USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 539 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 Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 457 SER OG : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 460 SER OG : rot 67:sc= 1.13 USER MOD Single : A 466 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.48) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 MET CE :methyl -126:sc= 0 (180deg=-1.08) USER MOD Single : A 477 HIS : no HE2:sc= -0.651 K(o=-0.65,f=-2.3) USER MOD Single : A 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 489 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 ASN : amide:sc= -0.636 K(o=-0.64,f=-3.8!) USER MOD Single : A 504 SER OG : rot -170:sc= -0.0132 USER MOD Single : A 507 THR OG1 : rot 160:sc= -0.0194 USER MOD Single : A 508 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HE2:sc= -0.365 K(o=-0.37,f=-4.2!) USER MOD Single : A 512 LYS NZ :NH3+ -128:sc= 0.424 (180deg=-1.27!) USER MOD Single : A 519 GLN : amide:sc= -5.41! C(o=-5.4!,f=-5.5!) USER MOD Single : A 521 CYS SG : rot 170:sc= 0 USER MOD Single : A 522 SER OG : rot -59:sc= 0.0295 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 455 -12.744 37.391 4.464 1.00 0.00 N ATOM 2 CA GLY A 455 -13.522 37.409 3.239 1.00 0.00 C ATOM 3 C GLY A 455 -14.944 36.928 3.448 1.00 0.00 C ATOM 4 O GLY A 455 -15.471 36.991 4.559 1.00 0.00 O ATOM 0 HA2 GLY A 455 -13.540 38.423 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 455 -13.035 36.780 2.494 1.00 0.00 H new ATOM 8 N SER A 456 -15.568 36.448 2.377 1.00 0.00 N ATOM 9 CA SER A 456 -16.940 35.959 2.447 1.00 0.00 C ATOM 10 C SER A 456 -17.121 34.722 1.573 1.00 0.00 C ATOM 11 O SER A 456 -16.435 34.555 0.564 1.00 0.00 O ATOM 12 CB SER A 456 -17.916 37.053 2.011 1.00 0.00 C ATOM 13 OG SER A 456 -17.737 38.232 2.776 1.00 0.00 O ATOM 0 H SER A 456 -15.145 36.387 1.451 1.00 0.00 H new ATOM 0 HA SER A 456 -17.150 35.686 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 456 -17.769 37.276 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 456 -18.940 36.696 2.122 1.00 0.00 H new ATOM 0 HG SER A 456 -18.372 38.916 2.476 1.00 0.00 H new ATOM 19 N SER A 457 -18.050 33.857 1.967 1.00 0.00 N ATOM 20 CA SER A 457 -18.320 32.632 1.223 1.00 0.00 C ATOM 21 C SER A 457 -18.417 32.916 -0.273 1.00 0.00 C ATOM 22 O SER A 457 -18.518 34.068 -0.693 1.00 0.00 O ATOM 23 CB SER A 457 -19.616 31.986 1.715 1.00 0.00 C ATOM 24 OG SER A 457 -20.700 32.896 1.641 1.00 0.00 O ATOM 0 H SER A 457 -18.629 33.982 2.798 1.00 0.00 H new ATOM 0 HA SER A 457 -17.492 31.943 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 457 -19.837 31.103 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 457 -19.490 31.649 2.744 1.00 0.00 H new ATOM 0 HG SER A 457 -21.517 32.458 1.959 1.00 0.00 H new ATOM 30 N GLY A 458 -18.385 31.855 -1.074 1.00 0.00 N ATOM 31 CA GLY A 458 -18.470 32.010 -2.515 1.00 0.00 C ATOM 32 C GLY A 458 -17.201 31.575 -3.220 1.00 0.00 C ATOM 33 O GLY A 458 -17.234 30.703 -4.089 1.00 0.00 O ATOM 0 H GLY A 458 -18.302 30.891 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 458 -19.310 31.426 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 458 -18.675 33.054 -2.754 1.00 0.00 H new ATOM 37 N SER A 459 -16.080 32.184 -2.848 1.00 0.00 N ATOM 38 CA SER A 459 -14.795 31.858 -3.456 1.00 0.00 C ATOM 39 C SER A 459 -14.443 30.391 -3.227 1.00 0.00 C ATOM 40 O SER A 459 -14.529 29.888 -2.107 1.00 0.00 O ATOM 41 CB SER A 459 -13.695 32.754 -2.884 1.00 0.00 C ATOM 42 OG SER A 459 -12.548 32.747 -3.716 1.00 0.00 O ATOM 0 H SER A 459 -16.035 32.906 -2.129 1.00 0.00 H new ATOM 0 HA SER A 459 -14.873 32.032 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 459 -14.068 33.773 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 459 -13.426 32.412 -1.885 1.00 0.00 H new ATOM 0 HG SER A 459 -11.860 33.328 -3.330 1.00 0.00 H new ATOM 48 N SER A 460 -14.045 29.711 -4.298 1.00 0.00 N ATOM 49 CA SER A 460 -13.683 28.301 -4.216 1.00 0.00 C ATOM 50 C SER A 460 -14.709 27.523 -3.397 1.00 0.00 C ATOM 51 O SER A 460 -14.353 26.672 -2.583 1.00 0.00 O ATOM 52 CB SER A 460 -12.293 28.144 -3.595 1.00 0.00 C ATOM 53 OG SER A 460 -12.368 28.112 -2.180 1.00 0.00 O ATOM 0 H SER A 460 -13.965 30.114 -5.232 1.00 0.00 H new ATOM 0 HA SER A 460 -13.669 27.896 -5.228 1.00 0.00 H new ATOM 0 HB2 SER A 460 -11.830 27.227 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 460 -11.655 28.970 -3.910 1.00 0.00 H new ATOM 0 HG SER A 460 -12.835 27.299 -1.895 1.00 0.00 H new ATOM 59 N GLY A 461 -15.985 27.822 -3.620 1.00 0.00 N ATOM 60 CA GLY A 461 -17.044 27.143 -2.896 1.00 0.00 C ATOM 61 C GLY A 461 -17.923 26.307 -3.805 1.00 0.00 C ATOM 62 O GLY A 461 -18.337 25.208 -3.437 1.00 0.00 O ATOM 0 H GLY A 461 -16.304 28.522 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -16.605 26.503 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -17.658 27.881 -2.380 1.00 0.00 H new ATOM 66 N GLU A 462 -18.209 26.828 -4.993 1.00 0.00 N ATOM 67 CA GLU A 462 -19.047 26.122 -5.955 1.00 0.00 C ATOM 68 C GLU A 462 -18.265 25.006 -6.642 1.00 0.00 C ATOM 69 O GLU A 462 -18.777 23.904 -6.839 1.00 0.00 O ATOM 70 CB GLU A 462 -19.594 27.096 -7.001 1.00 0.00 C ATOM 71 CG GLU A 462 -20.488 28.177 -6.418 1.00 0.00 C ATOM 72 CD GLU A 462 -21.936 27.743 -6.313 1.00 0.00 C ATOM 73 OE1 GLU A 462 -22.405 27.018 -7.216 1.00 0.00 O ATOM 74 OE2 GLU A 462 -22.602 28.127 -5.329 1.00 0.00 O ATOM 0 H GLU A 462 -17.873 27.736 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 462 -19.881 25.677 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 462 -18.758 27.567 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 462 -20.156 26.536 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 462 -20.122 28.451 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 462 -20.425 29.070 -7.040 1.00 0.00 H new ATOM 81 N PHE A 463 -17.021 25.301 -7.005 1.00 0.00 N ATOM 82 CA PHE A 463 -16.168 24.324 -7.672 1.00 0.00 C ATOM 83 C PHE A 463 -15.067 23.835 -6.735 1.00 0.00 C ATOM 84 O PHE A 463 -13.924 24.290 -6.788 1.00 0.00 O ATOM 85 CB PHE A 463 -15.548 24.932 -8.932 1.00 0.00 C ATOM 86 CG PHE A 463 -16.507 25.774 -9.724 1.00 0.00 C ATOM 87 CD1 PHE A 463 -16.631 27.131 -9.471 1.00 0.00 C ATOM 88 CD2 PHE A 463 -17.283 25.210 -10.724 1.00 0.00 C ATOM 89 CE1 PHE A 463 -17.513 27.908 -10.198 1.00 0.00 C ATOM 90 CE2 PHE A 463 -18.166 25.981 -11.455 1.00 0.00 C ATOM 91 CZ PHE A 463 -18.280 27.333 -11.192 1.00 0.00 C ATOM 0 H PHE A 463 -16.581 26.208 -6.849 1.00 0.00 H new ATOM 0 HA PHE A 463 -16.786 23.472 -7.955 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -14.690 25.542 -8.648 1.00 0.00 H new ATOM 0 HB3 PHE A 463 -15.172 24.129 -9.566 1.00 0.00 H new ATOM 0 HD1 PHE A 463 -16.031 27.587 -8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 463 -17.196 24.154 -10.935 1.00 0.00 H new ATOM 0 HE1 PHE A 463 -17.602 28.964 -9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 463 -18.766 25.528 -12.230 1.00 0.00 H new ATOM 0 HZ PHE A 463 -18.968 27.939 -11.763 1.00 0.00 H new ATOM 101 N PRO A 464 -15.418 22.885 -5.856 1.00 0.00 N ATOM 102 CA PRO A 464 -14.475 22.312 -4.891 1.00 0.00 C ATOM 103 C PRO A 464 -13.417 21.441 -5.560 1.00 0.00 C ATOM 104 O PRO A 464 -13.720 20.360 -6.066 1.00 0.00 O ATOM 105 CB PRO A 464 -15.368 21.465 -3.981 1.00 0.00 C ATOM 106 CG PRO A 464 -16.548 21.120 -4.824 1.00 0.00 C ATOM 107 CD PRO A 464 -16.762 22.295 -5.737 1.00 0.00 C ATOM 0 HA PRO A 464 -13.915 23.083 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -14.849 20.569 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -15.666 22.019 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -16.367 20.210 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -17.429 20.939 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -17.152 21.985 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -17.476 23.004 -5.318 1.00 0.00 H new ATOM 115 N ALA A 465 -12.177 21.917 -5.558 1.00 0.00 N ATOM 116 CA ALA A 465 -11.075 21.179 -6.163 1.00 0.00 C ATOM 117 C ALA A 465 -10.580 20.074 -5.237 1.00 0.00 C ATOM 118 O ALA A 465 -10.248 20.325 -4.079 1.00 0.00 O ATOM 119 CB ALA A 465 -9.936 22.126 -6.514 1.00 0.00 C ATOM 0 H ALA A 465 -11.910 22.810 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 465 -11.441 20.713 