005 19.283 1.00 0.00 O HETATM 38 O3P TPO B 584 -4.132 -2.175 20.552 1.00 0.00 O HETATM 39 C TPO B 584 0.555 -4.689 17.162 1.00 0.00 C HETATM 40 O TPO B 584 0.997 -3.576 16.872 1.00 0.00 O HETATM 0 HG23 TPO B 584 -0.627 -2.506 16.564 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -2.261 -3.209 16.515 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -1.971 -1.694 17.402 1.00 0.00 H new HETATM 0 HB TPO B 584 -0.497 -2.892 18.947 1.00 0.00 H new HETATM 0 HA TPO B 584 -1.394 -5.457 17.619 1.00 0.00 H new HETATM 0 H TPO B 584 -0.378 -5.002 20.235 1.00 0.00 H new ATOM 47 N ASP B 585 1.079 -5.814 16.686 1.00 0.00 N ATOM 48 CA ASP B 585 2.210 -5.797 15.790 1.00 0.00 C ATOM 49 C ASP B 585 1.760 -5.613 14.341 1.00 0.00 C ATOM 50 O ASP B 585 2.179 -6.353 13.451 1.00 0.00 O ATOM 51 CB ASP B 585 2.990 -7.100 15.936 1.00 0.00 C ATOM 52 CG ASP B 585 2.102 -8.326 15.835 1.00 0.00 C ATOM 53 OD1 ASP B 585 1.118 -8.284 15.068 1.00 0.00 O ATOM 54 OD2 ASP B 585 2.392 -9.326 16.525 1.00 0.00 O ATOM 0 H ASP B 585 0.732 -6.746 16.911 1.00 0.00 H new ATOM 0 HA ASP B 585 2.851 -4.955 16.051 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.758 -7.148 15.164 1.00 0.00 H new ATOM 0 HB3 ASP B 585 3.503 -7.106 16.897 1.00 0.00 H new ATOM 59 N GLU B 586 0.912 -4.614 14.113 1.00 0.00 N ATOM 60 CA GLU B 586 0.415 -4.318 12.781 1.00 0.00 C ATOM 61 C GLU B 586 1.383 -3.405 12.041 1.00 0.00 C ATOM 62 O GLU B 586 1.575 -3.523 10.833 1.00 0.00 O ATOM 63 CB GLU B 586 -0.967 -3.666 12.860 1.00 0.00 C ATOM 64 CG GLU B 586 -0.963 -2.318 13.562 1.00 0.00 C ATOM 65 CD GLU B 586 -0.768 -1.160 12.603 1.00 0.00 C ATOM 66 OE1 GLU B 586 -1.335 -1.209 11.491 1.00 0.00 O ATOM 67 OE2 GLU B 586 -0.049 -0.205 12.964 1.00 0.00 O ATOM 0 H GLU B 586 0.555 -3.995 14.841 1.00 0.00 H new ATOM 0 HA GLU B 586 0.330 -5.255 12.231 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -1.358 -3.540 11.851 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -1.647 -4.337 13.384 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -1.905 -2.188 14.096 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.169 -2.304 14.309 1.00 0.00 H new ATOM 74 N ASP B 587 1.981 -2.483 12.787 1.00 0.00 N ATOM 75 CA ASP B 587 2.924 -1.531 12.228 1.00 0.00 C ATOM 76 C ASP B 587 4.330 -2.121 12.144 1.00 0.00 C ATOM 77 O ASP B 587 5.158 -1.664 11.357 1.00 0.00 O ATOM 78 CB ASP B 587 2.937 -0.259 13.075 1.00 0.00 C ATOM 79 CG ASP B 587 2.793 0.996 12.237 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.701 1.277 11.427 1.00 0.00 O ATOM 81 OD2 ASP B 587 1.772 1.699 12.391 1.00 0.00 O ATOM 0 H ASP B 587 1.825 -2.377 13.789 1.00 0.00 H new ATOM 0 HA ASP B 587 2.603 -1.291 11.214 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.126 -0.302 13.802 1.00 0.00 H new ATOM 0 HB3 ASP B 587 3.869 -0.211 13.639 1.00 0.00 H new ATOM 86 N ASP B 588 4.594 -3.132 12.963 1.00 0.00 N ATOM 87 CA ASP B 588 5.901 -3.778 12.985 1.00 0.00 C ATOM 88 C ASP B 588 6.313 -4.242 11.597 1.00 0.00 C ATOM 89 O ASP B 588 7.382 -3.887 11.099 1.00 0.00 O ATOM 90 CB ASP B 588 5.885 -4.956 13.945 1.00 0.00 C ATOM 91 CG ASP B 588 7.272 -5.330 14.429 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.902 -4.504 15.122 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.729 -6.450 14.113 1.00 0.00 O ATOM 0 H ASP B 588 3.920 -3.523 13.621 1.00 0.00 H new ATOM 0 HA ASP B 588 6.632 -3.045 13.326 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.258 -4.713 14.803 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.432 -5.816 13.452 1.00 0.00 H new ATOM 98 N HIS B 589 5.458 -5.036 10.981 1.00 0.00 N ATOM 99 CA HIS B 589 5.710 -5.561 9.653 1.00 0.00 C ATOM 100 C HIS B 589 5.386 -4.526 8.579 1.00 0.00 C ATOM 101 O HIS B 589 5.884 -4.606 7.455 1.00 0.00 O ATOM 102 CB HIS B 589 4.885 -6.826 9.426 1.00 0.00 C ATOM 103 CG HIS B 589 3.471 -6.724 9.906 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.537 -5.763 9.714 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.871 -7.690 10.686 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 1.401 -6.163 10.374 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.629 -7.329 10.950 1.00 0.00 N flip ATOM 0 H HIS B 589 4.571 -5.335 11.386 1.00 0.00 H new ATOM 0 HA HIS B 589 6.770 -5.803 9.580 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.881 -7.059 8.361 1.00 0.00 H new ATOM 0 HB3 HIS B 589 5.371 -7.660 9.932 1.00 0.00 H new ATOM 0 HD2 HIS B 589 3.343 -8.599 11.027 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.472 -5.613 10.415 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.959 -7.861 11.505 1.00 0.00 H new ATOM 116 N LEU B 590 4.547 -3.558 8.930 1.00 0.00 N ATOM 117 CA LEU B 590 4.148 -2.507 7.996 1.00 0.00 C ATOM 118 C LEU B 590 5.362 -1.905 7.294 1.00 0.00 C ATOM 119 O LEU B 590 5.290 -1.511 6.133 1.00 0.00 O ATOM 120 CB LEU B 590 3.372 -1.413 8.729 1.00 0.00 C ATOM 121 CG LEU B 590 3.095 -0.153 7.910 1.00 0.00 C ATOM 122 CD1 LEU B 590 2.036 -0.424 6.852 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.670 0.986 8.823 1.00 0.00 C ATOM 0 H LEU B 590 4.128 -3.478 9.857 1.00 0.00 H new ATOM 0 HA LEU B 590 3.504 -2.956 7.240 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.420 -1.826 9.063 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.929 -1.131 9.623 1.00 0.00 H new ATOM 0 HG LEU B 590 4.013 0.140 7.400 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.853 0.485 6.279 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.384 -1.211 6.182 1.00 0.00 H new ATOM 0 HD13 LEU B 590 1.112 -0.741 7.335 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.476 1.877 8.226 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.764 0.704 9.359 1.00 0.00 H new ATOM 0 HD23 LEU B 590 3.465 1.195 9.539 1.00 0.00 H new ATOM 135 N ILE B 591 6.477 -1.834 8.003 1.00 0.00 N ATOM 136 CA ILE B 591 7.693 -1.290 7.435 1.00 0.00 C ATOM 137 C ILE B 591 8.466 -2.376 6.682 1.00 0.00 C ATOM 138 O ILE B 591 9.176 -2.092 5.718 1.00 0.00 O ATOM 139 CB ILE B 591 8.583 -0.642 8.515 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.862 0.561 9.129 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.924 -0.217 7.928 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.655 1.250 10.218 1.00 0.00 C ATOM 0 H ILE B 591 6.562 -2.146 8.970 1.00 0.00 H new ATOM 0 HA ILE B 591 7.408 -0.509 6.730 1.00 0.00 H new ATOM 0 HB ILE B 591 8.775 -1.378 9.296 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.639 1.281 8.342 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.907 0.232 9.539 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.535 0.237 8.708 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.439 -1.090 7.527 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.759 0.506 7.129 1.00 0.00 H new ATOM 0 HD11 ILE B 591 8.083 2.092 10.607 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.855 0.544 11.024 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.599 1.610 9.808 1.00 0.00 H new ATOM 154 N TYR B 592 8.318 -3.621 7.135 1.00 0.00 N ATOM 155 CA TYR B 592 8.996 -4.756 6.510 1.00 0.00 C ATOM 156 C TYR B 592 8.521 -4.959 5.079 1.00 0.00 C ATOM 157 O TYR B 592 9.313 -5.258 4.186 1.00 0.00 O ATOM 158 CB TYR B 592 8.781 -6.031 7.348 1.00 0.00 C ATOM 159 CG TYR B 592 8.345 -7.239 6.545 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.074 -7.299 5.992 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.207 -8.306 6.324 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.671 -8.382 5.244 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.810 -9.399 5.578 1.00 0.00 C ATOM 164 CZ TYR B 592 7.541 -9.433 5.039 1.00 0.00 C ATOM 165 OH TYR B 592 7.142 -10.517 4.292 1.00 0.00 O ATOM 0 H TYR B 592 7.734 -3.869 7.934 1.00 0.00 H new ATOM 0 HA TYR B 592 10.064 -4.540 6.474 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.709 -6.271 7.868 1.00 0.00 H new ATOM 0 HB3 TYR B 592 8.031 -5.827 8.112 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.388 -6.480 6.151 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.203 -8.281 6.742 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.678 -8.409 4.820 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.490 -10.223 5.418 1.00 0.00 H new ATOM 0 HH TYR B 592 7.873 -11.168 4.243 1.00 0.00 H new ATOM 175 N LEU B 593 7.228 -4.801 4.867 1.00 0.00 N ATOM 176 CA LEU B 593 6.660 -4.970 3.538 1.00 0.00 C ATOM 177 C LEU B 593 6.886 -3.717 2.705 1.00 0.00 C ATOM 178 O LEU B 593 6.795 -3.745 1.478 1.00 0.00 O ATOM 179 CB LEU B 593 5.170 -5.352 3.616 1.00 0.00 C ATOM 180 CG LEU B 593 4.141 -4.226 3.440 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.378 -3.125 4.448 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.151 -3.680 2.021 1.00 0.00 C ATOM 0 H LEU B 593 6.553 -4.557 5.592 1.00 0.00 H new ATOM 0 HA LEU B 593 7.171 -5.795 3.041 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.976 -6.108 2.855 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.993 -5.822 4.584 1.00 0.00 H new ATOM 0 HG LEU B 593 3.152 -4.646 3.620 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.639 -2.337 4.307 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.289 -3.529 5.456 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.378 -2.714 4.309 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.411 -2.885 1.932 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.140 -3.283 1.791 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.910 -4.480 1.321 1.00 0.00 H new ATOM 194 N GLU B 594 7.183 -2.613 3.376 1.00 0.00 N ATOM 195 CA GLU B 594 7.424 -1.365 2.685 1.00 0.00 C ATOM 196 C GLU B 594 8.646 -1.473 1.779 1.00 0.00 C ATOM 197 O GLU B 594 8.724 -0.813 0.742 1.00 0.00 O ATOM 198 CB GLU B 594 7.608 -0.232 3.685 1.00 0.00 C ATOM 199 CG GLU B 594 7.950 1.105 3.046 1.00 0.00 C ATOM 200 CD GLU B 594 7.894 2.256 4.033 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.890 1.991 5.254 1.00 0.00 O ATOM 202 OE2 GLU B 594 7.856 3.420 3.586 1.00 0.00 O ATOM 0 H GLU B 594 7.261 -2.561 4.392 1.00 0.00 H new ATOM 0 HA GLU B 594 6.555 -1.147 2.064 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.693 -0.122 4.267 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.399 -0.502 4.384 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.949 1.051 2.613 1.00 0.00 H new ATOM 0 HG3 GLU B 594 7.257 1.300 2.227 1.00 0.00 H new ATOM 209 N GLU B 595 9.604 -2.302 2.185 1.00 0.00 N ATOM 210 CA GLU B 595 10.834 -2.491 1.420 1.00 0.00 C ATOM 211 C GLU B 595 10.644 -3.454 0.255 1.00 0.00 C ATOM 212 O GLU B 595 11.041 -3.161 -0.873 1.00 0.00 O ATOM 213 CB GLU B 595 11.968 -2.968 2.333 1.00 0.00 C ATOM 214 CG GLU B 595 11.607 -4.157 3.205 1.00 0.00 C ATOM 215 CD GLU B 595 12.811 -4.744 3.916 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.642 -3.959 4.421 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.925 -5.986 3.966 1.00 0.00 O ATOM 0 H GLU B 595 9.552 -2.855 3.041 1.00 0.00 H new ATOM 0 HA GLU B 595 11.103 -1.523 0.998 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.828 -3.231 1.718 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.275 -2.142 2.974 1.00 0.00 H new ATOM 0 HG2 GLU B 595 10.867 -3.850 3.944 1.00 0.00 H new ATOM 0 HG3 GLU B 595 11.142 -4.927 2.589 1.00 0.00 H new ATOM 224 N ILE B 596 10.031 -4.596 0.526 1.00 0.00 N ATOM 225 CA ILE B 596 9.787 -5.595 -0.521 1.00 0.00 C ATOM 226 C ILE B 596 9.090 -4.967 -1.718 1.00 0.00 C ATOM 227 O ILE B 596 9.214 -5.440 -2.848 1.00 0.00 O ATOM 228 CB ILE B 596 8.942 -6.785 -0.016 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.730 -6.295 0.769 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.779 -7.712 0.843 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.501 -6.091 -0.084 1.00 0.00 C ATOM 0 H ILE B 596 9.693 -4.859 1.452 1.00 0.00 H new ATOM 0 HA ILE B 596 10.766 -5.972 -0.817 1.00 0.00 H new ATOM 0 HB ILE B 596 8.591 -7.339 -0.886 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.501 -7.015 1.555 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.981 -5.355 1.260 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.164 -8.543 1.188 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.613 -8.097 0.257 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.163 -7.163 1.703 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.678 -5.742 0.540 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.712 -5.349 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.224 -7.034 -0.555 1.00 0.00 H new ATOM 243 N LEU B 597 8.358 -3.900 -1.453 1.00 0.00 N ATOM 244 CA LEU B 597 7.628 -3.184 -2.484 1.00 0.00 C ATOM 245 C LEU B 597 8.555 -2.453 -3.428 1.00 0.00 C ATOM 246 O LEU B 597 8.855 -2.917 -4.528 1.00 0.00 O ATOM 247 CB LEU B 597 6.684 -2.181 -1.829 1.00 0.00 C ATOM 248 CG LEU B 597 6.210 -1.037 -2.736 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.337 -1.566 -3.856 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.474 0.012 -1.924 1.00 0.00 C ATOM 0 H LEU B 597 8.253 -3.506 -0.518 1.00 0.00 H new ATOM 0 HA LEU B 597 7.067 -3.916 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.809 -2.717 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.183 -1.751 -0.960 1.00 0.00 H new ATOM 0 HG LEU B 597 7.085 -0.568 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.012 -0.738 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU B 597 5.905 -2.277 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.464 -2.064 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.145 0.816 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.607 -0.442 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.141 0.416 -1.162 1.00 0.00 H new ATOM 262 N VAL B 598 8.966 -1.281 -2.993 1.00 0.00 N ATOM 263 CA VAL B 598 9.813 -0.428 -3.779 1.00 0.00 C ATOM 264 C VAL B 598 10.854 0.239 -2.897 1.00 0.00 C ATOM 265 O VAL B 598 11.307 1.349 -3.174 1.00 0.00 O ATOM 266 CB VAL B 598 8.977 0.653 -4.489 1.00 0.00 C ATOM 267 CG1 VAL B 598 7.926 0.032 -5.402 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.314 1.559 -3.465 1.00 0.00 C ATOM 0 H VAL B 598 8.718 -0.897 -2.081 1.00 0.00 H new ATOM 0 HA VAL B 598 10.315 -1.042 -4.527 1.00 0.00 H new ATOM 0 HB VAL B 598 9.650 1.246 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.353 0.822 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.417 -0.578 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.255 -0.592 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL B 598 7.726 2.319 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.661 0.967 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.079 2.042 -2.857 1.00 0.00 H new ATOM 278 N ARG B 599 11.215 -0.450 -1.829 1.00 0.00 N ATOM 279 CA ARG B 599 12.193 0.068 -0.891 1.00 0.00 C ATOM 280 C ARG B 599 13.085 -1.045 -0.352 1.00 0.00 C ATOM 281 O ARG B 599 13.432 -1.061 0.829 1.00 0.00 O ATOM 282 CB ARG B 599 11.495 0.793 0.263 1.00 0.00 C ATOM 283 CG ARG B 599 11.017 2.189 -0.100 1.00 0.00 C ATOM 284 CD ARG B 599 10.831 3.056 1.136 1.00 0.00 C ATOM 285 NE ARG B 599 11.541 4.328 1.023 1.00 0.00 N ATOM 286 CZ ARG B 599 12.848 4.468 1.231 1.00 0.00 C ATOM 287 NH1 ARG B 599 13.591 3.420 1.563 1.00 0.00 N ATOM 288 NH2 ARG B 599 13.414 5.661 1.108 1.00 0.00 N ATOM 0 H ARG B 599 10.845 -1.370 -1.590 1.00 0.00 H new ATOM 0 HA ARG B 599 12.824 0.779 -1.424 1.00 0.00 H new ATOM 0 HB2 ARG B 599 10.642 0.199 0.592 1.00 0.00 H new ATOM 0 HB3 ARG B 599 12.181 0.860 1.107 1.00 0.00 H new ATOM 0 HG2 ARG B 599 11.738 2.658 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG B 599 10.074 2.122 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG B 599 9.769 3.246 1.289 1.00 0.00 H new ATOM 0 HD3 ARG B 599 11.189 2.518 2.014 1.00 0.00 H new ATOM 0 HE ARG B 599 11.004 5.157 0.770 1.00 0.00 H new ATOM 0 HH11 ARG B 599 13.161 2.500 1.660 1.00 0.00 H new ATOM 0 HH12 ARG B 599 14.592 3.534 1.721 1.00 0.00 H new ATOM 0 HH21 ARG B 599 12.848 6.470 0.854 1.00 0.00 H new ATOM 0 HH22 ARG B 599 14.416 5.769 1.267 1.00 0.00 H new ATOM 302 N VAL B 600 13.454 -1.976 -1.227 1.00 0.00 N ATOM 303 CA VAL B 600 14.306 -3.093 -0.840 1.00 0.00 C ATOM 304 C VAL B 600 15.650 -2.601 -0.310 1.00 0.00 C ATOM 305 O VAL B 600 16.188 -3.236 0.620 1.00 0.00 O ATOM 306 CB VAL B 600 14.548 -4.052 -2.023 1.00 0.00 C ATOM 307 CG1 VAL B 600 15.258 -3.334 -3.161 1.00 0.00 C ATOM 308 CG2 VAL B 600 15.341 -5.270 -1.574 1.00 0.00 C ATOM 309 OXT VAL B 600 16.155 -1.584 -0.833 1.00 0.00 O ATOM 0 H VAL B 600 13.176 -1.978 -2.208 1.00 0.00 H new ATOM 0 HA VAL B 600 13.784 -3.632 -0.049 1.00 0.00 H new ATOM 0 HB VAL B 600 13.580 -4.394 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL B 600 15.419 -4.029 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL B 600 14.645 -2.500 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL B 600 16.219 -2.958 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL B 600 15.501 -5.934 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL B 600 16.305 -4.951 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL B 600 14.787 -5.800 -0.799 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -17.982 -5.869 -0.413 1.00 0.00 N ATOM 321 CA ASP A 451 -16.708 -6.411 0.129 1.00 0.00 C ATOM 322 C ASP A 451 -15.562 -6.226 -0.861 1.00 0.00 C ATOM 323 O ASP A 451 -15.233 -7.135 -1.623 1.00 0.00 O ATOM 324 CB ASP A 451 -16.905 -7.892 0.444 1.00 0.00 C ATOM 325 CG ASP A 451 -16.744 -8.196 1.921 1.00 0.00 C ATOM 326 OD1 ASP A 451 -17.483 -7.602 2.733 1.00 0.00 O ATOM 327 OD2 ASP A 451 -15.878 -9.028 2.264 1.00 0.00 O ATOM 0 HA ASP A 451 -16.444 -5.867 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.898 -8.201 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -16.186 -8.481 -0.126 1.00 0.00 H new ATOM 334 N VAL A 452 -14.958 -5.041 -0.846 1.00 0.00 N ATOM 335 CA VAL A 452 -13.850 -4.739 -1.743 1.00 0.00 C ATOM 336 C VAL A 452 -12.658 -5.649 -1.469 1.00 0.00 C ATOM 337 O VAL A 452 -12.169 -5.725 -0.342 1.00 0.00 O ATOM 338 CB VAL A 452 -13.409 -3.266 -1.620 1.00 0.00 C ATOM 339 CG1 VAL A 452 -13.013 -2.943 -0.188 1.00 0.00 C ATOM 340 CG2 VAL A 452 -12.264 -2.964 -2.580 1.00 0.00 C ATOM 0 H VAL A 452 -15.218 -4.276 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.207 -4.914 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.254 -2.632 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -12.705 -1.899 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -13.864 -3.113 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.186 -3.585 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -11.969 -1.920 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.415 -3.606 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.589 -3.150 -3.604 1.00 0.00 H new ATOM 350 N GLN A 453 -12.195 -6.336 -2.507 1.00 0.00 N ATOM 351 CA GLN A 453 -11.056 -7.242 -2.380 1.00 0.00 C ATOM 352 C GLN A 453 -9.780 -6.578 -2.881 1.00 0.00 C ATOM 353 O GLN A 453 -9.767 -5.958 -3.945 1.00 0.00 O ATOM 354 CB GLN A 453 -11.303 -8.546 -3.144 1.00 0.00 C ATOM 355 CG GLN A 453 -12.715 -8.692 -3.690 1.00 0.00 C ATOM 356 CD GLN A 453 -13.056 -10.125 -4.048 1.00 0.00 C ATOM 357 OE1 GLN A 453 -13.345 -10.437 -5.204 1.00 0.00 O ATOM 358 NE2 GLN A 453 -13.026 -11.006 -3.055 1.00 0.00 N ATOM 0 H GLN A 453 -12.590 -6.284 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.937 -7.478 -1.323 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -10.597 -8.608 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -11.093 -9.387 -2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.427 -8.327 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.825 -8.064 -4.574 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -12.781 -10.704 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -13.248 -11.985 -3.235 1.00 0.00 H new ATOM 367 N VAL A 454 -8.707 -6.708 -2.108 1.00 0.00 N ATOM 368 CA VAL A 454 -7.428 -6.118 -2.477 1.00 0.00 C ATOM 369 C VAL A 454 -6.862 -6.782 -3.720 1.00 0.00 C ATOM 370 O VAL A 454 -6.557 -7.975 -3.717 1.00 0.00 O ATOM 371 CB VAL A 454 -6.414 -6.205 -1.314 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.994 -6.460 -1.812 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.475 -4.931 -0.498 1.00 0.00 C ATOM 0 H VAL A 454 -8.699 -7.216 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.604 -5.065 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.686 -7.054 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.314 -6.514 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.964 -7.402 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.688 -5.647 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.760 -4.990 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.228 -4.080 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.480 -4.804 -0.096 1.00 0.00 H new ATOM 383 N THR A 455 -6.739 -6.005 -4.786 1.00 0.00 N ATOM 384 CA THR A 455 -6.225 -6.526 -6.037 1.00 0.00 C ATOM 385 C THR A 455 -5.146 -5.648 -6.631 1.00 0.00 C ATOM 386 O THR A 455 -4.926 -4.517 -6.201 1.00 0.00 O ATOM 387 CB THR A 455 -7.357 -6.686 -7.034 1.00 0.00 C ATOM 388 OG1 THR A 455 -8.102 -5.485 -7.147 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.306 -7.784 -6.632 1.00 0.00 C ATOM 0 H THR A 455 -6.988 -5.016 -4.807 1.00 0.00 H new ATOM 0 HA THR A 455 -5.775 -7.495 -5.820 1.00 0.00 H new ATOM 0 HB THR A 455 -6.894 -6.938 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.826 -5.609 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 455 -9.102 -7.866 -7.372 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.766 -8.729 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.738 -7.553 -5.658 1.00 0.00 H new ATOM 397 N GLU A 456 -4.495 -6.191 -7.642 1.00 0.00 N ATOM 398 CA GLU A 456 -3.441 -5.500 -8.350 1.00 0.00 C ATOM 399 C GLU A 456 -4.008 -4.344 -9.157 1.00 0.00 C ATOM 400 O GLU A 456 -3.556 -3.206 -9.045 1.00 0.00 O ATOM 401 CB GLU A 456 -2.749 -6.486 -9.279 1.00 0.00 C ATOM 402 CG GLU A 456 -1.577 -7.209 -8.636 1.00 0.00 C ATOM 403 CD GLU A 456 -0.801 -8.055 -9.628 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.875 -7.765 -10.839 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.121 -9.007 -9.191 1.00 0.00 O ATOM 0 H GLU A 456 -4.685 -7.129 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.727 -5.097 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.476 -7.223 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.396 -5.954 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.907 -6.478 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.944 -7.845 -7.830 1.00 0.00 H new ATOM 412 N ASP A 457 -4.995 -4.662 -9.979 1.00 0.00 N ATOM 413 CA ASP A 457 -5.642 -3.674 -10.838 1.00 0.00 C ATOM 414 C ASP A 457 -6.213 -2.504 -10.041 1.00 0.00 C ATOM 415 O ASP A 457 -6.337 -1.392 -10.554 1.00 0.00 O ATOM 416 CB ASP A 457 -6.749 -4.334 -11.655 1.00 0.00 C ATOM 417 CG ASP A 457 -6.493 -4.260 -13.148 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.520 -3.139 -13.699 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.264 -5.321 -13.765 1.00 0.00 O ATOM 0 H ASP A 457 -5.371 -5.606 -10.072 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.879 -3.276 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.842 -5.378 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.700 -3.852 -11.428 1.00 0.00 H new ATOM 424 N ALA A 458 -6.572 -2.763 -8.794 1.00 0.00 N ATOM 425 CA ALA A 458 -7.145 -1.736 -7.932 1.00 0.00 C ATOM 426 C ALA A 458 -6.088 -0.745 -7.462 1.00 0.00 C ATOM 427 O ALA A 458 -6.379 0.432 -7.255 1.00 0.00 O ATOM 428 CB ALA A 458 -7.839 -2.372 -6.737 1.00 0.00 C ATOM 0 H ALA A 458 -6.477 -3.678 -8.353 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.881 -1.186 -8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.261 -1.592 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.637 -3.027 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.117 -2.953 -6.164 1.00 0.00 H new ATOM 434 N VAL A 459 -4.863 -1.222 -7.285 1.00 0.00 N ATOM 435 CA VAL A 459 -3.786 -0.360 -6.833 1.00 0.00 C ATOM 436 C VAL A 459 -3.290 0.533 -7.960 1.00 0.00 C ATOM 437 O VAL A 459 -2.958 1.697 -7.743 1.00 0.00 O ATOM 438 CB VAL A 459 -2.612 -1.164 -6.252 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.652 -0.242 -5.515 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.124 -2.254 -5.325 1.00 0.00 C ATOM 0 H VAL A 459 -4.594 -2.193 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.196 0.264 -6.039 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.073 -1.636 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.826 -0.826 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.263 0.506 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.179 0.256 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.281 -2.814 -4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.684 -1.802 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.775 -2.928 -5.881 1.00 0.00 H new ATOM 450 N ARG A 460 -3.264 -0.014 -9.167 1.00 0.00 N ATOM 451 CA ARG A 460 -2.827 0.741 -10.341 1.00 0.00 C ATOM 452 C ARG A 460 -3.641 2.026 -10.472 1.00 0.00 C ATOM 453 O ARG A 460 -3.092 3.103 -10.695 1.00 0.00 O ATOM 454 CB ARG A 460 -2.978 -0.100 -11.614 1.00 0.00 C ATOM 455 CG ARG A 460 -2.454 -1.524 -11.484 1.00 0.00 C ATOM 456 CD ARG A 460 -1.012 -1.553 -10.999 1.00 0.00 C ATOM 457 NE ARG A 460 -0.107 -2.094 -12.011 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.053 -3.381 -12.346 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.850 -4.262 -11.753 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.799 -3.787 -13.277 1.00 0.00 N ATOM 0 H ARG A 460 -3.539 -0.976 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.774 0.993 -10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.032 -0.136 -11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.452 0.396 -12.429 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.083 -2.081 -10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.523 -2.026 -12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.698 -0.544 -10.734 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -0.946 -2.156 -10.093 1.00 0.00 H new ATOM 0 HE ARG A 460 0.520 -1.447 -12.489 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.508 -3.954 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -0.805 -5.247 -12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.412 -3.113 -13.736 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.841 -4.773 -13.535 1.00 0.00 H new ATOM 474 N ARG A 461 -4.956 1.896 -10.321 1.00 0.00 N ATOM 475 CA ARG A 461 -5.860 3.036 -10.408 1.00 0.00 C ATOM 476 C ARG A 461 -5.588 4.030 -9.283 1.00 0.00 C ATOM 477 O ARG A 461 -5.851 5.225 -9.422 1.00 0.00 O ATOM 478 CB ARG A 461 -7.316 2.553 -10.383 1.00 0.00 C ATOM 479 CG ARG A 461 -7.803 2.156 -9.008 1.00 0.00 C ATOM 480 CD ARG A 461 -9.277 2.467 -8.826 1.00 0.00 C ATOM 481 NE ARG A 461 -9.508 3.422 -7.745 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.672 3.560 -7.112 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.714 2.811 -7.452 1.00 0.00 N ATOM 484 NH2 ARG A 461 -10.795 4.451 -6.138 1.00 0.00 N ATOM 0 H ARG A 461 -5.420 1.007 -10.137 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.685 3.553 -11.352 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -7.958 3.344 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.418 1.701 -11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.634 1.090 -8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.223 2.683 -8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.680 2.868 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.818 1.545 -8.616 1.00 0.00 H new ATOM 0 HE ARG A 461 -8.732 4.019 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.626 2.125 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.603 2.921 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -9.998 5.031 -5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.686 4.557 -5.653 1.00 0.00 H new ATOM 498 N TYR A 462 -5.047 3.533 -8.176 1.00 0.00 N ATOM 499 CA TYR A 462 -4.726 4.386 -7.039 1.00 0.00 C ATOM 500 C TYR A 462 -3.518 5.259 -7.362 1.00 0.00 C ATOM 501 O TYR A 462 -3.447 6.416 -6.949 1.00 0.00 O ATOM 502 CB TYR A 462 -4.450 3.541 -5.790 1.00 0.00 C ATOM 503 CG TYR A 462 -5.614 2.669 -5.354 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.909 2.908 -5.806 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.414 1.605 -4.483 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.965 2.112 -5.402 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.466 0.804 -4.077 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.737 1.062 -4.539 1.00 0.00 C ATOM 509 OH TYR A 462 -8.787 0.269 -4.135 1.00 0.00 O ATOM 0 H TYR A 462 -4.822 2.547 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.583 5.029 -6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.586 2.904 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.182 4.205 -4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.092 3.729 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.419 1.400 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.964 2.312 -5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.291 -0.020 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.469 -0.386 -3.479 1.00 0.00 H new ATOM 519 N LEU A 463 -2.573 4.693 -8.106 1.00 0.00 N ATOM 520 CA LEU A 463 -1.365 5.400 -8.495 1.00 0.00 C ATOM 521 C LEU A 463 -1.648 6.404 -9.600 1.00 0.00 C ATOM 522 O LEU A 463 -1.420 7.603 -9.436 1.00 0.00 O ATOM 523 CB LEU A 463 -0.322 4.403 -8.976 1.00 0.00 C ATOM 524 CG LEU A 463 -0.339 3.041 -8.279 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.953 2.295 -8.561 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.554 3.200 -6.777 1.00 0.00 C ATOM 0 H LEU A 463 -2.625 3.735 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 463 -0.992 5.940 -7.625 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.462 4.246 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.665 4.846 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.172 2.460 -8.675 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.931 1.327 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 463 1.060 2.146 -9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.797 2.876 -8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.562 2.218 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.253 3.799 -6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.507 3.697 -6.596 1.00 0.00 H new ATOM 538 N THR A 464 -2.149 5.907 -10.730 1.00 0.00 N ATOM 539 CA THR A 464 -2.469 6.759 -11.866 1.00 0.00 C ATOM 540 C THR A 464 -3.235 7.992 -11.410 1.00 0.00 C ATOM 541 O THR A 464 -3.172 9.049 -12.039 1.00 0.00 O ATOM 542 CB THR A 464 -3.285 5.977 -12.898 1.00 0.00 C ATOM 543 OG1 THR A 464 -3.825 4.800 -12.326 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.481 5.570 -14.113 1.00 0.00 C ATOM 0 H THR A 464 -2.341 4.916 -10.880 1.00 0.00 H new ATOM 0 HA THR A 464 -1.538 7.085 -12.329 1.00 0.00 H new ATOM 0 HB THR A 464 -4.074 6.658 -13.216 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.117 4.130 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.119 5.020 -14.804 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.094 6.461 -14.608 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.650 4.936 -13.804 1.00 0.00 H new ATOM 552 N ARG A 465 -3.950 7.847 -10.303 1.00 0.00 N ATOM 553 CA ARG A 465 -4.721 8.937 -9.747 1.00 0.00 C ATOM 554 C ARG A 465 -3.852 9.808 -8.837 1.00 0.00 C ATOM 555 O ARG A 465 -3.791 11.027 -9.001 1.00 0.00 O ATOM 556 CB ARG A 465 -5.923 8.400 -8.967 1.00 0.00 C ATOM 557 CG ARG A 465 -6.971 9.457 -8.662 1.00 0.00 C ATOM 558 CD ARG A 465 -8.174 8.859 -7.950 1.00 0.00 C ATOM 559 NE ARG A 465 -8.806 9.816 -7.045 1.00 0.00 N ATOM 560 CZ ARG A 465 -9.828 9.518 -6.248 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.337 8.292 -6.239 1.00 0.00 N ATOM 562 NH2 ARG A 465 -10.344 10.448 -5.455 1.00 0.00 N ATOM 0 H ARG A 465 -4.009 6.977 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.083 9.551 -10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.386 7.595 -9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.573 7.966 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.531 10.239 -8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.294 9.929 -9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.902 8.523 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -7.862 7.979 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 465 -8.442 10.769 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.944 7.572 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -11.121 8.070 -5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -9.957 11.392 -5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -11.128 10.219 -4.844 1.00 0.00 H new ATOM 576 N LYS A 466 -3.182 9.173 -7.873 1.00 0.00 