USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 614 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 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 161:sc= -0.0585 (180deg=-0.445) USER MOD Single : A 2 GLN : amide:sc= -0.783 X(o=-0.78,f=-1.1) USER MOD Single : A 3 GLN : amide:sc=-0.00176 K(o=-0.0018,f=-0.6) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 17 MET CE :methyl 138:sc= -0.344 (180deg=-4.27!) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= 1.26 (180deg=0.387) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.0429 (180deg=-0.4) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0247 (180deg=-0.41) USER MOD Single : A 40 MET CE :methyl -138:sc= -0.128 (180deg=-1.05) USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.0499 (180deg=-0.517) USER MOD Single : A 44 MET CE :methyl 159:sc= 0 (180deg=-0.462) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 130:sc= -0.12 (180deg=-0.963) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.414 10.584 -47.980 1.00 0.00 N ATOM 2 CA LYS A 1 -4.423 10.013 -47.044 1.00 0.00 C ATOM 3 C LYS A 1 -4.924 8.684 -47.599 1.00 0.00 C ATOM 4 O LYS A 1 -5.558 8.646 -48.654 1.00 0.00 O ATOM 5 CB LYS A 1 -5.591 10.987 -46.880 1.00 0.00 C ATOM 6 CG LYS A 1 -6.511 10.497 -45.761 1.00 0.00 C ATOM 7 CD LYS A 1 -7.634 11.510 -45.529 1.00 0.00 C ATOM 8 CE LYS A 1 -8.549 11.015 -44.407 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.786 10.954 -43.128 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.068 11.491 -47.607 1.00 0.00 H new ATOM 0 H2 LYS A 1 -2.617 9.923 -48.077 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.852 10.737 -48.911 1.00 0.00 H new ATOM 0 HA LYS A 1 -3.965 9.849 -46.068 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.217 11.984 -46.647 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.147 11.065 -47.814 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.933 9.527 -46.024 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.940 10.358 -44.843 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.213 12.481 -45.267 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.208 11.648 -46.445 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.404 11.683 -44.300 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.943 10.029 -44.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.450 10.936 -42.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.202 10.093 -43.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.172 11.790 -43.050 1.00 0.00 H new ATOM 22 N GLN A 2 -4.636 7.607 -46.875 1.00 0.00 N ATOM 23 CA GLN A 2 -5.058 6.275 -47.292 1.00 0.00 C ATOM 24 C GLN A 2 -5.538 5.470 -46.089 1.00 0.00 C ATOM 25 O GLN A 2 -5.126 5.730 -44.959 1.00 0.00 O ATOM 26 CB GLN A 2 -3.895 5.554 -47.976 1.00 0.00 C ATOM 27 CG GLN A 2 -4.406 4.290 -48.672 1.00 0.00 C ATOM 28 CD GLN A 2 -3.284 3.634 -49.471 1.00 0.00 C ATOM 29 OE1 GLN A 2 -2.439 4.323 -50.042 1.00 0.00 O ATOM 30 NE2 GLN A 2 -3.219 2.332 -49.542 1.00 0.00 N ATOM 0 H GLN A 2 -4.114 7.630 -45.999 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.884 6.371 -47.997 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.423 6.215 -48.703 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.134 5.293 -47.241 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.791 3.590 -47.931 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.234 4.541 -49.334 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -3.919 1.760 -49.069 