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -9.120 21.562 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -10.291 22.877 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -9.580 22.618 -5.609 1.00 0.00 H new ATOM 125 N GLN A 466 -10.535 18.850 -5.755 1.00 0.00 N ATOM 126 CA GLN A 466 -10.082 17.706 -4.973 1.00 0.00 C ATOM 127 C GLN A 466 -8.682 17.276 -5.398 1.00 0.00 C ATOM 128 O GLN A 466 -8.520 16.321 -6.156 1.00 0.00 O ATOM 129 CB GLN A 466 -11.057 16.538 -5.128 1.00 0.00 C ATOM 130 CG GLN A 466 -12.354 16.721 -4.356 1.00 0.00 C ATOM 131 CD GLN A 466 -12.122 17.046 -2.894 1.00 0.00 C ATOM 132 OE1 GLN A 466 -12.121 18.212 -2.498 1.00 0.00 O ATOM 133 NE2 GLN A 466 -11.924 16.014 -2.082 1.00 0.00 N ATOM 0 H GLN A 466 -10.807 18.626 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 466 -10.047 18.004 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -11.289 16.407 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -10.570 15.622 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -12.935 17.521 -4.814 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -12.949 15.811 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -11.933 15.064 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -11.763 16.171 -1.087 1.00 0.00 H new ATOM 142 N GLU A 467 -7.674 17.988 -4.904 1.00 0.00 N ATOM 143 CA GLU A 467 -6.288 17.679 -5.234 1.00 0.00 C ATOM 144 C GLU A 467 -5.716 16.643 -4.271 1.00 0.00 C ATOM 145 O GLU A 467 -5.147 16.990 -3.234 1.00 0.00 O ATOM 146 CB GLU A 467 -5.436 18.950 -5.198 1.00 0.00 C ATOM 147 CG GLU A 467 -5.773 19.940 -6.300 1.00 0.00 C ATOM 148 CD GLU A 467 -5.054 19.635 -7.599 1.00 0.00 C ATOM 149 OE1 GLU A 467 -3.901 20.089 -7.759 1.00 0.00 O ATOM 150 OE2 GLU A 467 -5.642 18.942 -8.455 1.00 0.00 O ATOM 0 H GLU A 467 -7.791 18.782 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 467 -6.266 17.264 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -5.566 19.437 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -4.384 18.675 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -6.849 19.931 -6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -5.511 20.946 -5.972 1.00 0.00 H new ATOM 157 N LEU A 468 -5.872 15.371 -4.619 1.00 0.00 N ATOM 158 CA LEU A 468 -5.373 14.283 -3.785 1.00 0.00 C ATOM 159 C LEU A 468 -3.850 14.307 -3.712 1.00 0.00 C ATOM 160 O LEU A 468 -3.178 14.681 -4.675 1.00 0.00 O ATOM 161 CB LEU A 468 -5.847 12.935 -4.333 1.00 0.00 C ATOM 162 CG LEU A 468 -7.361 12.727 -4.384 1.00 0.00 C ATOM 163 CD1 LEU A 468 -7.929 13.259 -5.691 1.00 0.00 C ATOM 164 CD2 LEU A 468 -7.703 11.254 -4.212 1.00 0.00 C ATOM 0 H LEU A 468 -6.340 15.067 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 468 -5.769 14.419 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -5.450 12.815 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -5.412 12.144 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 468 -7.813 13.283 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -9.008 13.102 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -7.716 14.325 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -7.471 12.732 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -8.785 11.125 -4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -7.240 10.677 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -7.330 10.904 -3.249 1.00 0.00 H new ATOM 176 N ARG A 469 -3.310 13.906 -2.566 1.00 0.00 N ATOM 177 CA ARG A 469 -1.866 13.881 -2.369 1.00 0.00 C ATOM 178 C ARG A 469 -1.320 12.464 -2.525 1.00 0.00 C ATOM 179 O ARG A 469 -2.052 11.485 -2.378 1.00 0.00 O ATOM 180 CB ARG A 469 -1.510 14.426 -0.984 1.00 0.00 C ATOM 181 CG ARG A 469 -1.497 15.944 -0.912 1.00 0.00 C ATOM 182 CD ARG A 469 -0.853 16.435 0.375 1.00 0.00 C ATOM 183 NE ARG A 469 -0.278 17.769 0.225 1.00 0.00 N ATOM 184 CZ ARG A 469 -0.983 18.890 0.336 1.00 0.00 C ATOM 185 NH1 ARG A 469 -2.282 18.837 0.597 1.00 0.00 N ATOM 186 NH2 ARG A 469 -0.388 20.067 0.186 1.00 0.00 N ATOM 0 H ARG A 469 -3.851 13.594 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 469 -1.410 14.514 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -2.226 14.042 -0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -0.529 14.049 -0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -0.954 16.345 -1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -2.518 16.321 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -1.598 16.449 1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -0.074 15.737 0.680 1.00 0.00 H new ATOM 0 HE ARG A 469 0.719 17.844 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -2.742 17.934 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -2.821 19.699 0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 469 0.611 20.112 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -0.930 20.927 0.271 1.00 0.00 H new ATOM 200 N LYS A 470 -0.030 12.363 -2.825 1.00 0.00 N ATOM 201 CA LYS A 470 0.616 11.068 -3.002 1.00 0.00 C ATOM 202 C LYS A 470 0.927 10.427 -1.653 1.00 0.00 C ATOM 203 O LYS A 470 2.046 10.529 -1.150 1.00 0.00 O ATOM 204 CB LYS A 470 1.904 11.223 -3.814 1.00 0.00 C ATOM 205 CG LYS A 470 2.639 12.525 -3.545 1.00 0.00 C ATOM 206 CD LYS A 470 4.107 12.425 -3.924 1.00 0.00 C ATOM 207 CE LYS A 470 4.929 13.519 -3.261 1.00 0.00 C ATOM 208 NZ LYS A 470 4.639 14.860 -3.839 1.00 0.00 N ATOM 0 H LYS A 470 0.590 13.163 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 470 -0.071 10.418 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 470 2.568 10.388 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 470 1.664 11.164 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 470 2.171 13.332 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 470 2.551 12.782 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 470 4.494 11.449 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 470 4.210 12.496 -5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 470 4.720 13.532 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 470 5.990 13.296 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 5.220 15.578 -3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 4.862 14.856 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 3.632 15.085 -3.707 1.00 0.00 H new ATOM 222 N TYR A 471 -0.069 9.765 -1.074 1.00 0.00 N ATOM 223 CA TYR A 471 0.098 9.108 0.217 1.00 0.00 C ATOM 224 C TYR A 471 -0.477 7.695 0.187 1.00 0.00 C ATOM 225 O TYR A 471 -1.483 7.435 -0.473 1.00 0.00 O ATOM 226 CB TYR A 471 -0.579 9.924 1.319 1.00 0.00 C ATOM 227 CG TYR A 471 0.315 10.980 1.927 1.00 0.00 C ATOM 228 CD1 TYR A 471 1.525 10.638 2.519 1.00 0.00 C ATOM 229 CD2 TYR A 471 -0.049 12.321 1.908 1.00 0.00 C ATOM 230 CE1 TYR A 471 2.345 11.600 3.077 1.00 0.00 C ATOM 231 CE2 TYR A 471 0.765 13.290 2.462 1.00 0.00 C ATOM 232 CZ TYR A 471 1.961 12.925 3.045 1.00 0.00 C ATOM 233 OH TYR A 471 2.775 13.886 3.598 1.00 0.00 O ATOM 0 H TYR A 471 -1.000 9.669 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 471 1.165 9.042 0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 471 -1.468 10.404 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 471 -0.915 9.248 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 471 1.830 9.602 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 471 -0.984 12.611 1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 471 3.281 11.317 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 471 0.467 14.328 2.439 1.00 0.00 H new ATOM 0 HH TYR A 471 2.360 14.767 3.491 1.00 0.00 H new ATOM 243 N PHE A 472 0.170 6.786 0.909 1.00 0.00 N ATOM 244 CA PHE A 472 -0.276 5.398 0.967 1.00 0.00 C ATOM 245 C PHE A 472 -1.553 5.271 1.791 1.00 0.00 C ATOM 246 O PHE A 472 -1.511 5.228 3.021 1.00 0.00 O ATOM 247 CB PHE A 472 0.820 4.513 1.564 1.00 0.00 C ATOM 248 CG PHE A 472 2.199 4.855 1.077 1.00 0.00 C ATOM 249 CD1 PHE A 472 2.391 5.371 -0.195 1.00 0.00 C ATOM 250 CD2 PHE A 472 3.304 4.661 1.891 1.00 0.00 C ATOM 251 CE1 PHE A 472 3.659 5.687 -0.646 1.00 0.00 C ATOM 252 CE2 PHE A 472 4.574 4.976 1.446 1.00 0.00 C ATOM 253 CZ PHE A 472 4.752 5.489 0.175 1.00 0.00 C ATOM 0 H PHE A 472 1.004 6.985 1.462 1.00 0.00 H new ATOM 0 HA PHE A 472 -0.487 5.067 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 472 0.795 4.601 2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 472 0.606 3.472 