USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 746 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 584 TPO H2 : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD NoAdj-H: B 584 TPO H : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD Set 1.1: A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 462 TYR OH : rot 177:sc= 1.21 USER MOD Set 2.2: A 476 LYS NZ :NH3+ -145:sc= 1.64 (180deg=1.09) USER MOD Single : A 453 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.6!) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -73:sc= -0.368 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 161:sc= -8.82! (180deg=-9.63!) USER MOD Single : A 469 THR OG1 : rot -120:sc= -1.31! USER MOD Single : A 470 THR OG1 : rot 42:sc= -2.43 USER MOD Single : A 471 LYS NZ :NH3+ -126:sc= -1.49 (180deg=-5.39!) USER MOD Single : A 475 LYS NZ :NH3+ -152:sc= -0.199 (180deg=-0.814) USER MOD Single : A 478 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.1) USER MOD Single : A 479 THR OG1 : rot 180:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot -170:sc= -0.763 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 102:sc= -0.355 USER MOD Single : A 491 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 495 GLN :FLIP amide:sc= -2.71 F(o=-5!,f=-2.7) USER MOD Single : A 498 LYS NZ :NH3+ 169:sc= -4.48! (180deg=-5.15!) USER MOD Single : A 501 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.8!) USER MOD Single : A 506 MET CE :methyl 171:sc= -1.9 (180deg=-2.04!) USER MOD Single : A 508 ASN : amide:sc= -0.471 K(o=-0.47,f=-0.98) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl 173:sc= -1.85 (180deg=-2.02) USER MOD Single : A 512 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 514 SER OG : rot 124:sc= -2.78 USER MOD Single : B 589 HIS :FLIP no HD1:sc= -7.67! C(o=-8.9!,f=-7.7!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 5.027 -6.235 21.125 1.00 0.00 N ATOM 2 CA GLU B 582 3.830 -7.107 21.005 1.00 0.00 C ATOM 3 C GLU B 582 2.544 -6.286 21.044 1.00 0.00 C ATOM 4 O GLU B 582 1.538 -6.660 20.441 1.00 0.00 O ATOM 5 CB GLU B 582 3.845 -8.118 22.153 1.00 0.00 C ATOM 6 CG GLU B 582 3.336 -9.494 21.758 1.00 0.00 C ATOM 7 CD GLU B 582 1.887 -9.475 21.314 1.00 0.00 C ATOM 8 OE1 GLU B 582 0.998 -9.389 22.187 1.00 0.00 O ATOM 9 OE2 GLU B 582 1.640 -9.543 20.091 1.00 0.00 O ATOM 0 HA GLU B 582 3.860 -7.626 20.047 1.00 0.00 H new ATOM 0 HB2 GLU B 582 4.863 -8.211 22.531 1.00 0.00 H new ATOM 0 HB3 GLU B 582 3.235 -7.735 22.971 1.00 0.00 H new ATOM 0 HG2 GLU B 582 3.954 -9.888 20.951 1.00 0.00 H new ATOM 0 HG3 GLU B 582 3.444 -10.174 22.603 1.00 0.00 H new ATOM 18 N ASP B 583 2.585 -5.166 21.759 1.00 0.00 N ATOM 19 CA ASP B 583 1.423 -4.292 21.876 1.00 0.00 C ATOM 20 C ASP B 583 0.986 -3.780 20.507 1.00 0.00 C ATOM 21 O ASP B 583 1.499 -2.774 20.017 1.00 0.00 O ATOM 22 CB ASP B 583 1.738 -3.112 22.798 1.00 0.00 C ATOM 23 CG ASP B 583 2.349 -3.554 24.113 1.00 0.00 C ATOM 24 OD1 ASP B 583 3.388 -4.247 24.082 1.00 0.00 O ATOM 25 OD2 ASP B 583 1.790 -3.206 25.174 1.00 0.00 O ATOM 0 H ASP B 583 3.409 -4.843 22.265 1.00 0.00 H new ATOM 0 HA ASP B 583 0.605 -4.872 22.304 1.00 0.00 H new ATOM 0 HB2 ASP B 583 2.423 -2.432 22.292 1.00 0.00 H new ATOM 0 HB3 ASP B 583 0.823 -2.554 22.995 1.00 0.00 H new HETATM 30 N TPO B 584 0.035 -4.480 19.896 1.00 0.00 N HETATM 31 CA TPO B 584 -0.473 -4.097 18.583 1.00 0.00 C HETATM 32 CB TPO B 584 -1.174 -2.737 18.663 1.00 0.00 C HETATM 33 CG2 TPO B 584 -1.467 -2.122 17.304 1.00 0.00 C HETATM 34 OG1 TPO B 584 -2.404 -2.886 19.378 1.00 0.00 O HETATM 35 P TPO B 584 -2.638 -1.532 20.219 1.00 0.00 P HETATM 36 O1P TPO B 584 -2.796 -0.391 19.289 1.00 0.00 O HETATM 37 O2P TPO B 584 -3.968 -1.681 21.114 1.00 0.00 O HETATM 38 O3P TPO B 584 -1.372 -1.271 21.180 1.00 0.00 O HETATM 39 C TPO B 584 0.664 -4.031 17.565 1.00 0.00 C HETATM 40 O TPO B 584 1.107 -2.947 17.189 1.00 0.00 O HETATM 0 HG23 TPO B 584 -0.533 -1.975 16.762 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -2.115 -2.789 16.735 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -1.964 -1.161 17.439 1.00 0.00 H new HETATM 0 HB TPO B 584 -0.490 -2.062 19.176 1.00 0.00 H new HETATM 0 HA TPO B 584 -1.190 -4.852 18.260 1.00 0.00 H new ATOM 47 N ASP B 585 1.134 -5.191 17.117 1.00 0.00 N ATOM 48 CA ASP B 585 2.203 -5.238 16.150 1.00 0.00 C ATOM 49 C ASP B 585 1.650 -5.161 14.728 1.00 0.00 C ATOM 50 O ASP B 585 2.023 -5.951 13.861 1.00 0.00 O ATOM 51 CB ASP B 585 2.995 -6.528 16.339 1.00 0.00 C ATOM 52 CG ASP B 585 2.107 -7.757 16.368 1.00 0.00 C ATOM 53 OD1 ASP B 585 1.441 -7.984 17.400 1.00 0.00 O ATOM 54 OD2 ASP B 585 2.078 -8.493 15.360 1.00 0.00 O ATOM 0 H ASP B 585 0.787 -6.103 17.413 1.00 0.00 H new ATOM 0 HA ASP B 585 2.859 -4.381 16.303 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.720 -6.627 15.531 1.00 0.00 H new ATOM 0 HB3 ASP B 585 3.560 -6.470 17.269 1.00 0.00 H new ATOM 59 N GLU B 586 0.774 -4.189 14.497 1.00 0.00 N ATOM 60 CA GLU B 586 0.181 -3.982 13.189 1.00 0.00 C ATOM 61 C GLU B 586 1.077 -3.094 12.338 1.00 0.00 C ATOM 62 O GLU B 586 1.162 -3.249 11.121 1.00 0.00 O ATOM 63 CB GLU B 586 -1.207 -3.353 13.323 1.00 0.00 C ATOM 64 CG GLU B 586 -1.189 -1.968 13.948 1.00 0.00 C ATOM 65 CD GLU B 586 -2.581 -1.421 14.193 1.00 0.00 C ATOM 66 OE1 GLU B 586 -3.272 -1.937 15.097 1.00 0.00 O ATOM 67 OE2 GLU B 586 -2.982 -0.476 13.482 1.00 0.00 O ATOM 0 H GLU B 586 0.459 -3.529 15.208 1.00 0.00 H new ATOM 0 HA GLU B 586 0.078 -4.951 12.700 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -1.666 -3.291 12.336 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -1.836 -4.007 13.927 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -0.646 -2.007 14.893 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.644 -1.286 13.295 1.00 0.00 H new ATOM 74 N ASP B 587 1.730 -2.147 12.998 1.00 0.00 N ATOM 75 CA ASP B 587 2.612 -1.208 12.331 1.00 0.00 C ATOM 76 C ASP B 587 4.012 -1.791 12.141 1.00 0.00 C ATOM 77 O ASP B 587 4.765 -1.353 11.271 1.00 0.00 O ATOM 78 CB ASP B 587 2.671 0.098 13.129 1.00 0.00 C ATOM 79 CG ASP B 587 3.677 0.055 14.267 1.00 0.00 C ATOM 80 OD1 ASP B 587 3.542 -0.822 15.146 1.00 0.00 O ATOM 81 OD2 ASP B 587 4.598 0.898 14.277 1.00 0.00 O ATOM 0 H ASP B 587 1.662 -2.011 14.007 1.00 0.00 H new ATOM 0 HA ASP B 587 2.210 -1.004 11.338 1.00 0.00 H new ATOM 0 HB2 ASP B 587 2.927 0.917 12.456 1.00 0.00 H new ATOM 0 HB3 ASP B 587 1.682 0.315 13.534 1.00 0.00 H new ATOM 86 N ASP B 588 4.358 -2.772 12.968 1.00 0.00 N ATOM 87 CA ASP B 588 5.667 -3.408 12.902 1.00 0.00 C ATOM 88 C ASP B 588 5.949 -3.972 11.518 1.00 0.00 C ATOM 89 O ASP B 588 6.961 -3.651 10.895 1.00 0.00 O ATOM 90 CB ASP B 588 5.765 -4.512 13.942 1.00 0.00 C ATOM 91 CG ASP B 588 7.198 -4.821 14.330 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.841 -5.630 13.628 1.00 0.00 O ATOM 93 OD2 ASP B 588 7.676 -4.255 15.336 1.00 0.00 O ATOM 0 H ASP B 588 3.747 -3.145 13.694 1.00 0.00 H new ATOM 0 HA ASP B 588 6.417 -2.645 13.110 1.00 0.00 H new ATOM 0 HB2 ASP B 588 5.207 -4.219 14.831 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.295 -5.415 13.553 1.00 0.00 H new ATOM 98 N HIS B 589 5.050 -4.817 11.049 1.00 0.00 N ATOM 99 CA HIS B 589 5.185 -5.440 9.745 1.00 0.00 C ATOM 100 C HIS B 589 4.832 -4.466 8.626 1.00 0.00 C ATOM 101 O HIS B 589 5.245 -4.641 7.480 1.00 0.00 O ATOM 102 CB HIS B 589 4.291 -6.675 9.668 1.00 0.00 C ATOM 103 CG HIS B 589 2.907 -6.457 10.192 1.00 0.00 C ATOM 104 ND1 HIS B 589 1.996 -5.492 9.917 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.311 -7.291 11.114 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.880 -5.762 10.670 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.095 -6.851 11.383 1.00 0.00 N flip ATOM 0 H HIS B 589 4.209 -5.090 11.558 1.00 0.00 H new ATOM 0 HA HIS B 589 6.226 -5.736 9.614 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.228 -7.002 8.630 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.758 -7.485 10.229 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.768 -8.168 11.549 1.00 0.00 H new ATOM 0 HE1 HIS B 589 -0.028 -5.177 10.677 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.435 -7.280 12.031 1.00 0.00 H new ATOM 116 N LEU B 590 4.063 -3.445 8.971 1.00 0.00 N ATOM 117 CA LEU B 590 3.641 -2.436 8.012 1.00 0.00 C ATOM 118 C LEU B 590 4.839 -1.701 7.410 1.00 0.00 C ATOM 119 O LEU B 590 4.774 -1.205 6.287 1.00 0.00 O ATOM 120 CB LEU B 590 2.699 -1.441 8.696 1.00 0.00 C ATOM 121 CG LEU B 590 2.430 -0.146 7.927 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.550 -0.416 6.716 1.00 0.00 C ATOM 123 CD2 LEU B 590 1.791 0.888 8.844 1.00 0.00 C ATOM 0 H LEU B 590 3.716 -3.293 9.918 1.00 0.00 H new ATOM 0 HA LEU B 590 3.117 -2.936 7.197 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.746 -1.938 8.879 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.117 -1.184 9.669 1.00 0.00 H new ATOM 0 HG LEU B 590 3.380 0.252 7.570 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.370 0.517 6.182 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.050 -1.123 6.053 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.599 -0.836 7.044 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.605 1.805 8.285 1.00 0.00 H new ATOM 0 HD22 LEU B 590 0.848 0.500 9.229 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.462 1.101 9.676 1.00 0.00 H new ATOM 135 N ILE B 591 5.916 -1.598 8.175 1.00 0.00 N ATOM 136 CA ILE B 591 7.099 -0.893 7.715 1.00 0.00 C ATOM 137 C ILE B 591 8.047 -1.779 6.891 1.00 0.00 C ATOM 138 O ILE B 591 8.700 -1.287 5.970 1.00 0.00 O ATOM 139 CB ILE B 591 7.861 -0.258 8.897 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.022 0.867 9.507 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.218 0.274 8.451 1.00 0.00 C ATOM 142 CD1 ILE B 591 7.636 1.475 10.749 1.00 0.00 C ATOM 0 H ILE B 591 5.993 -1.992 9.113 1.00 0.00 H new ATOM 0 HA ILE B 591 6.741 -0.105 7.053 1.00 0.00 H new ATOM 0 HB ILE B 591 8.034 -1.026 9.651 1.00 0.00 H new ATOM 0 HG12 ILE B 591 6.881 1.649 8.761 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.033 0.479 9.753 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.734 0.716 9.304 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.816 -0.544 8.050 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.076 1.031 7.680 1.00 0.00 H new ATOM 0 HD11 ILE B 591 6.987 2.265 11.126 1.00 0.00 H new ATOM 0 HD12 ILE B 591 7.752 0.705 11.512 1.00 0.00 H new ATOM 0 HD13 ILE B 591 8.612 1.893 10.505 1.00 0.00 H new ATOM 154 N TYR B 592 8.149 -3.068 7.224 1.00 0.00 N ATOM 155 CA TYR B 592 9.057 -3.957 6.491 1.00 0.00 C ATOM 156 C TYR B 592 8.554 -4.262 5.092 1.00 0.00 C ATOM 157 O TYR B 592 9.338 -4.300 4.143 1.00 0.00 O ATOM 158 CB TYR B 592 9.352 -5.255 7.277 1.00 0.00 C ATOM 159 CG TYR B 592 8.275 -6.325 7.215 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.829 -6.841 6.005 1.00 0.00 C ATOM 161 CD2 TYR B 592 7.703 -6.818 8.379 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.849 -7.806 5.954 1.00 0.00 C ATOM 163 CE2 TYR B 592 6.722 -7.791 8.338 1.00 0.00 C ATOM 164 CZ TYR B 592 6.297 -8.281 7.122 1.00 0.00 C ATOM 165 OH TYR B 592 5.317 -9.246 7.075 1.00 0.00 O ATOM 0 H TYR B 592 7.627 -3.513 7.979 1.00 0.00 H new ATOM 0 HA TYR B 592 9.998 -3.418 6.384 1.00 0.00 H new ATOM 0 HB2 TYR B 592 10.283 -5.681 6.902 1.00 0.00 H new ATOM 0 HB3 TYR B 592 9.519 -4.994 8.322 1.00 0.00 H new ATOM 0 HD1 TYR B 592 8.261 -6.477 5.084 1.00 0.00 H new ATOM 0 HD2 TYR B 592 8.030 -6.435 9.334 1.00 0.00 H new ATOM 0 HE1 TYR B 592 6.514 -8.189 5.001 1.00 0.00 H new ATOM 0 HE2 TYR B 592 6.291 -8.165 9.255 1.00 0.00 H new ATOM 0 HH TYR B 592 5.036 -9.471 7.986 1.00 0.00 H new ATOM 175 N LEU B 593 7.258 -4.483 4.954 1.00 0.00 N ATOM 176 CA LEU B 593 6.697 -4.785 3.645 1.00 0.00 C ATOM 177 C LEU B 593 6.844 -3.582 2.724 1.00 0.00 C ATOM 178 O LEU B 593 6.771 -3.702 1.503 1.00 0.00 O ATOM 179 CB LEU B 593 5.233 -5.250 3.756 1.00 0.00 C ATOM 180 CG LEU B 593 4.149 -4.174 3.615 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.321 -3.113 4.678 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.143 -3.561 2.222 1.00 0.00 C ATOM 0 H LEU B 593 6.582 -4.460 5.718 1.00 0.00 H new ATOM 0 HA LEU B 593 7.255 -5.614 3.209 1.00 0.00 H new ATOM 0 HB2 LEU B 593 5.059 -6.008 2.992 1.00 0.00 H new ATOM 0 HB3 LEU B 593 5.104 -5.736 4.723 1.00 0.00 H new ATOM 0 HG LEU B 593 3.180 -4.652 3.758 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.545 -2.356 4.566 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.242 -3.570 5.664 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.300 -2.647 4.572 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.362 -2.803 2.161 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.111 -3.101 2.023 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.952 -4.339 1.483 1.00 0.00 H new ATOM 194 N GLU B 594 7.064 -2.419 3.313 1.00 0.00 N ATOM 195 CA GLU B 594 7.237 -1.212 2.534 1.00 0.00 C ATOM 196 C GLU B 594 8.483 -1.312 1.662 1.00 0.00 C ATOM 197 O GLU B 594 8.550 -0.716 0.587 1.00 0.00 O ATOM 198 CB GLU B 594 7.333 0.005 3.441 1.00 0.00 C ATOM 199 CG GLU B 594 7.300 1.326 2.691 1.00 0.00 C ATOM 200 CD GLU B 594 6.743 2.460 3.526 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.364 2.798 4.556 1.00 0.00 O ATOM 202 OE2 GLU B 594 5.687 3.012 3.152 1.00 0.00 O ATOM 0 H GLU B 594 7.126 -2.288 4.323 1.00 0.00 H new ATOM 0 HA GLU B 594 6.365 -1.098 1.890 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.510 -0.019 4.155 1.00 0.00 H new ATOM 0 HB3 GLU B 594 8.257 -0.053 4.017 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.309 1.580 2.368 1.00 0.00 H new ATOM 0 HG3 GLU B 594 6.696 1.213 1.791 1.00 0.00 H new ATOM 209 N GLU B 595 9.474 -2.054 2.147 1.00 0.00 N ATOM 210 CA GLU B 595 10.732 -2.215 1.424 1.00 0.00 C ATOM 211 C GLU B 595 10.612 -3.205 0.270 1.00 0.00 C ATOM 212 O GLU B 595 11.038 -2.918 -0.850 1.00 0.00 O ATOM 213 CB GLU B 595 11.862 -2.618 2.384 1.00 0.00 C ATOM 214 CG GLU B 595 11.977 -4.116 2.640 1.00 0.00 C ATOM 215 CD GLU B 595 12.751 -4.836 1.554 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.893 -4.422 1.265 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.215 -5.814 0.991 1.00 0.00 O ATOM 0 H GLU B 595 9.431 -2.553 3.036 1.00 0.00 H new ATOM 0 HA GLU B 595 10.979 -1.248 0.985 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.809 -2.259 1.980 1.00 0.00 H new ATOM 0 HB3 GLU B 595 11.709 -2.111 3.337 1.00 0.00 H new ATOM 0 HG2 GLU B 595 12.467 -4.280 3.600 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.978 -4.546 2.715 1.00 0.00 H new ATOM 224 N ILE B 596 10.030 -4.362 0.540 1.00 0.00 N ATOM 225 CA ILE B 596 9.853 -5.388 -0.495 1.00 0.00 C ATOM 226 C ILE B 596 9.197 -4.801 -1.736 1.00 0.00 C ATOM 227 O ILE B 596 9.379 -5.299 -2.848 1.00 0.00 O ATOM 228 CB ILE B 596 9.008 -6.585 -0.004 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.793 -6.108 0.787 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.845 -7.527 0.840 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.523 -6.068 -0.028 1.00 0.00 C ATOM 0 H ILE B 596 9.671 -4.621 1.459 1.00 0.00 H new ATOM 0 HA ILE B 596 10.853 -5.749 -0.736 1.00 0.00 H new ATOM 0 HB ILE B 596 8.657 -7.126 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.645 -6.766 1.643 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.994 -5.112 1.181 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.228 -8.361 1.174 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.677 -7.905 0.246 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.232 -6.992 1.707 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.700 -5.720 0.597 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.652 -5.388 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.298 -7.067 -0.401 1.00 0.00 H new ATOM 243 N LEU B 597 8.431 -3.745 -1.529 1.00 0.00 N ATOM 244 CA LEU B 597 7.729 -3.071 -2.606 1.00 0.00 C ATOM 245 C LEU B 597 8.670 -2.481 -3.631 1.00 0.00 C ATOM 246 O LEU B 597 8.923 -3.066 -4.684 1.00 0.00 O ATOM 247 CB LEU B 597 6.867 -1.956 -2.033 1.00 0.00 C ATOM 248 CG LEU B 597 6.381 -0.922 -3.057 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.624 -1.595 -4.185 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.518 0.128 -2.382 1.00 0.00 C ATOM 0 H LEU B 597 8.278 -3.331 -0.610 1.00 0.00 H new ATOM 0 HA LEU B 597 7.116 -3.820 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.998 -2.401 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.434 -1.440 -1.259 1.00 0.00 H new ATOM 0 HG LEU B 597 7.253 -0.427 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.289 -0.842 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.278 -2.307 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.759 -2.121 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.182 0.854 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.652 -0.351 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.099 0.637 -1.613 1.00 0.00 H new ATOM 262 N VAL B 598 9.138 -1.286 -3.331 1.00 0.00 N ATOM 263 CA VAL B 598 9.998 -0.569 -4.233 1.00 0.00 C ATOM 264 C VAL B 598 11.163 0.065 -3.495 1.00 0.00 C ATOM 265 O VAL B 598 11.591 1.172 -3.822 1.00 0.00 O ATOM 266 CB VAL B 598 9.203 0.523 -4.969 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.087 -0.088 -5.806 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.640 1.526 -3.974 1.00 0.00 C ATOM 0 H VAL B 598 8.932 -0.794 -2.462 1.00 0.00 H new ATOM 0 HA VAL B 598 10.393 -1.284 -4.955 1.00 0.00 H new ATOM 0 HB VAL B 598 9.881 1.046 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL B 598 7.540 0.704 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL B 598 8.515 -0.767 -6.544 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.406 -0.640 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.080 2.293 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.978 1.014 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.458 1.991 -3.424 1.00 0.00 H new ATOM 278 N ARG B 599 11.672 -0.641 -2.497 1.00 0.00 N ATOM 279 CA ARG B 599 12.789 -0.133 -1.718 1.00 0.00 C ATOM 280 C ARG B 599 13.900 -1.172 -1.611 1.00 0.00 C ATOM 281 O ARG B 599 13.808 -2.116 -0.825 1.00 0.00 O ATOM 282 CB ARG B 599 12.337 0.292 -0.321 1.00 0.00 C ATOM 283 CG ARG B 599 10.932 0.869 -0.281 1.00 0.00 C ATOM 284 CD ARG B 599 10.567 1.358 1.111 1.00 0.00 C ATOM 285 NE ARG B 599 11.632 2.160 1.708 1.00 0.00 N ATOM 286 CZ ARG B 599 11.747 2.386 3.014 1.00 0.00 C ATOM 287 NH1 ARG B 599 10.865 1.877 3.865 1.00 0.00 N ATOM 288 NH2 ARG B 599 12.749 3.126 3.472 1.00 0.00 N ATOM 0 H ARG B 599 11.333 -1.559 -2.210 1.00 0.00 H new ATOM 0 HA ARG B 599 13.179 0.742 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG B 599 12.385 -0.570 0.344 1.00 0.00 H new ATOM 0 HB3 ARG B 599 13.036 1.033 0.067 1.00 0.00 H new ATOM 0 HG2 ARG B 599 10.857 1.695 -0.989 1.00 0.00 H new ATOM 0 HG3 ARG B 599 10.217 0.110 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG B 599 9.653 1.950 1.059 1.00 0.00 H new ATOM 0 HD3 ARG B 599 10.356 0.502 1.752 1.00 0.00 H new ATOM 0 HE ARG B 599 12.329 2.571 1.087 1.00 0.00 H new ATOM 0 HH11 ARG B 599 10.092 1.308 3.519 1.00 0.00 H new ATOM 0 HH12 ARG B 599 10.960 2.055 4.865 1.00 0.00 H new ATOM 0 HH21 ARG B 599 13.430 3.521 2.823 1.00 0.00 H new ATOM 0 HH22 ARG B 599 12.838 3.300 4.473 1.00 0.00 H new ATOM 302 N VAL B 600 14.950 -0.993 -2.406 1.00 0.00 N ATOM 303 CA VAL B 600 16.080 -1.913 -2.399 1.00 0.00 C ATOM 304 C VAL B 600 17.305 -1.277 -1.752 1.00 0.00 C ATOM 305 O VAL B 600 18.197 -2.029 -1.309 1.00 0.00 O ATOM 306 CB VAL B 600 16.445 -2.365 -3.826 1.00 0.00 C ATOM 307 CG1 VAL B 600 15.323 -3.201 -4.426 1.00 0.00 C ATOM 308 CG2 VAL B 600 16.752 -1.162 -4.704 1.00 0.00 C ATOM 309 OXT VAL B 600 17.362 -0.030 -1.694 1.00 0.00 O ATOM 0 H VAL B 600 15.041 -0.218 -3.063 1.00 0.00 H new ATOM 0 HA VAL B 600 15.775 -2.782 -1.816 1.00 0.00 H new ATOM 0 HB VAL B 600 17.340 -2.985 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL B 600 15.599 -3.511 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL B 600 15.156 -4.083 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL B 600 14.409 -2.608 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL B 600 17.008 -1.500 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL B 600 15.877 -0.513 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL B 600 17.591 -0.609 -4.283 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -18.704 -5.719 -0.420 1.00 0.00 N ATOM 321 CA ASP A 451 -17.564 -6.671 -0.474 1.00 0.00 C ATOM 322 C ASP A 451 -16.474 -6.177 -1.420 1.00 0.00 C ATOM 323 O ASP A 451 -16.750 -5.461 -2.381 1.00 0.00 O ATOM 324 CB ASP A 451 -18.087 -8.030 -0.930 1.00 0.00 C ATOM 325 CG ASP A 451 -17.893 -9.107 0.120 1.00 0.00 C ATOM 326 OD1 ASP A 451 -16.805 -9.150 0.732 1.00 0.00 O ATOM 327 OD2 ASP A 451 -18.827 -9.909 0.329 1.00 0.00 O ATOM 0 HA ASP A 451 -17.120 -6.754 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -19.147 -7.946 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -17.576 -8.324 -1.847 1.00 0.00 H new ATOM 334 N VAL A 452 -15.234 -6.566 -1.139 1.00 0.00 N ATOM 335 CA VAL A 452 -14.103 -6.163 -1.965 1.00 0.00 C ATOM 336 C VAL A 452 -12.825 -6.870 -1.524 1.00 0.00 C ATOM 337 O VAL A 452 -12.615 -7.107 -0.336 1.00 0.00 O ATOM 338 CB VAL A 452 -13.887 -4.638 -1.912 1.00 0.00 C ATOM 339 CG1 VAL A 452 -13.644 -4.180 -0.481 1.00 0.00 C ATOM 340 CG2 VAL A 452 -12.734 -4.225 -2.818 1.00 0.00 C ATOM 0 H VAL A 452 -14.988 -7.159 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.335 -6.450 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.792 -4.151 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -13.494 -3.101 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -14.507 -4.435 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.757 -4.676 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -12.599 -3.145 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.820 -4.721 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.957 -4.513 -3.845 1.00 0.00 H new ATOM 350 N GLN A 453 -11.975 -7.205 -2.488 1.00 0.00 N ATOM 351 CA GLN A 453 -10.717 -7.888 -2.196 1.00 0.00 C ATOM 352 C GLN A 453 -9.533 -7.105 -2.754 1.00 0.00 C ATOM 353 O GLN A 453 -9.568 -6.634 -3.890 1.00 0.00 O ATOM 354 CB GLN A 453 -10.721 -9.308 -2.767 1.00 0.00 C ATOM 355 CG GLN A 453 -12.058 -9.742 -3.347 1.00 0.00 C ATOM 356 CD GLN A 453 -12.164 -11.246 -3.505 1.00 0.00 C ATOM 357 OE1 GLN A 453 -11.275 -11.991 -3.092 1.00 0.00 O ATOM 358 NE2 GLN A 453 -13.257 -11.701 -4.107 1.00 0.00 N ATOM 0 H GLN A 453 -12.132 -7.016 