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.469 1.887 -50.070 1.00 0.00 H new ATOM 39 N GLN A 3 -6.403 4.495 -46.351 1.00 0.00 N ATOM 40 CA GLN A 3 -6.939 3.645 -45.296 1.00 0.00 C ATOM 41 C GLN A 3 -5.821 2.879 -44.597 1.00 0.00 C ATOM 42 O GLN A 3 -5.846 2.709 -43.376 1.00 0.00 O ATOM 43 CB GLN A 3 -7.962 2.666 -45.881 1.00 0.00 C ATOM 44 CG GLN A 3 -7.311 1.785 -46.952 1.00 0.00 C ATOM 45 CD GLN A 3 -8.359 0.923 -47.646 1.00 0.00 C ATOM 46 OE1 GLN A 3 -9.456 1.393 -47.951 1.00 0.00 O ATOM 47 NE2 GLN A 3 -8.076 -0.321 -47.924 1.00 0.00 N ATOM 0 H GLN A 3 -6.747 4.275 -47.286 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.432 4.280 -44.559 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.371 2.041 -45.087 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.796 3.218 -46.314 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.803 2.411 -47.686 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.553 1.149 -46.496 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.166 -0.706 -47.670 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.765 -0.908 -48.396 1.00 0.00 H new ATOM 56 N GLU A 4 -4.851 2.420 -45.381 1.00 0.00 N ATOM 57 CA GLU A 4 -3.725 1.665 -44.842 1.00 0.00 C ATOM 58 C GLU A 4 -2.904 2.529 -43.890 1.00 0.00 C ATOM 59 O GLU A 4 -2.482 2.063 -42.832 1.00 0.00 O ATOM 60 CB GLU A 4 -2.838 1.162 -45.983 1.00 0.00 C ATOM 61 CG GLU A 4 -3.594 0.098 -46.783 1.00 0.00 C ATOM 62 CD GLU A 4 -2.727 -0.395 -47.936 1.00 0.00 C ATOM 63 OE1 GLU A 4 -1.646 -0.891 -47.668 1.00 0.00 O ATOM 64 OE2 GLU A 4 -3.160 -0.268 -49.070 1.00 0.00 O ATOM 0 H GLU A 4 -4.822 2.557 -46.391 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.116 0.812 -44.287 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.558 1.991 -46.633 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.914 0.744 -45.583 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.861 -0.736 -46.134 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.525 0.513 -47.168 1.00 0.00 H new ATOM 71 N GLU A 5 -2.695 3.787 -44.269 1.00 0.00 N ATOM 72 CA GLU A 5 -1.934 4.718 -43.441 1.00 0.00 C ATOM 73 C GLU A 5 -2.673 4.973 -42.130 1.00 0.00 C ATOM 74 O GLU A 5 -2.064 5.045 -41.061 1.00 0.00 O ATOM 75 CB GLU A 5 -1.746 6.035 -44.197 1.00 0.00 C ATOM 76 CG GLU A 5 -0.811 5.831 -45.392 1.00 0.00 C ATOM 77 CD GLU A 5 -0.715 7.085 -46.257 1.00 0.00 C ATOM 78 OE1 GLU A 5 -1.488 8.008 -46.056 1.00 0.00 O ATOM 79 OE2 GLU A 5 0.151 7.111 -47.116 1.00 0.00 O ATOM 0 H GLU A 5 -3.041 4.184 -45.142 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.958 4.287 -43.217 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.711 6.406 -44.541 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.334 6.791 -43.528 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.182 5.559 -45.034 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.171 4.999 -45.997 1.00 0.00 H new ATOM 86 N GLU A 6 -3.987 5.125 -42.246 1.00 0.00 N ATOM 87 CA GLU A 6 -4.772 5.397 -41.045 1.00 0.00 C ATOM 88 C GLU A 6 -4.627 4.235 -40.069 1.00 0.00 C ATOM 89 O GLU A 6 -4.501 4.442 -38.862 1.00 0.00 O ATOM 90 CB GLU A 6 -6.240 5.606 -41.424 1.00 0.00 C ATOM 91 CG GLU A 6 -6.397 6.924 -42.187 1.00 0.00 C ATOM 92 CD GLU A 6 -6.059 8.112 -41.291 1.00 0.00 C ATOM 93 OE1 GLU A 6 -5.284 8.953 -41.714 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.581 8.164 -40.191 1.00 0.00 O ATOM 0 H GLU A 6 -4.514 5.068 -43.117 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.407 