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 472 1.540 5.528 -0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 472 3.171 4.259 2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 472 3.795 6.088 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 472 5.426 4.821 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 472 5.744 5.735 -0.175 1.00 0.00 H new ATOM 263 N LYS A 473 -2.690 5.212 1.104 1.00 0.00 N ATOM 264 CA LYS A 473 -3.981 5.090 1.770 1.00 0.00 C ATOM 265 C LYS A 473 -4.671 3.786 1.383 1.00 0.00 C ATOM 266 O LYS A 473 -4.661 3.390 0.218 1.00 0.00 O ATOM 267 CB LYS A 473 -4.877 6.278 1.414 1.00 0.00 C ATOM 268 CG LYS A 473 -4.334 7.614 1.893 1.00 0.00 C ATOM 269 CD LYS A 473 -5.170 8.773 1.376 1.00 0.00 C ATOM 270 CE LYS A 473 -4.421 10.092 1.485 1.00 0.00 C ATOM 271 NZ LYS A 473 -4.195 10.486 2.903 1.00 0.00 N ATOM 0 H LYS A 473 -2.743 5.247 0.086 1.00 0.00 H new ATOM 0 HA LYS A 473 -3.807 5.084 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -5.005 6.314 0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -5.865 6.120 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -4.319 7.632 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -3.303 7.730 1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -5.441 8.592 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -6.100 8.833 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -3.462 10.008 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -4.986 10.873 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -3.682 11.390 2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -5.111 10.591 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -3.634 9.753 3.382 1.00 0.00 H new ATOM 285 N MET A 474 -5.269 3.123 2.368 1.00 0.00 N ATOM 286 CA MET A 474 -5.967 1.865 2.128 1.00 0.00 C ATOM 287 C MET A 474 -6.683 1.888 0.782 1.00 0.00 C ATOM 288 O MET A 474 -7.370 2.853 0.450 1.00 0.00 O ATOM 289 CB MET A 474 -6.972 1.593 3.249 1.00 0.00 C ATOM 290 CG MET A 474 -7.574 0.198 3.200 1.00 0.00 C ATOM 291 SD MET A 474 -9.180 0.106 4.014 1.00 0.00 S ATOM 292 CE MET A 474 -8.692 0.162 5.736 1.00 0.00 C ATOM 0 H MET A 474 -5.284 3.436 3.339 1.00 0.00 H new ATOM 0 HA MET A 474 -5.227 1.065 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 474 -6.478 1.733 4.211 1.00 0.00 H new ATOM 0 HB3 MET A 474 -7.775 2.328 3.193 1.00 0.00 H new ATOM 0 HG2 MET A 474 -7.680 -0.112 2.160 1.00 0.00 H new ATOM 0 HG3 MET A 474 -6.890 -0.506 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 474 -9.119 -0.691 6.263 1.00 0.00 H new ATOM 0 HE2 MET A 474 -7.605 0.126 5.807 1.00 0.00 H new ATOM 0 HE3 MET A 474 -9.055 1.086 6.187 1.00 0.00 H new ATOM 302 N GLY A 475 -6.517 0.818 0.010 1.00 0.00 N ATOM 303 CA GLY A 475 -7.153 0.737 -1.292 1.00 0.00 C ATOM 304 C GLY A 475 -6.176 0.955 -2.430 1.00 0.00 C ATOM 305 O GLY A 475 -6.184 0.216 -3.415 1.00 0.00 O ATOM 0 H GLY A 475 -5.954 0.006 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 475 -7.623 -0.240 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 475 -7.947 1.481 -1.352 1.00 0.00 H new ATOM 309 N ASP A 476 -5.333 1.973 -2.296 1.00 0.00 N ATOM 310 CA ASP A 476 -4.345 2.287 -3.322 1.00 0.00 C ATOM 311 C ASP A 476 -3.292 1.188 -3.417 1.00 0.00 C ATOM 312 O ASP A 476 -3.055 0.455 -2.456 1.00 0.00 O ATOM 313 CB ASP A 476 -3.675 3.629 -3.021 1.00 0.00 C ATOM 314 CG ASP A 476 -4.532 4.810 -3.432 1.00 0.00 C ATOM 315 OD1 ASP A 476 -5.220 4.711 -4.470 1.00 0.00 O ATOM 316 OD2 ASP A 476 -4.516 5.832 -2.716 1.00 0.00 O ATOM 0 H ASP A 476 -5.314 2.595 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 476 -4.861 2.354 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 476 -3.461 3.693 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 476 -2.719 3.679 -3.542 1.00 0.00 H new ATOM 321 N HIS A 477 -2.662 1.078 -4.582 1.00 0.00 N ATOM 322 CA HIS A 477 -1.634 0.068 -4.803 1.00 0.00 C ATOM 323 C HIS A 477 -0.244 0.642 -4.546 1.00 0.00 C ATOM 324 O HIS A 477 0.140 1.654 -5.132 1.00 0.00 O ATOM 325 CB HIS A 477 -1.718 -0.473 -6.231 1.00 0.00 C ATOM 326 CG HIS A 477 -0.527 -1.287 -6.635 1.00 0.00 C ATOM 327 ND1 HIS A 477 0.208 -1.030 -7.773 1.00 0.00 N ATOM 328 CD2 HIS A 477 0.055 -2.356 -6.045 1.00 0.00 C ATOM 329 CE1 HIS A 477 1.191 -1.908 -7.865 1.00 0.00 C ATOM 330 NE2 HIS A 477 1.121 -2.724 -6.829 1.00 0.00 N ATOM 0 H HIS A 477 -2.846 1.676 -5.388 1.00 0.00 H new ATOM 0 HA HIS A 477 -1.807 -0.749 -4.102 1.00 0.00 H new ATOM 0 HB2 HIS A 477 -2.615 -1.085 -6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 477 -1.827 0.363 -6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 477 0.022 -0.280 -8.439 1.00 0.00 H new ATOM 0 HD2 HIS A 477 -0.260 -2.832 -5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 477 1.927 -1.951 -8.654 1.00 0.00 H new ATOM 338 N VAL A 478 0.507 -0.011 -3.664 1.00 0.00 N ATOM 339 CA VAL A 478 1.854 0.434 -3.329 1.00 0.00 C ATOM 340 C VAL A 478 2.892 -0.614 -3.717 1.00 0.00 C ATOM 341 O VAL A 478 2.562 -1.780 -3.933 1.00 0.00 O ATOM 342 CB VAL A 478 1.987 0.738 -1.825 1.00 0.00 C ATOM 343 CG1 VAL A 478 1.315 2.060 -1.487 1.00 0.00 C ATOM 344 CG2 VAL A 478 1.399 -0.395 -0.998 1.00 0.00 C ATOM 0 H VAL A 478 0.205 -0.850 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 478 2.035 1.348 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 478 3.046 0.823 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 478 1.419 2.259 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 478 1.787 2.863 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 478 0.257 2.007 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 478 1.502 -0.163 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 478 0.344 -0.514 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 478 1.930 -1.321 -1.220 1.00 0.00 H new ATOM 354 N LYS A 479 4.148 -0.190 -3.804 1.00 0.00 N ATOM 355 CA LYS A 479 5.236 -1.091 -4.165 1.00 0.00 C ATOM 356 C LYS A 479 6.439 -0.885 -3.250 1.00 0.00 C ATOM 357 O LYS A 479 6.679 0.220 -2.763 1.00 0.00 O ATOM 358 CB LYS A 479 5.647 -0.870 -5.623 1.00 0.00 C ATOM 359 CG LYS A 479 6.986 -1.492 -5.978 1.00 0.00 C ATOM 360 CD LYS A 479 7.268 -1.397 -7.468 1.00 0.00 C ATOM 361 CE LYS A 479 8.746 -1.590 -7.770 1.00 0.00 C ATOM 362 NZ LYS A 479 8.994 -1.779 -9.226 1.00 0.00 N ATOM 0 H LYS A 479 4.438 0.772 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 479 4.881 -2.115 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 479 4.879 -1.285 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 479 5.689 0.201 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 479 7.779 -0.990 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 479 6.995 -2.538 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 479 6.686 -2.151 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 479 6.944 -0.425 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 479 9.305 -0.724 -7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 479 9.119 -2.456 -7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 479 10.013 -1.907 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 479 8.481 -2.620 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 479 8.662 -0.942 -9.746 1.00 0.00 H new ATOM 376 N VAL A 480 7.194 -1.956 -3.021 1.00 0.00 N ATOM 377 CA VAL A 480 8.373 -1.891 -2.167 1.00 0.00 C ATOM 378 C VAL A 480 9.630 -1.617 -2.985 1.00 0.00 C ATOM 379 O VAL A 480 9.939 -2.344 -3.929 1.00 0.00 O ATOM 380 CB VAL A 480 8.565 -3.199 -1.375 1.00 0.00 C ATOM 381 CG1 VAL A 480 9.575 -3.002 -0.255 1.00 0.00 C ATOM 382 CG2 VAL A 480 7.234 -3.687 -0.824 1.00 0.00 C ATOM 0 H VAL A 480 7.009 -2.878 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 480 8.212 -1.071 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 480 8.954 -3.960 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 480 9.697 -3.936 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 480 10.533 -2.701 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 480 9.219 -2.227 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 480 7.388 -4.612 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 480 6.815 -2.930 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 480 6.544 -3.870 -1.648 1.00 0.00 H new ATOM 392 N ILE A 481 10.351 -0.563 -2.616 1.00 0.00 N ATOM 393 CA ILE A 481 11.575 -0.193 -3.315 1.00 0.00 C ATOM 394 