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.616 -7.949 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -9.960 -9.377 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -10.436 -10.005 -1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -12.862 -9.391 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.200 -9.267 -4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -13.969 -11.048 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -13.385 -12.704 -4.243 1.00 0.00 H new ATOM 367 N VAL A 454 -8.484 -6.972 -1.946 1.00 0.00 N ATOM 368 CA VAL A 454 -7.291 -6.247 -2.364 1.00 0.00 C ATOM 369 C VAL A 454 -6.670 -6.892 -3.590 1.00 0.00 C ATOM 370 O VAL A 454 -6.241 -8.045 -3.551 1.00 0.00 O ATOM 371 CB VAL A 454 -6.257 -6.165 -1.221 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.825 -6.130 -1.749 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.546 -4.942 -0.379 1.00 0.00 C ATOM 0 H VAL A 454 -8.437 -7.356 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.595 -5.232 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.346 -7.063 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -4.130 -6.072 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.627 -7.035 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.695 -5.258 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.819 -4.878 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.478 -4.049 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.550 -5.017 0.040 1.00 0.00 H new ATOM 383 N THR A 455 -6.642 -6.145 -4.683 1.00 0.00 N ATOM 384 CA THR A 455 -6.092 -6.654 -5.922 1.00 0.00 C ATOM 385 C THR A 455 -5.121 -5.691 -6.563 1.00 0.00 C ATOM 386 O THR A 455 -5.034 -4.521 -6.192 1.00 0.00 O ATOM 387 CB THR A 455 -7.217 -6.959 -6.894 1.00 0.00 C ATOM 388 OG1 THR A 455 -8.090 -5.847 -7.015 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.034 -8.142 -6.448 1.00 0.00 C ATOM 0 H THR A 455 -6.993 -5.189 -4.734 1.00 0.00 H new ATOM 0 HA THR A 455 -5.541 -7.563 -5.681 1.00 0.00 H new ATOM 0 HB THR A 455 -6.748 -7.183 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.808 -6.062 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.829 -8.328 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.393 -9.021 -6.379 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.472 -7.934 -5.472 1.00 0.00 H new ATOM 397 N GLU A 456 -4.410 -6.203 -7.550 1.00 0.00 N ATOM 398 CA GLU A 456 -3.451 -5.424 -8.294 1.00 0.00 C ATOM 399 C GLU A 456 -4.156 -4.326 -9.068 1.00 0.00 C ATOM 400 O GLU A 456 -3.833 -3.147 -8.939 1.00 0.00 O ATOM 401 CB GLU A 456 -2.706 -6.339 -9.256 1.00 0.00 C ATOM 402 CG GLU A 456 -1.448 -6.949 -8.665 1.00 0.00 C ATOM 403 CD GLU A 456 -0.597 -7.651 -9.705 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.347 -7.050 -10.771 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.182 -8.801 -9.455 1.00 0.00 O ATOM 0 H GLU A 456 -4.485 -7.173 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.745 -4.964 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.374 -7.140 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.440 -5.774 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.859 -6.166 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.724 -7.660 -7.887 1.00 0.00 H new ATOM 412 N ASP A 457 -5.127 -4.736 -9.871 1.00 0.00 N ATOM 413 CA ASP A 457 -5.902 -3.806 -10.689 1.00 0.00 C ATOM 414 C ASP A 457 -6.444 -2.645 -9.861 1.00 0.00 C ATOM 415 O ASP A 457 -6.658 -1.548 -10.377 1.00 0.00 O ATOM 416 CB ASP A 457 -7.051 -4.540 -11.376 1.00 0.00 C ATOM 417 CG ASP A 457 -6.939 -4.506 -12.889 1.00 0.00 C ATOM 418 OD1 ASP A 457 -5.920 -4.994 -13.420 1.00 0.00 O ATOM 419 OD2 ASP A 457 -7.871 -3.990 -13.541 1.00 0.00 O ATOM 0 H ASP A 457 -5.401 -5.713 -9.976 1.00 0.00 H new ATOM 0 HA ASP A 457 -5.233 -3.394 -11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -7.069 -5.577 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.997 -4.091 -11.075 1.00 0.00 H new ATOM 424 N ALA A 458 -6.671 -2.898 -8.581 1.00 0.00 N ATOM 425 CA ALA A 458 -7.196 -1.879 -7.683 1.00 0.00 C ATOM 426 C ALA A 458 -6.121 -0.881 -7.271 1.00 0.00 C ATOM 427 O ALA A 458 -6.400 0.304 -7.102 1.00 0.00 O ATOM 428 CB ALA A 458 -7.813 -2.528 -6.454 1.00 0.00 C ATOM 0 H ALA A 458 -6.500 -3.801 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.967 -1.329 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.202 -1.755 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.626 -3.186 -6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -7.054 -3.108 -5.929 1.00 0.00 H new ATOM 434 N VAL A 459 -4.894 -1.359 -7.098 1.00 0.00 N ATOM 435 CA VAL A 459 -3.800 -0.488 -6.696 1.00 0.00 C ATOM 436 C VAL A 459 -3.310 0.363 -7.859 1.00 0.00 C ATOM 437 O VAL A 459 -2.870 1.496 -7.667 1.00 0.00 O ATOM 438 CB VAL A 459 -2.620 -1.277 -6.106 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.626 -0.331 -5.452 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.115 -2.309 -5.106 1.00 0.00 C ATOM 0 H VAL A 459 -4.635 -2.337 -7.229 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.199 0.165 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.115 -1.802 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.796 -0.904 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.248 0.370 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.120 0.220 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.266 -2.858 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.644 -1.806 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.791 -3.004 -5.605 1.00 0.00 H new ATOM 450 N ARG A 460 -3.396 -0.184 -9.063 1.00 0.00 N ATOM 451 CA ARG A 460 -2.967 0.539 -10.255 1.00 0.00 C ATOM 452 C ARG A 460 -3.797 1.809 -10.429 1.00 0.00 C ATOM 453 O ARG A 460 -3.268 2.868 -10.764 1.00 0.00 O ATOM 454 CB ARG A 460 -3.085 -0.342 -11.504 1.00 0.00 C ATOM 455 CG ARG A 460 -2.527 -1.750 -11.332 1.00 0.00 C ATOM 456 CD ARG A 460 -1.099 -1.742 -10.799 1.00 0.00 C ATOM 457 NE ARG A 460 -0.128 -2.095 -11.833 1.00 0.00 N ATOM 458 CZ ARG A 460 0.391 -1.223 -12.696 1.00 0.00 C ATOM 459 NH1 ARG A 460 0.037 0.056 -12.656 1.00 0.00 N ATOM 460 NH2 ARG A 460 1.269 -1.632 -13.602 1.00 0.00 N ATOM 0 H ARG A 460 -3.757 -1.121 -9.242 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.920 0.812 -10.127 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.135 -0.412 -11.787 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.564 0.145 -12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.165 -2.311 -10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.552 -2.269 -12.290 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.865 -0.754 -10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.017 -2.445 -9.970 1.00 0.00 H new ATOM 0 HE ARG A 460 0.170 -3.068 -11.898 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.637 0.377 -11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.439 0.717 -13.320 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.546 -2.613 -13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 460 1.667 -0.966 -14.263 1.00 0.00 H new ATOM 474 N ARG A 461 -5.101 1.695 -10.182 1.00 0.00 N ATOM 475 CA ARG A 461 -6.006 2.831 -10.294 1.00 0.00 C ATOM 476 C ARG A 461 -5.676 3.879 -9.239 1.00 0.00 C ATOM 477 O ARG A 461 -5.885 5.074 -9.449 1.00 0.00 O ATOM 478 CB ARG A 461 -7.459 2.368 -10.163 1.00 0.00 C ATOM 479 CG ARG A 461 -7.799 1.862 -8.780 1.00 0.00 C ATOM 480 CD ARG A 461 -9.136 2.392 -8.293 1.00 0.00 C ATOM 481 NE ARG A 461 -10.071 1.314 -7.981 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.361 1.505 -7.716 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.873 2.729 -7.723 1.00 0.00 N ATOM 484 NH2 ARG A 461 -12.141 0.468 -7.442 1.00 0.00 N ATOM 0 H ARG A 461 -5.552 0.824 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 461 -5.878 3.284 -11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.122 3.196 -10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.649 1.578 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.822 0.772 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.016 2.159 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -8.981 3.006 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.569 3.038 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 461 -9.714 0.359 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.277 3.530 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.863 2.869 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.752 -0.475 -7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -13.130 0.613 -7.239 1.00 0.00 H new ATOM 498 N TYR A 462 -5.139 3.428 -8.109 1.00 0.00 N ATOM 499 CA TYR A 462 -4.761 4.335 -7.036 1.00 0.00 C ATOM 500 C TYR A 462 -3.644 5.254 -7.511 1.00 0.00 C ATOM 501 O TYR A 462 -3.687 6.462 -7.303 1.00 0.00 O ATOM 502 CB TYR A 462 -4.305 3.550 -5.799 1.00 0.00 C ATOM 503 CG TYR A 462 -5.359 2.625 -5.223 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.671 2.645 -5.691 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.041 1.727 -4.210 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.630 1.800 -5.166 1.00 0.00 C ATOM 507 CE2 TYR A 462 -5.996 0.878 -3.682 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.288 0.919 -4.164 1.00 0.00 C ATOM 509 OH TYR A 462 -8.241 0.077 -3.640 1.00 0.00 O ATOM 0 H TYR A 462 -4.957 2.443 -7.915 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.630 4.934 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.426 2.961 -6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.998 4.256 -5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -6.943 3.333 -6.478 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.031 1.692 -3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.643 1.830 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.732 0.186 -2.896 1.00 0.00 H new ATOM 0 HH TYR A 462 -7.827 -0.514 -2.977 1.00 0.00 H new ATOM 519 N LEU A 463 -2.652 4.661 -8.164 1.00 0.00 N ATOM 520 CA LEU A 463 -1.515 5.402 -8.691 1.00 0.00 C ATOM 521 C LEU A 463 -1.955 6.368 -9.777 1.00 0.00 C ATOM 522 O LEU A 463 -1.760 7.578 -9.660 1.00 0.00 O ATOM 523 CB LEU A 463 -0.477 4.441 -9.255 1.00 0.00 C ATOM 524 CG LEU A 463 -0.462 3.041 -8.646 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.724 2.259 -9.173 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.427 3.116 -7.125 1.00 0.00 C ATOM 0 H LEU A 463 -2.614 3.657 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.075 5.972 -7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.643 4.347 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.510 4.884 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.377 2.524 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.727 1.262 -8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.653 2.177 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.647 2.775 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.417 2.108 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.470 3.648 -6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.309 3.646 -6.766 1.00 0.00 H new ATOM 538 N THR A 464 -2.559 5.828 -10.831 1.00 0.00 N ATOM 539 CA THR A 464 -3.039 6.647 -11.935 1.00 0.00 C ATOM 540 C THR A 464 -3.832 7.835 -11.404 1.00 0.00 C ATOM 541 O THR A 464 -3.910 8.884 -12.043 1.00 0.00 O ATOM 542 CB THR A 464 -3.905 5.813 -12.882 