6.305 -40.565 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.588 4.776 -42.039 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.858 5.619 -40.526 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.745 6.924 -43.060 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.419 7.018 -42.553 1.00 0.00 H new ATOM 101 N ALA A 7 -4.678 3.022 -40.609 1.00 0.00 N ATOM 102 CA ALA A 7 -4.596 1.841 -39.760 1.00 0.00 C ATOM 103 C ALA A 7 -3.278 1.861 -38.993 1.00 0.00 C ATOM 104 O ALA A 7 -3.258 1.562 -37.800 1.00 0.00 O ATOM 105 CB ALA A 7 -4.671 0.582 -40.623 1.00 0.00 C ATOM 0 H ALA A 7 -4.773 2.833 -41.607 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.427 1.841 -39.054 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.609 -0.300 -39.986 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.615 0.570 -41.168 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.842 0.576 -41.331 1.00 0.00 H new ATOM 111 N GLU A 8 -2.194 2.243 -39.662 1.00 0.00 N ATOM 112 CA GLU A 8 -0.896 2.308 -39.003 1.00 0.00 C ATOM 113 C GLU A 8 -0.931 3.319 -37.861 1.00 0.00 C ATOM 114 O GLU A 8 -0.430 3.054 -36.766 1.00 0.00 O ATOM 115 CB GLU A 8 0.162 2.721 -40.028 1.00 0.00 C ATOM 116 CG GLU A 8 0.343 1.612 -41.067 1.00 0.00 C ATOM 117 CD GLU A 8 0.865 0.340 -40.407 1.00 0.00 C ATOM 118 OE1 GLU A 8 1.867 0.424 -39.716 1.00 0.00 O ATOM 119 OE2 GLU A 8 0.237 -0.691 -40.583 1.00 0.00 O ATOM 0 H GLU A 8 -2.188 2.509 -40.647 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.651 1.329 -38.591 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.138 3.646 -40.520 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.109 2.919 -39.526 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.608 1.409 -41.560 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.039 1.940 -41.839 1.00 0.00 H new ATOM 126 N ARG A 9 -1.559 4.459 -38.127 1.00 0.00 N ATOM 127 CA ARG A 9 -1.682 5.483 -37.093 1.00 0.00 C ATOM 128 C ARG A 9 -2.502 4.958 -35.917 1.00 0.00 C ATOM 129 O ARG A 9 -2.145 5.152 -34.755 1.00 0.00 O ATOM 130 CB ARG A 9 -2.349 6.730 -37.674 1.00 0.00 C ATOM 131 CG ARG A 9 -1.384 7.385 -38.663 1.00 0.00 C ATOM 132 CD ARG A 9 -2.106 8.516 -39.395 1.00 0.00 C ATOM 133 NE ARG A 9 -2.502 9.574 -38.470 1.00 0.00 N ATOM 134 CZ ARG A 9 -3.432 10.478 -38.771 1.00 0.00 C ATOM 135 NH1 ARG A 9 -4.066 10.460 -39.913 1.00 0.00 N ATOM 136 NH2 ARG A 9 -3.731 11.399 -37.897 1.00 0.00 N ATOM 0 H ARG A 9 -1.981 4.695 -39.025 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.685 5.740 -36.737 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.280 6.463 -38.175 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.605 7.428 -36.877 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.513 7.774 -38.136 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.020 6.647 -39.378 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.455 8.928 -40.166 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.988 8.122 -39.900 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.049 9.622 -37.558 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.853 9.740 -40.603 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.774 11.166 -40.115 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.254 11.421 -36.996 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.442 12.098 -38.115 1.00 0.00 H new ATOM 150 N LEU A 10 -3.586 4.264 -36.248 1.00 0.00 N ATOM 151 CA LEU A 10 -4.482 3.662 -35.267 1.00 0.00 C ATOM 152 C LEU A 