C ILE A 481 12.809 -0.602 -2.517 1.00 0.00 C ATOM 395 O ILE A 481 13.872 -0.852 -3.083 1.00 0.00 O ATOM 396 CB ILE A 481 11.633 1.321 -3.587 1.00 0.00 C ATOM 397 CG1 ILE A 481 11.534 2.101 -2.275 1.00 0.00 C ATOM 398 CG2 ILE A 481 10.518 1.732 -4.538 1.00 0.00 C ATOM 399 CD1 ILE A 481 11.917 3.559 -2.408 1.00 0.00 C ATOM 0 H ILE A 481 10.108 0.049 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 481 11.567 -0.725 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 481 12.589 1.554 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 481 10.513 2.035 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 481 12.179 1.631 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 481 10.573 2.805 -4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 481 10.629 1.197 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 481 9.553 1.488 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 481 11.823 4.050 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 481 12.948 3.634 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 481 11.256 4.045 -3.126 1.00 0.00 H new ATOM 411 N ALA A 482 12.657 -0.671 -1.199 1.00 0.00 N ATOM 412 CA ALA A 482 13.758 -1.054 -0.322 1.00 0.00 C ATOM 413 C ALA A 482 13.259 -1.887 0.853 1.00 0.00 C ATOM 414 O ALA A 482 12.073 -2.200 0.946 1.00 0.00 O ATOM 415 CB ALA A 482 14.489 0.183 0.177 1.00 0.00 C ATOM 0 H ALA A 482 11.783 -0.467 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 482 14.453 -1.666 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 482 15.308 -0.117 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 482 14.887 0.738 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 482 13.796 0.816 0.731 1.00 0.00 H new ATOM 421 N GLY A 483 14.173 -2.243 1.751 1.00 0.00 N ATOM 422 CA GLY A 483 13.806 -3.037 2.908 1.00 0.00 C ATOM 423 C GLY A 483 14.050 -4.518 2.696 1.00 0.00 C ATOM 424 O GLY A 483 14.939 -4.906 1.939 1.00 0.00 O ATOM 0 H GLY A 483 15.161 -1.995 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 483 14.376 -2.698 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 483 12.753 -2.875 3.137 1.00 0.00 H new ATOM 428 N ARG A 484 13.259 -5.349 3.369 1.00 0.00 N ATOM 429 CA ARG A 484 13.395 -6.796 3.252 1.00 0.00 C ATOM 430 C ARG A 484 12.552 -7.330 2.098 1.00 0.00 C ATOM 431 O ARG A 484 12.837 -8.394 1.548 1.00 0.00 O ATOM 432 CB ARG A 484 12.980 -7.475 4.558 1.00 0.00 C ATOM 433 CG ARG A 484 13.219 -8.976 4.567 1.00 0.00 C ATOM 434 CD ARG A 484 14.677 -9.307 4.848 1.00 0.00 C ATOM 435 NE ARG A 484 14.983 -10.708 4.573 1.00 0.00 N ATOM 436 CZ ARG A 484 15.103 -11.207 3.347 1.00 0.00 C ATOM 437 NH1 ARG A 484 14.943 -10.423 2.290 1.00 0.00 N ATOM 438 NH2 ARG A 484 15.384 -12.493 3.178 1.00 0.00 N ATOM 0 H ARG A 484 12.518 -5.045 4.000 1.00 0.00 H new ATOM 0 HA ARG A 484 14.442 -7.022 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 484 13.530 -7.023 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 484 11.922 -7.283 4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 484 12.587 -9.442 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 484 12.928 -9.398 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 484 15.317 -8.670 4.238 1.00 0.00 H new ATOM 0 HD3 ARG A 484 14.905 -9.084 5.890 1.00 0.00 H new ATOM 0 HE ARG A 484 15.112 -11.338 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 484 14.727 -9.434 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 484 15.036 -10.809 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 484 15.508 -13.099 3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 484 15.476 -12.876 2.237 1.00 0.00 H new ATOM 452 N PHE A 485 11.513 -6.584 1.736 1.00 0.00 N ATOM 453 CA PHE A 485 10.628 -6.984 0.649 1.00 0.00 C ATOM 454 C PHE A 485 10.887 -6.145 -0.600 1.00 0.00 C ATOM 455 O PHE A 485 9.956 -5.766 -1.309 1.00 0.00 O ATOM 456 CB PHE A 485 9.165 -6.843 1.076 1.00 0.00 C ATOM 457 CG PHE A 485 8.842 -7.567 2.352 1.00 0.00 C ATOM 458 CD1 PHE A 485 8.459 -8.898 2.331 1.00 0.00 C ATOM 459 CD2 PHE A 485 8.921 -6.916 3.572 1.00 0.00 C ATOM 460 CE1 PHE A 485 8.160 -9.566 3.504 1.00 0.00 C ATOM 461 CE2 PHE A 485 8.623 -7.578 4.748 1.00 0.00 C ATOM 462 CZ PHE A 485 8.243 -8.905 4.714 1.00 0.00 C ATOM 0 H PHE A 485 11.264 -5.700 2.179 1.00 0.00 H new ATOM 0 HA PHE A 485 10.832 -8.028 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 485 8.930 -5.786 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 485 8.524 -7.222 0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 485 8.393 -9.420 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 485 9.219 -5.878 3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 485 7.862 -10.604 3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 485 8.687 -7.058 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 485 8.011 -9.425 5.632 1.00 0.00 H new ATOM 472 N GLU A 486 12.159 -5.860 -0.860 1.00 0.00 N ATOM 473 CA GLU A 486 12.541 -5.066 -2.022 1.00 0.00 C ATOM 474 C GLU A 486 12.141 -5.768 -3.316 1.00 0.00 C ATOM 475 O GLU A 486 12.589 -6.878 -3.598 1.00 0.00 O ATOM 476 CB GLU A 486 14.049 -4.804 -2.015 1.00 0.00 C ATOM 477 CG GLU A 486 14.564 -4.185 -3.303 1.00 0.00 C ATOM 478 CD GLU A 486 16.059 -3.932 -3.271 1.00 0.00 C ATOM 479 OE1 GLU A 486 16.818 -4.890 -3.016 1.00 0.00 O ATOM 480 OE2 GLU A 486 16.469 -2.775 -3.502 1.00 0.00 O ATOM 0 H GLU A 486 12.942 -6.167 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 486 12.014 -4.113 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 486 14.291 -4.144 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 486 14.572 -5.744 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 486 14.329 -4.845 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 486 14.044 -3.244 -3.483 1.00 0.00 H new ATOM 487 N GLY A 487 11.292 -5.110 -4.101 1.00 0.00 N ATOM 488 CA GLY A 487 10.845 -5.686 -5.356 1.00 0.00 C ATOM 489 C GLY A 487 9.439 -6.246 -5.268 1.00 0.00 C ATOM 490 O GLY A 487 8.819 -6.548 -6.288 1.00 0.00 O ATOM 0 H GLY A 487 10.906 -4.189 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 487 10.882 -4.925 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 487 11.531 -6.479 -5.653 1.00 0.00 H new ATOM 494 N ASP A 488 8.936 -6.388 -4.047 1.00 0.00 N ATOM 495 CA ASP A 488 7.594 -6.917 -3.829 1.00 0.00 C ATOM 496 C ASP A 488 6.559 -5.797 -3.847 1.00 0.00 C ATOM 497 O ASP A 488 6.876 -4.639 -3.575 1.00 0.00 O ATOM 498 CB ASP A 488 7.528 -7.668 -2.499 1.00 0.00 C ATOM 499 CG ASP A 488 7.866 -9.139 -2.646 1.00 0.00 C ATOM 500 OD1 ASP A 488 9.066 -9.480 -2.601 1.00 0.00 O ATOM 501 OD2 ASP A 488 6.929 -9.949 -2.806 1.00 0.00 O ATOM 0 H ASP A 488 9.437 -6.144 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 488 7.367 -7.610 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 488 8.218 -7.209 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 488 6.527 -7.569 -2.078 1.00 0.00 H new ATOM 506 N THR A 489 5.319 -6.149 -4.172 1.00 0.00 N ATOM 507 CA THR A 489 4.237 -5.174 -4.227 1.00 0.00 C ATOM 508 C THR A 489 2.975 -5.714 -3.566 1.00 0.00 C ATOM 509 O THR A 489 2.899 -6.893 -3.221 1.00 0.00 O ATOM 510 CB THR A 489 3.912 -4.778 -5.680 1.00 0.00 C ATOM 511 OG1 THR A 489 3.315 -5.883 -6.367 1.00 0.00 O ATOM 512 CG2 THR A 489 5.169 -4.337 -6.415 1.00 0.00 C ATOM 0 H THR A 489 5.039 -7.103 -4.401 1.00 0.00 H new ATOM 0 HA THR A 489 4.579 -4.292 -3.685 1.00 0.00 H new ATOM 0 HB THR A 489 3.212 -3.943 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 489 3.110 -5.623 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 489 4.914 -4.062 -7.439 1.00 0.00 H new ATOM 0 HG22 THR A 489 5.605 -3.477 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 489 5.889 -5.155 -6.427 1.00 0.00 H new ATOM 520 N GLY A 490 1.984 -4.845 -3.392 1.00 0.00 N ATOM 521 CA GLY A 490 0.737 -5.254 -2.772 1.00 0.00 C ATOM 522 C GLY A 490 -0.223 -4.097 -2.582 1.00 0.00 C ATOM 523 O GLY A 490 0.119 -2.945 -2.853 1.00 0.00 O ATOM 0 H GLY A 490 2.023 -3.864 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 490 0.263 -6.018 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 490 0.948 -5.709 -1.804 1.00 0.00 H new ATOM 527 N LEU A 491 -1.430 -4.402 -2.117 1.00 0.00 N ATOM 528 CA LEU A 491 -2.444 -3.379 -1.892 1.00 0.00 C ATOM 529 C LEU A 491 -2.463 -2.941 -0.431 1.00 0.00 C ATOM 530 O LEU A 491 -2.120 -3.716 0.463 1.00 