N ATOM 577 CA LYS A 466 -2.325 9.877 -6.936 1.00 0.00 C ATOM 578 C LYS A 466 -1.457 8.888 -6.153 1.00 0.00 C ATOM 579 O LYS A 466 -1.947 7.855 -5.700 1.00 0.00 O ATOM 580 CB LYS A 466 -3.171 10.695 -5.984 1.00 0.00 C ATOM 581 CG LYS A 466 -2.380 11.693 -5.167 1.00 0.00 C ATOM 582 CD LYS A 466 -2.317 13.048 -5.852 1.00 0.00 C ATOM 583 CE LYS A 466 -1.063 13.188 -6.701 1.00 0.00 C ATOM 584 NZ LYS A 466 0.120 13.578 -5.886 1.00 0.00 N ATOM 0 H LYS A 466 -3.222 8.164 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.668 10.543 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -3.931 11.228 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.695 10.020 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.836 11.802 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -1.369 11.316 -5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.199 13.181 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.339 13.838 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.860 12.244 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -1.232 13.935 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 0.991 13.340 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 0.094 14.602 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 0.102 13.066 -4.981 1.00 0.00 H new ATOM 598 N PRO A 467 -0.152 9.176 -5.991 1.00 0.00 N ATOM 599 CA PRO A 467 0.756 8.282 -5.273 1.00 0.00 C ATOM 600 C PRO A 467 0.262 7.927 -3.878 1.00 0.00 C ATOM 601 O PRO A 467 -0.794 8.386 -3.443 1.00 0.00 O ATOM 602 CB PRO A 467 2.089 9.038 -5.237 1.00 0.00 C ATOM 603 CG PRO A 467 1.998 10.043 -6.336 1.00 0.00 C ATOM 604 CD PRO A 467 0.537 10.372 -6.503 1.00 0.00 C ATOM 0 HA PRO A 467 0.840 7.316 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.241 9.522 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.930 8.361 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 467 2.570 10.938 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.413 9.643 -7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 467 0.261 11.264 -5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.286 10.562 -7.547 1.00 0.00 H new ATOM 612 N MET A 468 1.012 7.062 -3.202 1.00 0.00 N ATOM 613 CA MET A 468 0.630 6.590 -1.876 1.00 0.00 C ATOM 614 C MET A 468 1.792 5.919 -1.156 1.00 0.00 C ATOM 615 O MET A 468 2.838 5.653 -1.744 1.00 0.00 O ATOM 616 CB MET A 468 -0.523 5.580 -1.991 1.00 0.00 C ATOM 617 CG MET A 468 -0.747 5.026 -3.400 1.00 0.00 C ATOM 618 SD MET A 468 0.755 4.407 -4.201 1.00 0.00 S ATOM 619 CE MET A 468 1.493 3.384 -2.929 1.00 0.00 C ATOM 0 H MET A 468 1.888 6.674 -3.551 1.00 0.00 H new ATOM 0 HA MET A 468 0.320 7.462 -1.300 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.328 4.748 -1.314 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.442 6.058 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 468 -1.477 4.219 -3.349 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.181 5.809 -4.022 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.379 3.879 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 468 0.774 3.228 -2.125 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.775 2.421 -3.355 1.00 0.00 H new ATOM 629 N THR A 469 1.570 5.617 0.118 1.00 0.00 N ATOM 630 CA THR A 469 2.560 4.933 0.932 1.00 0.00 C ATOM 631 C THR A 469 2.028 3.538 1.257 1.00 0.00 C ATOM 632 O THR A 469 0.818 3.317 1.205 1.00 0.00 O ATOM 633 CB THR A 469 2.835 5.701 2.234 1.00 0.00 C ATOM 634 OG1 THR A 469 1.923 5.318 3.248 1.00 0.00 O ATOM 635 CG2 THR A 469 2.744 7.205 2.091 1.00 0.00 C ATOM 0 H THR A 469 0.705 5.839 0.610 1.00 0.00 H new ATOM 0 HA THR A 469 3.498 4.869 0.381 1.00 0.00 H new ATOM 0 HB THR A 469 3.861 5.441 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.117 5.818 4.068 1.00 0.00 H new ATOM 0 HG21 THR A 469 2.951 7.675 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.474 7.545 1.356 1.00 0.00 H new ATOM 0 HG23 THR A 469 1.742 7.479 1.761 1.00 0.00 H new ATOM 643 N THR A 470 2.902 2.595 1.591 1.00 0.00 N ATOM 644 CA THR A 470 2.442 1.245 1.911 1.00 0.00 C ATOM 645 C THR A 470 1.477 1.274 3.083 1.00 0.00 C ATOM 646 O THR A 470 0.464 0.574 3.086 1.00 0.00 O ATOM 647 CB THR A 470 3.612 0.307 2.204 1.00 0.00 C ATOM 648 OG1 THR A 470 4.810 1.031 2.406 1.00 0.00 O ATOM 649 CG2 THR A 470 3.856 -0.684 1.091 1.00 0.00 C ATOM 0 H THR A 470 3.911 2.733 1.647 1.00 0.00 H new ATOM 0 HA THR A 470 1.919 0.859 1.036 1.00 0.00 H new ATOM 0 HB THR A 470 3.332 -0.233 3.108 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.238 0.731 3.235 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.698 -1.325 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.965 -1.296 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.081 -0.148 0.169 1.00 0.00 H new ATOM 657 N LYS A 471 1.786 2.105 4.060 1.00 0.00 N ATOM 658 CA LYS A 471 0.936 2.249 5.232 1.00 0.00 C ATOM 659 C LYS A 471 -0.401 2.852 4.827 1.00 0.00 C ATOM 660 O LYS A 471 -1.461 2.328 5.159 1.00 0.00 O ATOM 661 CB LYS A 471 1.608 3.134 6.284 1.00 0.00 C ATOM 662 CG LYS A 471 3.079 2.823 6.497 1.00 0.00 C ATOM 663 CD LYS A 471 3.969 3.759 5.698 1.00 0.00 C ATOM 664 CE LYS A 471 5.149 3.022 5.084 1.00 0.00 C ATOM 665 NZ LYS A 471 5.266 3.276 3.622 1.00 0.00 N ATOM 0 H LYS A 471 2.620 2.692 4.068 1.00 0.00 H new ATOM 0 HA LYS A 471 0.773 1.262 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.506 4.178 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.081 3.020 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.320 2.907 7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.280 1.792 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.385 4.232 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.334 4.556 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 471 6.068 3.332 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.038 1.952 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.376 2.372 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.409 3.757 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 6.095 3.877 3.439 1.00 0.00 H new ATOM 679 N ASP A 472 -0.335 3.958 4.100 1.00 0.00 N ATOM 680 CA ASP A 472 -1.536 4.641 3.639 1.00 0.00 C ATOM 681 C ASP A 472 -2.353 3.758 2.695 1.00 0.00 C ATOM 682 O ASP A 472 -3.550 3.978 2.510 1.00 0.00 O ATOM 683 CB ASP A 472 -1.153 5.942 2.929 1.00 0.00 C ATOM 684 CG ASP A 472 -2.364 6.730 2.469 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.448 6.554 3.063 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.228 7.524 1.514 1.00 0.00 O ATOM 0 H ASP A 472 0.538 4.402 3.816 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.152 4.865 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.557 6.558 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.525 5.711 2.068 1.00 0.00 H new ATOM 691 N LEU A 473 -1.699 2.773 2.083 1.00 0.00 N ATOM 692 CA LEU A 473 -2.373 1.884 1.140 1.00 0.00 C ATOM 693 C LEU A 473 -3.241 0.837 1.828 1.00 0.00 C ATOM 694 O LEU A 473 -4.379 0.604 1.424 1.00 0.00 O ATOM 695 CB LEU A 473 -1.357 1.199 0.231 1.00 0.00 C ATOM 696 CG LEU A 473 -0.935 2.018 -0.989 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.165 1.146 -1.961 1.00 0.00 C ATOM 698 CD2 LEU A 473 -2.144 2.644 -1.675 1.00 0.00 C ATOM 0 H LEU A 473 -0.709 2.571 2.222 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.036 2.511 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.469 0.961 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.776 0.253 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 473 -0.287 2.827 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.131 1.739 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.725 0.752 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.796 0.319 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -1.814 3.221 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.824 1.858 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -2.659 3.302 -0.975 1.00 0.00 H new ATOM 710 N LEU A 474 -2.702 0.199 2.850 1.00 0.00 N ATOM 711 CA LEU A 474 -3.443 -0.836 3.567 1.00 0.00 C ATOM 712 C LEU A 474 -4.535 -0.229 4.436 1.00 0.00 C ATOM 713 O LEU A 474 -5.693 -0.643 4.373 1.00 0.00 O ATOM 714 CB LEU A 474 -2.506 -1.690 4.421 1.00 0.00 C ATOM 715 CG LEU A 474 -1.478 -0.899 5.218 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.810 -0.925 6.701 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.074 -1.436 4.971 1.00 0.00 C ATOM 0 H LEU A 474 -1.762 0.373 3.205 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.913 -1.477 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.105 -2.283 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.982 -2.391 3.772 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.511 0.137 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.062 -0.354 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.794 -0.484 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.812 -1.956 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.644 -0.856 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.026 -2.482 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.165 -1.355 3.911 1.00 0.00 H new ATOM 729 N LYS A 475 -4.166 0.756 5.244 1.00 0.00 N ATOM 730 CA LYS A 475 -5.117 1.424 6.121 1.00 0.00 C ATOM 731 C LYS A 475 -6.339 1.909 5.343 1.00 0.00 C ATOM 732 O LYS A 475 -7.422 2.066 5.909 1.00 0.00 O ATOM 733 CB LYS A 475 -4.436 2.597 6.819 1.00 0.00 C ATOM 734 CG LYS A 475 -3.181 2.191 7.570 1.00 0.00 C ATOM 735 CD LYS A 475 -3.485 1.155 8.636 1.00 0.00 C ATOM 736 CE LYS A 475 -2.386 1.091 9.684 1.00 0.00 C ATOM 737 NZ LYS A 475 -2.931 0.849 11.048 1.00 0.00 N ATOM 0 H LYS A 475 -3.212 1.111 5.310 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.459 0.707 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -4.181 3.355 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.138 3.055 7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -2.449 1.790 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -2.731 3.070 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -4.433 1.394 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -3.602 0.176 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.686 0.296 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.824 2.025 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -2.470 1.490 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -3.956 1.024 11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -2.748 -0.136 11.325 1.00 0.00 H new ATOM 751 N LYS A 476 -6.161 2.142 4.046 1.00 0.00 N ATOM 752 CA LYS A 476 -7.253 2.605 3.202 1.00 0.00 C ATOM 753 C LYS A 476 -8.279 1.490 2.994 1.00 0.00 C ATOM 754 O LYS A 476 -9.486 1.719 3.077 1.00 0.00 O ATOM 755 CB LYS A 476 -6.698 3.102 1.856 1.00 0.00 C ATOM 756 CG LYS A 476 -7.233 2.362 0.636 1.00 0.00 C ATOM 757 CD LYS A 476 -6.213 2.303 -0.484 1.00 0.00 C ATOM 758 CE LYS A 476 -5.966 0.864 -0.894 1.00 0.00 C ATOM 759 NZ LYS A 476 -4.673 0.693 -1.608 1.00 0.00 N ATOM 0 H LYS A 476 -5.273 2.018 3.560 1.00 0.00 H new ATOM 0 HA LYS A 476 -7.758 3.435 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -6.930 4.162 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -5.612 3.013 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -7.517 1.349 0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -8.136 2.857 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -6.569 2.876 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -5.279 2.761 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.975 0.230 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -6.780 0.527 -1.