10 -3.759 2.619 -34.422 1.00 0.00 C ATOM 153 O LEU A 10 -4.001 2.516 -33.220 1.00 0.00 O ATOM 154 CB LEU A 10 -5.704 3.011 -35.921 1.00 0.00 C ATOM 155 CG LEU A 10 -6.875 3.992 -36.005 1.00 0.00 C ATOM 156 CD1 LEU A 10 -6.613 5.037 -37.091 1.00 0.00 C ATOM 157 CD2 LEU A 10 -8.161 3.225 -36.321 1.00 0.00 C ATOM 0 H LEU A 10 -3.870 4.102 -37.214 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.822 4.477 -34.628 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.443 2.665 -36.921 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.002 2.133 -35.348 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.982 4.502 -35.048 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.454 5.729 -37.141 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.703 5.588 -36.854 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.495 4.540 -38.054 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.996 3.923 -36.381 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.051 2.708 -37.274 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.353 2.497 -35.533 1.00 0.00 H new ATOM 169 N ARG A 11 -2.873 1.847 -35.050 1.00 0.00 N ATOM 170 CA ARG A 11 -2.110 0.819 -34.353 1.00 0.00 C ATOM 171 C ARG A 11 -1.201 1.412 -33.281 1.00 0.00 C ATOM 172 O ARG A 11 -1.102 0.882 -32.174 1.00 0.00 O ATOM 173 CB ARG A 11 -1.264 0.015 -35.343 1.00 0.00 C ATOM 174 CG ARG A 11 -2.162 -0.914 -36.162 1.00 0.00 C ATOM 175 CD ARG A 11 -1.291 -1.804 -37.049 1.00 0.00 C ATOM 176 NE ARG A 11 -2.140 -2.644 -37.890 1.00 0.00 N ATOM 177 CZ ARG A 11 -2.593 -2.253 -39.079 1.00 0.00 C ATOM 178 NH1 ARG A 11 -2.313 -1.078 -39.576 1.00 0.00 N ATOM 179 NH2 ARG A 11 -3.354 -3.061 -39.766 1.00 0.00 N ATOM 0 H ARG A 11 -2.667 1.917 -36.047 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.831 0.163 -33.866 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.724 0.691 -36.006 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.516 -0.568 -34.806 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.772 -1.527 -35.499 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.847 -0.329 -36.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.641 -1.189 -37.671 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.644 -2.427 -36.432 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.397 -3.571 -37.551 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.730 -0.427 -39.049 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.677 -0.811 -40.491 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.594 -3.978 -39.390 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.709 -2.775 -40.679 1.00 0.00 H new ATOM 193 N ARG A 12 -0.548 2.521 -33.609 1.00 0.00 N ATOM 194 CA ARG A 12 0.342 3.194 -32.669 1.00 0.00 C ATOM 195 C ARG A 12 -0.430 3.697 -31.452 1.00 0.00 C ATOM 196 O ARG A 12 0.048 3.606 -30.320 1.00 0.00 O ATOM 197 CB ARG A 12 1.042 4.370 -33.353 1.00 0.00 C ATOM 198 CG ARG A 12 2.127 4.933 -32.434 1.00 0.00 C ATOM 199 CD ARG A 12 3.345 4.005 -32.447 1.00 0.00 C ATOM 200 NE ARG A 12 4.393 4.564 -31.602 1.00 0.00 N ATOM 201 CZ ARG A 12 5.174 5.568 -31.996 1.00 0.00 C ATOM 202 NH1 ARG A 12 5.036 6.123 -33.170 1.00 0.00 N ATOM 203 NH2 ARG A 12 6.092 6.016 -31.185 1.00 0.00 N ATOM 0 H ARG A 12 -0.618 2.974 -34.520 1.00 0.00 H new ATOM 0 HA ARG A 12 1.088 2.472 -32.336 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.483 4.044 -34.295 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.316 5.147 -33.593 