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.258 4.579 -12.284 1.00 0.00 O ATOM 544 CG2 THR A 464 -3.226 5.508 -14.200 1.00 0.00 C ATOM 0 H THR A 464 -2.727 4.828 -10.942 1.00 0.00 H new ATOM 0 HA THR A 464 -2.178 7.020 -12.490 1.00 0.00 H new ATOM 0 HB THR A 464 -4.787 6.422 -13.078 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.474 3.991 -12.259 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.894 4.914 -14.824 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.986 6.441 -14.710 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.309 4.949 -14.016 1.00 0.00 H new ATOM 552 N ARG A 465 -4.410 7.657 -10.221 1.00 0.00 N ATOM 553 CA ARG A 465 -5.185 8.701 -9.589 1.00 0.00 C ATOM 554 C ARG A 465 -4.292 9.593 -8.724 1.00 0.00 C ATOM 555 O ARG A 465 -4.338 10.819 -8.827 1.00 0.00 O ATOM 556 CB ARG A 465 -6.305 8.097 -8.741 1.00 0.00 C ATOM 557 CG ARG A 465 -7.384 9.096 -8.355 1.00 0.00 C ATOM 558 CD ARG A 465 -8.478 8.442 -7.527 1.00 0.00 C ATOM 559 NE ARG A 465 -8.113 8.344 -6.117 1.00 0.00 N ATOM 560 CZ ARG A 465 -8.961 7.990 -5.154 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.224 7.700 -5.446 1.00 0.00 N ATOM 562 NH2 ARG A 465 -8.547 7.924 -3.897 1.00 0.00 N ATOM 0 H ARG A 465 -4.352 6.792 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.630 9.314 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.763 7.275 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -5.874 7.672 -7.834 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.938 9.914 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.818 9.530 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.399 9.017 -7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.682 7.445 -7.919 1.00 0.00 H new ATOM 0 HE ARG A 465 -7.151 8.560 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.548 7.748 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.870 7.429 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -7.578 8.145 -3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -9.197 7.653 -3.159 1.00 0.00 H new ATOM 576 N LYS A 466 -3.475 8.967 -7.874 1.00 0.00 N ATOM 577 CA LYS A 466 -2.566 9.703 -6.996 1.00 0.00 C ATOM 578 C LYS A 466 -1.604 8.752 -6.275 1.00 0.00 C ATOM 579 O LYS A 466 -1.832 7.544 -6.224 1.00 0.00 O ATOM 580 CB LYS A 466 -3.348 10.540 -5.974 1.00 0.00 C ATOM 581 CG LYS A 466 -4.668 9.921 -5.545 1.00 0.00 C ATOM 582 CD LYS A 466 -4.476 8.500 -5.049 1.00 0.00 C ATOM 583 CE LYS A 466 -3.729 8.467 -3.725 1.00 0.00 C ATOM 584 NZ LYS A 466 -4.641 8.198 -2.578 1.00 0.00 N ATOM 0 H LYS A 466 -3.425 7.953 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 466 -1.979 10.377 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -2.726 10.691 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.542 11.525 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -5.116 10.526 -4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -5.363 9.925 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -5.448 8.020 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.925 7.925 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -2.957 7.698 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.223 9.420 -3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -4.093 8.184 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -5.363 8.945 -2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.105 7.277 -2.712 1.00 0.00 H new ATOM 598 N PRO A 467 -0.500 9.286 -5.721 1.00 0.00 N ATOM 599 CA PRO A 467 0.506 8.480 -5.020 1.00 0.00 C ATOM 600 C PRO A 467 0.111 8.135 -3.586 1.00 0.00 C ATOM 601 O PRO A 467 -0.742 8.790 -2.989 1.00 0.00 O ATOM 602 CB PRO A 467 1.729 9.390 -5.038 1.00 0.00 C ATOM 603 CG PRO A 467 1.157 10.760 -4.968 1.00 0.00 C ATOM 604 CD PRO A 467 -0.131 10.715 -5.751 1.00 0.00 C ATOM 0 HA PRO A 467 0.656 7.510 -5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.389 9.189 -4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.318 9.249 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.975 11.054 -3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.845 11.492 -5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.900 11.338 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.006 11.073 -6.771 1.00 0.00 H new ATOM 612 N MET A 468 0.746 7.097 -3.040 1.00 0.00 N ATOM 613 CA MET A 468 0.471 6.655 -1.675 1.00 0.00 C ATOM 614 C MET A 468 1.644 5.872 -1.098 1.00 0.00 C ATOM 615 O MET A 468 2.542 5.443 -1.820 1.00 0.00 O ATOM 616 CB MET A 468 -0.778 5.758 -1.628 1.00 0.00 C ATOM 617 CG MET A 468 -0.534 4.333 -2.110 1.00 0.00 C ATOM 618 SD MET A 468 0.033 4.262 -3.822 1.00 0.00 S ATOM 619 CE MET A 468 1.525 3.286 -3.647 1.00 0.00 C ATOM 0 H MET A 468 1.455 6.547 -3.524 1.00 0.00 H new ATOM 0 HA MET A 468 0.306 7.554 -1.081 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.152 5.726 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.560 6.209 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 468 0.207 3.858 -1.467 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.455 3.759 -2.013 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.805 2.872 -4.616 1.00 0.00 H new ATOM 0 HE2 MET A 468 2.332 3.918 -3.276 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.348 2.473 -2.943 1.00 0.00 H new ATOM 629 N THR A 469 1.585 5.644 0.207 1.00 0.00 N ATOM 630 CA THR A 469 2.592 4.855 0.895 1.00 0.00 C ATOM 631 C THR A 469 2.016 3.460 1.105 1.00 0.00 C ATOM 632 O THR A 469 0.857 3.223 0.767 1.00 0.00 O ATOM 633 CB THR A 469 2.960 5.486 2.241 1.00 0.00 C ATOM 634 OG1 THR A 469 2.004 5.150 3.230 1.00 0.00 O ATOM 635 CG2 THR A 469 3.059 6.995 2.194 1.00 0.00 C ATOM 0 H THR A 469 0.844 5.998 0.812 1.00 0.00 H new ATOM 0 HA THR A 469 3.504 4.811 0.299 1.00 0.00 H new ATOM 0 HB THR A 469 3.943 5.084 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 469 1.596 5.969 3.582 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.323 7.373 3.182 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.826 7.287 1.477 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.100 7.413 1.890 1.00 0.00 H new ATOM 643 N THR A 470 2.792 2.534 1.649 1.00 0.00 N ATOM 644 CA THR A 470 2.278 1.184 1.862 1.00 0.00 C ATOM 645 C THR A 470 1.255 1.151 2.985 1.00 0.00 C ATOM 646 O THR A 470 0.317 0.355 2.954 1.00 0.00 O ATOM 647 CB THR A 470 3.411 0.197 2.131 1.00 0.00 C ATOM 648 OG1 THR A 470 4.588 0.874 2.530 1.00 0.00 O ATOM 649 CG2 THR A 470 3.747 -0.648 0.924 1.00 0.00 C ATOM 0 H THR A 470 3.756 2.683 1.945 1.00 0.00 H new ATOM 0 HA THR A 470 1.776 0.878 0.944 1.00 0.00 H new ATOM 0 HB THR A 470 3.052 -0.454 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.357 1.590 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.559 -1.331 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.869 -1.221 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.055 -0.002 0.102 1.00 0.00 H new ATOM 657 N LYS A 471 1.417 2.032 3.956 1.00 0.00 N ATOM 658 CA LYS A 471 0.476 2.107 5.063 1.00 0.00 C ATOM 659 C LYS A 471 -0.779 2.819 4.608 1.00 0.00 C ATOM 660 O LYS A 471 -1.896 2.340 4.798 1.00 0.00 O ATOM 661 CB LYS A 471 1.061 2.828 6.286 1.00 0.00 C ATOM 662 CG LYS A 471 1.928 4.053 5.996 1.00 0.00 C ATOM 663 CD LYS A 471 3.341 3.701 5.539 1.00 0.00 C ATOM 664 CE LYS A 471 3.858 2.411 6.167 1.00 0.00 C ATOM 665 NZ LYS A 471 5.344 2.316 6.105 1.00 0.00 N ATOM 0 H LYS A 471 2.185 2.702 4.002 1.00 0.00 H new ATOM 0 HA LYS A 471 0.248 1.086 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 471 0.237 3.136 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.657 2.113 6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 471 1.445 4.657 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 471 1.987 4.668 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.353 3.602 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.015 4.519 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 471 3.535 2.359 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 471 3.418 1.556 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.616 1.420 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 5.720 3.111 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.735 2.350 7.068 1.00 0.00 H new ATOM 679 N ASP A 472 -0.573 3.969 3.997 1.00 0.00 N ATOM 680 CA ASP A 472 -1.676 4.777 3.488 1.00 0.00 C ATOM 681 C ASP A 472 -2.518 3.990 2.486 1.00 0.00 C ATOM 682 O ASP A 472 -3.725 4.205 2.380 1.00 0.00 O ATOM 683 CB ASP A 472 -1.147 6.055 2.837 1.00 0.00 C ATOM 684 CG ASP A 472 -2.261 7.001 2.435 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.031 6.656 1.516 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.363 8.088 3.042 1.00 0.00 O ATOM 0 H ASP A 472 0.351 4.371 3.838 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.311 5.046 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.476 6.562 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.559 5.795 1.957 1.00 0.00 H new ATOM 691 N LEU A 473 -1.883 3.074 1.749 1.00 0.00 N ATOM 692 CA LEU A 473 -2.604 2.269 0.766 1.00 0.00 C ATOM 693 C LEU A 473 -3.521 1.268 1.459 1.00 0.00 C ATOM 694 O LEU A 473 -4.640 1.019 1.012 1.00 0.00 O ATOM 695 CB LEU A 473 -1.626 1.541 -0.148 1.00 0.00 C ATOM 696 CG LEU A 473 -2.076 1.400 -1.602 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.872 1.219 -2.514 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.036 0.229 -1.748 1.00 0.00 C ATOM 0 H LEU A 473 -0.885 2.875 1.814 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.216 2.938 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.673 2.070 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.446 0.546 0.258 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.597 2.312 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.209 1.120 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.217 2.086 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.327 0.321 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.348 0.142 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -2.538 -0.690 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.911 0.396 -1.120 1.00 0.00 H new ATOM 710 N LEU A 474 -3.029 0.700 2.549 1.00 0.00 N ATOM 711 CA LEU A 474 -3.796 -0.282 3.321 1.00 0.00 C ATOM 712 C LEU A 474 -4.743 0.387 4.314 1.00 0.00 C ATOM 713 O LEU A 474 -5.819 -0.134 4.603 1.00 0.00 O ATOM 714 CB LEU A 474 -2.891 -1.255 4.081 1.00 0.00 C ATOM 715 CG LEU A 474 -1.726 -0.615 4.820 1.00 0.00 C ATOM 716 CD1 LEU A 474 -2.147 -0.189 6.218 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.542 -1.569 4.881 1.00 0.00 C ATOM 0 H LEU A 474 -2.102 0.898 2.924 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.379 -0.840 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.498 -1.804 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.495 -1.985 3.375 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.419 0.275 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.300 0.267 6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.960 0.533 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.483 -1.061 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.282 -1.093 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.835 -2.479 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.224 -1.819 3.869 1.00 0.00 H new ATOM 729 N LYS A 475 -4.329 1.533 4.847 1.00 0.00 N ATOM 730 CA LYS A 