0.00 O ATOM 531 CB LEU A 491 -3.824 -3.902 -2.297 1.00 0.00 C ATOM 532 CG LEU A 491 -4.234 -3.659 -3.750 1.00 0.00 C ATOM 533 CD1 LEU A 491 -5.548 -4.360 -4.058 1.00 0.00 C ATOM 534 CD2 LEU A 491 -4.344 -2.167 -4.030 1.00 0.00 C ATOM 0 H LEU A 491 -1.730 -5.350 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 491 -2.194 -2.515 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -3.854 -4.975 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -4.569 -3.442 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 491 -3.464 -4.074 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -5.824 -4.176 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -5.435 -5.432 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -6.328 -3.975 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -4.637 -2.012 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -5.094 -1.728 -3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -3.380 -1.691 -3.850 1.00 0.00 H new ATOM 546 N ILE A 492 -2.867 -1.698 -0.196 1.00 0.00 N ATOM 547 CA ILE A 492 -2.933 -1.159 1.157 1.00 0.00 C ATOM 548 C ILE A 492 -4.207 -1.607 1.865 1.00 0.00 C ATOM 549 O ILE A 492 -5.300 -1.127 1.562 1.00 0.00 O ATOM 550 CB ILE A 492 -2.874 0.380 1.154 1.00 0.00 C ATOM 551 CG1 ILE A 492 -1.717 0.866 0.279 1.00 0.00 C ATOM 552 CG2 ILE A 492 -2.730 0.907 2.574 1.00 0.00 C ATOM 553 CD1 ILE A 492 -1.799 2.336 -0.068 1.00 0.00 C ATOM 0 H ILE A 492 -3.154 -1.045 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 492 -2.067 -1.546 1.694 1.00 0.00 H new ATOM 0 HB ILE A 492 -3.805 0.764 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 492 -0.776 0.675 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 492 -1.699 0.284 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 492 -2.690 1.996 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 492 -3.584 0.586 3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 492 -1.813 0.517 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 492 -0.947 2.611 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 492 -2.723 2.530 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 492 -1.786 2.927 0.848 1.00 0.00 H new ATOM 565 N VAL A 493 -4.059 -2.528 2.811 1.00 0.00 N ATOM 566 CA VAL A 493 -5.198 -3.039 3.566 1.00 0.00 C ATOM 567 C VAL A 493 -5.333 -2.326 4.906 1.00 0.00 C ATOM 568 O VAL A 493 -6.441 -2.126 5.405 1.00 0.00 O ATOM 569 CB VAL A 493 -5.073 -4.554 3.813 1.00 0.00 C ATOM 570 CG1 VAL A 493 -5.371 -5.330 2.538 1.00 0.00 C ATOM 571 CG2 VAL A 493 -3.689 -4.895 4.342 1.00 0.00 C ATOM 0 H VAL A 493 -3.162 -2.936 3.073 1.00 0.00 H new ATOM 0 HA VAL A 493 -6.087 -2.849 2.965 1.00 0.00 H new ATOM 0 HB VAL A 493 -5.806 -4.843 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 493 -5.278 -6.398 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 493 -6.385 -5.109 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 493 -4.664 -5.039 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 493 -3.619 -5.970 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 493 -2.936 -4.592 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 493 -3.518 -4.368 5.281 1.00 0.00 H new ATOM 581 N ARG A 494 -4.199 -1.945 5.485 1.00 0.00 N ATOM 582 CA ARG A 494 -4.191 -1.254 6.769 1.00 0.00 C ATOM 583 C ARG A 494 -3.027 -0.271 6.850 1.00 0.00 C ATOM 584 O ARG A 494 -1.957 -0.512 6.290 1.00 0.00 O ATOM 585 CB ARG A 494 -4.100 -2.264 7.914 1.00 0.00 C ATOM 586 CG ARG A 494 -3.460 -1.702 9.173 1.00 0.00 C ATOM 587 CD ARG A 494 -3.495 -2.707 10.313 1.00 0.00 C ATOM 588 NE ARG A 494 -4.845 -3.202 10.565 1.00 0.00 N ATOM 589 CZ ARG A 494 -5.129 -4.140 11.462 1.00 0.00 C ATOM 590 NH1 ARG A 494 -4.162 -4.680 12.190 1.00 0.00 N ATOM 591 NH2 ARG A 494 -6.383 -4.538 11.633 1.00 0.00 N ATOM 0 H ARG A 494 -3.274 -2.103 5.085 1.00 0.00 H new ATOM 0 HA ARG A 494 -5.123 -0.695 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 494 -5.102 -2.620 8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 494 -3.526 -3.128 7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 494 -2.427 -1.423 8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 494 -3.981 -0.793 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 494 -2.840 -3.545 10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 494 -3.105 -2.242 11.218 1.00 0.00 H new ATOM 0 HE ARG A 494 -5.613 -2.806 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 494 -3.197 -4.376 12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 494 -4.383 -5.400 12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 494 -7.130 -4.124 11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 494 -6.600 -5.258 12.322 1.00 0.00 H new ATOM 605 N VAL A 495 -3.243 0.838 7.550 1.00 0.00 N ATOM 606 CA VAL A 495 -2.213 1.858 7.705 1.00 0.00 C ATOM 607 C VAL A 495 -2.058 2.265 9.166 1.00 0.00 C ATOM 608 O VAL A 495 -3.009 2.193 9.944 1.00 0.00 O ATOM 609 CB VAL A 495 -2.530 3.109 6.865 1.00 0.00 C ATOM 610 CG1 VAL A 495 -1.247 3.801 6.432 1.00 0.00 C ATOM 611 CG2 VAL A 495 -3.380 2.739 5.659 1.00 0.00 C ATOM 0 H VAL A 495 -4.123 1.053 8.019 1.00 0.00 H new ATOM 0 HA VAL A 495 -1.279 1.421 7.352 1.00 0.00 H new ATOM 0 HB VAL A 495 -3.099 3.805 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 495 -1.491 4.683 5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 495 -0.680 4.102 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 495 -0.648 3.115 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 495 -3.595 3.635 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 495 -2.840 2.024 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 495 -4.316 2.293 5.996 1.00 0.00 H new ATOM 621 N GLU A 496 -0.854 2.693 9.531 1.00 0.00 N ATOM 622 CA GLU A 496 -0.575 3.112 10.900 1.00 0.00 C ATOM 623 C GLU A 496 0.437 4.254 10.924 1.00 0.00 C ATOM 624 O GLU A 496 1.339 4.314 10.090 1.00 0.00 O ATOM 625 CB GLU A 496 -0.049 1.932 11.720 1.00 0.00 C ATOM 626 CG GLU A 496 -1.035 0.782 11.833 1.00 0.00 C ATOM 627 CD GLU A 496 -2.023 0.970 12.968 1.00 0.00 C ATOM 628 OE1 GLU A 496 -2.674 2.034 13.018 1.00 0.00 O ATOM 629 OE2 GLU A 496 -2.145 0.052 13.806 1.00 0.00 O ATOM 0 H GLU A 496 -0.056 2.759 8.899 1.00 0.00 H new ATOM 0 HA GLU A 496 -1.506 3.466 11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 496 0.872 1.567 11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 496 0.206 2.281 12.721 1.00 0.00 H new ATOM 0 HG2 GLU A 496 -1.580 0.682 10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 496 -0.487 -0.148 11.984 1.00 0.00 H new ATOM 636 N GLU A 497 0.278 5.158 11.886 1.00 0.00 N ATOM 637 CA GLU A 497 1.176 6.298 12.018 1.00 0.00 C ATOM 638 C GLU A 497 2.634 5.850 11.978 1.00 0.00 C ATOM 639 O GLU A 497 3.509 6.588 11.527 1.00 0.00 O ATOM 640 CB GLU A 497 0.897 7.048 13.322 1.00 0.00 C ATOM 641 CG GLU A 497 -0.323 7.951 13.256 1.00 0.00 C ATOM 642 CD GLU A 497 -1.623 7.188 13.426 1.00 0.00 C ATOM 643 OE1 GLU A 497 -1.828 6.600 14.508 1.00 0.00 O ATOM 644 OE2 GLU A 497 -2.434 7.180 12.477 1.00 0.00 O ATOM 0 H GLU A 497 -0.464 5.122 12.585 1.00 0.00 H new ATOM 0 HA GLU A 497 0.997 6.968 11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 497 0.760 6.324 14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 497 1.769 7.648 13.580 1.00 0.00 H new ATOM 0 HG2 GLU A 497 -0.249 8.713 14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 497 -0.334 8.471 12.298 1.00 0.00 H new ATOM 651 N ASN A 498 2.887 4.635 12.453 1.00 0.00 N ATOM 652 CA ASN A 498 4.238 4.088 12.473 1.00 0.00 C ATOM 653 C ASN A 498 4.608 3.500 11.115 1.00 0.00 C ATOM 654 O ASN A 498 5.510 3.993 10.437 1.00 0.00 O ATOM 655 CB ASN A 498 4.360 3.014 13.556 1.00 0.00 C ATOM 656 CG ASN A 498 3.881 3.501 14.910 1.00 0.00 C ATOM 657 OD1 ASN A 498 2.767 4.007 15.042 1.00 0.00 O ATOM 658 ND2 ASN A 498 4.724 3.351 15.925 1.00 0.00 N ATOM 0 H ASN A 498 2.174 4.011 12.829 1.00 0.00 H new ATOM 0 HA ASN A 498 4.928 4.901 12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 498 3.781 2.138 13.262 1.00 0.00 H new ATOM 0 HB3 ASN A 498 5.400 2.697 13.634 1.00 0.00 H new ATOM 0 HD21 ASN A 498 4.457 3.661 16.860 1.00 0.00 H new ATOM 0 HD22 ASN A 498 5.638 2.926 15.770 1.00 0.00 H new ATOM 665 N PHE A 499 3.904 2.443 10.723 1.00 0.00 N ATOM 666 CA PHE A 499 4.157 1.787 9.445 1.00 0.00 C ATOM 667 C PHE A 499 2.851 1.515 8.705 1.00 0.00 