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.415 5.931 -32.764 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.743 5.031 -31.419 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.064 3.015 -32.089 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.712 3.883 -33.466 1.00 0.00 H new ATOM 0 HE ARG A 12 4.534 4.170 -30.672 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.316 5.789 -33.811 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.648 6.891 -33.446 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.205 5.598 -30.262 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.697 6.785 -31.474 1.00 0.00 H new ATOM 217 N ILE A 13 -1.610 4.248 -31.712 1.00 0.00 N ATOM 218 CA ILE A 13 -2.426 4.795 -30.633 1.00 0.00 C ATOM 219 C ILE A 13 -2.802 3.687 -29.656 1.00 0.00 C ATOM 220 O ILE A 13 -2.756 3.888 -28.443 1.00 0.00 O ATOM 221 CB ILE A 13 -3.697 5.436 -31.199 1.00 0.00 C ATOM 222 CG1 ILE A 13 -3.319 6.662 -32.035 1.00 0.00 C ATOM 223 CG2 ILE A 13 -4.620 5.877 -30.057 1.00 0.00 C ATOM 224 CD1 ILE A 13 -4.514 7.100 -32.884 1.00 0.00 C ATOM 0 H ILE A 13 -2.018 4.328 -32.643 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.849 5.558 -30.111 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.215 4.705 -31.820 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.008 7.477 -31.382 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.471 6.427 -32.678 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.520 6.331 -30.471 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.895 5.010 -29.456 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.102 6.604 -29.431 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.239 7.973 -33.477 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.805 6.287 -33.549 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.350 7.353 -32.232 1.00 0.00 H new ATOM 236 N GLN A 14 -3.185 2.525 -30.176 1.00 0.00 N ATOM 237 CA GLN A 14 -3.583 1.394 -29.347 1.00 0.00 C ATOM 238 C GLN A 14 -2.426 0.943 -28.462 1.00 0.00 C ATOM 239 O GLN A 14 -2.634 0.631 -27.289 1.00 0.00 O ATOM 240 CB GLN A 14 -4.038 0.227 -30.226 1.00 0.00 C ATOM 241 CG GLN A 14 -4.645 -0.873 -29.352 1.00 0.00 C ATOM 242 CD GLN A 14 -5.104 -2.042 -30.216 1.00 0.00 C ATOM 243 OE1 GLN A 14 -4.392 -2.459 -31.129 1.00 0.00 O ATOM 244 NE2 GLN A 14 -6.260 -2.599 -29.980 1.00 0.00 N ATOM 0 H GLN A 14 -3.228 2.342 -31.179 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.410 1.712 -28.713 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.772 0.572 -30.954 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.192 -0.168 -30.789 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.909 -1.216 -28.625 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.489 -0.475 -28.788 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.848 -2.252 -29.223 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.575 -3.382 -30.553 1.00 0.00 H new ATOM 253 N GLU A 15 -1.210 0.928 -29.004 1.00 0.00 N ATOM 254 CA GLU A 15 -0.020 0.533 -28.258 1.00 0.00 C ATOM 255 C GLU A 15 0.260 1.488 -27.100 1.00 0.00 C ATOM 256 O GLU A 15 0.617 1.060 -26.001 1.00 0.00 O ATOM 257 CB GLU A 15 1.194 0.521 -29.193 1.00 0.00 C ATOM 258 CG GLU A 15 2.420 -0.036 -28.464 1.00 0.00 C ATOM 259 CD GLU A 15 3.692 0.275 -29.245 1.00 0.00 C ATOM 260 OE1 GLU A 15 3.782 -0.137 -30.390 1.00 0.00 O ATOM 261 OE2 GLU A 15 4.553 0.932 -28.683 1.00 0.00 O ATOM 0 H GLU A 15 -1.023 1.189 -29.972 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.199 -0.462 -27.851 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.978 -0.086 -30.072 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.400 1.532 -29.