475 -5.136 2.260 5.826 1.00 0.00 C ATOM 731 C LYS A 475 -6.585 2.386 5.368 1.00 0.00 C ATOM 732 O LYS A 475 -7.498 2.480 6.188 1.00 0.00 O ATOM 733 CB LYS A 475 -4.539 3.646 6.081 1.00 0.00 C ATOM 734 CG LYS A 475 -3.733 3.728 7.370 1.00 0.00 C ATOM 735 CD LYS A 475 -2.286 4.105 7.103 1.00 0.00 C ATOM 736 CE LYS A 475 -1.648 4.758 8.317 1.00 0.00 C ATOM 737 NZ LYS A 475 -2.340 6.020 8.698 1.00 0.00 N ATOM 0 H LYS A 475 -3.441 1.979 4.619 1.00 0.00 H new ATOM 0 HA LYS A 475 -5.126 1.692 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.898 3.918 5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.344 4.380 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -4.184 4.464 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.770 2.768 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.721 3.214 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.237 4.787 6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.672 4.064 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.599 4.968 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -1.666 6.658 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -2.716 6.481 7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -3.123 5.804 9.348 1.00 0.00 H new ATOM 751 N LYS A 476 -6.790 2.382 4.056 1.00 0.00 N ATOM 752 CA LYS A 476 -8.130 2.493 3.500 1.00 0.00 C ATOM 753 C LYS A 476 -8.809 1.127 3.420 1.00 0.00 C ATOM 754 O LYS A 476 -9.986 0.993 3.755 1.00 0.00 O ATOM 755 CB LYS A 476 -8.096 3.149 2.114 1.00 0.00 C ATOM 756 CG LYS A 476 -6.921 2.715 1.256 1.00 0.00 C ATOM 757 CD LYS A 476 -7.315 2.578 -0.206 1.00 0.00 C ATOM 758 CE LYS A 476 -7.482 1.120 -0.604 1.00 0.00 C ATOM 759 NZ LYS A 476 -8.804 0.866 -1.240 1.00 0.00 N ATOM 0 H LYS A 476 -6.048 2.303 3.361 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.712 3.126 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -9.022 2.915 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -8.064 4.232 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -6.114 3.442 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -6.536 1.763 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -8.247 3.114 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -6.555 3.043 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -6.687 0.839 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.376 0.488 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -9.142 -0.080 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -9.487 1.581 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -8.708 0.919 -2.274 1.00 0.00 H new ATOM 773 N PHE A 477 -8.065 0.114 2.980 1.00 0.00 N ATOM 774 CA PHE A 477 -8.599 -1.234 2.862 1.00 0.00 C ATOM 775 C PHE A 477 -8.976 -1.799 4.223 1.00 0.00 C ATOM 776 O PHE A 477 -10.013 -2.443 4.379 1.00 0.00 O ATOM 777 CB PHE A 477 -7.568 -2.140 2.200 1.00 0.00 C ATOM 778 CG PHE A 477 -7.630 -2.127 0.702 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.806 -2.441 0.040 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.512 -1.800 -0.043 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.863 -2.428 -1.340 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.562 -1.786 -1.420 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.739 -2.100 -2.072 1.00 0.00 C ATOM 0 H PHE A 477 -7.089 0.206 2.700 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.499 -1.189 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.571 -1.834 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.715 -3.161 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.687 -2.699 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.589 -1.553 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.785 -2.674 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.681 -1.530 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.780 -2.089 -3.151 1.00 0.00 H new ATOM 793 N GLN A 478 -8.119 -1.558 5.200 1.00 0.00 N ATOM 794 CA GLN A 478 -8.341 -2.043 6.558 1.00 0.00 C ATOM 795 C GLN A 478 -9.707 -1.605 7.080 1.00 0.00 C ATOM 796 O GLN A 478 -9.954 -0.416 7.277 1.00 0.00 O ATOM 797 CB GLN A 478 -7.239 -1.531 7.489 1.00 0.00 C ATOM 798 CG GLN A 478 -5.860 -2.076 7.158 1.00 0.00 C ATOM 799 CD GLN A 478 -4.812 -1.663 8.172 1.00 0.00 C ATOM 800 OE1 GLN A 478 -4.034 -2.489 8.649 1.00 0.00 O ATOM 801 NE2 GLN A 478 -4.787 -0.378 8.507 1.00 0.00 N ATOM 0 H GLN A 478 -7.257 -1.026 5.080 1.00 0.00 H new ATOM 0 HA GLN A 478 -8.315 -3.132 6.536 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.211 -0.442 7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -7.489 -1.798 8.516 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -5.905 -3.164 7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -5.562 -1.725 6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -5.451 0.272 8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -4.104 -0.041 9.185 1.00 0.00 H new ATOM 810 N THR A 479 -10.589 -2.577 7.302 1.00 0.00 N ATOM 811 CA THR A 479 -11.936 -2.306 7.803 1.00 0.00 C ATOM 812 C THR A 479 -12.847 -1.762 6.698 1.00 0.00 C ATOM 813 O THR A 479 -14.003 -1.422 6.952 1.00 0.00 O ATOM 814 CB THR A 479 -11.883 -1.336 8.998 1.00 0.00 C ATOM 815 OG1 THR A 479 -12.753 -1.770 10.029 1.00 0.00 O ATOM 816 CG2 THR A 479 -12.259 0.097 8.663 1.00 0.00 C ATOM 0 H THR A 479 -10.394 -3.565 7.142 1.00 0.00 H new ATOM 0 HA THR A 479 -12.362 -3.250 8.143 1.00 0.00 H new ATOM 0 HB THR A 479 -10.839 -1.345 9.311 1.00 0.00 H new ATOM 0 HG1 THR A 479 -12.706 -1.144 10.781 1.00 0.00 H new ATOM 0 HG21 THR A 479 -12.194 0.710 9.562 1.00 0.00 H new ATOM 0 HG22 THR A 479 -11.575 0.486 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 479 -13.278 0.125 8.277 1.00 0.00 H new ATOM 824 N LYS A 480 -12.325 -1.681 5.476 1.00 0.00 N ATOM 825 CA LYS A 480 -13.101 -1.177 4.348 1.00 0.00 C ATOM 826 C LYS A 480 -14.278 -2.097 4.044 1.00 0.00 C ATOM 827 O LYS A 480 -15.426 -1.656 3.992 1.00 0.00 O ATOM 828 CB LYS A 480 -12.213 -1.043 3.110 1.00 0.00 C ATOM 829 CG LYS A 480 -12.670 0.040 2.145 1.00 0.00 C ATOM 830 CD LYS A 480 -12.778 1.390 2.834 1.00 0.00 C ATOM 831 CE LYS A 480 -12.269 2.512 1.943 1.00 0.00 C ATOM 832 NZ LYS A 480 -11.878 3.713 2.731 1.00 0.00 N ATOM 0 H LYS A 480 -11.371 -1.957 5.243 1.00 0.00 H new ATOM 0 HA LYS A 480 -13.489 -0.195 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -11.193 -0.828 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -12.189 -1.998 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.967 0.109 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -13.637 -0.232 1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -13.817 1.580 3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -12.206 1.373 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -11.412 2.159 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -13.043 2.785 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -11.537 4.455 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -12.702 4.065 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -11.122 3.459 3.398 1.00 0.00 H new ATOM 846 N LYS A 481 -13.984 -3.378 3.843 1.00 0.00 N ATOM 847 CA LYS A 481 -15.018 -4.364 3.544 1.00 0.00 C ATOM 848 C LYS A 481 -14.415 -5.744 3.313 1.00 0.00 C ATOM 849 O LYS A 481 -15.048 -6.762 3.594 1.00 0.00 O ATOM 850 CB LYS A 481 -15.829 -3.937 2.316 1.00 0.00 C ATOM 851 CG LYS A 481 -17.328 -4.133 2.480 1.00 0.00 C ATOM 852 CD LYS A 481 -18.035 -2.817 2.770 1.00 0.00 C ATOM 853 CE LYS A 481 -19.050 -2.478 1.690 1.00 0.00 C ATOM 854 NZ LYS A 481 -19.699 -1.161 1.932 1.00 0.00 N ATOM 0 H LYS A 481 -13.038 -3.758 3.882 1.00 0.00 H new ATOM 0 HA LYS A 481 -15.681 -4.420 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -15.629 -2.886 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.489 -4.505 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -17.739 -4.576 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -17.517 -4.835 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -18.537 -2.878 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -17.299 -2.016 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -18.556 -2.466 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -19.812 -3.256 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -20.384 -0.967 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -20.192 -1.180 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -18.975 -0.414 1.944 1.00 0.00 H new ATOM 868 N THR A 482 -13.187 -5.774 2.807 1.00 0.00 N ATOM 869 CA THR A 482 -12.500 -7.035 2.548 1.00 0.00 C ATOM 870 C THR A 482 -12.534 -7.941 3.778 1.00 0.00 C ATOM 871 O THR A 482 -12.374 -9.156 3.668 1.00 0.00 O ATOM 872 CB THR A 482 -11.046 -6.779 2.138 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.250 -6.491 3.274 1.00 0.00 O ATOM 874 CG2 THR A 482 -10.882 -5.633 1.163 1.00 0.00 C ATOM 0 H THR A 482 -12.648 -4.942 2.568 1.00 0.00 H new ATOM 0 HA THR A 482 -13.021 -7.536 1.732 1.00 0.00 H new ATOM 0 HB THR A 482 -10.724 -7.697 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 482 -9.368 -6.177 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 482 -9.827 -5.511 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.443 -5.846 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.258 -4.715 1.614 1.00 0.00 H new ATOM 882 N GLY A 483 -12.733 -7.341 4.951 1.00 0.00 N ATOM 883 CA GLY A 483 -12.770 -8.112 6.177 1.00 0.00 C ATOM 884 C GLY A 483 -11.431 -8.746 6.483 1.00 0.00 C ATOM 885 O GLY A 483 -11.342 -9.667 7.296 1.00 0.00 O ATOM 0 H GLY A 483 -12.869 -6.337 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.063 -7.466 7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.530 -8.889 6.095 1.00 0.00 H new ATOM 889 N LEU A 484 -10.389 -8.254 5.824 1.00 0.00 N ATOM 890 CA LEU A 484 -9.050 -8.777 6.020 1.00 0.00 C ATOM 891 C LEU A 484 -8.363 -8.100 7.200 1.00 0.00 C ATOM 892 O LEU A 484 -8.338 -6.873 7.299 1.00 0.00 O ATOM 893 CB LEU A 484 -8.215 -8.601 4.750 1.00 0.00 C ATOM 894 CG LEU A 484 -7.843 -9.905 4.041 1.00 0.00 C ATOM 895 CD1 LEU A 484 -9.020 -10.424 3.231 1.00 0.00 C ATOM 896 CD2 LEU A 484 -6.625 -9.703 3.152 1.00 0.00 C ATOM 0 H LEU A 484 -10.450 -7.492 5.149 1.00 0.00 H new ATOM 0 HA LEU A 484 -9.135 -9.841 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.767 -7.970 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.299 -8.068 5.005 1.00 0.00 H new ATOM 0 HG LEU A 484 -7.592 -10.649 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -8.738 -11.352 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.864 -10.610 3.895 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.302 -9.683 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.376 -10.642 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -6.844 -8.944 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -5.780 -9.379 3.760 1.00 0.00 H new ATOM 908 N SER A 485 -7.807 -8.913 8.092 1.00 0.00 N ATOM 909 CA SER A 485 -7.112 -8.412 9.275 1.00 0.00 C ATOM 910 C SER A 485 -6.200 -7.237 8.937 1.00 0.00 C ATOM 911 O SER A 485 -5.663 -7.153 7.833 1.00 0.00 O ATOM 912 CB SER A 485 -6.284 -9.526 9.905 1.00 0.00 C ATOM 913 OG SER A 485 -6.603 -9.689 11.277 1.00 0.00 O ATOM 0 H SER A 485 -7.824 -9.930 8.018 1.00 0.00 H new ATOM 0 HA SER A 485 -7.869 -8.067 9.979 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.463 -10.461 