C ATOM 668 O PHE A 499 1.764 1.690 9.256 1.00 0.00 O ATOM 669 CB PHE A 499 4.916 0.476 9.662 1.00 0.00 C ATOM 670 CG PHE A 499 4.616 -0.179 10.980 1.00 0.00 C ATOM 671 CD1 PHE A 499 3.575 -1.086 11.096 1.00 0.00 C ATOM 672 CD2 PHE A 499 5.374 0.112 12.103 1.00 0.00 C ATOM 673 CE1 PHE A 499 3.296 -1.690 12.308 1.00 0.00 C ATOM 674 CE2 PHE A 499 5.100 -0.489 13.317 1.00 0.00 C ATOM 675 CZ PHE A 499 4.060 -1.392 13.419 1.00 0.00 C ATOM 0 H PHE A 499 3.154 2.022 11.272 1.00 0.00 H new ATOM 0 HA PHE A 499 4.766 2.455 8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.668 -0.216 8.857 1.00 0.00 H new ATOM 0 HB3 PHE A 499 5.987 0.670 9.597 1.00 0.00 H new ATOM 0 HD1 PHE A 499 2.975 -1.324 10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 499 6.189 0.817 12.029 1.00 0.00 H new ATOM 0 HE1 PHE A 499 2.481 -2.394 12.386 1.00 0.00 H new ATOM 0 HE2 PHE A 499 5.698 -0.253 14.185 1.00 0.00 H new ATOM 0 HZ PHE A 499 3.845 -1.864 14.366 1.00 0.00 H new ATOM 685 N VAL A 500 2.966 1.085 7.452 1.00 0.00 N ATOM 686 CA VAL A 500 1.796 0.788 6.635 1.00 0.00 C ATOM 687 C VAL A 500 1.716 -0.699 6.310 1.00 0.00 C ATOM 688 O VAL A 500 2.713 -1.316 5.932 1.00 0.00 O ATOM 689 CB VAL A 500 1.810 1.590 5.321 1.00 0.00 C ATOM 690 CG1 VAL A 500 0.455 1.515 4.634 1.00 0.00 C ATOM 691 CG2 VAL A 500 2.205 3.036 5.583 1.00 0.00 C ATOM 0 H VAL A 500 3.858 0.935 6.981 1.00 0.00 H new ATOM 0 HA VAL A 500 0.922 1.077 7.218 1.00 0.00 H new ATOM 0 HB VAL A 500 2.552 1.149 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 500 0.485 2.088 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 500 0.218 0.475 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -0.310 1.928 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 500 2.210 3.588 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 500 1.489 3.491 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 500 3.200 3.067 6.027 1.00 0.00 H new ATOM 701 N ILE A 501 0.525 -1.269 6.458 1.00 0.00 N ATOM 702 CA ILE A 501 0.315 -2.684 6.177 1.00 0.00 C ATOM 703 C ILE A 501 -0.322 -2.884 4.806 1.00 0.00 C ATOM 704 O ILE A 501 -1.304 -2.224 4.463 1.00 0.00 O ATOM 705 CB ILE A 501 -0.577 -3.343 7.246 1.00 0.00 C ATOM 706 CG1 ILE A 501 -0.035 -3.048 8.646 1.00 0.00 C ATOM 707 CG2 ILE A 501 -0.663 -4.844 7.011 1.00 0.00 C ATOM 708 CD1 ILE A 501 1.272 -3.747 8.948 1.00 0.00 C ATOM 0 H ILE A 501 -0.309 -0.773 6.771 1.00 0.00 H new ATOM 0 HA ILE A 501 1.297 -3.158 6.191 1.00 0.00 H new ATOM 0 HB ILE A 501 -1.581 -2.924 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 501 0.104 -1.972 8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 501 -0.778 -3.349 9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 501 -1.297 -5.296 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 501 -1.089 -5.034 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 501 0.335 -5.278 7.064 1.00 0.00 H new ATOM 0 HD11 ILE A 501 1.596 -3.492 9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 501 1.134 -4.826 8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 501 2.029 -3.428 8.232 1.00 0.00 H new ATOM 720 N LEU A 502 0.243 -3.799 4.026 1.00 0.00 N ATOM 721 CA LEU A 502 -0.271 -4.089 2.692 1.00 0.00 C ATOM 722 C LEU A 502 -0.373 -5.594 2.463 1.00 0.00 C ATOM 723 O LEU A 502 0.444 -6.366 2.966 1.00 0.00 O ATOM 724 CB LEU A 502 0.632 -3.460 1.629 1.00 0.00 C ATOM 725 CG LEU A 502 1.996 -4.122 1.430 1.00 0.00 C ATOM 726 CD1 LEU A 502 2.581 -3.742 0.078 1.00 0.00 C ATOM 727 CD2 LEU A 502 2.946 -3.733 2.553 1.00 0.00 C ATOM 0 H LEU A 502 1.057 -4.353 4.294 1.00 0.00 H new ATOM 0 HA LEU A 502 -1.270 -3.660 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 502 0.102 -3.473 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 502 0.793 -2.414 1.890 1.00 0.00 H new ATOM 0 HG LEU A 502 1.861 -5.203 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 502 3.552 -4.222 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 502 1.909 -4.071 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 502 2.702 -2.660 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 502 3.912 -4.213 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 502 3.076 -2.651 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 502 2.532 -4.056 3.508 1.00 0.00 H new ATOM 739 N PHE A 503 -1.379 -6.004 1.698 1.00 0.00 N ATOM 740 CA PHE A 503 -1.588 -7.416 1.401 1.00 0.00 C ATOM 741 C PHE A 503 -0.869 -7.813 0.114 1.00 0.00 C ATOM 742 O PHE A 503 -1.010 -7.155 -0.916 1.00 0.00 O ATOM 743 CB PHE A 503 -3.083 -7.718 1.277 1.00 0.00 C ATOM 744 CG PHE A 503 -3.396 -9.186 1.228 1.00 0.00 C ATOM 745 CD1 PHE A 503 -3.530 -9.919 2.396 1.00 0.00 C ATOM 746 CD2 PHE A 503 -3.556 -9.833 0.013 1.00 0.00 C ATOM 747 CE1 PHE A 503 -3.817 -11.270 2.353 1.00 0.00 C ATOM 748 CE2 PHE A 503 -3.844 -11.184 -0.036 1.00 0.00 C ATOM 749 CZ PHE A 503 -3.976 -11.903 1.136 1.00 0.00 C ATOM 0 H PHE A 503 -2.063 -5.378 1.272 1.00 0.00 H new ATOM 0 HA PHE A 503 -1.174 -7.999 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 503 -3.607 -7.271 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 503 -3.468 -7.242 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 503 -3.409 -9.429 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 503 -3.454 -9.275 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 503 -3.917 -11.831 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 503 -3.966 -11.677 -0.989 1.00 0.00 H new ATOM 0 HZ PHE A 503 -4.203 -12.958 1.101 1.00 0.00 H new ATOM 759 N SER A 504 -0.098 -8.893 0.183 1.00 0.00 N ATOM 760 CA SER A 504 0.647 -9.376 -0.974 1.00 0.00 C ATOM 761 C SER A 504 -0.167 -10.405 -1.753 1.00 0.00 C ATOM 762 O SER A 504 -0.664 -11.378 -1.186 1.00 0.00 O ATOM 763 CB SER A 504 1.977 -9.989 -0.531 1.00 0.00 C ATOM 764 OG SER A 504 2.958 -9.865 -1.546 1.00 0.00 O ATOM 0 H SER A 504 0.027 -9.450 1.028 1.00 0.00 H new ATOM 0 HA SER A 504 0.847 -8.527 -1.627 1.00 0.00 H new ATOM 0 HB2 SER A 504 2.324 -9.496 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 504 1.833 -11.041 -0.287 1.00 0.00 H new ATOM 0 HG SER A 504 3.745 -10.398 -1.307 1.00 0.00 H new ATOM 770 N ASP A 505 -0.298 -10.182 -3.056 1.00 0.00 N ATOM 771 CA ASP A 505 -1.051 -11.089 -3.914 1.00 0.00 C ATOM 772 C ASP A 505 -0.285 -12.391 -4.133 1.00 0.00 C ATOM 773 O ASP A 505 -0.862 -13.403 -4.533 1.00 0.00 O ATOM 774 CB ASP A 505 -1.346 -10.425 -5.260 1.00 0.00 C ATOM 775 CG ASP A 505 -0.091 -10.196 -6.080 1.00 0.00 C ATOM 776 OD1 ASP A 505 0.664 -9.254 -5.758 1.00 0.00 O ATOM 777 OD2 ASP A 505 0.135 -10.956 -7.044 1.00 0.00 O ATOM 0 H ASP A 505 0.107 -9.381 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 505 -1.993 -11.321 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 505 -2.037 -11.049 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 505 -1.844 -9.471 -5.090 1.00 0.00 H new ATOM 782 N LEU A 506 1.016 -12.357 -3.868 1.00 0.00 N ATOM 783 CA LEU A 506 1.862 -13.534 -4.036 1.00 0.00 C ATOM 784 C LEU A 506 1.766 -14.451 -2.821 1.00 0.00 C ATOM 785 O LEU A 506 1.345 -15.603 -2.931 1.00 0.00 O ATOM 786 CB LEU A 506 3.316 -13.113 -4.259 1.00 0.00 C ATOM 787 CG LEU A 506 3.662 -12.610 -5.661 1.00 0.00 C ATOM 788 CD1 LEU A 506 5.064 -12.022 -5.686 1.00 0.00 C ATOM 789 CD2 LEU A 506 3.535 -13.735 -6.678 1.00 0.00 C ATOM 0 H LEU A 506 1.508 -11.528 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 506 1.511 -14.082 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 506 3.560 -12.328 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 506 3.959 -13.964 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 506 2.956 -11.824 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 506 5.293 -11.669 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 506 5.121 -11.188 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 506 5.785 -12.787 -5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 506 3.785 -13.359 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 506 4.217 -14.543 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 506 2.512 -14.110 -6.680 1.00 0.00 H new ATOM 801 N THR A 507 2.158 -13.932 -1.662 1.00 0.00 N ATOM 802 CA THR A 507 2.116 -14.703 -0.426 1.00 0.00 C ATOM 803 C THR A 507 0.722 -14.679 0.190 1.00 0.00 C ATOM 804 O THR A 507 0.463 -15.350 1.189 1.00 0.00 O ATOM 805 CB THR A 507 3.129 -14.169 0.604 1.00 0.00 