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -4.493 -0.320 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.716 1.181 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -3.904 1.098 -1.036 1.00 0.00 H new ATOM 773 N PHE A 477 -7.786 0.282 2.729 1.00 0.00 N ATOM 774 CA PHE A 477 -8.645 -0.867 2.517 1.00 0.00 C ATOM 775 C PHE A 477 -9.302 -1.264 3.818 1.00 0.00 C ATOM 776 O PHE A 477 -10.524 -1.356 3.927 1.00 0.00 O ATOM 777 CB PHE A 477 -7.815 -2.039 2.002 1.00 0.00 C ATOM 778 CG PHE A 477 -7.589 -2.035 0.521 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.657 -2.043 -0.362 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.302 -2.031 0.013 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.444 -2.049 -1.725 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.081 -2.034 -1.350 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.154 -2.044 -2.221 1.00 0.00 C ATOM 0 H PHE A 477 -6.789 0.079 2.657 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.410 -0.607 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.848 -2.032 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -8.311 -2.969 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.667 -2.045 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.461 -2.025 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.284 -2.058 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.072 -2.029 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 477 -6.985 -2.048 -3.288 1.00 0.00 H new ATOM 793 N GLN A 478 -8.452 -1.495 4.800 1.00 0.00 N ATOM 794 CA GLN A 478 -8.885 -1.891 6.138 1.00 0.00 C ATOM 795 C GLN A 478 -9.858 -3.069 6.085 1.00 0.00 C ATOM 796 O GLN A 478 -10.269 -3.505 5.010 1.00 0.00 O ATOM 797 CB GLN A 478 -9.532 -0.707 6.860 1.00 0.00 C ATOM 798 CG GLN A 478 -8.603 -0.012 7.841 1.00 0.00 C ATOM 799 CD GLN A 478 -9.259 1.170 8.528 1.00 0.00 C ATOM 800 OE1 GLN A 478 -9.242 1.279 9.754 1.00 0.00 O ATOM 801 NE2 GLN A 478 -9.842 2.065 7.738 1.00 0.00 N ATOM 0 H GLN A 478 -7.440 -1.415 4.699 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.002 -2.208 6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -9.873 0.017 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -10.415 -1.057 7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -8.274 -0.728 8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.712 0.328 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -9.832 1.935 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -10.299 2.882 8.143 1.00 0.00 H new ATOM 810 N THR A 479 -10.222 -3.579 7.258 1.00 0.00 N ATOM 811 CA THR A 479 -11.148 -4.704 7.350 1.00 0.00 C ATOM 812 C THR A 479 -12.600 -4.242 7.211 1.00 0.00 C ATOM 813 O THR A 479 -13.525 -5.046 7.326 1.00 0.00 O ATOM 814 CB THR A 479 -10.963 -5.431 8.684 1.00 0.00 C ATOM 815 OG1 THR A 479 -9.608 -5.389 9.096 1.00 0.00 O ATOM 816 CG2 THR A 479 -11.385 -6.883 8.636 1.00 0.00 C ATOM 0 H THR A 479 -9.890 -3.232 8.158 1.00 0.00 H new ATOM 0 HA THR A 479 -10.926 -5.387 6.530 1.00 0.00 H new ATOM 0 HB THR A 479 -11.605 -4.906 9.391 1.00 0.00 H new ATOM 0 HG1 THR A 479 -9.026 -5.410 8.308 1.00 0.00 H new ATOM 0 HG21 THR A 479 -11.228 -7.340 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 479 -12.440 -6.947 8.371 1.00 0.00 H new ATOM 0 HG23 THR A 479 -10.791 -7.410 7.889 1.00 0.00 H new ATOM 824 N LYS A 480 -12.796 -2.946 6.970 1.00 0.00 N ATOM 825 CA LYS A 480 -14.135 -2.383 6.822 1.00 0.00 C ATOM 826 C LYS A 480 -14.988 -3.208 5.861 1.00 0.00 C ATOM 827 O LYS A 480 -16.158 -3.475 6.134 1.00 0.00 O ATOM 828 CB LYS A 480 -14.048 -0.938 6.329 1.00 0.00 C ATOM 829 CG LYS A 480 -15.157 -0.046 6.862 1.00 0.00 C ATOM 830 CD LYS A 480 -15.161 -0.010 8.381 1.00 0.00 C ATOM 831 CE LYS A 480 -15.981 1.156 8.910 1.00 0.00 C ATOM 832 NZ LYS A 480 -16.202 1.060 10.379 1.00 0.00 N ATOM 0 H LYS A 480 -12.042 -2.266 6.873 1.00 0.00 H new ATOM 0 HA LYS A 480 -14.613 -2.405 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -13.085 -0.520 6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -14.080 -0.932 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -15.031 0.965 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -16.121 -0.408 6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -15.566 -0.945 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -14.137 0.069 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -15.471 2.092 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -16.944 1.184 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -16.765 1.874 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -16.711 0.180 10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -15.285 1.059 10.869 1.00 0.00 H new ATOM 846 N LYS A 481 -14.403 -3.604 4.734 1.00 0.00 N ATOM 847 CA LYS A 481 -15.129 -4.391 3.742 1.00 0.00 C ATOM 848 C LYS A 481 -14.316 -5.590 3.277 1.00 0.00 C ATOM 849 O LYS A 481 -14.831 -6.705 3.199 1.00 0.00 O ATOM 850 CB LYS A 481 -15.511 -3.519 2.546 1.00 0.00 C ATOM 851 CG LYS A 481 -16.666 -2.571 2.831 1.00 0.00 C ATOM 852 CD LYS A 481 -17.933 -2.999 2.107 1.00 0.00 C ATOM 853 CE LYS A 481 -18.248 -2.075 0.941 1.00 0.00 C ATOM 854 NZ LYS A 481 -17.750 -2.622 -0.351 1.00 0.00 N ATOM 0 H LYS A 481 -13.436 -3.395 4.486 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.037 -4.764 4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.642 -2.938 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.778 -4.163 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.853 -2.537 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -16.394 -1.562 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.818 -4.020 1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.769 -3.002 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -19.326 -1.923 0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -17.798 -1.099 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -18.279 -2.193 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -16.739 -2.403 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -17.884 -3.653 -0.366 1.00 0.00 H new ATOM 868 N THR A 482 -13.045 -5.363 2.976 1.00 0.00 N ATOM 869 CA THR A 482 -12.169 -6.439 2.528 1.00 0.00 C ATOM 870 C THR A 482 -12.176 -7.604 3.517 1.00 0.00 C ATOM 871 O THR A 482 -11.738 -8.706 3.189 1.00 0.00 O ATOM 872 CB THR A 482 -10.737 -5.925 2.354 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.107 -5.766 3.612 1.00 0.00 O ATOM 874 CG2 THR A 482 -10.654 -4.601 1.630 1.00 0.00 C ATOM 0 H THR A 482 -12.598 -4.448 3.033 1.00 0.00 H new ATOM 0 HA THR A 482 -12.545 -6.794 1.569 1.00 0.00 H new ATOM 0 HB THR A 482 -10.234 -6.680 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 482 -10.438 -4.950 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.610 -4.299 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.086 -4.703 0.635 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.205 -3.845 2.189 1.00 0.00 H new ATOM 882 N GLY A 483 -12.658 -7.354 4.735 1.00 0.00 N ATOM 883 CA GLY A 483 -12.683 -8.394 5.742 1.00 0.00 C ATOM 884 C GLY A 483 -11.287 -8.871 6.067 1.00 0.00 C ATOM 885 O GLY A 483 -11.095 -9.973 6.582 1.00 0.00 O ATOM 0 H GLY A 483 -13.029 -6.453 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.162 -8.017 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.284 -9.232 5.389 1.00 0.00 H new ATOM 889 N LEU A 484 -10.309 -8.033 5.745 1.00 0.00 N ATOM 890 CA LEU A 484 -8.915 -8.355 5.981 1.00 0.00 C ATOM 891 C LEU A 484 -8.357 -7.573 7.165 1.00 0.00 C ATOM 892 O LEU A 484 -8.371 -6.342 7.175 1.00 0.00 O ATOM 893 CB LEU A 484 -8.088 -8.072 4.722 1.00 0.00 C ATOM 894 CG LEU A 484 -7.603 -9.311 3.959 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.663 -10.403 3.957 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.225 -8.936 2.534 1.00 0.00 C ATOM 0 H LEU A 484 -10.462 -7.120 5.317 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.851 -9.416 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.686 -7.461 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.219 -7.478 5.005 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.721 -9.700 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.292 -11.269 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.889 -10.692 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.568 -10.031 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.882 -9.824 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -8.094 -8.521 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.427 -8.194 2.553 1.00 0.00 H new ATOM 908 N SER A 485 -7.862 -8.303 8.158 1.00 0.00 N ATOM 909 CA SER A 485 -7.287 -7.697 9.355 1.00 0.00 C ATOM 910 C SER A 485 -6.319 -6.574 9.005 1.00 0.00 C ATOM 911 O SER A 485 -5.815 -6.502 7.885 1.00 0.00 O ATOM 912 CB SER A 485 -6.548 -8.752 10.168 1.00 0.00 C ATOM 913 OG SER A 485 -6.872 -8.657 11.545 1.00 0.00 O ATOM 0 H SER A 485 -7.847 -9.323 8.158 1.00 0.00 H new ATOM 0 HA SER A 485 -8.108 -7.279 9.938 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.804 -9.745 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.473 -8.630 10.035 1.00 0.00 H new ATOM 0 HG SER A 485 -6.386 -9.346 12.044 1.00 0.00 H new ATOM 919 N SER A 486 -6.042 -5.713 9.979 1.00 0.00 N ATOM 920 CA SER A 486 -5.110 -4.614 9.774 1.00 0.00 C ATOM 921 C SER A 486 -3.735 -5.160 9.403 1.00 0.00 C ATOM 922 O SER A 486 -2.941 -4.488 8.747 1.00 0.00 O ATOM 923 CB SER A 486 -5.012 -3.752 11.034 1.00 0.00 C ATOM 924 OG SER A 486 -4.761 -4.547 12.179 1.00 0.00 O ATOM 0 H SER A 486 -6.448 -5.756 10.914 1.00 0.00 H new ATOM 0 HA SER A 486 -5.478 -3.992 8.958 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.215 -3.019 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 486 -5.939 -3.195 11.170 1.00 0.00 H new ATOM 0 HG SER A 486 -4.701 -3.972 12.970 1.00 0.00 H new ATOM 930 N GLU A 487 -3.474 -6.394 9.823 1.00 0.00 N ATOM 931 CA GLU A 487 -2.214 -7.056 9.538 1.00 0.00 C ATOM 932 C GLU A 487 -2.306 -7.833 8.235 1.00 0.00 C ATOM 933 O GLU A 487 -1.424 -7.751 7.381 1.00 0.00 O ATOM 934 CB GLU A 487 -1.829 -7.995 10.684 1.00 0.00 C ATOM 935 CG GLU A 487 -2.096 -7.417 12.064 1.00 0.00 C ATOM 936 CD GLU A 487 -1.154 -7.965 13.118 1.00 0.00 C ATOM 937 OE1 GLU A 487 -0.580 -9.051 12.893 1.00 0.00 O ATOM 938 OE2 GLU A 487 -0.992 -7.308 14.168 1.00 0.00 O ATOM 