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.223 -9.298 9.800 1.00 0.00 H new ATOM 0 HG SER A 485 -6.059 -10.411 11.656 1.00 0.00 H new ATOM 919 N SER A 486 -6.017 -6.342 9.902 1.00 0.00 N ATOM 920 CA SER A 486 -5.153 -5.185 9.708 1.00 0.00 C ATOM 921 C SER A 486 -3.730 -5.630 9.386 1.00 0.00 C ATOM 922 O SER A 486 -2.948 -4.878 8.807 1.00 0.00 O ATOM 923 CB SER A 486 -5.156 -4.301 10.956 1.00 0.00 C ATOM 924 OG SER A 486 -6.390 -4.399 11.647 1.00 0.00 O ATOM 0 H SER A 486 -6.454 -6.396 10.822 1.00 0.00 H new ATOM 0 HA SER A 486 -5.538 -4.607 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.341 -4.596 11.617 1.00 0.00 H new ATOM 0 HB3 SER A 486 -4.976 -3.264 10.672 1.00 0.00 H new ATOM 0 HG SER A 486 -6.366 -3.826 12.442 1.00 0.00 H new ATOM 930 N GLU A 487 -3.406 -6.864 9.764 1.00 0.00 N ATOM 931 CA GLU A 487 -2.089 -7.425 9.521 1.00 0.00 C ATOM 932 C GLU A 487 -2.057 -8.167 8.195 1.00 0.00 C ATOM 933 O GLU A 487 -1.166 -7.961 7.371 1.00 0.00 O ATOM 934 CB GLU A 487 -1.689 -8.369 10.657 1.00 0.00 C ATOM 935 CG GLU A 487 -2.119 -7.888 12.033 1.00 0.00 C ATOM 936 CD GLU A 487 -1.420 -8.630 13.155 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.313 -9.871 13.070 1.00 0.00 O ATOM 938 OE2 GLU A 487 -0.980 -7.968 14.120 1.00 0.00 O ATOM 0 H GLU A 487 -4.047 -7.496 10.244 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.375 -6.603 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.126 -9.350 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.606 -8.495 10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.911 -6.822 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.197 -8.012 12.137 1.00 0.00 H new ATOM 945 N GLN A 488 -3.042 -9.028 7.999 1.00 0.00 N ATOM 946 CA GLN A 488 -3.145 -9.805 6.775 1.00 0.00 C ATOM 947 C GLN A 488 -3.334 -8.883 5.578 1.00 0.00 C ATOM 948 O GLN A 488 -2.713 -9.077 4.533 1.00 0.00 O ATOM 949 CB GLN A 488 -4.300 -10.801 6.866 1.00 0.00 C ATOM 950 CG GLN A 488 -3.853 -12.213 7.209 1.00 0.00 C ATOM 951 CD GLN A 488 -5.017 -13.140 7.497 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.135 -13.687 8.593 1.00 0.00 O ATOM 953 NE2 GLN A 488 -5.887 -13.322 6.509 1.00 0.00 N ATOM 0 H GLN A 488 -3.785 -9.207 8.675 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.219 -10.364 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.007 -10.458 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -4.832 -10.817 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.269 -12.616 6.382 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.196 -12.181 8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.751 -12.849 5.616 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.691 -13.935 6.644 1.00 0.00 H new ATOM 962 N THR A 489 -4.176 -7.862 5.745 1.00 0.00 N ATOM 963 CA THR A 489 -4.418 -6.896 4.676 1.00 0.00 C ATOM 964 C THR A 489 -3.088 -6.408 4.114 1.00 0.00 C ATOM 965 O THR A 489 -2.979 -6.068 2.937 1.00 0.00 O ATOM 966 CB THR A 489 -5.233 -5.710 5.194 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.470 -6.146 5.731 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.535 -4.682 4.125 1.00 0.00 C ATOM 0 H THR A 489 -4.697 -7.684 6.604 1.00 0.00 H new ATOM 0 HA THR A 489 -4.987 -7.385 3.886 1.00 0.00 H new ATOM 0 HB THR A 489 -4.612 -5.245 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.414 -6.163 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.115 -3.867 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.601 -4.289 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.107 -5.149 3.323 1.00 0.00 H new ATOM 976 N VAL A 490 -2.074 -6.398 4.974 1.00 0.00 N ATOM 977 CA VAL A 490 -0.732 -5.981 4.590 1.00 0.00 C ATOM 978 C VAL A 490 0.007 -7.138 3.939 1.00 0.00 C ATOM 979 O VAL A 490 0.693 -6.973 2.930 1.00 0.00 O ATOM 980 CB VAL A 490 0.064 -5.503 5.813 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.353 -4.821 5.392 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.789 -4.576 6.659 1.00 0.00 C ATOM 0 H VAL A 490 -2.160 -6.677 5.951 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.826 -5.157 3.883 1.00 0.00 H new ATOM 0 HB VAL A 490 0.333 -6.373 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.897 -4.492 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.968 -5.522 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.121 -3.958 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.216 -4.242 7.524 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.086 -3.712 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.679 -5.107 6.997 1.00 0.00 H new ATOM 992 N ASN A 491 -0.158 -8.316 4.526 1.00 0.00 N ATOM 993 CA ASN A 491 0.465 -9.529 4.020 1.00 0.00 C ATOM 994 C ASN A 491 -0.003 -9.802 2.594 1.00 0.00 C ATOM 995 O ASN A 491 0.739 -10.342 1.772 1.00 0.00 O ATOM 996 CB ASN A 491 0.116 -10.699 4.944 1.00 0.00 C ATOM 997 CG ASN A 491 0.348 -12.058 4.309 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.469 -12.399 3.933 1.00 0.00 O ATOM 999 ND2 ASN A 491 -0.721 -12.837 4.189 1.00 0.00 N ATOM 0 H ASN A 491 -0.725 -8.456 5.362 1.00 0.00 H new ATOM 0 HA ASN A 491 1.548 -9.406 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.712 -10.625 5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -0.930 -10.619 5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -0.633 -13.763 3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.630 -12.510 4.516 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.240 -9.412 2.310 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.823 -9.593 0.988 1.00 0.00 C ATOM 1008 C VAL A 492 -1.651 -8.334 0.142 1.00 0.00 C ATOM 1009 O VAL A 492 -1.885 -8.350 -1.063 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.323 -9.930 1.089 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.057 -8.843 1.860 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -3.931 -10.119 -0.293 1.00 0.00 C ATOM 0 H VAL A 492 -1.862 -8.965 2.984 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.300 -10.422 0.512 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.429 -10.869 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.116 -9.094 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.641 -8.766 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -3.940 -7.890 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -4.990 -10.356 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.816 -9.201 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.422 -10.935 -0.806 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.245 -7.241 0.779 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.046 -5.986 0.079 1.00 0.00 C ATOM 1024 C LEU A 493 0.388 -5.872 -0.431 1.00 0.00 C ATOM 1025 O LEU A 493 0.624 -5.473 -1.571 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.365 -4.802 0.998 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.049 -3.428 0.405 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.554 -3.324 -1.026 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.647 -2.324 1.256 1.00 0.00 C ATOM 0 H LEU A 493 -1.048 -7.203 1.779 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.724 -5.966 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.423 -4.836 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.806 -4.919 1.926 1.00 0.00 H new ATOM 0 HG LEU A 493 0.034 -3.309 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.317 -2.338 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.074 -4.088 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.634 -3.472 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -1.410 -1.356 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.729 -2.446 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -1.233 -2.376 2.263 1.00 0.00 H new ATOM 1041 N ALA A 494 1.341 -6.220 0.427 1.00 0.00 N ATOM 1042 CA ALA A 494 2.755 -6.153 0.077 1.00 0.00 C ATOM 1043 C ALA A 494 3.039 -6.857 -1.244 1.00 0.00 C ATOM 1044 O ALA A 494 3.920 -6.447 -1.998 1.00 0.00 O ATOM 1045 CB ALA A 494 3.602 -6.764 1.182 1.00 0.00 C ATOM 0 H ALA A 494 1.158 -6.553 1.374 1.00 0.00 H new ATOM 0 HA ALA A 494 3.017 -5.101 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.655 -6.707 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.439 -6.216 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.320 -7.807 1.322 1.00 0.00 H new ATOM 1051 N GLN A 495 2.299 -7.925 -1.510 1.00 0.00 N ATOM 1052 CA GLN A 495 2.480 -8.694 -2.727 1.00 0.00 C ATOM 1053 C GLN A 495 2.065 -7.902 -3.965 1.00 0.00 C ATOM 1054 O GLN A 495 2.720 -7.971 -5.006 1.00 0.00 O ATOM 1055 CB GLN A 495 1.681 -9.992 -2.643 1.00 0.00 C ATOM 1056 CG GLN A 495 0.305 -9.821 -2.044 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.791 -10.394 -2.923 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.840 -9.612 -3.141 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.694 -11.524 -3.400 1.00 0.00 N flip ATOM 0 H GLN A 495 1.566 -8.277 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 495 3.541 -8.923 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.582 -10.413 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.240 -10.714 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.275 -10.307 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.115 -8.761 -1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 495 0.132 -12.091 -3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.439 -11.894 -3.990 1.00 0.00 H new ATOM 1068 N ILE A 496 0.966 -7.168 -3.853 1.00 0.00 N ATOM 1069 CA ILE A 496 0.449 -6.380 -4.963 1.00 0.00 C ATOM 1070 C ILE A 496 1.223 -5.075 -5.172 1.00 0.00 C ATOM 1071 O ILE A 496 1.509 -4.694 -6.306 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.047 -6.052 -4.756 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.912 -7.271 -5.075 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.467 -4.873 -5.618 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.171 -7.354 -4.238 1.00 0.00 C ATOM 0 H ILE A 496 0.413 -7.102 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 496 0.575 -6.994 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.192 -5.783 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.187 -7.245 -6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.323 -8.175 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.524 -4.661 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.876 -3.997 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.303 -5.114 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.736 -8.243 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.903 -7.411 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.781 -6.467 -4.410 1.00 0.00 H new ATOM 1087 N LEU A 497 1.529 -4.382 -4.078 1.00 0.00 N ATOM 1088 CA LEU A 497 2.238 -3.100 -4.135 1.00 0.00 C ATOM 1089 C LEU A 497 3.321 -3.073 -5.224 1.00 0.00 C ATOM 1090 O LEU A 497 3.323 -2.193 -6.083 1.00 0.00 O ATOM 1091 CB LEU A 497 2.866 -2.789 -2.770 1.00 0.00 C ATOM 1092 CG LEU A 497 2.283 -1.585 -2.006 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.905 -0.439 -2.936 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.085 -2.012 -1.182 1.00 0.00 C ATOM 0 H LEU A 497 1.296 -4.687 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 497 1.503 -2.337 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 497 2.769 -3.673 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.932 -2.617 