C ATOM 806 OG1 THR A 507 2.657 -12.938 1.163 1.00 0.00 O ATOM 807 CG2 THR A 507 4.491 -13.952 -0.039 1.00 0.00 C ATOM 0 H THR A 507 2.508 -12.980 -1.553 1.00 0.00 H new ATOM 0 HA THR A 507 2.378 -15.729 -0.685 1.00 0.00 H new ATOM 0 HB THR A 507 3.233 -14.910 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 507 3.112 -12.770 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 507 5.190 -13.575 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 507 4.860 -14.897 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 507 4.400 -13.228 -0.849 1.00 0.00 H new ATOM 815 N MET A 508 -0.173 -13.903 -0.413 1.00 0.00 N ATOM 816 CA MET A 508 -1.542 -13.793 0.076 1.00 0.00 C ATOM 817 C MET A 508 -1.564 -13.568 1.585 1.00 0.00 C ATOM 818 O MET A 508 -2.402 -14.127 2.294 1.00 0.00 O ATOM 819 CB MET A 508 -2.334 -15.054 -0.275 1.00 0.00 C ATOM 820 CG MET A 508 -2.746 -15.126 -1.736 1.00 0.00 C ATOM 821 SD MET A 508 -3.875 -16.492 -2.073 1.00 0.00 S ATOM 822 CE MET A 508 -2.735 -17.728 -2.690 1.00 0.00 C ATOM 0 H MET A 508 0.026 -13.341 -1.241 1.00 0.00 H new ATOM 0 HA MET A 508 -2.007 -12.934 -0.408 1.00 0.00 H new ATOM 0 HB2 MET A 508 -1.733 -15.930 -0.032 1.00 0.00 H new ATOM 0 HB3 MET A 508 -3.227 -15.097 0.348 1.00 0.00 H new ATOM 0 HG2 MET A 508 -3.221 -14.188 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 508 -1.856 -15.234 -2.356 1.00 0.00 H new ATOM 0 HE1 MET A 508 -3.284 -18.635 -2.943 1.00 0.00 H new ATOM 0 HE2 MET A 508 -2.233 -17.348 -3.580 1.00 0.00 H new ATOM 0 HE3 MET A 508 -1.994 -17.954 -1.924 1.00 0.00 H new ATOM 832 N HIS A 509 -0.638 -12.747 2.070 1.00 0.00 N ATOM 833 CA HIS A 509 -0.552 -12.449 3.495 1.00 0.00 C ATOM 834 C HIS A 509 -0.330 -10.957 3.725 1.00 0.00 C ATOM 835 O HIS A 509 -0.081 -10.205 2.783 1.00 0.00 O ATOM 836 CB HIS A 509 0.580 -13.250 4.138 1.00 0.00 C ATOM 837 CG HIS A 509 0.325 -14.725 4.174 1.00 0.00 C ATOM 838 ND1 HIS A 509 -0.938 -15.273 4.088 1.00 0.00 N ATOM 839 CD2 HIS A 509 1.179 -15.769 4.285 1.00 0.00 C ATOM 840 CE1 HIS A 509 -0.849 -16.589 4.147 1.00 0.00 C ATOM 841 NE2 HIS A 509 0.425 -16.917 4.266 1.00 0.00 N ATOM 0 H HIS A 509 0.063 -12.277 1.498 1.00 0.00 H new ATOM 0 HA HIS A 509 -1.497 -12.734 3.958 1.00 0.00 H new ATOM 0 HB2 HIS A 509 1.503 -13.063 3.590 1.00 0.00 H new ATOM 0 HB3 HIS A 509 0.735 -12.892 5.156 1.00 0.00 H new ATOM 0 HD1 HIS A 509 -1.805 -14.744 3.994 1.00 0.00 H new ATOM 0 HD2 HIS A 509 2.254 -15.710 4.372 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.678 -17.280 4.105 1.00 0.00 H new ATOM 849 N GLU A 510 -0.423 -10.536 4.983 1.00 0.00 N ATOM 850 CA GLU A 510 -0.233 -9.134 5.335 1.00 0.00 C ATOM 851 C GLU A 510 1.241 -8.831 5.589 1.00 0.00 C ATOM 852 O GLU A 510 1.839 -9.349 6.533 1.00 0.00 O ATOM 853 CB GLU A 510 -1.059 -8.780 6.574 1.00 0.00 C ATOM 854 CG GLU A 510 -2.539 -9.088 6.426 1.00 0.00 C ATOM 855 CD GLU A 510 -2.873 -10.528 6.765 1.00 0.00 C ATOM 856 OE1 GLU A 510 -2.216 -11.094 7.664 1.00 0.00 O ATOM 857 OE2 GLU A 510 -3.790 -11.089 6.130 1.00 0.00 O ATOM 0 H GLU A 510 -0.629 -11.146 5.774 1.00 0.00 H new ATOM 0 HA GLU A 510 -0.571 -8.526 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 510 -0.666 -9.327 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 510 -0.937 -7.719 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 510 -3.111 -8.424 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 510 -2.849 -8.879 5.402 1.00 0.00 H new ATOM 864 N LEU A 511 1.820 -7.990 4.740 1.00 0.00 N ATOM 865 CA LEU A 511 3.225 -7.617 4.871 1.00 0.00 C ATOM 866 C LEU A 511 3.371 -6.304 5.632 1.00 0.00 C ATOM 867 O LEU A 511 2.562 -5.389 5.476 1.00 0.00 O ATOM 868 CB LEU A 511 3.871 -7.494 3.490 1.00 0.00 C ATOM 869 CG LEU A 511 3.652 -8.672 2.539 1.00 0.00 C ATOM 870 CD1 LEU A 511 4.390 -8.444 1.229 1.00 0.00 C ATOM 871 CD2 LEU A 511 4.103 -9.972 3.188 1.00 0.00 C ATOM 0 H LEU A 511 1.339 -7.553 3.954 1.00 0.00 H new ATOM 0 HA LEU A 511 3.732 -8.400 5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 511 3.490 -6.591 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 511 4.944 -7.356 3.624 1.00 0.00 H new ATOM 0 HG LEU A 511 2.586 -8.747 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 511 4.223 -9.292 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 511 4.020 -7.534 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 511 5.457 -8.342 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 511 3.940 -10.799 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 511 5.163 -9.908 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 511 3.530 -10.142 4.099 1.00 0.00 H new ATOM 883 N LYS A 512 4.410 -6.216 6.456 1.00 0.00 N ATOM 884 CA LYS A 512 4.666 -5.013 7.239 1.00 0.00 C ATOM 885 C LYS A 512 5.940 -4.319 6.770 1.00 0.00 C ATOM 886 O LYS A 512 7.030 -4.888 6.838 1.00 0.00 O ATOM 887 CB LYS A 512 4.780 -5.362 8.725 1.00 0.00 C ATOM 888 CG LYS A 512 5.255 -4.206 9.587 1.00 0.00 C ATOM 889 CD LYS A 512 6.032 -4.695 10.798 1.00 0.00 C ATOM 890 CE LYS A 512 5.901 -3.735 11.970 1.00 0.00 C ATOM 891 NZ LYS A 512 4.737 -4.072 12.836 1.00 0.00 N ATOM 0 H LYS A 512 5.089 -6.964 6.599 1.00 0.00 H new ATOM 0 HA LYS A 512 3.828 -4.331 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 512 3.808 -5.698 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 512 5.470 -6.198 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 512 5.884 -3.543 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 512 4.397 -3.620 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 512 5.669 -5.680 11.091 1.00 0.00 H new ATOM 0 HD3 LYS A 512 7.084 -4.808 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 512 6.815 -3.760 12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 512 5.792 -2.717 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 512 4.148 -3.225 12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 512 4.172 -4.818 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 512 5.077 -4.408 13.760 1.00 0.00 H new ATOM 905 N VAL A 513 5.797 -3.086 6.296 1.00 0.00 N ATOM 906 CA VAL A 513 6.937 -2.313 5.818 1.00 0.00 C ATOM 907 C VAL A 513 6.734 -0.823 6.066 1.00 0.00 C ATOM 908 O VAL A 513 5.620 -0.309 5.950 1.00 0.00 O ATOM 909 CB VAL A 513 7.181 -2.543 4.315 1.00 0.00 C ATOM 910 CG1 VAL A 513 8.528 -1.973 3.898 1.00 0.00 C ATOM 911 CG2 VAL A 513 7.095 -4.025 3.982 1.00 0.00 C ATOM 0 H VAL A 513 4.902 -2.600 6.233 1.00 0.00 H new ATOM 0 HA VAL A 513 7.808 -2.656 6.377 1.00 0.00 H new ATOM 0 HB VAL A 513 6.404 -2.022 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 513 8.682 -2.145 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 513 8.548 -0.902 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 513 9.321 -2.463 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 513 7.270 -4.169 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 513 7.849 -4.570 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 513 6.105 -4.399 4.241 1.00 0.00 H new ATOM 921 N LEU A 514 7.816 -0.132 6.407 1.00 0.00 N ATOM 922 CA LEU A 514 7.758 1.301 6.672 1.00 0.00 C ATOM 923 C LEU A 514 7.427 2.076 5.400 1.00 0.00 C ATOM 924 O LEU A 514 7.682 1.624 4.284 1.00 0.00 O ATOM 925 CB LEU A 514 9.088 1.788 7.248 1.00 0.00 C ATOM 926 CG LEU A 514 9.402 1.347 8.678 1.00 0.00 C ATOM 927 CD1 LEU A 514 10.800 1.791 9.079 1.00 0.00 C ATOM 928 CD2 LEU A 514 8.367 1.901 9.646 1.00 0.00 C ATOM 0 H LEU A 514 8.745 -0.541 6.507 1.00 0.00 H new ATOM 0 HA LEU A 514 6.967 1.479 7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 514 9.891 1.442 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 514 9.098 2.877 7.215 1.00 0.00 H new ATOM 0 HG LEU A 514 9.363 0.258 8.719 1.00 0.00 H new ATOM 0 HD11 LEU A 514 11.006 1.468 10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 514 11.531 1.346 8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 514 10.867 2.877 9.022 1.00 0.00 H new ATOM 0 HD21 LEU A 514 8.606 1.577 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 514 8.374 2.990 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 514 7.378 1.533 9.371 1.00 0.00 H new ATOM 940 N PRO A 515 6.848 3.274 5.571 1.00 0.00 N ATOM 941 CA PRO A 515 6.472 4.139 4.448 1.00 0.00 C ATOM 942 C PRO A 515 7.687 4.719 3.732 1.00 0.00 C ATOM 943 O PRO A 515 7.550 5.450 2.751 1.00 0.00 O ATOM 944 CB PRO A 515 5.662 5.253 5.115 