USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 478 GLN :FLIP amide:sc= -2.37 F(o=-5.6,f=-3.4) USER MOD Set 1.2: B 949 MET CE :methyl -120:sc= -0.991 (180deg=-2.26) USER MOD Single : A 453 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 455 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 THR OG1 : rot -88:sc= -0.838 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl 146:sc= -2.1! (180deg=-4.04!) USER MOD Single : A 469 THR OG1 : rot 180:sc= 0 USER MOD Single : A 470 THR OG1 : rot 110:sc= -0.802 USER MOD Single : A 471 LYS NZ :NH3+ -155:sc= 0.857 (180deg=0.5) USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 476 LYS NZ :NH3+ -169:sc= 0.732 (180deg=0.23) USER MOD Single : A 479 THR OG1 : rot 140:sc= 0 USER MOD Single : A 480 LYS NZ :NH3+ 165:sc= -0.0419 (180deg=-0.284) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.16) USER MOD Single : A 489 THR OG1 : rot 69:sc= 0.725 USER MOD Single : A 491 ASN : amide:sc= -0.077 K(o=-0.077,f=-1.3) USER MOD Single : A 495 GLN : amide:sc= -0.778 K(o=-0.78,f=-3.9!) USER MOD Single : A 498 LYS NZ :NH3+ 151:sc= -1.13 (180deg=-3.04!) USER MOD Single : A 501 ASN : amide:sc= -5.59! C(o=-5.6!,f=-7!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 163:sc= -0.0125 (180deg=-0.28) USER MOD Single : A 508 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.8!) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -166:sc= -0.0447 (180deg=-0.367) USER MOD Single : A 512 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-8.6!) USER MOD Single : A 514 SER OG : rot -131:sc= -1.12 USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 942 SER OG : rot 180:sc= 0 USER MOD Single : B 943 SER OG : rot 170:sc= -0.434 USER MOD Single : B 944 SER OG : rot 180:sc= 0 USER MOD Single : B 951 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 958 ASN : amide:sc= -0.045 X(o=-0.045,f=-0.045) USER MOD Single : B 961 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 451 -15.159 13.870 0.747 1.00 0.00 N ATOM 2 CA ASP A 451 -15.574 12.710 1.578 1.00 0.00 C ATOM 3 C ASP A 451 -15.206 11.391 0.908 1.00 0.00 C ATOM 4 O ASP A 451 -16.046 10.745 0.283 1.00 0.00 O ATOM 5 CB ASP A 451 -17.086 12.787 1.800 1.00 0.00 C ATOM 6 CG ASP A 451 -17.491 13.992 2.625 1.00 0.00 C ATOM 7 OD1 ASP A 451 -16.610 14.585 3.284 1.00 0.00 O ATOM 8 OD2 ASP A 451 -18.689 14.345 2.613 1.00 0.00 O ATOM 0 HA ASP A 451 -15.051 12.748 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.590 12.826 0.834 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -17.423 11.879 2.299 1.00 0.00 H new ATOM 13 N VAL A 452 -13.944 10.996 1.044 1.00 0.00 N ATOM 14 CA VAL A 452 -13.464 9.753 0.452 1.00 0.00 C ATOM 15 C VAL A 452 -13.008 8.773 1.527 1.00 0.00 C ATOM 16 O VAL A 452 -12.313 9.150 2.471 1.00 0.00 O ATOM 17 CB VAL A 452 -12.299 10.009 -0.522 1.00 0.00 C ATOM 18 CG1 VAL A 452 -11.933 8.733 -1.265 1.00 0.00 C ATOM 19 CG2 VAL A 452 -12.653 11.120 -1.498 1.00 0.00 C ATOM 0 H VAL A 452 -13.236 11.519 1.559 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.300 9.321 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 452 -11.431 10.327 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -11.108 8.934 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -11.633 7.968 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.796 8.381 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -11.818 11.287 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -13.536 10.834 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.860 12.037 -0.946 1.00 0.00 H new ATOM 29 N GLN A 453 -13.402 7.512 1.379 1.00 0.00 N ATOM 30 CA GLN A 453 -13.034 6.477 2.337 1.00 0.00 C ATOM 31 C GLN A 453 -12.174 5.405 1.677 1.00 0.00 C ATOM 32 O GLN A 453 -12.191 5.246 0.457 1.00 0.00 O ATOM 33 CB GLN A 453 -14.288 5.841 2.939 1.00 0.00 C ATOM 34 CG GLN A 453 -15.169 6.825 3.691 1.00 0.00 C ATOM 35 CD GLN A 453 -16.346 6.154 4.372 1.00 0.00 C ATOM 36 OE1 GLN A 453 -16.199 5.548 5.433 1.00 0.00 O ATOM 37 NE2 GLN A 453 -17.521 6.258 3.763 1.00 0.00 N ATOM 0 H GLN A 453 -13.977 7.183 0.603 1.00 0.00 H new ATOM 0 HA GLN A 453 -12.453 6.944 3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -14.871 5.381 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -13.990 5.042 3.617 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -14.570 7.345 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -15.538 7.580 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -17.596 6.770 2.884 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -18.348 5.826 4.174 1.00 0.00 H new ATOM 46 N VAL A 454 -11.421 4.673 2.492 1.00 0.00 N ATOM 47 CA VAL A 454 -10.554 3.615 1.987 1.00 0.00 C ATOM 48 C VAL A 454 -11.106 2.238 2.337 1.00 0.00 C ATOM 49 O VAL A 454 -11.501 1.988 3.476 1.00 0.00 O ATOM 50 CB VAL A 454 -9.126 3.742 2.552 1.00 0.00 C ATOM 51 CG1 VAL A 454 -8.192 2.750 1.874 1.00 0.00 C ATOM 52 CG2 VAL A 454 -8.612 5.165 2.390 1.00 0.00 C ATOM 0 H VAL A 454 -11.394 4.793 3.505 1.00 0.00 H new ATOM 0 HA VAL A 454 -10.519 3.725 0.903 1.00 0.00 H new ATOM 0 HB VAL A 454 -9.155 3.509 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.188 2.855 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -8.551 1.735 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -8.167 2.948 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -7.602 5.235 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.598 5.429 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.267 5.852 2.927 1.00 0.00 H new ATOM 62 N THR A 455 -11.131 1.347 1.352 1.00 0.00 N ATOM 63 CA THR A 455 -11.634 -0.007 1.556 1.00 0.00 C ATOM 64 C THR A 455 -10.585 -1.043 1.167 1.00 0.00 C ATOM 65 O THR A 455 -9.929 -0.919 0.133 1.00 0.00 O ATOM 66 CB THR A 455 -12.909 -0.226 0.740 1.00 0.00 C ATOM 67 OG1 THR A 455 -13.880 0.758 1.050 1.00 0.00 O ATOM 68 CG2 THR A 455 -13.542 -1.582 0.971 1.00 0.00 C ATOM 0 H THR A 455 -10.809 1.538 0.403 1.00 0.00 H new ATOM 0 HA THR A 455 -11.861 -0.127 2.615 1.00 0.00 H new ATOM 0 HB THR A 455 -12.598 -0.159 -0.303 1.00 0.00 H new ATOM 0 HG1 THR A 455 -14.687 0.601 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 455 -14.442 -1.672 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 455 -12.836 -2.365 0.693 1.00 0.00 H new ATOM 0 HG23 THR A 455 -13.804 -1.686 2.024 1.00 0.00 H new ATOM 76 N GLU A 456 -10.429 -2.063 2.005 1.00 0.00 N ATOM 77 CA GLU A 456 -9.459 -3.120 1.751 1.00 0.00 C ATOM 78 C GLU A 456 -9.789 -3.864 0.461 1.00 0.00 C ATOM 79 O GLU A 456 -8.896 -4.240 -0.297 1.00 0.00 O ATOM 80 CB GLU A 456 -9.424 -4.102 2.923 1.00 0.00 C ATOM 81 CG GLU A 456 -8.335 -5.156 2.801 1.00 0.00 C ATOM 82 CD GLU A 456 -8.378 -6.176 3.924 1.00 0.00 C ATOM 83 OE1 GLU A 456 -9.288 -6.085 4.775 1.00 0.00 O ATOM 84 OE2 GLU A 456 -7.501 -7.065 3.951 1.00 0.00 O ATOM 0 H GLU A 456 -10.963 -2.179 2.866 1.00 0.00 H new ATOM 0 HA GLU A 456 -8.478 -2.658 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -9.277 -3.545 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -10.391 -4.598 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -8.438 -5.670 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -7.361 -4.667 2.797 1.00 0.00 H new ATOM 91 N ASP A 457 -11.080 -4.074 0.219 1.00 0.00 N ATOM 92 CA ASP A 457 -11.527 -4.774 -0.979 1.00 0.00 C ATOM 93 C ASP A 457 -11.079 -4.043 -2.240 1.00 0.00 C ATOM 94 O ASP A 457 -10.650 -4.666 -3.211 1.00 0.00 O ATOM 95 CB ASP A 457 -13.052 -4.914 -0.973 1.00 0.00 C ATOM 96 CG ASP A 457 -13.545 -5.826 0.134 1.00 0.00 C ATOM 97 OD1 ASP A 457 -12.720 -6.573 0.701 1.00 0.00 O ATOM 98 OD2 ASP A 457 -14.757 -5.792 0.434 1.00 0.00 O ATOM 0 H ASP A 457 -11.833 -3.770 0.836 1.00 0.00 H new ATOM 0 HA ASP A 457 -11.075 -5.766 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -13.504 -3.929 -0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -13.382 -5.305 -1.936 1.00 0.00 H new ATOM 103 N ALA A 458 -11.180 -2.718 -2.218 1.00 0.00 N ATOM 104 CA ALA A 458 -10.785 -1.903 -3.359 1.00 0.00 C ATOM 105 C ALA A 458 -9.286 -2.008 -3.618 1.00 0.00 C ATOM 106 O ALA A 458 -8.846 -2.076 -4.766 1.00 0.00 O ATOM 107 CB ALA A 458 -11.182 -0.452 -3.134 1.00 0.00 C ATOM 0 H ALA A 458 -11.532 -2.187 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 458 -11.306 -2.279 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -10.881 0.145 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -12.263 -0.386 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -10.688 -0.074 -2.239 1.00 0.00 H new ATOM 113 N VAL A 459 -8.505 -2.018 -2.543 1.00 0.00 N ATOM 114 CA VAL A 459 -7.053 -2.114 -2.653 1.00 0.00 C ATOM 115 C VAL A 459 -6.635 -3.448 -3.264 1.00 0.00 C ATOM 116 O VAL A 459 -5.734 -3.504 -4.100 1.00 0.00 O ATOM 117 CB VAL A 459 -6.374 -1.956 -1.278 1.00 0.00 C ATOM 118 CG1 VAL A 459 -4.861 -1.929 -1.428 1.00 0.00 C ATOM 119 CG2 VAL A 459 -6.870 -0.698 -0.579 1.00 0.00 C ATOM 0 H VAL A 459 -8.853 -1.961 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 459 -6.730 -1.302 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 459 -6.639 -2.815 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -4.400 -1.817 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -4.524 -2.860 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -4.573 -1.090 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -6.380 -0.603 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -6.637 0.174 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -7.949 -0.763 -0.435 1.00 0.00 H new ATOM 129 N ARG A 460 -7.297 -4.520 -2.840 1.00 0.00 N ATOM 130 CA ARG A 460 -6.992 -5.855 -3.344 1.00 0.00 C ATOM 131 C ARG A 460 -7.175 -5.924 -4.858 1.00 0.00 C ATOM 132 O ARG A 460 -6.403 -6.581 -5.556 1.00 0.00 O ATOM 133 CB ARG A 460 -7.884 -6.896 -2.665 1.00 0.00 C ATOM 134 CG ARG A 460 -7.474 -8.330 -2.954 1.00 0.00 C ATOM 135 CD ARG A 460 -8.389 -9.326 -2.260 1.00 0.00 C ATOM 136 NE ARG A 460 -9.594 -9.601 -3.040 1.00 0.00 N ATOM 137 CZ ARG A 460 -10.714 -8.885 -2.959 1.00 0.00 C ATOM 138 NH1 ARG A 460 -10.793 -7.846 -2.137 1.00 0.00 N ATOM 139 NH2 ARG A 460 -11.761 -9.209 -3.706 1.00 0.00 N ATOM 0 H ARG A 460 -8.047 -4.491 -2.150 1.00 0.00 H new ATOM 0 HA ARG A 460 -5.949 -6.071 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -7.865 -6.732 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -8.913 -6.748 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -7.495 -8.505 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -6.447 -8.488 -2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -7.848 -10.257 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -8.672 -8.937 -1.282 1.00 0.00 H new ATOM 0 HE ARG A 460 -9.576 -10.390 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -9.992 -7.590 -1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -11.655 -7.304 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 460 -11.708 -10.005 -4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 460 -12.620 -8.662 -3.645 1.00 0.00 H new ATOM 153 N ARG A 461 -8.202 -5.243 -5.357 1.00 0.00 N ATOM 154 CA ARG A 461 -8.488 -5.230 -6.787 1.00 0.00 C ATOM 155 C ARG A 461 -7.295 -4.702 -7.580 1.00 0.00 C ATOM 156 O ARG A 461 -6.943 -5.247 -8.626 1.00 0.00 O ATOM 157 CB ARG A 461 -9.722 -4.374 -7.075 1.00 0.00 C ATOM 158 CG ARG A 461 -11.005 -4.943 -6.491 1.00 0.00 C ATOM 159 CD ARG A 461 -12.215 -4.112 -6.890 1.00 0.00 C ATOM 160 NE ARG A 461 -13.422 -4.526 -6.179 1.00 0.00 N ATOM 161 CZ ARG A 461 -14.647 -4.110 -6.494 1.00 0.00 C ATOM 162 NH1 ARG A 461 -14.830 -3.268 -7.505 1.00 0.00 N ATOM 163 NH2 ARG A 461 -15.691 -4.535 -5.796 1.00 0.00 N ATOM 0 H ARG A 461 -8.850 -4.693 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 461 -8.683 -6.256 -7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -9.562 -3.373 -6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -9.838 -4.270 -8.154 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -11.138 -5.969 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -10.928 -4.977 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -12.016 -3.060 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -12.378 -4.202 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 461 -13.321 -5.171 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -14.030 -2.937 -8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -15.771 -2.952 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -15.556 -5.180 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -16.630 -4.216 -6.037 1.00 0.00 H new ATOM 177 N TYR A 462 -6.677 -3.640 -7.076 1.00 0.00 N ATOM 178 CA TYR A 462 -5.525 -3.041 -7.739 1.00 0.00 C ATOM 179 C TYR A 462 -4.321 -3.976 -7.690 1.00 0.00 C ATOM 180 O TYR A 462 -3.626 -4.163 -8.688 1.00 0.00 O ATOM 181 CB TYR A 462 -5.172 -1.703 -7.086 1.00 0.00 C ATOM 182 CG TYR A 462 -6.258 -0.659 -7.219 1.00 0.00 C ATOM 183 CD1 TYR A 462 -6.433 0.042 -8.406 1.00 0.00 C ATOM 184 CD2 TYR A 462 -7.107 -0.374 -6.158 1.00 0.00 C ATOM 185 CE1 TYR A 462 -7.424 0.997 -8.531 1.00 0.00 C ATOM 186 CE2 TYR A 462 -8.101 0.579 -6.275 1.00 0.00 C ATOM 187 CZ TYR A 462 -8.255 1.262 -7.463 1.00 0.00 C ATOM 188 OH TYR A 462 -9.242 2.211 -7.584 1.00 0.00 O ATOM 0 H TYR A 462 -6.954 -3.176 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.788 -2.870 -8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -4.966 -1.868 -6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.255 -1.320 -7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -5.784 -0.163 -9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -6.989 -0.906 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -7.547 1.533 -9.460 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -8.754 0.788 -5.440 1.00 0.00 H new ATOM 0 HH TYR A 462 -9.739 2.275 -6.742 1.00 0.00 H new ATOM 198 N LEU A 463 -4.082 -4.563 -6.521 1.00 0.00 N ATOM 199 CA LEU A 463 -2.963 -5.481 -6.341 1.00 0.00 C ATOM 200 C LEU A 463 -3.190 -6.774 -7.116 1.00 0.00 C ATOM 201 O LEU A 463 -2.252 -7.349 -7.671 1.00 0.00 O ATOM 202 CB LEU A 463 -2.764 -5.789 -4.856 1.00 0.00 C ATOM 203 CG LEU A 463 -2.343 -4.594 -3.999 1.00 0.00 C ATOM 204 CD1 LEU A 463 -2.602 -4.876 -2.528 1.00 0.00 C ATOM 205 CD2 LEU A 463 -0.876 -4.265 -4.231 1.00 0.00 C ATOM 0 H LEU A 463 -4.648 -4.419 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 463 -2.065 -5.001 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -3.694 -6.194 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 463 -2.009 -6.570 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 463 -2.940 -3.730 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 463 -2.297 -4.015 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 463 -3.665 -5.064 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 463 -2.031 -5.751 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.592 -3.412 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 463 -0.263 -5.126 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -0.720 -4.020 -5.282 1.00 0.00 H new ATOM 217 N THR A 464 -4.438 -7.227 -7.151 1.00 0.00 N ATOM 218 CA THR A 464 -4.789 -8.449 -7.857 1.00 0.00 C ATOM 219 C THR A 464 -4.626 -8.274 -9.363 1.00 0.00 C ATOM 220 O THR A 464 -4.292 -9.221 -10.076 1.00 0.00 O ATOM 221 CB THR A 464 -6.227 -8.846 -7.530 1.00 0.00 C ATOM 222 OG1 THR A 464 -7.094 -7.732 -7.645 1.00 0.00 O ATOM 223 CG2 THR A 464 -6.390 -9.414 -6.136 1.00 0.00 C ATOM 0 H THR A 464 -5.224 -6.763 -6.696 1.00 0.00 H new ATOM 0 HA THR A 464 -4.114 -9.240 -7.529 1.00 0.00 H new ATOM 0 HB THR A 464 -6.483 -9.621 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 464 -7.119 -7.248 -6.793 1.00 0.00 H new ATOM 0 HG21 THR A 464 -7.435 -9.675 -5.969 1.00 0.00 H new ATOM 0 HG22 THR A 464 -5.772 -10.306 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 464 -6.080 -8.670 -5.402 1.00 0.00 H new ATOM 231 N ARG A 465 -4.863 -7.057 -9.841 1.00 0.00 N ATOM 232 CA ARG A 465 -4.741 -6.758 -11.263 1.00 0.00 C ATOM 233 C ARG A 465 -3.282 -6.569 -11.654 1.00 0.00 C ATOM 234 O ARG A 465 -2.787 -7.207 -12.584 1.00 0.00 O ATOM 235 CB ARG A 465 -5.543 -5.502 -11.612 1.00 0.00 C ATOM 236 CG ARG A 465 -5.945 -5.424 -13.075 1.00 0.00 C ATOM 237 CD ARG A 465 -4.744 -5.167 -13.971 1.00 0.00 C ATOM 238 NE ARG A 465 -5.139 -4.887 -15.350 1.00 0.00 N ATOM 239 CZ ARG A 465 -5.654 -3.729 -15.753 1.00 0.00 C ATOM 240 NH1 ARG A 465 -5.837 -2.738 -14.888 1.00 0.00 N ATOM 241 NH2 ARG A 465 -5.988 -3.558 -17.025 1.00 0.00 N ATOM 0 H ARG A 465 -5.140 -6.262 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.142 -7.603 -11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.441 -5.471 -10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -4.952 -4.622 -11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -6.428 -6.355 -13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -6.678 -4.628 -13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -4.173 -4.325 -13.579 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -4.085 -6.035 -13.952 1.00 0.00 H new ATOM 0 HE ARG A 465 -5.012 -5.623 -16.044 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -5.582 -2.863 -13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -6.232 -1.852 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -5.850 -4.315 -17.695 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -6.383 -2.670 -17.334 1.00 0.00 H new ATOM 255 N LYS A 466 -2.598 -5.689 -10.936 1.00 0.00 N ATOM 256 CA LYS A 466 -1.191 -5.410 -11.200 1.00 0.00 C ATOM 257 C LYS A 466 -0.445 -5.100 -9.904 1.00 0.00 C ATOM 258 O LYS A 466 -0.957 -4.385 -9.041 1.00 0.00 O ATOM 259 CB LYS A 466 -1.058 -4.236 -12.172 1.00 0.00 C ATOM 260 CG LYS A 466 0.381 -3.890 -12.517 1.00 0.00 C ATOM 261 CD LYS A 466 0.878 -4.694 -13.708 1.00 0.00 C ATOM 262 CE LYS A 466 0.201 -4.257 -14.997 1.00 0.00 C ATOM 263 NZ LYS A 466 -0.088 -5.410 -15.892 1.00 0.00 N ATOM 0 H LYS A 466 -2.995 -5.154 -10.164 1.00 0.00 H new ATOM 0 HA LYS A 466 -0.747 -6.298 -11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -1.596 -4.473 -13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -1.539 -3.360 -11.738 1.00 0.00 H new ATOM 0 HG2 LYS A 466 0.457 -2.825 -12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 466 1.019 -4.083 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 466 1.957 -4.575 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 466 0.688 -5.754 -13.537 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.729 -3.739 -14.761 1.00 0.00 H new ATOM 0 HE3 LYS A 466 0.840 -3.544 -15.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -0.549 -5.069 -16.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 0.801 -5.890 -16.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -0.718 -6.078 -15.405 1.00 0.00 H new ATOM 277 N PRO A 467 0.779 -5.633 -9.745 1.00 0.00 N ATOM 278 CA PRO A 467 1.588 -5.405 -8.544 1.00 0.00 C ATOM 279 C PRO A 467 2.125 -3.980 -8.471 1.00 0.00 C ATOM 280 O PRO A 467 2.676 -3.463 -9.443 1.00 0.00 O ATOM 281 CB PRO A 467 2.738 -6.401 -8.697 1.00 0.00 C ATOM 282 CG PRO A 467 2.864 -6.610 -10.166 1.00 0.00 C ATOM 283 CD PRO A 467 1.470 -6.498 -10.721 1.00 0.00 C ATOM 0 HA PRO A 467 1.009 -5.539 -7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 467 3.662 -6.008 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.523 -7.337 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 467 3.522 -5.864 -10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 467 3.294 -7.587 -10.386 1.00 0.00 H new ATOM 0 HD2 PRO A 467 1.469 -6.058 -11.718 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.991 -7.474 -10.803 1.00 0.00 H new ATOM 291 N MET A 468 1.962 -3.349 -7.312 1.00 0.00 N ATOM 292 CA MET A 468 2.432 -1.982 -7.112 1.00 0.00 C ATOM 293 C MET A 468 3.204 -1.859 -5.803 1.00 0.00 C ATOM 294 O MET A 468 3.023 -2.660 -4.886 1.00 0.00 O ATOM 295 CB MET A 468 1.253 -1.007 -7.117 1.00 0.00 C ATOM 296 CG MET A 468 0.047 -1.501 -6.336 1.00 0.00 C ATOM 297 SD MET A 468 -1.138 -0.189 -5.983 1.00 0.00 S ATOM 298 CE MET A 468 -1.888 0.033 -7.595 1.00 0.00 C ATOM 0 H MET A 468 1.508 -3.762 -6.497 1.00 0.00 H new ATOM 0 HA MET A 468 3.103 -1.732 -7.934 1.00 0.00 H new ATOM 0 HB2 MET A 468 1.579 -0.054 -6.700 1.00 0.00 H new ATOM 0 HB3 MET A 468 0.954 -0.818 -8.148 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.449 -2.290 -6.901 1.00 0.00 H new ATOM 0 HG3 MET A 468 0.383 -1.944 -5.398 1.00 0.00 H new ATOM 0 HE1 MET A 468 -2.939 0.295 -7.474 1.00 0.00 H new ATOM 0 HE2 MET A 468 -1.374 0.832 -8.129 1.00 0.00 H new ATOM 0 HE3 MET A 468 -1.808 -0.893 -8.164 1.00 0.00 H new ATOM 308 N THR A 469 4.065 -0.849 -5.722 1.00 0.00 N ATOM 309 CA THR A 469 4.865 -0.621 -4.524 1.00 0.00 C ATOM 310 C THR A 469 4.014 -0.020 -3.410 1.00 0.00 C ATOM 311 O THR A 469 2.904 0.453 -3.650 1.00 0.00 O ATOM 312 CB THR A 469 6.040 0.306 -4.840 1.00 0.00 C ATOM 313 OG1 THR A 469 5.592 1.637 -5.030 1.00 0.00 O ATOM 314 CG2 THR A 469 6.808 -0.101 -6.079 1.00 0.00 C ATOM 0 H THR A 469 4.226 -0.176 -6.471 1.00 0.00 H new ATOM 0 HA THR A 469 5.251 -1.582 -4.185 1.00 0.00 H new ATOM 0 HB THR A 469 6.705 0.232 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 469 6.358 2.215 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 469 7.627 0.598 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 469 7.210 -1.105 -5.944 1.00 0.00 H new ATOM 0 HG23 THR A 469 6.141 -0.090 -6.941 1.00 0.00 H new ATOM 322 N THR A 470 4.542 -0.043 -2.191 1.00 0.00 N ATOM 323 CA THR A 470 3.831 0.499 -1.038 1.00 0.00 C ATOM 324 C THR A 470 3.496 1.973 -1.247 1.00 0.00 C ATOM 325 O THR A 470 2.385 2.414 -0.955 1.00 0.00 O ATOM 326 CB THR A 470 4.669 0.332 0.230 1.00 0.00 C ATOM 327 OG1 THR A 470 5.976 0.844 0.041 1.00 0.00 O ATOM 328 CG2 THR A 470 4.797 -1.108 0.678 1.00 0.00 C ATOM 0 H THR A 470 5.460 -0.431 -1.975 1.00 0.00 H new ATOM 0 HA THR A 470 2.899 -0.055 -0.926 1.00 0.00 H new ATOM 0 HB THR A 470 4.137 0.889 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 