0 H GLU A 487 -4.128 -6.957 10.367 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.442 -6.293 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.381 -8.929 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.770 -8.240 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.999 -6.332 12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.124 -7.635 12.352 1.00 0.00 H new ATOM 945 N GLN A 488 -3.392 -8.577 8.090 1.00 0.00 N ATOM 946 CA GLN A 488 -3.622 -9.367 6.889 1.00 0.00 C ATOM 947 C GLN A 488 -3.727 -8.450 5.678 1.00 0.00 C ATOM 948 O GLN A 488 -3.166 -8.737 4.620 1.00 0.00 O ATOM 949 CB GLN A 488 -4.894 -10.208 7.024 1.00 0.00 C ATOM 950 CG GLN A 488 -4.619 -11.691 7.209 1.00 0.00 C ATOM 951 CD GLN A 488 -5.889 -12.519 7.255 1.00 0.00 C ATOM 952 OE1 GLN A 488 -6.806 -12.148 8.140 1.00 0.00 O flip ATOM 953 NE2 GLN A 488 -6.043 -13.482 6.503 1.00 0.00 N flip ATOM 0 H GLN A 488 -4.130 -8.651 8.791 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.778 -10.044 6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.473 -9.845 7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.509 -10.068 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.989 -12.044 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -4.059 -11.840 8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.311 -13.732 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.902 -14.030 6.546 1.00 0.00 H new ATOM 962 N THR A 489 -4.429 -7.331 5.847 1.00 0.00 N ATOM 963 CA THR A 489 -4.579 -6.361 4.770 1.00 0.00 C ATOM 964 C THR A 489 -3.212 -6.020 4.191 1.00 0.00 C ATOM 965 O THR A 489 -3.085 -5.702 3.012 1.00 0.00 O ATOM 966 CB THR A 489 -5.263 -5.089 5.275 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.542 -5.382 5.808 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.442 -4.043 4.195 1.00 0.00 C ATOM 0 H THR A 489 -4.900 -7.077 6.715 1.00 0.00 H new ATOM 0 HA THR A 489 -5.203 -6.801 3.992 1.00 0.00 H new ATOM 0 HB THR A 489 -4.602 -4.689 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.444 -5.953 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 489 -5.933 -3.165 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.467 -3.759 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.055 -4.451 3.392 1.00 0.00 H new ATOM 976 N VAL A 490 -2.190 -6.109 5.039 1.00 0.00 N ATOM 977 CA VAL A 490 -0.818 -5.828 4.624 1.00 0.00 C ATOM 978 C VAL A 490 -0.198 -7.060 3.983 1.00 0.00 C ATOM 979 O VAL A 490 0.496 -6.970 2.971 1.00 0.00 O ATOM 980 CB VAL A 490 0.050 -5.397 5.818 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.317 -4.703 5.342 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.743 -4.498 6.749 1.00 0.00 C ATOM 0 H VAL A 490 -2.286 -6.374 6.019 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.855 -5.012 3.902 1.00 0.00 H new ATOM 0 HB VAL A 490 0.345 -6.289 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.915 -4.407 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.893 -5.386 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.052 -3.818 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.116 -4.201 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.069 -3.610 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.615 -5.037 7.120 1.00 0.00 H new ATOM 992 N ASN A 491 -0.471 -8.213 4.580 1.00 0.00 N ATOM 993 CA ASN A 491 0.035 -9.482 4.078 1.00 0.00 C ATOM 994 C ASN A 491 -0.435 -9.710 2.642 1.00 0.00 C ATOM 995 O ASN A 491 0.233 -10.381 1.854 1.00 0.00 O ATOM 996 CB ASN A 491 -0.439 -10.614 4.998 1.00 0.00 C ATOM 997 CG ASN A 491 -0.487 -11.969 4.314 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.534 -12.494 3.871 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.685 -12.538 4.226 1.00 0.00 N ATOM 0 H ASN A 491 -1.045 -8.294 5.419 1.00 0.00 H new ATOM 0 HA ASN A 491 1.125 -9.465 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.226 -10.674 5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.432 -10.372 5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.786 -13.448 3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.504 -12.065 4.608 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.586 -9.136 2.312 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.157 -9.255 0.976 1.00 0.00 C ATOM 1008 C VAL A 492 -1.906 -7.987 0.159 1.00 0.00 C ATOM 1009 O VAL A 492 -2.192 -7.942 -1.034 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.675 -9.512 1.052 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.348 -8.447 1.909 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.291 -9.557 -0.339 1.00 0.00 C ATOM 0 H VAL A 492 -2.146 -8.579 2.957 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.671 -10.099 0.487 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.836 -10.484 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.420 -8.640 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.932 -8.474 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.175 -7.464 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.362 -9.740 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -4.123 -8.605 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.830 -10.359 -0.916 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.376 -6.959 0.808 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.095 -5.703 0.141 1.00 0.00 C ATOM 1024 C LEU A 493 0.356 -5.651 -0.326 1.00 0.00 C ATOM 1025 O LEU A 493 0.661 -5.101 -1.384 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.391 -4.530 1.083 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.155 -3.133 0.501 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.521 -3.083 -0.976 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.951 -2.098 1.283 1.00 0.00 C ATOM 0 H LEU A 493 -1.133 -6.974 1.798 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.739 -5.626 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.431 -4.599 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.775 -4.640 1.975 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.093 -2.903 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.343 -2.079 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -0.909 -3.797 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.574 -3.337 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.775 -1.109 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.013 -2.335 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.635 -2.108 2.326 1.00 0.00 H new ATOM 1041 N ALA A 494 1.246 -6.232 0.472 1.00 0.00 N ATOM 1042 CA ALA A 494 2.667 -6.257 0.148 1.00 0.00 C ATOM 1043 C ALA A 494 2.915 -6.948 -1.187 1.00 0.00 C ATOM 1044 O ALA A 494 3.772 -6.529 -1.965 1.00 0.00 O ATOM 1045 CB ALA A 494 3.444 -6.961 1.251 1.00 0.00 C ATOM 0 H ALA A 494 1.007 -6.693 1.350 1.00 0.00 H new ATOM 0 HA ALA A 494 3.013 -5.226 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.504 -6.974 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.302 -6.430 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.083 -7.984 1.354 1.00 0.00 H new ATOM 1051 N GLN A 495 2.168 -8.016 -1.437 1.00 0.00 N ATOM 1052 CA GLN A 495 2.307 -8.780 -2.663 1.00 0.00 C ATOM 1053 C GLN A 495 1.877 -7.973 -3.887 1.00 0.00 C ATOM 1054 O GLN A 495 2.522 -8.028 -4.934 1.00 0.00 O ATOM 1055 CB GLN A 495 1.493 -10.070 -2.563 1.00 0.00 C ATOM 1056 CG GLN A 495 0.161 -9.899 -1.866 1.00 0.00 C ATOM 1057 CD GLN A 495 -1.008 -10.381 -2.697 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.974 -9.501 -2.909 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -1.041 -11.528 -3.143 1.00 0.00 N flip ATOM 0 H GLN A 495 1.456 -8.372 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 495 3.362 -9.024 -2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.320 -10.458 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.079 -10.818 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.178 -10.445 -0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.017 -8.846 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.273 -12.171 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.837 -11.835 -3.702 1.00 0.00 H new ATOM 1068 N ILE A 496 0.781 -7.236 -3.754 1.00 0.00 N ATOM 1069 CA ILE A 496 0.261 -6.433 -4.853 1.00 0.00 C ATOM 1070 C ILE A 496 0.999 -5.101 -4.995 1.00 0.00 C ATOM 1071 O ILE A 496 1.090 -4.546 -6.091 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.244 -6.148 -4.675 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -2.067 -7.385 -5.028 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.666 -4.975 -5.541 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.368 -7.483 -4.260 1.00 0.00 C ATOM 0 H ILE A 496 0.235 -7.178 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 496 0.420 -7.020 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.425 -5.895 -3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.284 -7.375 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.471 -8.276 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.731 -4.786 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -1.101 -4.089 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.470 -5.207 -6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.901 -8.385 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -3.157 -7.525 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.984 -6.609 -4.474 1.00 0.00 H new ATOM 1087 N LEU A 497 1.494 -4.575 -3.886 1.00 0.00 N ATOM 1088 CA LEU A 497 2.191 -3.295 -3.893 1.00 0.00 C ATOM 1089 C LEU A 497 3.268 -3.227 -4.984 1.00 0.00 C ATOM 1090 O LEU A 497 3.267 -2.317 -5.813 1.00 0.00 O ATOM 1091 CB LEU A 497 2.826 -3.039 -2.520 1.00 0.00 C ATOM 1092 CG LEU A 497 2.540 -1.673 -1.865 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.038 -0.645 -2.870 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.540 -1.826 -0.733 1.00 0.00 C ATOM 0 H LEU A 497 1.427 -5.014 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 497 1.453 -2.523 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.488 -3.820 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.906 -3.148 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 497 3.485 -1.306 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.851 0.300 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.790 -0.497 -3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.114 -1.002 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 497 1.350 -0.852 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.608 -2.233 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.944 -2.502 0.020 1.00 0.00 H new ATOM 1106 N LYS A 498 4.207 -4.169 -4.948 1.00 0.00 N ATOM 1107 CA LYS A 498 5.318 -4.193 -5.903 1.00 0.00 C ATOM 1108 C LYS A 498 4.863 -4.358 -7.349 1.00 0.00 C ATOM 1109 O LYS A 498 5.533 -3.890 -8.269 1.00 0.00 O ATOM 1110 CB LYS A 498 6.304 -5.303 -5.544 1.00 0.00 C ATOM 1111 CG LYS A 498 5.721 -6.702 -5.674 1.00 0.00 C ATOM 1112 CD LYS A 498 5.132 -7.194 -4.360 1.00 0.00 C ATOM 