1.00 0.00 C ATOM 945 CG PRO A 515 6.156 5.293 6.519 1.00 0.00 C ATOM 946 CD PRO A 515 6.515 3.876 6.873 1.00 0.00 C ATOM 0 HA PRO A 515 5.922 3.595 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 515 5.816 6.209 4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 515 4.593 5.042 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 515 7.022 5.949 6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 515 5.391 5.681 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 515 7.358 3.835 7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 515 5.685 3.359 7.354 1.00 0.00 H new ATOM 954 N ARG A 516 8.875 4.388 4.228 1.00 0.00 N ATOM 955 CA ARG A 516 10.113 4.878 3.636 1.00 0.00 C ATOM 956 C ARG A 516 10.657 3.883 2.614 1.00 0.00 C ATOM 957 O ARG A 516 11.622 4.171 1.906 1.00 0.00 O ATOM 958 CB ARG A 516 11.159 5.131 4.723 1.00 0.00 C ATOM 959 CG ARG A 516 11.848 3.868 5.212 1.00 0.00 C ATOM 960 CD ARG A 516 12.859 4.173 6.307 1.00 0.00 C ATOM 961 NE ARG A 516 13.900 3.152 6.390 1.00 0.00 N ATOM 962 CZ ARG A 516 14.903 3.054 5.525 1.00 0.00 C ATOM 963 NH1 ARG A 516 15.001 3.910 4.517 1.00 0.00 N ATOM 964 NH2 ARG A 516 15.813 2.098 5.667 1.00 0.00 N ATOM 0 H ARG A 516 9.006 3.782 5.038 1.00 0.00 H new ATOM 0 HA ARG A 516 9.896 5.816 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 516 11.911 5.819 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 516 10.680 5.624 5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 516 11.102 3.168 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 516 12.351 3.380 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 516 13.317 5.144 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 516 12.345 4.245 7.265 1.00 0.00 H new ATOM 0 HE ARG A 516 13.854 2.478 7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 516 14.305 4.647 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 516 15.773 3.832 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 516 15.742 1.438 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 516 16.583 2.024 5.002 1.00 0.00 H new ATOM 978 N ASP A 517 10.033 2.713 2.546 1.00 0.00 N ATOM 979 CA ASP A 517 10.454 1.675 1.611 1.00 0.00 C ATOM 980 C ASP A 517 9.340 1.354 0.619 1.00 0.00 C ATOM 981 O ASP A 517 9.465 0.437 -0.194 1.00 0.00 O ATOM 982 CB ASP A 517 10.859 0.410 2.369 1.00 0.00 C ATOM 983 CG ASP A 517 11.732 0.710 3.572 1.00 0.00 C ATOM 984 OD1 ASP A 517 12.877 1.168 3.374 1.00 0.00 O ATOM 985 OD2 ASP A 517 11.270 0.487 4.711 1.00 0.00 O ATOM 0 H ASP A 517 9.234 2.459 3.127 1.00 0.00 H new ATOM 0 HA ASP A 517 11.315 2.047 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 517 9.963 -0.116 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 517 11.393 -0.259 1.694 1.00 0.00 H new ATOM 990 N LEU A 518 8.253 2.114 0.691 1.00 0.00 N ATOM 991 CA LEU A 518 7.117 1.910 -0.200 1.00 0.00 C ATOM 992 C LEU A 518 6.955 3.088 -1.155 1.00 0.00 C ATOM 993 O LEU A 518 7.448 4.184 -0.891 1.00 0.00 O ATOM 994 CB LEU A 518 5.835 1.716 0.612 1.00 0.00 C ATOM 995 CG LEU A 518 5.897 0.671 1.726 1.00 0.00 C ATOM 996 CD1 LEU A 518 4.589 0.638 2.501 1.00 0.00 C ATOM 997 CD2 LEU A 518 6.213 -0.703 1.151 1.00 0.00 C ATOM 0 H LEU A 518 8.135 2.877 1.357 1.00 0.00 H new ATOM 0 HA LEU A 518 7.306 1.013 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 518 5.561 2.674 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 518 5.033 1.440 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 518 6.696 0.948 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 518 4.652 -0.112 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 518 4.404 1.616 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 518 3.772 0.386 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 518 6.253 -1.435 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 518 5.436 -0.988 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 518 7.176 -0.671 0.641 1.00 0.00 H new ATOM 1009 N GLN A 519 6.258 2.855 -2.263 1.00 0.00 N ATOM 1010 CA GLN A 519 6.030 3.898 -3.255 1.00 0.00 C ATOM 1011 C GLN A 519 4.741 3.641 -4.028 1.00 0.00 C ATOM 1012 O GLN A 519 4.507 2.535 -4.517 1.00 0.00 O ATOM 1013 CB GLN A 519 7.212 3.978 -4.223 1.00 0.00 C ATOM 1014 CG GLN A 519 7.479 2.678 -4.965 1.00 0.00 C ATOM 1015 CD GLN A 519 8.407 2.863 -6.150 1.00 0.00 C ATOM 1016 OE1 GLN A 519 8.763 3.987 -6.505 1.00 0.00 O ATOM 1017 NE2 GLN A 519 8.805 1.758 -6.769 1.00 0.00 N ATOM 0 H GLN A 519 5.842 1.953 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 519 5.934 4.849 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 519 7.024 4.769 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN A 519 8.107 4.261 -3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 519 7.915 1.954 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 519 6.533 2.260 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 519 8.485 0.847 -6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 519 9.430 1.821 -7.572 1.00 0.00 H new ATOM 1026 N LEU A 520 3.907 4.670 -4.136 1.00 0.00 N ATOM 1027 CA LEU A 520 2.640 4.556 -4.850 1.00 0.00 C ATOM 1028 C LEU A 520 2.867 4.130 -6.297 1.00 0.00 C ATOM 1029 O LEU A 520 3.991 4.172 -6.798 1.00 0.00 O ATOM 1030 CB LEU A 520 1.888 5.887 -4.810 1.00 0.00 C ATOM 1031 CG LEU A 520 0.981 6.110 -3.599 1.00 0.00 C ATOM 1032 CD1 LEU A 520 0.082 7.316 -3.820 1.00 0.00 C ATOM 1033 CD2 LEU A 520 0.150 4.866 -3.319 1.00 0.00 C ATOM 0 H LEU A 520 4.085 5.592 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 520 2.040 3.792 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 520 2.619 6.695 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 520 1.282 5.966 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 520 1.609 6.306 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 520 -0.556 7.459 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 520 0.695 8.204 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 520 -0.539 7.151 -4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 520 -0.489 5.043 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 520 -0.469 4.639 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 520 0.812 4.025 -3.115 1.00 0.00 H new ATOM 1045 N CYS A 521 1.792 3.723 -6.964 1.00 0.00 N ATOM 1046 CA CYS A 521 1.874 3.291 -8.355 1.00 0.00 C ATOM 1047 C CYS A 521 0.779 3.944 -9.192 1.00 0.00 C ATOM 1048 O CYS A 521 -0.408 3.694 -8.984 1.00 0.00 O ATOM 1049 CB CYS A 521 1.761 1.768 -8.445 1.00 0.00 C ATOM 1050 SG CYS A 521 2.164 1.094 -10.073 1.00 0.00 S ATOM 0 H CYS A 521 0.854 3.683 -6.564 1.00 0.00 H new ATOM 0 HA CYS A 521 2.842 3.601 -8.750 1.00 0.00 H new ATOM 0 HB2 CYS A 521 2.424 1.321 -7.704 1.00 0.00 H new ATOM 0 HB3 CYS A 521 0.745 1.474 -8.183 1.00 0.00 H new ATOM 0 HG CYS A 521 2.249 -0.201 -9.998 1.00 0.00 H new ATOM 1056 N SER A 522 1.187 4.784 -10.138 1.00 0.00 N ATOM 1057 CA SER A 522 0.241 5.478 -11.004 1.00 0.00 C ATOM 1058 C SER A 522 -0.505 6.563 -10.233 1.00 0.00 C ATOM 1059 O SER A 522 -1.735 6.599 -10.225 1.00 0.00 O ATOM 1060 CB SER A 522 -0.757 4.486 -11.604 1.00 0.00 C ATOM 1061 OG SER A 522 -1.449 5.058 -12.700 1.00 0.00 O ATOM 0 H SER A 522 2.166 5.000 -10.324 1.00 0.00 H new ATOM 0 HA SER A 522 0.803 5.949 -11.810 1.00 0.00 H new ATOM 0 HB2 SER A 522 -0.231 3.589 -11.930 1.00 0.00 H new ATOM 0 HB3 SER A 522 -1.471 4.177 -10.841 1.00 0.00 H new ATOM 0 HG SER A 522 -1.927 5.860 -12.402 1.00 0.00 H new ATOM 1067 N GLU A 523 0.249 7.446 -9.586 1.00 0.00 N ATOM 1068 CA GLU A 523 -0.340 8.532 -8.812 1.00 0.00 C ATOM 1069 C GLU A 523 0.549 9.772 -8.848 1.00 0.00 C ATOM 1070 O GLU A 523 1.682 9.749 -8.369 1.00 0.00 O ATOM 1071 CB GLU A 523 -0.562 8.093 -7.363 1.00 0.00 C ATOM 1072 CG GLU A 523 -1.353 6.802 -7.232 1.00 0.00 C ATOM 1073 CD GLU A 523 -2.808 6.967 -7.626 1.00 0.00 C ATOM 1074 OE1 GLU A 523 -3.353 8.073 -7.434 1.00 0.00 O ATOM 1075 OE2 GLU A 523 -3.401 5.988 -8.127 1.00 0.00 O ATOM 0 H GLU A 523 1.269 7.430 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 523 -1.301 8.783 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 523 0.406 7.967 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 523 -1.085 8.886 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 523 -0.896 6.035 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 523 -1.297 6.449 -6.202 1.00 0.00 H new TER 1082 GLU A 523