470 6.087 1.661 0.570 1.00 0.00 H new ATOM 0 HG21 THR A 470 5.404 -1.155 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.807 -1.514 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 470 5.273 -1.693 -0.109 1.00 0.00 H new ATOM 336 N LYS A 471 4.465 2.727 -1.755 1.00 0.00 N ATOM 337 CA LYS A 471 4.273 4.152 -2.005 1.00 0.00 C ATOM 338 C LYS A 471 3.095 4.387 -2.945 1.00 0.00 C ATOM 339 O LYS A 471 2.308 5.313 -2.751 1.00 0.00 O ATOM 340 CB LYS A 471 5.545 4.762 -2.598 1.00 0.00 C ATOM 341 CG LYS A 471 6.735 4.727 -1.653 1.00 0.00 C ATOM 342 CD LYS A 471 7.936 5.445 -2.245 1.00 0.00 C ATOM 343 CE LYS A 471 9.160 5.310 -1.354 1.00 0.00 C ATOM 344 NZ LYS A 471 10.247 6.242 -1.758 1.00 0.00 N ATOM 0 H LYS A 471 5.390 2.376 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 471 4.055 4.636 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 471 5.802 4.227 -3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 471 5.345 5.796 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 471 6.462 5.192 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 471 6.999 3.692 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 471 8.156 5.036 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 471 7.699 6.500 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 471 8.879 5.507 -0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 471 9.527 4.285 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 11.164 5.861 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 10.248 6.347 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 10.090 7.170 -1.316 1.00 0.00 H new ATOM 358 N ASP A 472 2.980 3.542 -3.965 1.00 0.00 N ATOM 359 CA ASP A 472 1.898 3.658 -4.934 1.00 0.00 C ATOM 360 C ASP A 472 0.545 3.449 -4.264 1.00 0.00 C ATOM 361 O ASP A 472 -0.449 4.069 -4.641 1.00 0.00 O ATOM 362 CB ASP A 472 2.084 2.641 -6.062 1.00 0.00 C ATOM 363 CG ASP A 472 1.121 2.867 -7.211 1.00 0.00 C ATOM 364 OD1 ASP A 472 0.515 3.958 -7.273 1.00 0.00 O ATOM 365 OD2 ASP A 472 0.972 1.953 -8.049 1.00 0.00 O ATOM 0 H ASP A 472 3.623 2.770 -4.141 1.00 0.00 H new ATOM 0 HA ASP A 472 1.925 4.664 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 472 3.107 2.698 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 472 1.944 1.635 -5.667 1.00 0.00 H new ATOM 370 N LEU A 473 0.515 2.571 -3.268 1.00 0.00 N ATOM 371 CA LEU A 473 -0.716 2.278 -2.542 1.00 0.00 C ATOM 372 C LEU A 473 -1.268 3.533 -1.876 1.00 0.00 C ATOM 373 O LEU A 473 -2.471 3.793 -1.919 1.00 0.00 O ATOM 374 CB LEU A 473 -0.466 1.196 -1.488 1.00 0.00 C ATOM 375 CG LEU A 473 0.069 -0.128 -2.036 1.00 0.00 C ATOM 376 CD1 LEU A 473 0.530 -1.029 -0.899 1.00 0.00 C ATOM 377 CD2 LEU A 473 -0.992 -0.824 -2.874 1.00 0.00 C ATOM 0 H LEU A 473 1.329 2.049 -2.944 1.00 0.00 H new ATOM 0 HA LEU A 473 -1.453 1.915 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 473 0.242 1.581 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.399 1.003 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 473 0.927 0.084 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 473 0.907 -1.966 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 473 1.322 -0.532 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.309 -1.235 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -0.595 -1.764 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -1.869 -1.024 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -1.274 -0.183 -3.709 1.00 0.00 H new ATOM 389 N LEU A 474 -0.383 4.310 -1.261 1.00 0.00 N ATOM 390 CA LEU A 474 -0.783 5.540 -0.586 1.00 0.00 C ATOM 391 C LEU A 474 -1.216 6.598 -1.596 1.00 0.00 C ATOM 392 O LEU A 474 -2.261 7.228 -1.439 1.00 0.00 O ATOM 393 CB LEU A 474 0.366 6.075 0.271 1.00 0.00 C ATOM 394 CG LEU A 474 0.628 5.298 1.562 1.00 0.00 C ATOM 395 CD1 LEU A 474 1.975 5.682 2.152 1.00 0.00 C ATOM 396 CD2 LEU A 474 -0.487 5.548 2.567 1.00 0.00 C ATOM 0 H LEU A 474 0.616 4.110 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 474 -1.631 5.311 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 474 1.277 6.073 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 474 0.155 7.113 0.527 1.00 0.00 H new ATOM 0 HG LEU A 474 0.648 4.234 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 474 2.144 5.119 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 474 2.764 5.454 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 474 1.984 6.749 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 474 -0.286 4.988 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -0.537 6.612 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -1.438 5.223 2.144 1.00 0.00 H new ATOM 408 N LYS A 475 -0.406 6.787 -2.632 1.00 0.00 N ATOM 409 CA LYS A 475 -0.706 7.770 -3.668 1.00 0.00 C ATOM 410 C LYS A 475 -2.080 7.513 -4.281 1.00 0.00 C ATOM 411 O LYS A 475 -2.798 8.449 -4.635 1.00 0.00 O ATOM 412 CB LYS A 475 0.366 7.735 -4.759 1.00 0.00 C ATOM 413 CG LYS A 475 0.199 8.819 -5.811 1.00 0.00 C ATOM 414 CD LYS A 475 1.245 8.697 -6.907 1.00 0.00 C ATOM 415 CE LYS A 475 1.179 9.867 -7.874 1.00 0.00 C ATOM 416 NZ LYS A 475 1.977 11.030 -7.396 1.00 0.00 N ATOM 0 H LYS A 475 0.463 6.273 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 475 -0.713 8.757 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 475 1.347 7.838 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 475 0.344 6.760 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -0.797 8.753 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 475 0.276 9.799 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 475 2.238 8.649 -6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 475 1.095 7.765 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 475 1.546 9.552 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 475 0.140 10.170 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 1.905 11.807 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 1.611 11.348 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 2.973 10.749 -7.294 1.00 0.00 H new ATOM 430 N LYS A 476 -2.439 6.240 -4.401 1.00 0.00 N ATOM 431 CA LYS A 476 -3.726 5.858 -4.969 1.00 0.00 C ATOM 432 C LYS A 476 -4.875 6.337 -4.087 1.00 0.00 C ATOM 433 O LYS A 476 -5.951 6.672 -4.581 1.00 0.00 O ATOM 434 CB LYS A 476 -3.798 4.340 -5.147 1.00 0.00 C ATOM 435 CG LYS A 476 -4.960 3.885 -6.014 1.00 0.00 C ATOM 436 CD LYS A 476 -4.736 2.481 -6.554 1.00 0.00 C ATOM 437 CE LYS A 476 -4.300 2.508 -8.011 1.00 0.00 C ATOM 438 NZ LYS A 476 -5.295 3.199 -8.879 1.00 0.00 N ATOM 0 H LYS A 476 -1.856 5.454 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 476 -3.821 6.335 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -2.866 3.990 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -3.881 3.871 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -5.881 3.909 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -5.089 4.579 -6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -3.978 1.976 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -5.655 1.902 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -3.337 3.012 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -4.157 1.487 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -5.057 3.035 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -6.245 2.825 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -5.278 4.220 -8.682 1.00 0.00 H new ATOM 452 N PHE A 477 -4.642 6.364 -2.778 1.00 0.00 N ATOM 453 CA PHE A 477 -5.660 6.800 -1.829 1.00 0.00 C ATOM 454 C PHE A 477 -5.031 7.519 -0.639 1.00 0.00 C ATOM 455 O PHE A 477 -5.005 6.994 0.474 1.00 0.00 O ATOM 456 CB PHE A 477 -6.479 5.603 -1.343 1.00 0.00 C ATOM 457 CG PHE A 477 -7.397 5.038 -2.389 1.00 0.00 C ATOM 458 CD1 PHE A 477 -8.612 5.646 -2.664 1.00 0.00 C ATOM 459 CD2 PHE A 477 -7.046 3.899 -3.095 1.00 0.00 C ATOM 460 CE1 PHE A 477 -9.459 5.129 -3.625 1.00 0.00 C ATOM 461 CE2 PHE A 477 -7.890 3.377 -4.058 1.00 0.00 C ATOM 462 CZ PHE A 477 -9.098 3.993 -4.323 1.00 0.00 C ATOM 0 H PHE A 477 -3.757 6.089 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 477 -6.319 7.500 -2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -5.799 4.820 -1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.070 5.905 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -8.900 6.534 -2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -6.103 3.413 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -10.403 5.613 -3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -7.605 2.489 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 477 -9.759 3.587 -5.075 1.00 0.00 H new ATOM 472 N GLN A 478 -4.528 8.726 -0.880 1.00 0.00 N ATOM 473 CA GLN A 478 -3.903 9.520 0.172 1.00 0.00 C ATOM 474 C GLN A 478 -3.475 10.884 -0.359 1.00 0.00 C ATOM 475 O GLN A 478 -3.922 11.921 0.131 1.00 0.00 O ATOM 476 CB GLN A 478 -2.693 8.784 0.751 1.00 0.00 C ATOM 477 CG GLN A 478 -2.229 9.338 2.088 1.00 0.00 C ATOM 478 CD GLN A 478 -1.531 10.677 1.955 1.00 0.00 C ATOM 479 OE1 GLN A 478 -2.158 11.726 2.476 1.00 0.00 O flip ATOM 480 NE2 GLN A 478 -0.441 10.769 1.390 1.00 0.00 N flip ATOM 0 H GLN A 478 -4.541 9.176 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 478 -4.639 9.670 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -2.942 7.730 0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -1.870 8.838 0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -3.088 9.445 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -1.551 8.625 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 478 0.005 9.937 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 478 0.016 11.677 1.308 1.00 0.00 H new ATOM 489 N THR A 479 -2.605 10.876 -1.366 1.00 0.00 N ATOM 490 CA THR A 479 -2.118 12.113 -1.963 1.00 0.00 C ATOM 491 C THR A 479 -3.269 12.928 -2.543 1.00 0.00 C ATOM 492 O THR A 479 -3.216 14.157 -2.579 1.00 0.00 O ATOM 493 CB THR A 479 -1.094 11.806 -3.057 1.00 0.00 C ATOM 494 OG1 THR A 479 -1.689 11.065 -4.108 1.00 0.00 O ATOM 495 CG2 THR A 479 0.098 11.018 -2.558 1.00 0.00 C ATOM 0 H THR A 479 -2.224 10.027 -1.784 1.00 0.00 H new ATOM 0 HA THR A 479 -1.639 12.701 -1.180 1.00 0.00 H new ATOM 0 HB THR A 479 -0.746 12.778 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 479 -1.351 11.389 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 479 0.785 10.835 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 479 0.609 11.585 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 479 -0.240 10.066 -2.149 1.00 0.00 H new ATOM 503 N LYS A 480 -4.310 12.235 -2.993 1.00 0.00 N ATOM 504 CA LYS A 480 -5.475 12.894 -3.568 1.00 0.00 C ATOM 505 C LYS A 480 -6.361 13.483 -2.475 1.00 0.00 C ATOM 506 O LYS A 480 -6.239 13.124 -1.304 1.00 0.00 O ATOM 507 CB LYS A 480 -6.280 11.907 -4.416 1.00 0.00 C ATOM 508 CG LYS A 480 -5.469 11.257 -5.525 1.00 0.00 C ATOM 509 CD LYS A 480 -4.965 12.286 -6.524 1.00 0.00 C ATOM 510 CE LYS A 480 -4.282 11.625 -7.709 1.00 0.00 C ATOM 511 NZ LYS A 480 -5.230 10.805 -8.513 1.00 0.00 N ATOM 0 H LYS A 480 -4.370 11.217 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 480 -5.124 13.706 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -6.684 11.129 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -7.130 12.428 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -4.623 10.723 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -6.083 10.518 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -5.800 12.892 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -4.266 12.962 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -3.836 12.391 -8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -3.468 10.993 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -4.802 10.582 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -5.441 9.921 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -6.111 11.338 -8.661 1.00 0.00 H new ATOM 525 N LYS A 481 -7.251 14.390 -2.865 1.00 0.00 N ATOM 526 CA LYS A 481 -8.155 15.030 -1.916 1.00 0.00 C ATOM 527 C LYS A 481 -9.094 14.005 -1.284 1.00 0.00 C ATOM 528 O LYS A 481 -10.238 13.847 -1.713 1.00 0.00 O ATOM 529 CB LYS A 481 -8.964 16.127 -2.613 1.00 0.00 C ATOM 530 CG LYS A 481 -9.038 17.422 -1.822 1.00 0.00 C ATOM 531 CD LYS A 481 -7.738 18.206 -1.917 1.00 0.00 C ATOM 532 CE LYS A 481 -7.847 19.553 -1.221 1.00 0.00 C ATOM 533 NZ LYS A 481 -6.552 20.285 -1.223 1.00 0.00 N ATOM 0 H LYS A 481 -7.365 14.698 -3.831 1.00 0.00 H new ATOM 0 HA LYS A 481 -7.556 15.480 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -8.520 16.331 -3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -9.975 15.762 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -9.860 18.032 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -9.255 17.200 -0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -6.930 17.628 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -7.479 18.357 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -8.606 20.157 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -8.179 19.405 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -6.669 21.198 -0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -5.833 19.720 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -6.248 20.449 -2.204 1.00 0.00 H new ATOM 547 N THR A 482 -8.603 13.312 -0.262 1.00 0.00 N ATOM 548 CA THR A 482 -9.396 12.303 0.430 1.00 0.00 C ATOM 549 C THR A 482 -10.077 12.892 1.661 1.00 0.00 C ATOM 550 O THR A 482 -11.140 12.429 2.076 1.00 0.00 O ATOM 551 CB THR A 482 -8.514 11.121 0.838 1.00 0.00 C ATOM 552 OG1 THR A 482 -7.390 11.567 1.576 1.00 0.00 O ATOM 553 CG2 THR A 482 -8.002 10.322 -0.341 1.00 0.00 C ATOM 0 H THR A 482 -7.659 13.431 0.105 1.00 0.00 H new ATOM 0 HA THR A 482 -10.167 11.953 -0.256 1.00 0.00 H new ATOM 0 HB THR A 482 -9.153 10.477 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 482 -6.839 10.797 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 482 -7.384 9.499 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 482 -8.846 9.923 -0.904 1.00 0.00 H new ATOM 0 HG23 THR A 482 -7.407 10.968 -0.987 1.00 0.00 H new ATOM 561 N GLY A 483 -9.458 13.916 2.243 1.00 0.00 N ATOM 562 CA GLY A 483 -10.021 14.550 3.420 1.00 0.00 C ATOM 563 C GLY A 483 -9.322 14.127 4.697 1.00 0.00 C ATOM 564 O GLY A 483 -9.306 14.870 5.679 1.00 0.00 O ATOM 0 H GLY A 483 -8.577 14.317 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -9.953 15.633 3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -11.080 14.303 3.490 1.00 0.00 H new ATOM 568 N LEU A 484 -8.743 12.931 4.686 1.00 0.00 N ATOM 569 CA LEU A 484 -8.038 12.412 5.853 1.00 0.00 C ATOM 570 C LEU A 484 -6.548 12.722 5.770 1.00 0.00 C ATOM 571 O LEU A 484 -5.958 12.705 4.689 1.00 0.00 O ATOM 572 CB LEU A 484 -8.251 10.901 5.974 1.00 0.00 C ATOM 573 CG LEU A 484 -9.714 10.450 5.981 1.00 0.00 C ATOM 574 CD1 LEU A 484 -9.803 8.933 5.943 1.00 0.00 C ATOM 575 CD2 LEU A 484 -10.434 10.998 7.203 1.00 0.00 C ATOM 0 H LEU A 484 -8.748 12.303 3.882 1.00 0.00 H new ATOM 0 HA LEU A 484 -8.444 12.901 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -7.740 10.410 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.776 10.555 6.892 1.00 0.00 H new ATOM 0 HG LEU A 484 -10.202 10.845 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -10.850 8.630 5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -9.323 8.563 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.300 8.517 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -11.473 10.668 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -9.947 10.632 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -10.400 12.087 7.188 1.00 0.00 H new ATOM 587 N SER A 485 -5.943 13.006 6.919 1.00 0.00 N ATOM 588 CA SER A 485 -4.519 13.320 6.977 1.00 0.00 C ATOM 589 C SER A 485 -3.682 12.150 6.473 1.00 0.00 C ATOM 590 O SER A 485 -4.092 10.992 6.570 1.00 0.00 O ATOM 591 CB SER A 485 -4.112 13.674 8.408 1.00 0.00 C ATOM 592 OG SER A 485 -4.878 14.759 8.904 1.00 0.00 O ATOM 0 H SER A 485 -6.416 13.025 7.822 1.00 0.00 H new ATOM 0 HA SER A 485 -4.336 14.179 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 485 -4.246 12.805 9.053 1.00 0.00 H new ATOM 0 HB3 SER A 485 -3.053 13.930 8.435 1.00 0.00 H new ATOM 0 HG SER A 485 -4.599 14.964 9.821 1.00 0.00 H new ATOM 598 N SER A 486 -2.507 12.459 5.933 1.00 0.00 N ATOM 599 CA SER A 486 -1.611 11.432 5.413 1.00 0.00 C ATOM 600 C SER A 486 -1.174 10.479 6.520 1.00 0.00 C ATOM 601 O SER A 486 -0.994 9.284 6.289 1.00 0.00 O ATOM 602 CB SER A 486 -0.384 12.077 4.766 1.00 0.00 C ATOM 603 OG SER A 486 0.474 12.636 5.744 1.00 0.00 O ATOM 0 H SER A 486 -2.153 13.412 5.844 1.00 0.00 H new ATOM 0 HA SER A 486 -2.153 10.860 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 486 0.159 11.331 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 486 -0.702 12.853 4.070 1.00 0.00 H new ATOM 0 HG SER A 486 1.251 13.040 5.305 1.00 0.00 H new ATOM 609 N GLU A 487 -1.006 11.016 7.724 1.00 0.00 N ATOM 610 CA GLU A 487 -0.591 10.212 8.869 1.00 0.00 C ATOM 611 C GLU A 487 -1.662 9.189 9.231 1.00 0.00 C ATOM 612 O GLU A 487 -1.360 8.026 9.496 1.00 0.00 O ATOM 613 CB GLU A 487 -0.299 11.111 10.071 1.00 0.00 C ATOM 614 CG GLU A 487 0.257 10.361 11.271 1.00 0.00 C ATOM 615 CD GLU A 487 1.658 9.833 11.030 1.00 0.00 C ATOM 616 OE1 GLU A 487 2.370 10.405 10.177 1.00 0.00 O ATOM 617 OE2 GLU A 487 2.044 8.849 11.694 1.00 0.00 O ATOM 0 H GLU A 487 -1.151 12.004 7.933 1.00 0.00 H new ATOM 0 HA GLU A 487 0.319 9.677 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 487 0.412 11.882 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -1.217 11.620 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 487 0.266 11.023 12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -0.404 9.529 11.513 1.00 0.00 H new ATOM 624 N GLN A 488 -2.915 9.631 9.241 1.00 0.00 N ATOM 625 CA GLN A 488 -4.032 8.754 9.571 1.00 0.00 C ATOM 626 C GLN A 488 -4.194 7.660 8.521 1.00 0.00 C ATOM 627 O GLN A 488 -4.531 6.520 8.843 1.00 0.00 O ATOM 628 CB GLN A 488 -5.327 9.563 9.686 1.00 0.00 C ATOM 629 CG GLN A 488 -5.293 10.611 10.786 1.00 0.00 C ATOM 630 CD GLN A 488 -5.049 10.010 12.156 1.00 0.00 C ATOM 631 OE1 GLN A 488 -5.716 9.055 12.556 1.00 0.00 O ATOM 632 NE2 GLN A 488 -4.090 10.569 12.885 1.00 0.00 N ATOM 0 H GLN A 488 -3.182 10.591 9.024 1.00 0.00 H new ATOM 0 HA GLN A 488 -3.820 8.283 10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.525 10.054 8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -6.157 8.881 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.510 11.337 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -6.238 11.154 10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -3.562 11.359 12.514 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -3.881 10.208 13.816 1.00 0.00 H new ATOM 641 N THR A 489 -3.952 8.015 7.262 1.00 0.00 N ATOM 642 CA THR A 489 -4.072 7.064 6.163 1.00 0.00 C ATOM 643 C THR A 489 -3.118 5.889 6.354 1.00 0.00 C ATOM 644 O THR A 489 -3.486 4.736 6.133 1.00 0.00 O ATOM 645 CB THR A 489 -3.785 7.756 4.830 1.00 0.00 C ATOM 646 OG1 THR A 489 -4.610 8.897 4.671 1.00 0.00 O ATOM 647 CG2 THR A 489 -4.006 6.860 3.631 1.00 0.00 C ATOM 0 H THR A 489 -3.672 8.954 6.979 1.00 0.00 H new ATOM 0 HA THR A 489 -5.093 6.683 6.155 1.00 0.00 H new ATOM 0 HB THR A 489 -2.731 8.032 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 489 -4.337 9.590 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 489 -3.785 7.413 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 489 -3.349 5.993 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 489 -5.044 6.528 3.611 1.00 0.00 H new ATOM 655 N VAL A 490 -1.890 6.190 6.765 1.00 0.00 N ATOM 656 CA VAL A 490 -0.884 5.158 6.985 1.00 0.00 C ATOM 657 C VAL A 490 -1.312 4.204 8.095 1.00 0.00 C ATOM 658 O VAL A 490 -1.174 2.987 7.969 1.00 0.00 O ATOM 659 CB VAL A 490 0.482 5.773 7.347 1.00 0.00 C ATOM 660 CG1 VAL A 490 1.550 4.694 7.442 1.00 0.00 C ATOM 661 CG2 VAL A 490 0.877 6.835 6.331 1.00 0.00 C ATOM 0 H VAL A 490 -1.568 7.140 6.952 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.787 4.604 6.051 1.00 0.00 H new ATOM 0 HB VAL A 490 0.394 6.250 8.323 1.00 0.00 H new ATOM 0 HG11 VAL A 490 2.506 5.150 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.273 3.975 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.637 4.183 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 490 1.844 7.258 6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 490 0.944 6.384 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 490 0.126 7.625 6.320 1.00 0.00 H new ATOM 671 N ASN A 491 -1.830 4.764 9.183 1.00 0.00 N ATOM 672 CA ASN A 491 -2.278 3.962 10.316 1.00 0.00 C ATOM 673 C ASN A 491 -3.384 2.999 9.898 1.00 0.00 C ATOM 674 O ASN A 491 -3.364 1.822 10.257 1.00 0.00 O ATOM 675 CB ASN A 491 -2.774 4.869 11.444 1.00 0.00 C ATOM 676 CG ASN A 491 -2.983 4.114 12.742 1.00 0.00 C ATOM 677 OD1 ASN A 491 -2.782 2.901 12.808 1.00 0.00 O ATOM 678 ND2 ASN A 491 -3.386 4.831 13.785 1.00 0.00 N ATOM 0 H ASN A 491 -1.950 5.770 9.304 1.00 0.00 H new ATOM 0 HA ASN A 491 -1.430 3.378 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 491 -2.054 5.671 11.605 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -3.711 5.338 11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -3.541 4.378 14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -3.540 5.834 13.685 1.00 0.00 H new ATOM 685 N VAL A 492 -4.348 3.507 9.136 1.00 0.00 N ATOM 686 CA VAL A 492 -5.462 2.691 8.669 1.00 0.00 C ATOM 687 C VAL A 492 -5.004 1.695 7.608 1.00 0.00 C ATOM 688 O VAL A 492 -5.342 0.514 7.665 1.00 0.00 O ATOM 689 CB VAL A 492 -6.591 3.563 8.086 1.00 0.00 C ATOM 690 CG1 VAL A 492 -7.800 2.710 7.730 1.00 0.00 C ATOM 691 CG2 VAL A 492 -6.975 4.663 9.066 1.00 0.00 C ATOM 0 H VAL A 492 -4.380 4.479 8.829 1.00 0.00 H new ATOM 0 HA VAL A 492 -5.843 2.148 9.534 1.00 0.00 H new ATOM 0 HB VAL A 492 -6.227 4.031 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -8.585 