1113 CE LYS A 498 6.144 -7.103 -3.222 1.00 0.00 C ATOM 1114 NZ LYS A 498 5.948 -8.185 -2.219 1.00 0.00 N ATOM 0 H LYS A 498 4.223 -4.928 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 498 5.806 -3.221 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.179 -5.222 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.647 -5.155 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.947 -6.703 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.499 -7.391 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.250 -6.603 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.802 -8.227 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.154 -7.163 -3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.054 -6.133 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 6.830 -8.330 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.188 -7.916 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.688 -9.067 -2.706 1.00 0.00 H new ATOM 1128 N ARG A 499 3.735 -5.019 -7.556 1.00 0.00 N ATOM 1129 CA ARG A 499 3.224 -5.227 -8.914 1.00 0.00 C ATOM 1130 C ARG A 499 3.077 -3.896 -9.645 1.00 0.00 C ATOM 1131 O ARG A 499 3.044 -3.847 -10.874 1.00 0.00 O ATOM 1132 CB ARG A 499 1.869 -5.945 -8.900 1.00 0.00 C ATOM 1133 CG ARG A 499 1.709 -6.951 -7.776 1.00 0.00 C ATOM 1134 CD ARG A 499 2.770 -8.032 -7.831 1.00 0.00 C ATOM 1135 NE ARG A 499 2.792 -8.714 -9.123 1.00 0.00 N ATOM 1136 CZ ARG A 499 3.815 -9.446 -9.558 1.00 0.00 C ATOM 1137 NH1 ARG A 499 4.901 -9.592 -8.808 1.00 0.00 N ATOM 1138 NH2 ARG A 499 3.753 -10.033 -10.744 1.00 0.00 N ATOM 0 H ARG A 499 3.158 -5.418 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 499 3.947 -5.853 -9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.077 -5.200 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.732 -6.457 -9.853 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.765 -6.436 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.721 -7.408 -7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.748 -7.590 -7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.587 -8.760 -7.040 1.00 0.00 H new ATOM 0 HE ARG A 499 1.975 -8.624 -9.727 1.00 0.00 H new ATOM 0 HH11 ARG A 499 4.954 -9.142 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.682 -10.154 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 499 2.921 -9.924 -11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 499 4.537 -10.594 -11.077 1.00 0.00 H new ATOM 1152 N LEU A 500 2.971 -2.820 -8.873 1.00 0.00 N ATOM 1153 CA LEU A 500 2.807 -1.485 -9.428 1.00 0.00 C ATOM 1154 C LEU A 500 4.004 -1.056 -10.262 1.00 0.00 C ATOM 1155 O LEU A 500 3.850 -0.553 -11.375 1.00 0.00 O ATOM 1156 CB LEU A 500 2.587 -0.493 -8.291 1.00 0.00 C ATOM 1157 CG LEU A 500 1.412 -0.829 -7.374 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.412 0.064 -6.143 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.101 -0.708 -8.135 1.00 0.00 C ATOM 0 H LEU A 500 2.996 -2.849 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 500 1.942 -1.502 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.496 -0.440 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.428 0.498 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 500 1.520 -1.859 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.566 -0.195 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.340 -0.079 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.330 1.107 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.729 -0.950 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.014 0.312 -8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.104 -1.399 -8.978 1.00 0.00 H new ATOM 1171 N ASN A 501 5.191 -1.242 -9.714 1.00 0.00 N ATOM 1172 CA ASN A 501 6.415 -0.861 -10.398 1.00 0.00 C ATOM 1173 C ASN A 501 6.354 0.615 -10.790 1.00 0.00 C ATOM 1174 O ASN A 501 6.473 0.967 -11.964 1.00 0.00 O ATOM 1175 CB ASN A 501 6.618 -1.744 -11.630 1.00 0.00 C ATOM 1176 CG ASN A 501 7.824 -1.344 -12.451 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.721 -0.565 -13.398 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.978 -1.889 -12.092 1.00 0.00 N ATOM 0 H ASN A 501 5.334 -1.656 -8.793 1.00 0.00 H new ATOM 0 HA ASN A 501 7.263 -1.004 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.729 -2.781 -11.313 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.727 -1.696 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.829 -1.667 -12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 501 9.015 -2.530 -11.299 1.00 0.00 H new ATOM 1185 N PRO A 502 6.157 1.500 -9.798 1.00 0.00 N ATOM 1186 CA PRO A 502 6.066 2.931 -9.994 1.00 0.00 C ATOM 1187 C PRO A 502 7.369 3.628 -9.647 1.00 0.00 C ATOM 1188 O PRO A 502 8.426 3.001 -9.581 1.00 0.00 O ATOM 1189 CB PRO A 502 4.979 3.312 -8.985 1.00 0.00 C ATOM 1190 CG PRO A 502 5.038 2.262 -7.910 1.00 0.00 C ATOM 1191 CD PRO A 502 5.999 1.194 -8.378 1.00 0.00 C ATOM 0 HA PRO A 502 5.853 3.214 -11.025 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.158 4.305 -8.573 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.997 3.335 -9.457 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.374 2.695 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.050 1.838 -7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.949 1.243 -7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.598 0.193 -8.222 1.00 0.00 H new ATOM 1199 N GLU A 503 7.282 4.924 -9.405 1.00 0.00 N ATOM 1200 CA GLU A 503 8.436 5.708 -9.040 1.00 0.00 C ATOM 1201 C GLU A 503 8.214 6.343 -7.676 1.00 0.00 C ATOM 1202 O GLU A 503 7.107 6.780 -7.360 1.00 0.00 O ATOM 1203 CB GLU A 503 8.706 6.771 -10.097 1.00 0.00 C ATOM 1204 CG GLU A 503 9.906 6.454 -10.970 1.00 0.00 C ATOM 1205 CD GLU A 503 11.098 7.341 -10.669 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.921 8.577 -10.617 1.00 0.00 O ATOM 1207 OE2 GLU A 503 12.209 6.800 -10.484 1.00 0.00 O ATOM 0 H GLU A 503 6.413 5.455 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 503 9.310 5.059 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.824 6.879 -10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.866 7.731 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.189 5.411 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.628 6.568 -12.018 1.00 0.00 H new ATOM 1214 N ARG A 504 9.257 6.374 -6.861 1.00 0.00 N ATOM 1215 CA ARG A 504 9.146 6.937 -5.526 1.00 0.00 C ATOM 1216 C ARG A 504 9.208 8.459 -5.554 1.00 0.00 C ATOM 1217 O ARG A 504 10.037 9.054 -6.242 1.00 0.00 O ATOM 1218 CB ARG A 504 10.238 6.375 -4.621 1.00 0.00 C ATOM 1219 CG ARG A 504 11.642 6.811 -5.013 1.00 0.00 C ATOM 1220 CD ARG A 504 12.151 7.923 -4.111 1.00 0.00 C ATOM 1221 NE ARG A 504 13.611 7.973 -4.074 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.309 8.592 -3.124 1.00 0.00 C ATOM 1223 NH1 ARG A 504 13.684 9.217 -2.134 1.00 0.00 N ATOM 1224 NH2 ARG A 504 15.634 8.587 -3.165 1.00 0.00 N ATOM 0 H ARG A 504 10.183 6.019 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 504 8.173 6.653 -5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.043 6.687 -3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.187 5.286 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.318 5.958 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.643 7.152 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG A 504 11.764 8.880 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 504 11.768 7.775 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 504 14.126 7.506 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 504 12.665 9.225 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 504 14.223 9.690 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.119 8.109 -3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.169 9.061 -2.437 1.00 0.00 H new ATOM 1238 N LYS A 505 8.312 9.073 -4.792 1.00 0.00 N ATOM 1239 CA LYS A 505 8.225 10.527 -4.699 1.00 0.00 C ATOM 1240 C LYS A 505 7.600 10.921 -3.367 1.00 0.00 C ATOM 1241 O LYS A 505 6.756 10.201 -2.837 1.00 0.00 O ATOM 1242 CB LYS A 505 7.389 11.096 -5.853 1.00 0.00 C ATOM 1243 CG LYS A 505 7.485 10.295 -7.143 1.00 0.00 C ATOM 1244 CD LYS A 505 6.464 10.764 -8.168 1.00 0.00 C ATOM 1245 CE LYS A 505 5.049 10.382 -7.763 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.093 11.508 -7.956 1.00 0.00 N ATOM 0 H LYS A 505 7.626 8.579 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 505 9.232 10.939 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.345 11.142 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.709 12.120 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.489 10.390 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.328 9.238 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.531 11.846 -8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.696 10.327 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.722 9.524 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.041 10.074 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.202 11.143 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 3.906 11.965 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.503 12.203 -8.613 1.00 0.00 H new ATOM 1260 N MET A 506 8.013 12.056 -2.819 1.00 0.00 N ATOM 1261 CA MET A 506 7.473 12.503 -1.541 1.00 0.00 C ATOM 1262 C MET A 506 6.240 13.380 -1.724 1.00 0.00 C ATOM 1263 O MET A 506 6.337 14.528 -2.157 1.00 0.00 O ATOM 1264 CB MET A 506 8.533 13.254 -0.733 1.00 0.00 C ATOM 1265 CG MET A 506 9.075 14.496 -1.420 1.00 0.00 C ATOM 1266 SD MET A 506 10.536 15.162 -0.594 1.00 0.00 S ATOM 1267 CE MET A 506 10.130 14.861 1.126 1.00 0.00 C ATOM 0 H MET A 506 8.710 12.676 -3.231 1.00 0.00 H new ATOM 0 HA MET A 506 7.174 11.611 -0.991 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.106 13.541 0.228 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.361 12.577 -0.524 1.00 0.00 H new ATOM 0 HG2 MET A 506 9.324 14.256 -2.454 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.298 15.260 -1.448 1.00 0.00 H new ATOM 0 HE1 MET A 506 10.817 15.417 1.765 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.108 15.187 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 506 10.218 13.796 1.340 1.00 0.00 H new ATOM 1277 N ILE A 507 5.083 12.832 -1.369 1.00 0.00 N ATOM 1278 CA ILE A 507 3.825 13.559 -1.465 1.00 0.00 C ATOM 1279 C ILE A 507 3.523 14.251 -0.139 1.00 0.00 C ATOM 1280 O ILE A 507 3.229 13.597 0.862 1.00 0.00 O ATOM 1281 CB ILE A 507 2.650 12.614 -1.835 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.685 12.206 -3.322 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.312 13.262 -1.501 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.532 13.099 -4.206 1.00 0.00 C ATOM 0 H ILE A 507 4.992 11.881 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 507 3.928 14.302 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 507 2.766 11.709 -1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.060 11.185 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.665 