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 497 3.064 -1.217 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.499 0.386 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.790 -0.100 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.155 -0.781 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.685 -1.150 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.318 -2.420 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.390 -2.774 -0.464 1.00 0.00 H new ATOM 1106 N LYS A 498 4.253 -4.019 -5.166 1.00 0.00 N ATOM 1107 CA LYS A 498 5.351 -4.072 -6.133 1.00 0.00 C ATOM 1108 C LYS A 498 4.848 -4.225 -7.564 1.00 0.00 C ATOM 1109 O LYS A 498 5.535 -3.850 -8.514 1.00 0.00 O ATOM 1110 CB LYS A 498 6.318 -5.208 -5.795 1.00 0.00 C ATOM 1111 CG LYS A 498 5.668 -6.584 -5.773 1.00 0.00 C ATOM 1112 CD LYS A 498 5.184 -6.961 -4.380 1.00 0.00 C ATOM 1113 CE LYS A 498 6.289 -6.815 -3.335 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.165 -7.837 -2.258 1.00 0.00 N ATOM 0 H LYS A 498 4.273 -4.758 -4.463 1.00 0.00 H new ATOM 0 HA LYS A 498 5.879 -3.121 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.128 -5.211 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.766 -5.013 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.827 -6.599 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.383 -7.329 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.339 -6.329 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.824 -7.990 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.262 -6.911 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.247 -5.818 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.025 -7.831 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.340 -7.617 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 6.043 -8.778 -2.684 1.00 0.00 H new ATOM 1128 N ARG A 499 3.645 -4.757 -7.718 1.00 0.00 N ATOM 1129 CA ARG A 499 3.060 -4.931 -9.043 1.00 0.00 C ATOM 1130 C ARG A 499 2.818 -3.574 -9.694 1.00 0.00 C ATOM 1131 O ARG A 499 2.640 -3.473 -10.908 1.00 0.00 O ATOM 1132 CB ARG A 499 1.740 -5.703 -8.961 1.00 0.00 C ATOM 1133 CG ARG A 499 1.773 -6.884 -8.007 1.00 0.00 C ATOM 1134 CD ARG A 499 2.394 -8.112 -8.652 1.00 0.00 C ATOM 1135 NE ARG A 499 3.760 -8.347 -8.188 1.00 0.00 N ATOM 1136 CZ ARG A 499 4.853 -8.070 -8.899 1.00 0.00 C ATOM 1137 NH1 ARG A 499 4.755 -7.534 -10.110 1.00 0.00 N ATOM 1138 NH2 ARG A 499 6.052 -8.329 -8.395 1.00 0.00 N ATOM 0 H ARG A 499 3.056 -5.075 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 499 3.762 -5.504 -9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 499 0.950 -5.020 -8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.478 -6.061 -9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 499 2.340 -6.616 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.759 -7.117 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 499 1.781 -8.986 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 499 2.396 -7.990 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 499 3.885 -8.749 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.837 -7.330 -10.505 1.00 0.00 H new ATOM 0 HH12 ARG A 499 5.598 -7.326 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 499 6.137 -8.739 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 499 6.890 -8.118 -8.937 1.00 0.00 H new ATOM 1152 N LEU A 500 2.797 -2.534 -8.866 1.00 0.00 N ATOM 1153 CA LEU A 500 2.560 -1.176 -9.329 1.00 0.00 C ATOM 1154 C LEU A 500 3.603 -0.726 -10.341 1.00 0.00 C ATOM 1155 O LEU A 500 3.271 -0.169 -11.388 1.00 0.00 O ATOM 1156 CB LEU A 500 2.562 -0.227 -8.132 1.00 0.00 C ATOM 1157 CG LEU A 500 1.367 -0.366 -7.181 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.379 0.751 -6.147 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.054 -0.369 -7.954 1.00 0.00 C ATOM 0 H LEU A 500 2.943 -2.611 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 500 1.591 -1.157 -9.827 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.478 -0.388 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.593 0.798 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 500 1.454 -1.320 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.525 0.638 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.301 0.701 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.320 1.715 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.778 -0.469 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.045 0.565 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.045 -1.206 -8.652 1.00 0.00 H new ATOM 1171 N ASN A 501 4.861 -0.957 -10.015 1.00 0.00 N ATOM 1172 CA ASN A 501 5.961 -0.566 -10.881 1.00 0.00 C ATOM 1173 C ASN A 501 5.901 0.937 -11.170 1.00 0.00 C ATOM 1174 O ASN A 501 5.876 1.360 -12.325 1.00 0.00 O ATOM 1175 CB ASN A 501 5.911 -1.373 -12.179 1.00 0.00 C ATOM 1176 CG ASN A 501 6.977 -0.965 -13.171 1.00 0.00 C ATOM 1177 OD1 ASN A 501 6.747 -0.133 -14.048 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.152 -1.563 -13.039 1.00 0.00 N ATOM 0 H ASN A 501 5.149 -1.416 -9.151 1.00 0.00 H new ATOM 0 HA ASN A 501 6.905 -0.776 -10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.025 -2.432 -11.946 1.00 0.00 H new ATOM 0 HB3 ASN A 501 4.930 -1.252 -12.638 1.00 0.00 H new ATOM 0 HD21 ASN A 501 8.913 -1.340 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.296 -2.247 -12.296 1.00 0.00 H new ATOM 1185 N PRO A 502 5.871 1.764 -10.108 1.00 0.00 N ATOM 1186 CA PRO A 502 5.809 3.210 -10.201 1.00 0.00 C ATOM 1187 C PRO A 502 7.168 3.846 -9.965 1.00 0.00 C ATOM 1188 O PRO A 502 8.203 3.186 -10.065 1.00 0.00 O ATOM 1189 CB PRO A 502 4.865 3.548 -9.045 1.00 0.00 C ATOM 1190 CG PRO A 502 5.009 2.421 -8.058 1.00 0.00 C ATOM 1191 CD PRO A 502 5.890 1.375 -8.699 1.00 0.00 C ATOM 0 HA PRO A 502 5.487 3.568 -11.179 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.129 4.503 -8.590 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.836 3.635 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.451 2.778 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.034 2.002 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.900 1.388 -8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.498 0.369 -8.551 1.00 0.00 H new ATOM 1199 N GLU A 503 7.157 5.126 -9.628 1.00 0.00 N ATOM 1200 CA GLU A 503 8.373 5.851 -9.348 1.00 0.00 C ATOM 1201 C GLU A 503 8.348 6.358 -7.913 1.00 0.00 C ATOM 1202 O GLU A 503 7.300 6.768 -7.414 1.00 0.00 O ATOM 1203 CB GLU A 503 8.537 7.007 -10.327 1.00 0.00 C ATOM 1204 CG GLU A 503 9.568 6.736 -11.409 1.00 0.00 C ATOM 1205 CD GLU A 503 10.818 7.579 -11.248 1.00 0.00 C ATOM 1206 OE1 GLU A 503 10.805 8.749 -11.682 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.811 7.067 -10.688 1.00 0.00 O ATOM 0 H GLU A 503 6.307 5.683 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 503 9.225 5.182 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.575 7.217 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.825 7.902 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.841 5.681 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.125 6.933 -12.385 1.00 0.00 H new ATOM 1214 N ARG A 504 9.490 6.313 -7.244 1.00 0.00 N ATOM 1215 CA ARG A 504 9.562 6.753 -5.860 1.00 0.00 C ATOM 1216 C ARG A 504 9.642 8.269 -5.760 1.00 0.00 C ATOM 1217 O ARG A 504 10.412 8.919 -6.468 1.00 0.00 O ATOM 1218 CB ARG A 504 10.753 6.118 -5.152 1.00 0.00 C ATOM 1219 CG ARG A 504 12.099 6.546 -5.715 1.00 0.00 C ATOM 1220 CD ARG A 504 12.665 7.736 -4.957 1.00 0.00 C ATOM 1221 NE ARG A 504 14.116 7.650 -4.809 1.00 0.00 N ATOM 1222 CZ ARG A 504 14.976 7.807 -5.812 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.534 8.059 -7.039 1.00 0.00 N ATOM 1224 NH2 ARG A 504 16.279 7.712 -5.590 1.00 0.00 N ATOM 0 H ARG A 504 10.372 5.979 -7.633 1.00 0.00 H new ATOM 0 HA ARG A 504 8.645 6.429 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.714 6.375 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.669 5.033 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.799 5.712 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.989 6.803 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.408 8.656 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 504 12.203 7.792 -3.972 1.00 0.00 H new ATOM 0 HE ARG A 504 14.492 7.458 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 504 13.532 8.133 -7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 504 15.197 8.179 -7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.623 7.518 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 504 16.938 7.832 -6.360 1.00 0.00 H new ATOM 1238 N LYS A 505 8.830 8.817 -4.867 1.00 0.00 N ATOM 1239 CA LYS A 505 8.774 10.256 -4.637 1.00 0.00 C ATOM 1240 C LYS A 505 8.243 10.540 -3.237 1.00 0.00 C ATOM 1241 O LYS A 505 7.604 9.683 -2.628 1.00 0.00 O ATOM 1242 CB LYS A 505 7.880 10.940 -5.677 1.00 0.00 C ATOM 1243 CG LYS A 505 7.981 10.341 -7.071 1.00 0.00 C ATOM 1244 CD LYS A 505 7.007 11.000 -8.033 1.00 0.00 C ATOM 1245 CE LYS A 505 5.575 10.568 -7.761 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.588 11.514 -8.351 1.00 0.00 N ATOM 0 H LYS A 505 8.192 8.278 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 505 9.784 10.656 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.844 10.884 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.142 11.997 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.998 10.457 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.779 9.271 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.084 12.084 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.277 10.744 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.412 9.571 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.414 10.500 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.624 11.184 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.726 12.460 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.724 11.560 -9.381 1.00 0.00 H new ATOM 1260 N MET A 506 8.504 11.736 -2.728 1.00 0.00 N ATOM 1261 CA MET A 506 8.038 12.101 -1.395 1.00 0.00 C ATOM 1262 C MET A 506 6.853 13.057 -1.464 1.00 0.00 C ATOM 1263 O MET A 506 7.003 14.224 -1.828 1.00 0.00 O ATOM 1264 CB MET A 506 9.168 12.732 -0.581 1.00 0.00 C ATOM 1265 CG MET A 506 9.891 13.857 -1.302 1.00 0.00 C ATOM 1266 SD MET A 506 10.392 15.187 -0.188 1.00 0.00 S ATOM 1267 CE MET A 506 10.837 14.258 1.280 1.00 0.00 C ATOM 0 H MET A 506 9.030 12.464 -3.211 1.00 0.00 H new ATOM 0 HA MET A 506 7.712 11.186 -0.900 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.759 13.116 0.353 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.890 11.958 -0.319 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.772 13.456 -1.802 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.242 14.263 -2.078 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.316 14.922 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.939 13.828 1.725 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.527 13.458 1.009 1.00 0.00 H new ATOM 1277 N ILE A 507 5.676 12.560 -1.094 1.00 0.00 N ATOM 1278 CA ILE A 507 4.470 13.375 -1.095 1.00 0.00 C ATOM 1279 C ILE A 507 4.289 14.043 0.267 1.00 0.00 C ATOM 1280 O ILE A 507 4.006 13.378 1.263 1.00 0.00 O ATOM 1281 CB ILE A 507 3.207 12.533 -1.429 1.00 0.00 C ATOM 1282 CG1 ILE A 507 3.172 12.109 -2.910 