3.345 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -7.513 1.964 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -8.168 2.209 8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -7.773 5.269 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -7.319 4.216 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -6.108 5.293 9.264 1.00 0.00 H new ATOM 701 N LEU A 493 -4.233 2.182 6.641 1.00 0.00 N ATOM 702 CA LEU A 493 -3.727 1.336 5.567 1.00 0.00 C ATOM 703 C LEU A 493 -2.756 0.292 6.105 1.00 0.00 C ATOM 704 O LEU A 493 -2.708 -0.836 5.616 1.00 0.00 O ATOM 705 CB LEU A 493 -3.038 2.189 4.500 1.00 0.00 C ATOM 706 CG LEU A 493 -3.956 2.715 3.395 1.00 0.00 C ATOM 707 CD1 LEU A 493 -4.413 1.577 2.497 1.00 0.00 C ATOM 708 CD2 LEU A 493 -5.153 3.438 3.995 1.00 0.00 C ATOM 0 H LEU A 493 -3.945 3.159 6.579 1.00 0.00 H new ATOM 0 HA LEU A 493 -4.574 0.818 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.561 3.038 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -2.245 1.598 4.041 1.00 0.00 H new ATOM 0 HG LEU A 493 -3.395 3.426 2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -5.065 1.969 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -3.544 1.103 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -4.958 0.842 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -5.795 3.805 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -5.716 2.749 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -4.806 4.278 4.597 1.00 0.00 H new ATOM 720 N ALA A 494 -1.981 0.674 7.115 1.00 0.00 N ATOM 721 CA ALA A 494 -1.009 -0.232 7.717 1.00 0.00 C ATOM 722 C ALA A 494 -1.694 -1.449 8.327 1.00 0.00 C ATOM 723 O ALA A 494 -1.216 -2.576 8.193 1.00 0.00 O ATOM 724 CB ALA A 494 -0.191 0.498 8.772 1.00 0.00 C ATOM 0 H ALA A 494 -2.007 1.604 7.534 1.00 0.00 H new ATOM 0 HA ALA A 494 -0.341 -0.581 6.930 1.00 0.00 H new ATOM 0 HB1 ALA A 494 0.530 -0.190 9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 494 0.338 1.332 8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -0.855 0.876 9.550 1.00 0.00 H new ATOM 730 N GLN A 495 -2.816 -1.213 8.996 1.00 0.00 N ATOM 731 CA GLN A 495 -3.571 -2.289 9.629 1.00 0.00 C ATOM 732 C GLN A 495 -4.160 -3.232 8.585 1.00 0.00 C ATOM 733 O GLN A 495 -4.203 -4.445 8.785 1.00 0.00 O ATOM 734 CB GLN A 495 -4.689 -1.711 10.499 1.00 0.00 C ATOM 735 CG GLN A 495 -4.184 -0.897 11.679 1.00 0.00 C ATOM 736 CD GLN A 495 -3.479 -1.750 12.716 1.00 0.00 C ATOM 737 OE1 GLN A 495 -3.239 -2.937 12.501 1.00 0.00 O ATOM 738 NE2 GLN A 495 -3.144 -1.145 13.850 1.00 0.00 N ATOM 0 H GLN A 495 -3.224 -0.286 9.115 1.00 0.00 H new ATOM 0 HA GLN A 495 -2.886 -2.857 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 495 -5.329 -1.081 9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 495 -5.308 -2.528 10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -3.499 -0.129 11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -5.023 -0.382 12.147 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -3.363 -0.158 13.985 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -2.668 -1.667 14.585 1.00 0.00 H new ATOM 747 N ILE A 496 -4.614 -2.664 7.473 1.00 0.00 N ATOM 748 CA ILE A 496 -5.201 -3.450 6.397 1.00 0.00 C ATOM 749 C ILE A 496 -4.117 -4.132 5.565 1.00 0.00 C ATOM 750 O ILE A 496 -4.167 -5.339 5.330 1.00 0.00 O ATOM 751 CB ILE A 496 -6.098 -2.562 5.496 1.00 0.00 C ATOM 752 CG1 ILE A 496 -7.575 -2.836 5.785 1.00 0.00 C ATOM 753 CG2 ILE A 496 -5.797 -2.773 4.019 1.00 0.00 C ATOM 754 CD1 ILE A 496 -8.494 -1.718 5.342 1.00 0.00 C ATOM 0 H ILE A 496 -4.586 -1.660 7.294 1.00 0.00 H new ATOM 0 HA ILE A 496 -5.823 -4.224 6.847 1.00 0.00 H new ATOM 0 HB ILE A 496 -5.877 -1.521 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -7.870 -3.758 5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -7.704 -2.999 6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -6.446 -2.133 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -4.755 -2.521 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -5.974 -3.816 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -9.525 -1.980 5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -8.225 -0.798 5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -8.394 -1.569 4.267 1.00 0.00 H new ATOM 766 N LEU A 497 -3.139 -3.349 5.122 1.00 0.00 N ATOM 767 CA LEU A 497 -2.046 -3.877 4.315 1.00 0.00 C ATOM 768 C LEU A 497 -1.290 -4.968 5.062 1.00 0.00 C ATOM 769 O LEU A 497 -1.175 -6.091 4.579 1.00 0.00 O ATOM 770 CB LEU A 497 -1.087 -2.753 3.920 1.00 0.00 C ATOM 771 CG LEU A 497 -1.454 -2.011 2.634 1.00 0.00 C ATOM 772 CD1 LEU A 497 -0.815 -0.632 2.610 1.00 0.00 C ATOM 773 CD2 LEU A 497 -1.032 -2.820 1.416 1.00 0.00 C ATOM 0 H LEU A 497 -3.081 -2.348 5.308 1.00 0.00 H new ATOM 0 HA LEU A 497 -2.475 -4.314 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 497 -1.040 -2.032 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 497 -0.087 -3.172 3.807 1.00 0.00 H new ATOM 0 HG LEU A 497 -2.536 -1.885 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 497 -1.088 -0.120 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 497 -1.167 -0.053 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 497 0.269 -0.732 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 497 -1.300 -2.278 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.046 -2.977 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 497 -1.540 -3.785 1.426 1.00 0.00 H new ATOM 785 N LYS A 498 -0.776 -4.638 6.243 1.00 0.00 N ATOM 786 CA LYS A 498 -0.029 -5.605 7.043 1.00 0.00 C ATOM 787 C LYS A 498 -0.782 -6.931 7.146 1.00 0.00 C ATOM 788 O LYS A 498 -0.175 -7.997 7.222 1.00 0.00 O ATOM 789 CB LYS A 498 0.266 -5.034 8.438 1.00 0.00 C ATOM 790 CG LYS A 498 -0.888 -5.148 9.426 1.00 0.00 C ATOM 791 CD LYS A 498 -0.515 -6.007 10.625 1.00 0.00 C ATOM 792 CE LYS A 498 -0.132 -7.418 10.204 1.00 0.00 C ATOM 793 NZ LYS A 498 -1.327 -8.284 10.009 1.00 0.00 N ATOM 0 H LYS A 498 -0.862 -3.714 6.666 1.00 0.00 H new ATOM 0 HA LYS A 498 0.920 -5.799 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 498 1.133 -5.549 8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 498 0.538 -3.983 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 498 -1.177 -4.153 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 498 -1.755 -5.578 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 498 0.317 -5.547 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 498 -1.354 -6.049 11.319 1.00 0.00 H new ATOM 0 HE2 LYS A 498 0.442 -7.377 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 498 0.516 -7.859 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 -1.116 -9.012 9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 -1.574 -8.742 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 -2.127 -7.704 9.685 1.00 0.00 H new ATOM 807 N ARG A 499 -2.109 -6.854 7.147 1.00 0.00 N ATOM 808 CA ARG A 499 -2.948 -8.043 7.238 1.00 0.00 C ATOM 809 C ARG A 499 -3.070 -8.746 5.887 1.00 0.00 C ATOM 810 O ARG A 499 -3.324 -9.949 5.825 1.00 0.00 O ATOM 811 CB ARG A 499 -4.338 -7.668 7.753 1.00 0.00 C ATOM 812 CG ARG A 499 -5.206 -8.869 8.094 1.00 0.00 C ATOM 813 CD ARG A 499 -4.800 -9.488 9.421 1.00 0.00 C ATOM 814 NE ARG A 499 -5.569 -10.693 9.721 1.00 0.00 N ATOM 815 CZ ARG A 499 -5.321 -11.885 9.184 1.00 0.00 C ATOM 816 NH1 ARG A 499 -4.326 -12.035 8.317 1.00 0.00 N ATOM 817 NH2 ARG A 499 -6.069 -12.929 9.512 1.00 0.00 N ATOM 0 H ARG A 499 -2.627 -5.978 7.086 1.00 0.00 H new ATOM 0 HA ARG A 499 -2.474 -8.732 7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 499 -4.231 -7.044 8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 499 -4.845 -7.066 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 499 -6.251 -8.563 8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 499 -5.125 -9.615 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 499 -3.738 -9.732 9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 499 -4.942 -8.759 10.219 1.00 0.00 H new ATOM 0 HE ARG A 499 -6.342 -10.616 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 499 -3.748 -11.235 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 499 -4.140 -12.951 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 499 -6.835 -12.819 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 499 -5.878 -13.842 9.100 1.00 0.00 H new ATOM 831 N LEU A 500 -2.908 -7.987 4.806 1.00 0.00 N ATOM 832 CA LEU A 500 -3.023 -8.539 3.459 1.00 0.00 C ATOM 833 C LEU A 500 -2.076 -9.712 3.236 1.00 0.00 C ATOM 834 O LEU A 500 -2.461 -10.727 2.658 1.00 0.00 O ATOM 835 CB LEU A 500 -2.775 -7.453 2.408 1.00 0.00 C ATOM 836 CG LEU A 500 -4.038 -6.794 1.849 1.00 0.00 C ATOM 837 CD1 LEU A 500 -3.702 -5.460 1.201 1.00 0.00 C ATOM 838 CD2 LEU A 500 -4.721 -7.717 0.852 1.00 0.00 C ATOM 0 H LEU A 500 -2.697 -6.990 4.836 1.00 0.00 H new ATOM 0 HA LEU A 500 -4.041 -8.914 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 500 -2.144 -6.680 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 500 -2.215 -7.890 1.581 1.00 0.00 H new ATOM 0 HG LEU A 500 -4.726 -6.609 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 500 -4.612 -5.006 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 500 -3.256 -4.797 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 500 -2.996 -5.619 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -5.617 -7.234 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -4.039 -7.932 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -4.996 -8.648 1.348 1.00 0.00 H new ATOM 850 N ASN A 501 -0.839 -9.569 3.688 1.00 0.00 N ATOM 851 CA ASN A 501 0.155 -10.624 3.522 1.00 0.00 C ATOM 852 C ASN A 501 0.345 -10.960 2.043 1.00 0.00 C ATOM 853 O ASN A 501 0.273 -12.124 1.646 1.00 0.00 O ATOM 854 CB ASN A 501 -0.268 -11.876 4.293 1.00 0.00 C ATOM 855 CG ASN A 501 0.913 -12.611 4.897 1.00 0.00 C ATOM 856 OD1 ASN A 501 2.043 -12.487 4.425 1.00 0.00 O ATOM 857 ND2 ASN A 501 0.655 -13.381 5.947 1.00 0.00 N ATOM 0 H ASN A 501 -0.499 -8.737 4.171 1.00 0.00 H new ATOM 0 HA ASN A 501 1.104 -10.265 3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 501 -0.961 -11.594 5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 501 -0.806 -12.547 3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 501 1.409 -13.900 6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 501 -0.298 -13.454 6.304 1.00 0.00 H new ATOM 864 N PRO A 502 0.594 -9.938 1.205 1.00 0.00 N ATOM 865 CA PRO A 502 0.798 -10.126 -0.235 1.00 0.00 C ATOM 866 C PRO A 502 2.137 -10.782 -0.552 1.00 0.00 C ATOM 867 O PRO A 502 3.095 -10.657 0.210 1.00 0.00 O ATOM 868 CB PRO A 502 0.761 -8.699 -0.784 1.00 0.00 C ATOM 869 CG PRO A 502 1.211 -7.849 0.352 1.00 0.00 C ATOM 870 CD PRO A 502 0.701 -8.520 1.597 1.00 0.00 C ATOM 0 HA PRO A 502 0.049 -10.787 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 502 1.418 -8.589 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 502 -0.242 -8.426 