12.200 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.502 12.583 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.268 13.477 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.207 14.190 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.496 12.734 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.147 14.118 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.563 13.088 -3.853 1.00 0.00 H new ATOM 1296 N ASN A 508 3.598 15.578 -0.137 1.00 0.00 N ATOM 1297 CA ASN A 508 3.332 16.353 1.068 1.00 0.00 C ATOM 1298 C ASN A 508 4.294 15.966 2.189 1.00 0.00 C ATOM 1299 O ASN A 508 3.898 15.864 3.350 1.00 0.00 O ATOM 1300 CB ASN A 508 1.887 16.148 1.524 1.00 0.00 C ATOM 1301 CG ASN A 508 1.285 17.405 2.119 1.00 0.00 C ATOM 1302 OD1 ASN A 508 0.257 17.896 1.654 1.00 0.00 O ATOM 1303 ND2 ASN A 508 1.925 17.935 3.155 1.00 0.00 N ATOM 0 H ASN A 508 3.840 16.137 -0.955 1.00 0.00 H new ATOM 0 HA ASN A 508 3.484 17.406 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.283 15.826 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 508 1.852 15.347 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.567 18.782 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 508 2.775 17.495 3.509 1.00 0.00 H new ATOM 1310 N ASP A 509 5.560 15.753 1.832 1.00 0.00 N ATOM 1311 CA ASP A 509 6.588 15.378 2.804 1.00 0.00 C ATOM 1312 C ASP A 509 6.480 13.904 3.194 1.00 0.00 C ATOM 1313 O ASP A 509 7.139 13.456 4.133 1.00 0.00 O ATOM 1314 CB ASP A 509 6.500 16.256 4.057 1.00 0.00 C ATOM 1315 CG ASP A 509 6.274 17.719 3.726 1.00 0.00 C ATOM 1316 OD1 ASP A 509 7.168 18.334 3.108 1.00 0.00 O ATOM 1317 OD2 ASP A 509 5.201 18.249 4.086 1.00 0.00 O ATOM 0 H ASP A 509 5.900 15.834 0.874 1.00 0.00 H new ATOM 0 HA ASP A 509 7.556 15.536 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 509 5.687 15.900 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 509 7.420 16.155 4.633 1.00 0.00 H new ATOM 1322 N LYS A 510 5.654 13.152 2.471 1.00 0.00 N ATOM 1323 CA LYS A 510 5.477 11.731 2.750 1.00 0.00 C ATOM 1324 C LYS A 510 5.958 10.889 1.577 1.00 0.00 C ATOM 1325 O LYS A 510 5.610 11.158 0.430 1.00 0.00 O ATOM 1326 CB LYS A 510 4.010 11.417 3.038 1.00 0.00 C ATOM 1327 CG LYS A 510 3.812 10.089 3.750 1.00 0.00 C ATOM 1328 CD LYS A 510 3.800 10.259 5.262 1.00 0.00 C ATOM 1329 CE LYS A 510 5.081 10.908 5.763 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.107 11.014 7.248 1.00 0.00 N ATOM 0 H LYS A 510 5.099 13.502 1.690 1.00 0.00 H new ATOM 0 HA LYS A 510 6.072 11.486 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 510 3.587 12.216 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.456 11.405 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 510 2.873 9.639 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.609 9.402 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 510 2.945 10.869 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 510 3.675 9.286 5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 510 5.939 10.326 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.179 11.902 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 5.996 11.462 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.303 11.591 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.040 10.064 7.665 1.00 0.00 H new ATOM 1344 N MET A 511 6.759 9.869 1.864 1.00 0.00 N ATOM 1345 CA MET A 511 7.277 9.006 0.812 1.00 0.00 C ATOM 1346 C MET A 511 6.154 8.205 0.157 1.00 0.00 C ATOM 1347 O MET A 511 5.611 7.271 0.747 1.00 0.00 O ATOM 1348 CB MET A 511 8.333 8.056 1.381 1.00 0.00 C ATOM 1349 CG MET A 511 8.932 7.119 0.344 1.00 0.00 C ATOM 1350 SD MET A 511 10.157 7.931 -0.700 1.00 0.00 S ATOM 1351 CE MET A 511 9.137 8.449 -2.077 1.00 0.00 C ATOM 0 H MET A 511 7.061 9.622 2.807 1.00 0.00 H new ATOM 0 HA MET A 511 7.736 9.638 0.051 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.133 8.644 1.832 1.00 0.00 H new ATOM 0 HB3 MET A 511 7.884 7.463 2.178 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.396 6.272 0.850 1.00 0.00 H new ATOM 0 HG3 MET A 511 8.135 6.719 -0.282 1.00 0.00 H new ATOM 0 HE1 MET A 511 9.772 8.824 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.557 7.600 -2.440 1.00 0.00 H new ATOM 0 HE3 MET A 511 8.460 9.239 -1.751 1.00 0.00 H new ATOM 1361 N HIS A 512 5.831 8.572 -1.077 1.00 0.00 N ATOM 1362 CA HIS A 512 4.796 7.902 -1.848 1.00 0.00 C ATOM 1363 C HIS A 512 5.372 7.379 -3.163 1.00 0.00 C ATOM 1364 O HIS A 512 6.145 8.070 -3.824 1.00 0.00 O ATOM 1365 CB HIS A 512 3.647 8.864 -2.160 1.00 0.00 C ATOM 1366 CG HIS A 512 2.804 9.240 -0.982 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.437 9.393 -1.061 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.135 9.510 0.302 1.00 0.00 C ATOM 1369 CE1 HIS A 512 0.964 9.742 0.121 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.973 9.820 0.966 1.00 0.00 N ATOM 0 H HIS A 512 6.281 9.343 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 512 4.419 7.070 -1.253 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.061 9.773 -2.597 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.007 8.410 -2.916 1.00 0.00 H new ATOM 0 HD1 HIS A 512 0.877 9.258 -1.903 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.128 9.486 0.726 1.00 0.00 H new ATOM 0 HE1 HIS A 512 -0.073 9.931 0.356 1.00 0.00 H new ATOM 1379 N PHE A 513 4.994 6.168 -3.546 1.00 0.00 N ATOM 1380 CA PHE A 513 5.479 5.581 -4.786 1.00 0.00 C ATOM 1381 C PHE A 513 4.320 5.299 -5.740 1.00 0.00 C ATOM 1382 O PHE A 513 3.378 4.590 -5.391 1.00 0.00 O ATOM 1383 CB PHE A 513 6.240 4.292 -4.473 1.00 0.00 C ATOM 1384 CG PHE A 513 6.008 3.783 -3.078 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.800 3.206 -2.731 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.994 3.901 -2.112 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.578 2.752 -1.444 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.780 3.447 -0.825 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.569 2.872 -0.490 1.00 0.00 C ATOM 0 H PHE A 513 4.355 5.574 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 513 6.151 6.287 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.944 3.522 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.307 4.465 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.022 3.109 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.941 4.353 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.630 2.304 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.558 3.541 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.398 2.517 0.516 1.00 0.00 H new ATOM 1399 N SER A 514 4.389 5.870 -6.943 1.00 0.00 N ATOM 1400 CA SER A 514 3.332 5.685 -7.934 1.00 0.00 C ATOM 1401 C SER A 514 3.743 6.197 -9.309 1.00 0.00 C ATOM 1402 O SER A 514 4.751 6.888 -9.457 1.00 0.00 O ATOM 1403 CB SER A 514 2.073 6.414 -7.485 1.00 0.00 C ATOM 1404 OG SER A 514 1.164 5.532 -6.846 1.00 0.00 O ATOM 0 H SER A 514 5.161 6.461 -7.252 1.00 0.00 H new ATOM 0 HA SER A 514 3.143 4.615 -8.015 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.341 7.220 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.590 6.874 -8.347 1.00 0.00 H new ATOM 0 HG SER A 514 1.560 5.202 -6.012 1.00 0.00 H new ATOM 1410 N LEU A 515 2.924 5.875 -10.306 1.00 0.00 N ATOM 1411 CA LEU A 515 3.150 6.315 -11.665 1.00 0.00 C ATOM 1412 C LEU A 515 2.077 7.320 -12.035 1.00 0.00 C ATOM 1413 O LEU A 515 1.098 7.481 -11.304 1.00 0.00 O ATOM 1414 CB LEU A 515 3.139 5.151 -12.659 1.00 0.00 C ATOM 1415 CG LEU A 515 1.868 4.310 -12.651 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.733 3.512 -13.940 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.879 3.391 -11.452 1.00 0.00 C ATOM 0 H LEU A 515 2.088 5.302 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 515 4.139 6.771 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.287 5.549 -13.663 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.988 4.502 -12.445 1.00 0.00 H new ATOM 0 HG LEU A 515 1.007 4.975 -12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.818 2.921 -13.908 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.694 4.195 -14.788 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.590 2.848 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.970 2.790 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.748 2.735 -11.504 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.927 3.985 -10.539 1.00 0.00 H new ATOM 1429 N LYS A 516 2.245 7.996 -13.155 1.00 0.00 N ATOM 1430 CA LYS A 516 1.261 8.974 -13.576 1.00 0.00 C ATOM 1431 C LYS A 516 0.942 8.845 -15.058 1.00 0.00 C ATOM 1432 O LYS A 516 1.746 9.213 -15.915 1.00 0.00 O ATOM 1433 CB LYS A 516 1.716 10.390 -13.238 1.00 0.00 C ATOM 1434 CG LYS A 516 3.086 10.443 -12.605 1.00 0.00 C ATOM 1435 CD LYS A 516 4.159 10.052 -13.601 1.00 0.00 C ATOM 1436 CE LYS A 516 5.290 9.286 -12.933 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.520 9.270 -13.771 1.00 0.00 N ATOM 0 H LYS A 516 3.042 7.889 -13.782 1.00 0.00 H new ATOM 0 HA LYS A 516 0.343 8.772 -13.023 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.721 10.989 -14.148 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.993 10.844 -12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 516 3.280 11.449 -12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 516 3.120 9.773 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.720 9.440 -14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.557 10.948 -14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.514 9.739 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.970 8.262 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.267 8.738 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.313 8.815 -14.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.841 10.246 -13.936 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.242 8.316 -15.348 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.683 8.130 -16.716 1.00 0.00 C ATOM 1453 C GLU A 517 -0.693 9.454 -17.475 1.00 0.00 C ATOM 1454 O GLU A 517 -0.336 9.451 -18.672 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.079 7.514 -16.719 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.066 8.240 -15.820 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.093 9.035 -16.602 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.952 8.410 -17.259 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -4.038 10.281 -16.558 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.056 10.482 -16.866 1.00 0.00 O ATOM 0 H GLU A 517 -0.914 8.008 -14.645 1.00 0.00 H new ATOM 0 HA GLU A 517 0.015 7.460 -17.219 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.464 7.511 -17.739 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.009 6.474 -16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -3.578 7.514 -15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.521 8.911 -15.156 1.00 0.00 H new TER 1467 GLU A 517