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.945 13.314 -1.089 1.00 0.00 C ATOM 1284 CD1 ILE A 507 4.149 12.850 -3.797 1.00 0.00 C ATOM 0 H ILE A 507 5.534 11.597 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 507 4.587 14.134 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 507 3.252 11.629 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.380 11.041 -2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 507 2.164 12.261 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 507 1.069 12.712 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.941 13.554 -0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.921 14.236 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 507 4.057 12.489 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.930 13.917 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 507 5.165 12.678 -3.442 1.00 0.00 H new ATOM 1296 N ASN A 508 4.456 15.361 0.300 1.00 0.00 N ATOM 1297 CA ASN A 508 4.314 16.119 1.538 1.00 0.00 C ATOM 1298 C ASN A 508 5.298 15.621 2.595 1.00 0.00 C ATOM 1299 O ASN A 508 4.934 15.433 3.757 1.00 0.00 O ATOM 1300 CB ASN A 508 2.881 16.011 2.065 1.00 0.00 C ATOM 1301 CG ASN A 508 2.643 16.894 3.274 1.00 0.00 C ATOM 1302 OD1 ASN A 508 3.162 18.007 3.356 1.00 0.00 O ATOM 1303 ND2 ASN A 508 1.854 16.400 4.220 1.00 0.00 N ATOM 0 H ASN A 508 4.690 15.926 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 508 4.536 17.164 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.184 16.287 1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.670 14.974 2.328 1.00 0.00 H new ATOM 0 HD21 ASN A 508 1.657 16.948 5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 508 1.445 15.472 4.110 1.00 0.00 H new ATOM 1310 N ASP A 509 6.546 15.408 2.184 1.00 0.00 N ATOM 1311 CA ASP A 509 7.585 14.930 3.093 1.00 0.00 C ATOM 1312 C ASP A 509 7.361 13.467 3.467 1.00 0.00 C ATOM 1313 O ASP A 509 7.981 12.954 4.399 1.00 0.00 O ATOM 1314 CB ASP A 509 7.629 15.792 4.357 1.00 0.00 C ATOM 1315 CG ASP A 509 9.043 16.010 4.860 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.870 16.545 4.091 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.323 15.646 6.021 1.00 0.00 O ATOM 0 H ASP A 509 6.863 15.559 1.226 1.00 0.00 H new ATOM 0 HA ASP A 509 8.541 15.008 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 509 7.167 16.757 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 509 7.038 15.316 5.139 1.00 0.00 H new ATOM 1322 N LYS A 510 6.474 12.796 2.735 1.00 0.00 N ATOM 1323 CA LYS A 510 6.175 11.392 2.993 1.00 0.00 C ATOM 1324 C LYS A 510 6.583 10.530 1.807 1.00 0.00 C ATOM 1325 O LYS A 510 6.192 10.801 0.672 1.00 0.00 O ATOM 1326 CB LYS A 510 4.684 11.206 3.271 1.00 0.00 C ATOM 1327 CG LYS A 510 4.357 9.875 3.928 1.00 0.00 C ATOM 1328 CD LYS A 510 4.322 9.993 5.444 1.00 0.00 C ATOM 1329 CE LYS A 510 5.647 10.498 5.994 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.636 10.576 7.481 1.00 0.00 N ATOM 0 H LYS A 510 5.951 13.203 1.960 1.00 0.00 H new ATOM 0 HA LYS A 510 6.744 11.081 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.337 12.015 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.134 11.285 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.392 9.518 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.100 9.133 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.522 10.672 5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.092 9.021 5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.450 9.836 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.860 11.484 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.556 10.924 7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.886 11.227 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.458 9.631 7.877 1.00 0.00 H new ATOM 1344 N MET A 511 7.366 9.488 2.065 1.00 0.00 N ATOM 1345 CA MET A 511 7.806 8.603 0.997 1.00 0.00 C ATOM 1346 C MET A 511 6.608 7.923 0.341 1.00 0.00 C ATOM 1347 O MET A 511 5.977 7.047 0.931 1.00 0.00 O ATOM 1348 CB MET A 511 8.774 7.551 1.540 1.00 0.00 C ATOM 1349 CG MET A 511 10.228 7.990 1.514 1.00 0.00 C ATOM 1350 SD MET A 511 11.115 7.373 0.071 1.00 0.00 S ATOM 1351 CE MET A 511 9.925 7.705 -1.225 1.00 0.00 C ATOM 0 H MET A 511 7.705 9.239 2.994 1.00 0.00 H new ATOM 0 HA MET A 511 8.323 9.201 0.247 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.495 7.308 2.565 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.669 6.637 0.956 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.275 9.079 1.526 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.725 7.640 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 511 10.375 7.494 -2.195 1.00 0.00 H new ATOM 0 HE2 MET A 511 9.049 7.071 -1.086 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.625 8.752 -1.184 1.00 0.00 H new ATOM 1361 N HIS A 512 6.308 8.336 -0.884 1.00 0.00 N ATOM 1362 CA HIS A 512 5.197 7.784 -1.637 1.00 0.00 C ATOM 1363 C HIS A 512 5.673 7.204 -2.965 1.00 0.00 C ATOM 1364 O HIS A 512 6.346 7.882 -3.741 1.00 0.00 O ATOM 1365 CB HIS A 512 4.151 8.868 -1.915 1.00 0.00 C ATOM 1366 CG HIS A 512 3.242 9.164 -0.762 1.00 0.00 C ATOM 1367 ND1 HIS A 512 1.873 9.268 -0.895 1.00 0.00 N ATOM 1368 CD2 HIS A 512 3.509 9.398 0.542 1.00 0.00 C ATOM 1369 CE1 HIS A 512 1.339 9.556 0.277 1.00 0.00 C ATOM 1370 NE2 HIS A 512 2.310 9.642 1.167 1.00 0.00 N ATOM 0 H HIS A 512 6.828 9.061 -1.379 1.00 0.00 H new ATOM 0 HA HIS A 512 4.753 6.989 -1.038 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.665 9.786 -2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.546 8.561 -2.769 1.00 0.00 H new ATOM 0 HD2 HIS A 512 4.484 9.394 1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 512 0.287 9.697 0.474 1.00 0.00 H new ATOM 0 HE2 HIS A 512 2.190 9.855 2.157 1.00 0.00 H new ATOM 1379 N PHE A 513 5.303 5.962 -3.235 1.00 0.00 N ATOM 1380 CA PHE A 513 5.675 5.313 -4.485 1.00 0.00 C ATOM 1381 C PHE A 513 4.462 5.257 -5.408 1.00 0.00 C ATOM 1382 O PHE A 513 3.417 4.729 -5.035 1.00 0.00 O ATOM 1383 CB PHE A 513 6.213 3.901 -4.214 1.00 0.00 C ATOM 1384 CG PHE A 513 5.945 3.404 -2.819 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.679 2.979 -2.457 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.954 3.376 -1.871 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.422 2.532 -1.175 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.704 2.931 -0.586 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.435 2.508 -0.238 1.00 0.00 C ATOM 0 H PHE A 513 4.746 5.383 -2.607 1.00 0.00 H new ATOM 0 HA PHE A 513 6.464 5.889 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.766 3.209 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.288 3.892 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.882 2.997 -3.185 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.947 3.705 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.429 2.202 -0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.499 2.914 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.237 2.160 0.765 1.00 0.00 H new ATOM 1399 N SER A 514 4.592 5.824 -6.605 1.00 0.00 N ATOM 1400 CA SER A 514 3.482 5.847 -7.549 1.00 0.00 C ATOM 1401 C SER A 514 3.863 6.564 -8.840 1.00 0.00 C ATOM 1402 O SER A 514 4.896 7.230 -8.916 1.00 0.00 O ATOM 1403 CB SER A 514 2.268 6.531 -6.918 1.00 0.00 C ATOM 1404 OG SER A 514 1.085 5.788 -7.154 1.00 0.00 O ATOM 0 H SER A 514 5.446 6.269 -6.940 1.00 0.00 H new ATOM 0 HA SER A 514 3.233 4.815 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.425 6.640 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.158 7.535 -7.328 1.00 0.00 H new ATOM 0 HG SER A 514 0.656 5.576 -6.299 1.00 0.00 H new ATOM 1410 N LEU A 515 3.000 6.446 -9.840 1.00 0.00 N ATOM 1411 CA LEU A 515 3.203 7.098 -11.118 1.00 0.00 C ATOM 1412 C LEU A 515 2.048 8.034 -11.397 1.00 0.00 C ATOM 1413 O LEU A 515 1.029 7.999 -10.707 1.00 0.00 O ATOM 1414 CB LEU A 515 3.372 6.086 -12.264 1.00 0.00 C ATOM 1415 CG LEU A 515 2.120 5.309 -12.671 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.534 4.572 -11.488 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.093 6.250 -13.266 1.00 0.00 C ATOM 0 H LEU A 515 2.143 5.896 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 515 4.130 7.669 -11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.744 6.619 -13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 515 4.141 5.369 -11.977 1.00 0.00 H new ATOM 0 HG LEU A 515 2.403 4.573 -13.423 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.644 4.027 -11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 515 2.270 3.870 -11.096 1.00 0.00 H new ATOM 0 HD13 LEU A 515 1.265 5.287 -10.711 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.205 5.686 -13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 515 0.821 7.005 -12.528 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.513 6.737 -14.146 1.00 0.00 H new ATOM 1429 N LYS A 516 2.200 8.864 -12.410 1.00 0.00 N ATOM 1430 CA LYS A 516 1.150 9.797 -12.768 1.00 0.00 C ATOM 1431 C LYS A 516 0.906 9.801 -14.269 1.00 0.00 C ATOM 1432 O LYS A 516 1.701 10.334 -15.041 1.00 0.00 O ATOM 1433 CB LYS A 516 1.466 11.203 -12.265 1.00 0.00 C ATOM 1434 CG LYS A 516 2.795 11.299 -11.552 1.00 0.00 C ATOM 1435 CD LYS A 516 3.944 11.113 -12.523 1.00 0.00 C ATOM 1436 CE LYS A 516 5.105 10.366 -11.884 1.00 0.00 C ATOM 1437 NZ LYS A 516 6.292 11.244 -11.694 1.00 0.00 N ATOM 0 H LYS A 516 3.034 8.912 -12.996 1.00 0.00 H new ATOM 0 HA LYS A 516 0.234 9.464 -12.280 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.464 11.892 -13.109 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.675 11.526 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.881 12.269 -11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.848 10.542 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.596 10.564 -13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.286 12.087 -12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 516 4.792 9.965 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 516 5.378 9.516 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 7.061 10.698 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 6.607 11.607 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.039 12.041 -11.076 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.207 9.199 -14.670 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.578 9.123 -16.070 1.00 0.00 C ATOM 1453 C GLU A 517 -0.775 10.515 -16.661 1.00 0.00 C ATOM 1454 O GLU A 517 0.146 10.998 -17.353 1.00 0.00 O ATOM 1455 CB GLU A 517 -1.858 8.303 -16.220 1.00 0.00 C ATOM 1456 CG GLU A 517 -2.919 8.625 -15.179 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.322 8.313 -15.661 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.466 7.452 -16.555 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.278 8.931 -15.147 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.848 11.110 -16.427 1.00 0.00 O ATOM 0 H GLU A 517 -0.871 8.754 -14.036 1.00 0.00 H new ATOM 0 HA GLU A 517 0.231 8.636 -16.615 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.273 8.474 -17.213 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -1.609 7.244 -16.156 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -2.716 8.057 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -2.856 9.681 -14.916 1.00 0.00 H new TER 1467 GLU A 517