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 502 2.298 -7.765 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 502 0.815 -6.837 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 502 1.386 -8.386 2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 502 -0.263 -8.115 1.905 1.00 0.00 H new ATOM 878 N GLU A 503 2.197 -11.478 -1.681 1.00 0.00 N ATOM 879 CA GLU A 503 3.422 -12.150 -2.099 1.00 0.00 C ATOM 880 C GLU A 503 4.549 -11.143 -2.299 1.00 0.00 C ATOM 881 O GLU A 503 4.322 -10.028 -2.769 1.00 0.00 O ATOM 882 CB GLU A 503 3.185 -12.933 -3.392 1.00 0.00 C ATOM 883 CG GLU A 503 2.152 -14.040 -3.253 1.00 0.00 C ATOM 884 CD GLU A 503 1.990 -14.852 -4.522 1.00 0.00 C ATOM 885 OE1 GLU A 503 2.508 -14.420 -5.574 1.00 0.00 O ATOM 886 OE2 GLU A 503 1.344 -15.920 -4.466 1.00 0.00 O ATOM 0 H GLU A 503 1.413 -11.592 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 503 3.714 -12.846 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 503 2.862 -12.242 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 503 4.129 -13.367 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 503 2.443 -14.702 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 503 1.191 -13.603 -2.981 1.00 0.00 H new ATOM 893 N ARG A 504 5.765 -11.541 -1.939 1.00 0.00 N ATOM 894 CA ARG A 504 6.925 -10.670 -2.079 1.00 0.00 C ATOM 895 C ARG A 504 7.689 -10.981 -3.363 1.00 0.00 C ATOM 896 O ARG A 504 8.207 -12.083 -3.538 1.00 0.00 O ATOM 897 CB ARG A 504 7.852 -10.824 -0.872 1.00 0.00 C ATOM 898 CG ARG A 504 7.121 -10.811 0.462 1.00 0.00 C ATOM 899 CD ARG A 504 7.096 -12.191 1.100 1.00 0.00 C ATOM 900 NE ARG A 504 5.814 -12.864 0.899 1.00 0.00 N ATOM 901 CZ ARG A 504 5.478 -14.011 1.485 1.00 0.00 C ATOM 902 NH1 ARG A 504 6.325 -14.615 2.310 1.00 0.00 N ATOM 903 NH2 ARG A 504 4.293 -14.554 1.248 1.00 0.00 N ATOM 0 H ARG A 504 5.972 -12.460 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 504 6.570 -9.640 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 504 8.404 -11.759 -0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 504 8.586 -10.018 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 504 7.607 -10.106 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 504 6.100 -10.459 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 504 7.895 -12.800 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 504 7.294 -12.100 2.168 1.00 0.00 H new ATOM 0 HE ARG A 504 5.137 -12.429 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 504 7.238 -14.200 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 504 6.063 -15.494 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 504 3.638 -14.093 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 504 4.036 -15.433 1.697 1.00 0.00 H new ATOM 917 N LYS A 505 7.754 -10.000 -4.258 1.00 0.00 N ATOM 918 CA LYS A 505 8.454 -10.166 -5.525 1.00 0.00 C ATOM 919 C LYS A 505 9.342 -8.960 -5.817 1.00 0.00 C ATOM 920 O LYS A 505 8.962 -7.820 -5.553 1.00 0.00 O ATOM 921 CB LYS A 505 7.452 -10.364 -6.665 1.00 0.00 C ATOM 922 CG LYS A 505 6.608 -11.620 -6.521 1.00 0.00 C ATOM 923 CD LYS A 505 5.714 -11.831 -7.732 1.00 0.00 C ATOM 924 CE LYS A 505 4.788 -13.021 -7.540 1.00 0.00 C ATOM 925 NZ LYS A 505 5.415 -14.293 -7.995 1.00 0.00 N ATOM 0 H LYS A 505 7.330 -9.082 -4.128 1.00 0.00 H new ATOM 0 HA LYS A 505 9.086 -11.051 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.793 -9.497 -6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.993 -10.406 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 505 7.259 -12.485 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 505 5.995 -11.547 -5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 505 5.122 -10.933 -7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.330 -11.987 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.519 -13.105 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 505 3.863 -12.854 -8.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 4.751 -15.080 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 5.649 -14.223 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 6.284 -14.466 -7.450 1.00 0.00 H new ATOM 939 N MET A 506 10.526 -9.220 -6.363 1.00 0.00 N ATOM 940 CA MET A 506 11.466 -8.155 -6.689 1.00 0.00 C ATOM 941 C MET A 506 11.417 -7.822 -8.177 1.00 0.00 C ATOM 942 O MET A 506 11.755 -8.652 -9.020 1.00 0.00 O ATOM 943 CB MET A 506 12.887 -8.561 -6.292 1.00 0.00 C ATOM 944 CG MET A 506 13.070 -8.751 -4.796 1.00 0.00 C ATOM 945 SD MET A 506 14.790 -9.030 -4.336 1.00 0.00 S ATOM 946 CE MET A 506 15.475 -7.394 -4.575 1.00 0.00 C ATOM 0 H MET A 506 10.856 -10.158 -6.589 1.00 0.00 H new ATOM 0 HA MET A 506 11.179 -7.267 -6.127 1.00 0.00 H new ATOM 0 HB2 MET A 506 13.147 -9.489 -6.802 1.00 0.00 H new ATOM 0 HB3 MET A 506 13.584 -7.799 -6.641 1.00 0.00 H new ATOM 0 HG2 MET A 506 12.697 -7.870 -4.274 1.00 0.00 H new ATOM 0 HG3 MET A 506 12.468 -9.597 -4.465 1.00 0.00 H new ATOM 0 HE1 MET A 506 16.432 -7.321 -4.058 1.00 0.00 H new ATOM 0 HE2 MET A 506 15.623 -7.214 -5.640 1.00 0.00 H new ATOM 0 HE3 MET A 506 14.788 -6.650 -4.173 1.00 0.00 H new ATOM 956 N ILE A 507 10.994 -6.601 -8.491 1.00 0.00 N ATOM 957 CA ILE A 507 10.902 -6.157 -9.877 1.00 0.00 C ATOM 958 C ILE A 507 11.765 -4.923 -10.116 1.00 0.00 C ATOM 959 O ILE A 507 11.627 -3.913 -9.424 1.00 0.00 O ATOM 960 CB ILE A 507 9.445 -5.836 -10.268 1.00 0.00 C ATOM 961 CG1 ILE A 507 8.527 -7.004 -9.905 1.00 0.00 C ATOM 962 CG2 ILE A 507 9.351 -5.522 -11.754 1.00 0.00 C ATOM 963 CD1 ILE A 507 7.063 -6.723 -10.161 1.00 0.00 C ATOM 0 H ILE A 507 10.710 -5.902 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 507 11.265 -6.976 -10.498 1.00 0.00 H new ATOM 0 HB ILE A 507 9.121 -4.957 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 507 8.826 -7.882 -10.478 1.00 0.00 H new ATOM 0 HG13 ILE A 507 8.663 -7.249 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 507 8.316 -5.298 -12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 507 9.978 -4.661 -11.984 1.00 0.00 H new ATOM 0 HG23 ILE A 507 9.691 -6.383 -12.330 1.00 0.00 H new ATOM 0 HD11 ILE A 507 6.471 -7.594 -9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 507 6.748 -5.864 -9.568 1.00 0.00 H new ATOM 0 HD13 ILE A 507 6.913 -6.508 -11.219 1.00 0.00 H new ATOM 975 N ASN A 508 12.657 -5.011 -11.097 1.00 0.00 N ATOM 976 CA ASN A 508 13.544 -3.901 -11.427 1.00 0.00 C ATOM 977 C ASN A 508 14.378 -3.491 -10.216 1.00 0.00 C ATOM 978 O ASN A 508 14.564 -2.303 -9.950 1.00 0.00 O ATOM 979 CB ASN A 508 12.733 -2.706 -11.932 1.00 0.00 C ATOM 980 CG ASN A 508 13.581 -1.717 -12.707 1.00 0.00 C ATOM 981 OD1 ASN A 508 14.670 -2.048 -13.174 1.00 0.00 O ATOM 982 ND2 ASN A 508 13.083 -0.493 -12.848 1.00 0.00 N ATOM 0 H ASN A 508 12.785 -5.840 -11.678 1.00 0.00 H new ATOM 0 HA ASN A 508 14.221 -4.231 -12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 508 11.923 -3.063 -12.568 1.00 0.00 H new ATOM 0 HB3 ASN A 508 12.272 -2.199 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 508 13.608 0.215 -13.360 1.00 0.00 H new ATOM 0 HD22 ASN A 508 12.175 -0.262 -12.444 1.00 0.00 H new ATOM 989 N ASP A 509 14.876 -4.483 -9.485 1.00 0.00 N ATOM 990 CA ASP A 509 15.689 -4.227 -8.303 1.00 0.00 C ATOM 991 C ASP A 509 14.915 -3.404 -7.278 1.00 0.00 C ATOM 992 O ASP A 509 15.469 -2.511 -6.636 1.00 0.00 O ATOM 993 CB ASP A 509 16.978 -3.500 -8.691 1.00 0.00 C ATOM 994 CG ASP A 509 17.874 -4.343 -9.577 1.00 0.00 C ATOM 995 OD1 ASP A 509 17.674 -5.575 -9.625 1.00 0.00 O ATOM 996 OD2 ASP A 509 18.776 -3.771 -10.225 1.00 0.00 O ATOM 0 H ASP A 509 14.730 -5.471 -9.691 1.00 0.00 H new ATOM 0 HA ASP A 509 15.944 -5.187 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 509 16.728 -2.574 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 509 17.522 -3.223 -7.788 1.00 0.00 H new ATOM 1001 N LYS A 510 13.632 -3.712 -7.128 1.00 0.00 N ATOM 1002 CA LYS A 510 12.779 -3.001 -6.182 1.00 0.00 C ATOM 1003 C LYS A 510 11.785 -3.953 -5.524 1.00 0.00 C ATOM 1004 O LYS A 510 11.348 -4.929 -6.135 1.00 0.00 O ATOM 1005 CB LYS A 510 12.030 -1.870 -6.888 1.00 0.00 C ATOM 1006 CG LYS A 510 11.260 -0.965 -5.938 1.00 0.00 C ATOM 1007 CD LYS A 510 12.191 -0.033 -5.177 1.00 0.00 C ATOM 1008 CE LYS A 510 12.023 1.410 -5.622 1.00 0.00 C ATOM 1009 NZ LYS A 510 12.992 1.779 -6.690 1.00 0.00 N ATOM 0 H LYS A 510 13.159 -4.450 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 510 13.415 -2.576 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 510 12.744 -1.269 -7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 510 11.336 -2.300 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 510 10.536 -0.377 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 510 10.696 -1.574 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 510 11.991 -0.111 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 510 13.224 -0.344 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 510 11.007 1.561 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 510 12.157 2.072 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 12.844 2.771 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 13.962 1.659 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 12.848 1.165 -7.517 1.00 0.00 H new ATOM 1023 N MET A 511 11.433 -3.664 -4.276 1.00 0.00 N ATOM 1024 CA MET A 511 10.491 -4.495 -3.536 1.00 0.00 C ATOM 1025 C MET A 511 9.058 -4.230 -3.989 1.00 0.00 C ATOM 1026 O MET A 511 8.556 -3.113 -3.874 1.00 0.00 O ATOM 1027 CB MET A 511 10.618 -4.233 -2.034 1.00 0.00 C ATOM 1028 CG MET A 511 9.799 -5.185 -1.178 1.00 0.00 C ATOM 1029 SD MET A 511 9.805 -4.732 0.567 1.00 0.00 S ATOM 1030 CE MET A 511 11.541 -4.935 0.962 1.00 0.00 C ATOM 0 H MET A 511 11.786 -2.861 -3.756 1.00 0.00 H new ATOM 0 HA MET A 511 10.730 -5.539 -3.738 1.00 0.00 H new ATOM 0 HB2 MET A 511 11.667 -4.311 -1.748 1.00 0.00 H new ATOM 0 HB3 MET A 511 10.306 -3.210 -1.825 1.00 0.00 H new ATOM 0 HG2 MET A 511 8.771 -5.201 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.192 -6.196 -1.288 1.00 0.00 H new ATOM 0 HE1 MET A 511 11.670 -4.937 2.044 1.00 0.00 H new ATOM 0 HE2 MET A 511 11.899 -5.879 0.552 1.00 0.00 H new ATOM 0 HE3 MET A 511 12.111 -4.112 0.530 1.00 0.00 H new ATOM 1040 N HIS A 512 8.406 -5.268 -4.504 1.00 0.00 N ATOM 1041 CA HIS A 512 7.031 -5.150 -4.974 1.00 0.00 C ATOM 1042 C HIS A 512 6.157 -6.250 -4.380 1.00 0.00 C ATOM 1043 O HIS A 512 6.606 -7.381 -4.192 1.00 0.00 O ATOM 1044 CB HIS A 512 6.983 -5.217 -6.502 1.00 0.00 C ATOM 1045 CG HIS A 512 7.443 -3.960 -7.172 1.00 0.00 C ATOM 1046 ND1 HIS A 512 8.706 -3.810 -7.706 1.00 0.00 N ATOM 1047 CD2 HIS A 512 6.799 -2.790 -7.398 1.00 0.00 C ATOM 1048 CE1 HIS A 512 8.819 -2.602 -8.230 1.00 0.00 C ATOM 1049 NE2 HIS A 512 7.677 -1.964 -8.056 1.00 0.00 N ATOM 0 H HIS A 512 8.808 -6.200 -4.606 1.00 0.00 H new ATOM 0 HA HIS A 512 6.644 -4.185 -4.647 1.00 0.00 H new ATOM 0 HB2 HIS A 512 7.603 -6.047 -6.841 1.00 0.00 H new ATOM 0 HB3 HIS A 512 5.962 -5.433 -6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 512 5.785 -2.551 -7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 512 9.697 -2.205 -8.718 1.00 0.00 H new ATOM 0 HE2 HIS A 512 7.478 -1.011 -8.361 1.00 0.00 H new ATOM 1058 N PHE A 513 4.905 -5.912 -4.090 1.00 0.00 N ATOM 1059 CA PHE A 513 3.966 -6.872 -3.520 1.00 0.00 C ATOM 1060 C PHE A 513 2.919 -7.281 -4.551 1.00 0.00 C ATOM 1061 O PHE A 513 2.336 -6.434 -5.228 1.00 0.00 O ATOM 1062 CB PHE A 513 3.282 -6.278 -2.287 1.00 0.00 C ATOM 1063 CG PHE A 513 4.224 -6.014 -1.147 1.00 0.00 C ATOM 1064 CD1 PHE A 513 4.578 -7.031 -0.276 1.00 0.00 C ATOM 1065 CD2 PHE A 513 4.756 -4.751 -0.949 1.00 0.00 C ATOM 1066 CE1 PHE A 513 5.445 -6.793 0.774 1.00 0.00 C ATOM 1067 CE2 PHE A 513 5.624 -4.505 0.099 1.00 0.00 C ATOM 1068 CZ PHE A 513 5.969 -5.528 0.961 1.00 0.00 C ATOM 0 H PHE A 513 4.517 -4.981 -4.240 1.00 0.00 H new ATOM 0 HA PHE A 513 4.525 -7.759 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 513 2.793 -5.345 -2.567 1.00 0.00 H new ATOM 0 HB3 PHE A 513 2.500 -6.960 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 513 4.172 -8.022 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 513 4.490 -3.949 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 513 5.712 -7.594 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 513 6.031 -3.515 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 513 6.647 -5.339 1.780 1.00 0.00 H new ATOM 1078 N SER A 514 2.685 -8.585 -4.667 1.00 0.00 N ATOM 1079 CA SER A 514 1.709 -9.104 -5.617 1.00 0.00 C ATOM 1080 C SER A 514 0.660 -9.957 -4.912 1.00 0.00 C ATOM 1081 O SER A 514 0.954 -10.630 -3.924 1.00 0.00 O ATOM 1082 CB SER A 514 2.409 -9.930 -6.698 1.00 0.00 C ATOM 1083 OG SER A 514 3.426 -9.176 -7.337 1.00 0.00 O ATOM 0 H SER A 514 3.158 -9.300 -4.115 1.00 0.00 H new ATOM 0 HA SER A 514 1.208 -8.255 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.841 -10.826 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.679 -10.262 -7.437 1.00 0.00 H new ATOM 0 HG SER A 514 3.329 -9.254 -8.309 1.00 0.00 H new ATOM 1089 N LEU A 515 -0.565 -9.922 -5.425 1.00 0.00 N ATOM 1090 CA LEU A 515 -1.659 -10.691 -4.845 1.00 0.00 C ATOM 1091 C LEU A 515 -2.416 -11.460 -5.923 1.00 0.00 C ATOM 1092 O LEU A 515 -2.633 -10.954 -7.024 1.00 0.00 O ATOM 1093 CB LEU A 515 -2.619 -9.766 -4.094 1.00 0.00 C ATOM 1094 CG LEU A 515 -2.206 -9.435 -2.659 1.00 0.00 C ATOM 1095 CD1 LEU A 515 -2.724 -8.063 -2.258 1.00 0.00 C ATOM 1096 CD2 LEU A 515 -2.715 -10.501 -1.700 1.00 0.00 C ATOM 0 H LEU A 515 -0.825 -9.369 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 515 -1.233 -11.408 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -2.715 -8.835 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -3.606 -10.229 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 515 -1.117 -9.418 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -2.421 -7.845 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -2.311 -7.308 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.812 -8.051 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -2.412 -10.250 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -3.803 -10.549 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -2.295 -11.468 -1.975 1.00 0.00 H new ATOM 1108 N LYS A 516 -2.816 -12.685 -5.597 1.00 0.00 N ATOM 1109 CA LYS A 516 -3.551 -13.524 -6.538 1.00 0.00 C ATOM 1110 C LYS A 516 -4.868 -13.996 -5.931 1.00 0.00 C ATOM 1111 O LYS A 516 -4.909 -14.999 -5.218 1.00 0.00 O ATOM 1112 CB LYS A 516 -2.703 -14.729 -6.947 1.00 0.00 C ATOM 1113 CG LYS A 516 -3.334 -15.573 -8.042 1.00 0.00 C ATOM 1114 CD LYS A 516 -2.486 -16.793 -8.363 1.00 0.00 C ATOM 1115 CE LYS A 516 -3.032 -17.551 -9.563 1.00 0.00 C ATOM 1116 NZ LYS A 516 -4.190 -18.411 -9.198 1.00 0.00 N ATOM 0 H LYS A 516 -2.644 -13.119 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 516 -3.773 -12.928 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 516 -1.728 -14.378 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 516 -2.530 -15.355 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 516 -4.328 -15.892 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 516 -3.460 -14.970 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 516 -1.461 -16.482 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 516 -2.455 -17.454 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 516 -3.336 -16.841 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 516 -2.243 -18.168 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 -4.532 -18.910 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 -3.895 -19.105 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 -4.954 -17.820 -8.812 1.00 0.00 H new ATOM 1130 N GLU A 517 -5.941 -13.267 -6.218 1.00 0.00 N ATOM 1131 CA GLU A 517 -7.260 -13.611 -5.700 1.00 0.00 C ATOM 1132 C GLU A 517 -7.267 -13.599 -4.175 1.00 0.00 C ATOM 1133 O GLU A 517 -6.938 -14.645 -3.574 1.00 0.00 O ATOM 1134 CB GLU A 517 -7.689 -14.987 -6.214 1.00 0.00 C ATOM 1135 CG GLU A 517 -9.116 -15.358 -5.840 1.00 0.00 C ATOM 1136 CD GLU A 517 -9.489 -16.761 -6.276 1.00 0.00 C ATOM 1137 OE1 GLU A 517 -8.619 -17.464 -6.833 1.00 0.00 O ATOM 1138 OE2 GLU A 517 -10.654 -17.160 -6.060 1.00 0.00 O ATOM 1139 OXT GLU A 517 -7.599 -12.546 -3.594 1.00 0.00 O ATOM 0 H GLU A 517 -5.923 -12.434 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 517 -7.968 -12.862 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -7.589 -15.008 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -7.010 -15.742 -5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -9.238 -15.273 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -9.804 -14.645 -6.296 1.00 0.00 H new TER 1146 GLU A 517 ATOM 1147 N GLY B 941 6.462 12.626 -5.634 1.00 0.00 N ATOM 1148 CA GLY B 941 7.761 12.536 -6.358 1.00 0.00 C ATOM 1149 C GLY B 941 8.886 13.230 -5.617 1.00 0.00 C ATOM 1150 O GLY B 941 8.896 14.455 -5.495 1.00 0.00 O ATOM 0 HA2 GLY B 941 8.020 11.487 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY B 941 7.654 12.980 -7.348 1.00 0.00 H new ATOM 1154 N SER B 942 9.837 12.446 -5.121 1.00 0.00 N ATOM 1155 CA SER B 942 10.974 12.993 -4.388 1.00 0.00 C ATOM 1156 C SER B 942 10.508 13.742 -3.143 1.00 0.00 C ATOM 1157 O SER B 942 10.847 14.909 -2.943 1.00 0.00 O ATOM 1158 CB SER B 942 11.786 13.925 -5.289 1.00 0.00 C ATOM 1159 OG SER B 942 12.591 13.188 -6.193 1.00 0.00 O ATOM 0 H SER B 942 9.844 11.430 -5.213 1.00 0.00 H new ATOM 0 HA SER B 942 11.607 12.164 -4.073 1.00 0.00 H new ATOM 0 HB2 SER B 942 11.112 14.576 -5.845 1.00 0.00 H new ATOM 0 HB3 SER B 942 12.418 14.569 -4.677 1.00 0.00 H new ATOM 0 HG SER B 942 13.098 13.807 -6.759 1.00 0.00 H new ATOM 1165 N SER B 943 9.730 13.063 -2.307 1.00 0.00 N ATOM 1166 CA SER B 943 9.217 13.664 -1.080 1.00 0.00 C ATOM 1167 C SER B 943 9.833 13.002 0.149 1.00 0.00 C ATOM 1168 O SER B 943 9.734 11.788 0.328 1.00 0.00 O ATOM 1169 CB SER B 943 7.694 13.544 -1.027 1.00 0.00 C ATOM 1170 OG SER B 943 7.184 14.038 0.199 1.00 0.00 O ATOM 0 H SER B 943 9.441 12.096 -2.456 1.00 0.00 H new ATOM 0 HA SER B 943 9.492 14.719 -1.079 1.00 0.00 H new ATOM 0 HB2 SER B 943 7.254 14.097 -1.856 1.00 0.00 H new ATOM 0 HB3 SER B 943 7.404 12.501 -1.151 1.00 0.00 H new ATOM 0 HG SER B 943 6.207 14.100 0.146 1.00 0.00 H new ATOM 1176 N SER B 944 10.470 13.808 0.992 1.00 0.00 N ATOM 1177 CA SER B 944 11.102 13.300 2.203 1.00 0.00 C ATOM 1178 C SER B 944 10.056 12.823 3.204 1.00 0.00 C ATOM 1179 O SER B 944 10.262 11.834 3.909 1.00 0.00 O ATOM 1180 CB SER B 944 11.977 14.382 2.840 1.00 0.00 C ATOM 1181 OG SER B 944 11.187 15.442 3.351 1.00 0.00 O ATOM 0 H SER B 944 10.562 14.815 0.859 1.00 0.00 H new ATOM 0 HA SER B 944 11.728 12.452 1.927 1.00 0.00 H new ATOM 0 HB2 SER B 944 12.571 13.947 3.644 1.00 0.00 H new ATOM 0 HB3 SER B 944 12.677 14.770 2.100 1.00 0.00 H new ATOM 0 HG SER B 944 11.770 16.119 3.754 1.00 0.00 H new ATOM 1187 N GLU B 945 8.933 13.531 3.261 1.00 0.00 N ATOM 1188 CA GLU B 945 7.853 13.179 4.177 1.00 0.00 C ATOM 1189 C GLU B 945 7.084 11.964 3.670 1.00 0.00 C ATOM 1190 O GLU B 945 6.685 11.099 4.450 1.00 0.00 O ATOM 1191 CB GLU B 945 6.900 14.364 4.353 1.00 0.00 C ATOM 1192 CG GLU B 945 6.157 14.742 3.083 1.00 0.00 C ATOM 1193 CD GLU B 945 5.311 15.990 3.250 1.00 0.00 C ATOM 1194 OE1 GLU B 945 5.141 16.443 4.402 1.00 0.00 O ATOM 1195 OE2 GLU B 945 4.818 16.514 2.229 1.00 0.00 O ATOM 0 H GLU B 945 8.747 14.351 2.684 1.00 0.00 H new ATOM 0 HA GLU B 945 8.295 12.930 5.142 1.00 0.00 H new ATOM 0 HB2 GLU B 945 6.175 14.124 5.130 1.00 0.00 H new ATOM 0 HB3 GLU B 945 7.467 15.227 4.702 1.00 0.00 H new ATOM 0 HG2 GLU B 945 6.876 14.900 2.279 1.00 0.00 H new ATOM 0 HG3 GLU B 945 5.518 13.913 2.780 1.00 0.00 H new ATOM 1202 N ALA B 946 6.882 11.903 2.357 1.00 0.00 N ATOM 1203 CA ALA B 946 6.162 10.794 1.745 1.00 0.00 C ATOM 1204 C ALA B 946 6.931 9.488 1.901 1.00 0.00 C ATOM 1205 O ALA B 946 6.340 8.430 2.121 1.00 0.00 O ATOM 1206 CB ALA B 946 5.901 11.083 0.275 1.00 0.00 C ATOM 0 H ALA B 946 7.207 12.610 1.697 1.00 0.00 H new ATOM 0 HA ALA B 946 5.206 10.685 2.258 1.00 0.00 H new ATOM 0 HB1 ALA B 946 5.362 10.246 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA B 946 5.303 11.990 0.183 1.00 0.00 H new ATOM 0 HB3 ALA B 946 6.850 11.220 -0.243 1.00 0.00 H new ATOM 1212 N ASP B 947 8.252 9.568 1.787 1.00 0.00 N ATOM 1213 CA ASP B 947 9.104 8.391 1.915 1.00 0.00 C ATOM 1214 C ASP B 947 8.953 7.757 3.294 1.00 0.00 C ATOM 1215 O ASP B 947 9.000 6.535 3.435 1.00 0.00 O ATOM 1216 CB ASP B 947 10.567 8.766 1.670 1.00 0.00 C ATOM 1217 CG ASP B 947 10.824 9.199 0.240 1.00 0.00 C ATOM 1218 OD1 ASP B 947 9.964 8.927 -0.626 1.00 0.00 O ATOM 1219 OD2 ASP B 947 11.883 9.809 -0.015 1.00 0.00 O ATOM 0 H ASP B 947 8.757 10.436 1.606 1.00 0.00 H new ATOM 0 HA ASP B 947 8.792 7.664 1.165 1.00 0.00 H new ATOM 0 HB2 ASP B 947 10.850 9.572 2.347 1.00 0.00 H new ATOM 0 HB3 ASP B 947 11.202 7.913 1.907 1.00 0.00 H new ATOM 1224 N GLU B 948 8.774 8.595 4.309 1.00 0.00 N ATOM 1225 CA GLU B 948 8.618 8.117 5.678 1.00 0.00 C ATOM 1226 C GLU B 948 7.409 7.195 5.800 1.00 0.00 C ATOM 1227 O GLU B 948 7.452 6.189 6.507 1.00 0.00 O ATOM 1228 CB GLU B 948 8.474 9.297 6.640 1.00 0.00 C ATOM 1229 CG GLU B 948 9.716 10.168 6.726 1.00 0.00 C ATOM 1230 CD GLU B 948 9.572 11.294 7.732 1.00 0.00 C ATOM 1231 OE1 GLU B 948 8.434 11.551 8.178 1.00 0.00 O ATOM 1232 OE2 GLU B 948 10.598 11.919 8.074 1.00 0.00 O ATOM 0 H GLU B 948 8.733 9.609 4.210 1.00 0.00 H new ATOM 0 HA GLU B 948 9.511 7.550 5.941 1.00 0.00 H new ATOM 0 HB2 GLU B 948 7.631 9.911 6.324 1.00 0.00 H new ATOM 0 HB3 GLU B 948 8.237 8.918 7.634 1.00 0.00 H new ATOM 0 HG2 GLU B 948 10.571 9.549 6.999 1.00 0.00 H new ATOM 0 HG3 GLU B 948 9.928 10.589 5.743 1.00 0.00 H new ATOM 1239 N MET B 949 6.330 7.546 5.108 1.00 0.00 N ATOM 1240 CA MET B 949 5.109 6.749 5.139 1.00 0.00 C ATOM 1241 C MET B 949 5.348 5.364 4.550 1.00 0.00 C ATOM 1242 O MET B 949 4.801 4.371 5.031 1.00 0.00 O ATOM 1243 CB MET B 949 3.992 7.457 4.371 1.00 0.00 C ATOM 1244 CG MET B 949 3.551 8.767 5.007 1.00 0.00 C ATOM 1245 SD MET B 949 2.013 9.396 4.307 1.00 0.00 S ATOM 1246 CE MET B 949 2.470 9.571 2.584 1.00 0.00 C ATOM 0 H MET B 949 6.276 8.377 4.519 1.00 0.00 H new ATOM 0 HA MET B 949 4.807 6.634 6.180 1.00 0.00 H new ATOM 0 HB2 MET B 949 4.330 7.652 3.353 1.00 0.00 H new ATOM 0 HB3 MET B 949 3.133 6.790 4.299 1.00 0.00 H new ATOM 0 HG2 MET B 949 3.424 8.621 6.080 1.00 0.00 H new ATOM 0 HG3 MET B 949 4.336 9.512 4.877 1.00 0.00 H new ATOM 0 HE1 MET B 949 2.361 10.613 2.283 1.00 0.00 H new ATOM 0 HE2 MET B 949 3.506 9.261 2.449 1.00 0.00 H new ATOM 0 HE3 MET B 949 1.821 8.946 1.970 1.00 0.00 H new ATOM 1256 N ALA B 950 6.167 5.303 3.506 1.00 0.00 N ATOM 1257 CA ALA B 950 6.477 4.038 2.850 1.00 0.00 C ATOM 1258 C ALA B 950 7.296 3.130 3.762 1.00 0.00 C ATOM 1259 O ALA B 950 7.040 1.930 3.849 1.00 0.00 O ATOM 1260 CB ALA B 950 7.221 4.289 1.547 1.00 0.00 C ATOM 0 H ALA B 950 6.628 6.115 3.096 1.00 0.00 H new ATOM 0 HA ALA B 950 5.537 3.533 2.629 1.00 0.00 H new ATOM 0 HB1 ALA B 950 7.446 3.336 1.067 1.00 0.00 H new ATOM 0 HB2 ALA B 950 6.600 4.891 0.884 1.00 0.00 H new ATOM 0 HB3 ALA B 950 8.150 4.819 1.755 1.00 0.00 H new ATOM 1266 N LYS B 951 8.280 3.711 4.440 1.00 0.00 N ATOM 1267 CA LYS B 951 9.136 2.953 5.345 1.00 0.00 C ATOM 1268 C LYS B 951 8.314 2.290 6.445 1.00 0.00 C ATOM 1269 O LYS B 951 8.561 1.141 6.813 1.00 0.00 O ATOM 1270 CB LYS B 951 10.196 3.866 5.964 1.00 0.00 C ATOM 1271 CG LYS B 951 11.105 4.524 4.939 1.00 0.00 C ATOM 1272 CD LYS B 951 11.928 3.495 4.182 1.00 0.00 C ATOM 1273 CE LYS B 951 12.959 4.158 3.283 1.00 0.00 C ATOM 1274 NZ LYS B 951 14.232 3.387 3.235 1.00 0.00 N ATOM 0 H LYS B 951 8.504 4.704 4.380 1.00 0.00 H new ATOM 0 HA LYS B 951 9.632 2.173 4.767 1.00 0.00 H new ATOM 0 HB2 LYS B 951 9.700 4.641 6.548 1.00 0.00 H new ATOM 0 HB3 LYS B 951 10.804 3.285 6.657 1.00 0.00 H new ATOM 0 HG2 LYS B 951 10.504 5.100 4.235 1.00 0.00 H new ATOM 0 HG3 LYS B 951 11.771 5.227 5.440 1.00 0.00 H new ATOM 0 HD2 LYS B 951 12.431 2.837 4.891 1.00 0.00 H new ATOM 0 HD3 LYS B 951 11.268 2.870 3.581 1.00 0.00 H new ATOM 0 HE2 LYS B 951 12.554 4.253 2.275 1.00 0.00 H new ATOM 0 HE3 LYS B 951 13.159 5.167 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 951 14.908 3.872 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 951 14.632 3.317 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS B 951 14.046 2.432 2.867 1.00 0.00 H new ATOM 1288 N ALA B 952 7.335 3.021 6.968 1.00 0.00 N ATOM 1289 CA ALA B 952 6.477 2.504 8.027 1.00 0.00 C ATOM 1290 C ALA B 952 5.525 1.439 7.492 1.00 0.00 C ATOM 1291 O ALA B 952 5.345 0.387 8.106 1.00 0.00 O ATOM 1292 CB ALA B 952 5.694 3.637 8.673 1.00 0.00 C ATOM 0 H ALA B 952 7.116 3.973 6.675 1.00 0.00 H new ATOM 0 HA ALA B 952 7.113 2.040 8.781 1.00 0.00 H new ATOM 0 HB1 ALA B 952 5.058 3.236 9.462 1.00 0.00 H new ATOM 0 HB2 ALA B 952 6.388 4.362 9.099 1.00 0.00 H new ATOM 0 HB3 ALA B 952 5.075 4.126 7.921 1.00 0.00 H new ATOM 1298 N LEU B 953 4.917 1.720 6.343 1.00 0.00 N ATOM 1299 CA LEU B 953 3.983 0.785 5.725 1.00 0.00 C ATOM 1300 C LEU B 953 4.700 -0.481 5.267 1.00 0.00 C ATOM 1301 O LEU B 953 4.181 -1.588 5.416 1.00 0.00 O ATOM 1302 CB LEU B 953 3.280 1.447 4.538 1.00 0.00 C ATOM 1303 CG LEU B 953 2.057 0.696 4.009 1.00 0.00 C ATOM 1304 CD1 LEU B 953 1.022 1.673 3.470 1.00 0.00 C ATOM 1305 CD2 LEU B 953 2.467 -0.299 2.934 1.00 0.00 C ATOM 0 H LEU B 953 5.054 2.586 5.822 1.00 0.00 H new ATOM 0 HA LEU B 953 3.239 0.507 6.471 1.00 0.00 H new ATOM 0 HB2 LEU B 953 2.972 2.451 4.831 1.00 0.00 H new ATOM 0 HB3 LEU B 953 3.998 1.558 3.726 1.00 0.00 H new ATOM 0 HG LEU B 953 1.608 0.143 4.834 1.00 0.00 H new ATOM 0 HD11 LEU B 953 0.159 1.121 3.098 1.00 0.00 H new ATOM 0 HD12 LEU B 953 0.706 2.345 4.268 1.00 0.00 H new ATOM 0 HD13 LEU B 953 1.459 2.254 2.658 1.00 0.00 H new ATOM 0 HD21 LEU B 953 1.585 -0.824 2.569 1.00 0.00 H new ATOM 0 HD22 LEU B 953 2.941 0.232 2.108 1.00 0.00 H new ATOM 0 HD23 LEU B 953 3.170 -1.019 3.353 1.00 0.00 H new ATOM 1317 N GLU B 954 5.894 -0.312 4.710 1.00 0.00 N ATOM 1318 CA GLU B 954 6.681 -1.442 4.230 1.00 0.00 C ATOM 1319 C GLU B 954 7.118 -2.333 5.389 1.00 0.00 C ATOM 1320 O GLU B 954 7.114 -3.559 5.277 1.00 0.00 O ATOM 1321 CB GLU B 954 7.909 -0.947 3.463 1.00 0.00 C ATOM 1322 CG GLU B 954 7.582 -0.378 2.092 1.00 0.00 C ATOM 1323 CD GLU B 954 8.804 0.170 1.382 1.00 0.00 C ATOM 1324 OE1 GLU B 954 9.268 1.265 1.759 1.00 0.00 O ATOM 1325 OE2 GLU B 954 9.298 -0.498 0.449 1.00 0.00 O ATOM 0 H GLU B 954 6.338 0.597 4.580 1.00 0.00 H new ATOM 0 HA GLU B 954 6.054 -2.029 3.559 1.00 0.00 H new ATOM 0 HB2 GLU B 954 8.412 -0.182 4.054 1.00 0.00 H new ATOM 0 HB3 GLU B 954 8.611 -1.772 3.346 1.00 0.00 H new ATOM 0 HG2 GLU B 954 7.128 -1.156 1.478 1.00 0.00 H new ATOM 0 HG3 GLU B 954 6.842 0.415 2.199 1.00 0.00 H new ATOM 1332 N ALA B 955 7.493 -1.708 6.499 1.00 0.00 N ATOM 1333 CA ALA B 955 7.934 -2.444 7.678 1.00 0.00 C ATOM 1334 C ALA B 955 6.773 -3.191 8.328 1.00 0.00 C ATOM 1335 O ALA B 955 6.955 -4.269 8.895 1.00 0.00 O ATOM 1336 CB ALA B 955 8.580 -1.498 8.679 1.00 0.00 C ATOM 0 H ALA B 955 7.501 -0.694 6.607 1.00 0.00 H new ATOM 0 HA ALA B 955 8.672 -3.180 7.360 1.00 0.00 H new ATOM 0 HB1 ALA B 955 8.905 -2.061 9.554 1.00 0.00 H new ATOM 0 HB2 ALA B 955 9.441 -1.014 8.219 1.00 0.00 H new ATOM 0 HB3 ALA B 955 7.857 -0.740 8.982 1.00 0.00 H new ATOM 1342 N GLU B 956 5.581 -2.611 8.242 1.00 0.00 N ATOM 1343 CA GLU B 956 4.391 -3.222 8.824 1.00 0.00 C ATOM 1344 C GLU B 956 4.063 -4.542 8.134 1.00 0.00 C ATOM 1345 O GLU B 956 3.844 -5.560 8.792 1.00 0.00 O ATOM 1346 CB GLU B 956 3.199 -2.269 8.720 1.00 0.00 C ATOM 1347 CG GLU B 956 2.084 -2.580 9.705 1.00 0.00 C ATOM 1348 CD GLU B 956 2.417 -2.143 11.119 1.00 0.00 C ATOM 1349 OE1 GLU B 956 3.254 -1.230 11.276 1.00 0.00 O ATOM 1350 OE2 GLU B 956 1.840 -2.713 12.068 1.00 0.00 O ATOM 0 H GLU B 956 5.413 -1.720 7.776 1.00 0.00 H new ATOM 0 HA GLU B 956 4.595 -3.424 9.876 1.00 0.00 H new ATOM 0 HB2 GLU B 956 3.545 -1.249 8.886 1.00 0.00 H new ATOM 0 HB3 GLU B 956 2.799 -2.310 7.707 1.00 0.00 H new ATOM 0 HG2 GLU B 956 1.169 -2.084 9.381 1.00 0.00 H new ATOM 0 HG3 GLU B 956 1.885 -3.652 9.697 1.00 0.00 H new ATOM 1357 N LEU B 957 4.028 -4.520 6.805 1.00 0.00 N ATOM 1358 CA LEU B 957 3.726 -5.717 6.028 1.00 0.00 C ATOM 1359 C LEU B 957 4.868 -6.727 6.114 1.00 0.00 C ATOM 1360 O LEU B 957 4.652 -7.934 6.003 1.00 0.00 O ATOM 1361 CB LEU B 957 3.456 -5.349 4.567 1.00 0.00 C ATOM 1362 CG LEU B 957 1.977 -5.250 4.187 1.00 0.00 C ATOM 1363 CD1 LEU B 957 1.811 -4.486 2.883 1.00 0.00 C ATOM 1364 CD2 LEU B 957 1.362 -6.638 4.074 1.00 0.00 C ATOM 0 H LEU B 957 4.205 -3.687 6.244 1.00 0.00 H new ATOM 0 HA LEU B 957 2.831 -6.176 6.448 1.00 0.00 H new ATOM 0 HB2 LEU B 957 3.935 -4.393 4.354 1.00 0.00 H new ATOM 0 HB3 LEU B 957 3.931 -6.093 3.927 1.00 0.00 H new ATOM 0 HG LEU B 957 1.455 -4.705 4.974 1.00 0.00 H new ATOM 0 HD11 LEU B 957 0.753 -4.426 2.629 1.00 0.00 H new ATOM 0 HD12 LEU B 957 2.215 -3.480 2.997 1.00 0.00 H new ATOM 0 HD13 LEU B 957 2.346 -5.004 2.087 1.00 0.00 H new ATOM 0 HD21 LEU B 957 0.310 -6.549 3.803 1.00 0.00 H new ATOM 0 HD22 LEU B 957 1.887 -7.207 3.307 1.00 0.00 H new ATOM 0 HD23 LEU B 957 1.448 -7.153 5.031 1.00 0.00 H new ATOM 1376 N ASN B 958 6.083 -6.225 6.310 1.00 0.00 N ATOM 1377 CA ASN B 958 7.260 -7.082 6.410 1.00 0.00 C ATOM 1378 C ASN B 958 7.171 -8.013 7.620 1.00 0.00 C ATOM 1379 O ASN B 958 7.905 -8.997 7.707 1.00 0.00 O ATOM 1380 CB ASN B 958 8.527 -6.230 6.503 1.00 0.00 C ATOM 1381 CG ASN B 958 9.791 -7.062 6.404 1.00 0.00 C ATOM 1382 OD1 ASN B 958 10.472 -7.299 7.401 1.00 0.00 O ATOM 1383 ND2 ASN B 958 10.111 -7.510 5.196 1.00 0.00 N ATOM 0 H ASN B 958 6.279 -5.228 6.403 1.00 0.00 H new ATOM 0 HA ASN B 958 7.302 -7.697 5.511 1.00 0.00 H new ATOM 0 HB2 ASN B 958 8.521 -5.487 5.706 1.00 0.00 H new ATOM 0 HB3 ASN B 958 8.527 -5.685 7.447 1.00 0.00 H new ATOM 0 HD21 ASN B 958 10.951 -8.075 5.067 1.00 0.00 H new ATOM 0 HD22 ASN B 958 9.517 -7.289 4.396 1.00 0.00 H new ATOM 1390 N ASP B 959 6.274 -7.697 8.550 1.00 0.00 N ATOM 1391 CA ASP B 959 6.104 -8.508 9.751 1.00 0.00 C ATOM 1392 C ASP B 959 5.524 -9.878 9.411 1.00 0.00 C ATOM 1393 O ASP B 959 5.834 -10.872 10.068 1.00 0.00 O ATOM 1394 CB ASP B 959 5.193 -7.791 10.749 1.00 0.00 C ATOM 1395 CG ASP B 959 5.123 -8.506 12.085 1.00 0.00 C ATOM 1396 OD1 ASP B 959 6.019 -8.285 12.925 1.00 0.00 O ATOM 1397 OD2 ASP B 959 4.172 -9.289 12.289 1.00 0.00 O ATOM 0 H ASP B 959 5.656 -6.888 8.495 1.00 0.00 H new ATOM 0 HA ASP B 959 7.086 -8.653 10.201 1.00 0.00 H new ATOM 0 HB2 ASP B 959 5.556 -6.775 10.903 1.00 0.00 H new ATOM 0 HB3 ASP B 959 4.190 -7.712 10.329 1.00 0.00 H new ATOM 1402 N LEU B 960 4.682 -9.925 8.384 1.00 0.00 N ATOM 1403 CA LEU B 960 4.063 -11.177 7.962 1.00 0.00 C ATOM 1404 C LEU B 960 5.122 -12.208 7.585 1.00 0.00 C ATOM 1405 O LEU B 960 4.947 -13.405 7.812 1.00 0.00 O ATOM 1406 CB LEU B 960 3.127 -10.937 6.775 1.00 0.00 C ATOM 1407 CG LEU B 960 2.038 -9.887 7.009 1.00 0.00 C ATOM 1408 CD1 LEU B 960 1.906 -8.972 5.800 1.00 0.00 C ATOM 1409 CD2 LEU B 960 0.706 -10.558 7.321 1.00 0.00 C ATOM 0 H LEU B 960 4.413 -9.113 7.829 1.00 0.00 H new ATOM 0 HA LEU B 960 3.484 -11.564 8.800 1.00 0.00 H new ATOM 0 HB2 LEU B 960 3.725 -10.632 5.916 1.00 0.00 H new ATOM 0 HB3 LEU B 960 2.649 -11.881 6.512 1.00 0.00 H new ATOM 0 HG LEU B 960 2.326 -9.280 7.867 1.00 0.00 H new ATOM 0 HD11 LEU B 960 1.127 -8.233 5.986 1.00 0.00 H new ATOM 0 HD12 LEU B 960 2.854 -8.463 5.623 1.00 0.00 H new ATOM 0 HD13 LEU B 960 1.643 -9.563 4.923 1.00 0.00 H new ATOM 0 HD21 LEU B 960 -0.056 -9.796 7.484 1.00 0.00 H new ATOM 0 HD22 LEU B 960 0.412 -11.191 6.484 1.00 0.00 H new ATOM 0 HD23 LEU B 960 0.807 -11.168 8.219 1.00 0.00 H new ATOM 1421 N MET B 961 6.220 -11.733 7.008 1.00 0.00 N ATOM 1422 CA MET B 961 7.310 -12.612 6.599 1.00 0.00 C ATOM 1423 C MET B 961 7.871 -13.378 7.793 1.00 0.00 C ATOM 1424 O MET B 961 8.060 -14.606 7.672 1.00 0.00 O ATOM 1425 CB MET B 961 8.422 -11.801 5.928 1.00 0.00 C ATOM 1426 CG MET B 961 9.007 -12.473 4.697 1.00 0.00 C ATOM 1427 SD MET B 961 10.602 -13.248 5.018 1.00 0.00 S ATOM 1428 CE MET B 961 11.358 -13.150 3.398 1.00 0.00 C ATOM 1429 OXT MET B 961 8.117 -12.742 8.839 1.00 0.00 O ATOM 0 H MET B 961 6.379 -10.745 6.813 1.00 0.00 H new ATOM 0 HA MET B 961 6.913 -13.333 5.884 1.00 0.00 H new ATOM 0 HB2 MET B 961 8.028 -10.824 5.646 1.00 0.00 H new ATOM 0 HB3 MET B 961 9.220 -11.627 6.650 1.00 0.00 H new ATOM 0 HG2 MET B 961 8.308 -13.226 4.333 1.00 0.00 H new ATOM 0 HG3 MET B 961 9.120 -11.734 3.904 1.00 0.00 H new ATOM 0 HE1 MET B 961 12.354 -13.591 3.434 1.00 0.00 H new ATOM 0 HE2 MET B 961 10.747 -13.693 2.678 1.00 0.00 H new ATOM 0 HE3 MET B 961 11.434 -12.106 3.095 1.00 0.00 H new TER 1439 MET B 961