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.484 0.396 -27.465 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.317 -1.114 -28.339 1.00 0.00 H new ATOM 268 N GLU A 16 0.109 2.781 -27.366 1.00 0.00 N ATOM 269 CA GLU A 16 0.369 3.784 -26.339 1.00 0.00 C ATOM 270 C GLU A 16 -0.593 3.612 -25.170 1.00 0.00 C ATOM 271 O GLU A 16 -0.194 3.709 -24.009 1.00 0.00 O ATOM 272 CB GLU A 16 0.225 5.191 -26.923 1.00 0.00 C ATOM 273 CG GLU A 16 1.352 5.442 -27.927 1.00 0.00 C ATOM 274 CD GLU A 16 1.203 6.825 -28.555 1.00 0.00 C ATOM 275 OE1 GLU A 16 2.209 7.502 -28.684 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.090 7.183 -28.906 1.00 0.00 O ATOM 0 H GLU A 16 -0.187 3.155 -28.268 1.00 0.00 H new ATOM 0 HA GLU A 16 1.389 3.650 -25.980 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.743 5.296 -27.413 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.261 5.933 -26.126 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.318 5.364 -27.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.333 4.678 -28.704 1.00 0.00 H new ATOM 283 N MET A 17 -1.857 3.358 -25.489 1.00 0.00 N ATOM 284 CA MET A 17 -2.890 3.180 -24.475 1.00 0.00 C ATOM 285 C MET A 17 -2.582 1.985 -23.581 1.00 0.00 C ATOM 286 O MET A 17 -2.794 2.045 -22.370 1.00 0.00 O ATOM 287 CB MET A 17 -4.257 2.977 -25.131 1.00 0.00 C ATOM 288 CG MET A 17 -4.724 4.288 -25.766 1.00 0.00 C ATOM 289 SD MET A 17 -6.328 4.030 -26.563 1.00 0.00 S ATOM 290 CE MET A 17 -6.467 5.663 -27.331 1.00 0.00 C ATOM 0 H MET A 17 -2.193 3.270 -26.448 1.00 0.00 H new ATOM 0 HA MET A 17 -2.909 4.083 -23.865 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.195 2.196 -25.889 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.982 2.643 -24.388 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.804 5.065 -25.006 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.993 4.632 -26.498 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.852 5.557 -28.345 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.148 6.283 -26.747 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.485 6.134 -27.364 1.00 0.00 H new ATOM 300 N GLU A 18 -2.092 0.901 -24.173 1.00 0.00 N ATOM 301 CA GLU A 18 -1.760 -0.304 -23.424 1.00 0.00 C ATOM 302 C GLU A 18 -0.657 -0.017 -22.408 1.00 0.00 C ATOM 303 O GLU A 18 -0.731 -0.466 -21.264 1.00 0.00 O ATOM 304 CB GLU A 18 -1.299 -1.395 -24.394 1.00 0.00 C ATOM 305 CG GLU A 18 -1.154 -2.721 -23.644 1.00 0.00 C ATOM 306 CD GLU A 18 -0.674 -3.814 -24.593 1.00 0.00 C ATOM 307 OE1 GLU A 18 -1.257 -4.885 -24.570 1.00 0.00 O ATOM 308 OE2 GLU A 18 0.274 -3.564 -25.319 1.00 0.00 O ATOM 0 H GLU A 18 -1.915 0.833 -25.175 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.647 -0.641 -22.887 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.018 -1.502 -25.206 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.347 -1.115 -24.846 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.447 -2.607 -22.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.110 -3.005 -23.205 1.00 0.00 H new ATOM 315 N LYS A 19 0.355 0.739 -22.827 1.00 0.00 N ATOM 316 CA LYS A 19 1.457 1.079 -21.935 1.00 0.00 C ATOM 317 C LYS A 19 0.948 1.897 -20.752 1.00 0.00 C ATOM 318 O LYS A 19 1.329 1.650 -19.608 1.00 0.00 O ATOM 319 CB LYS A 19 2.518 1.877 -22.695 1.00 0.00 C ATOM 320 CG LYS A 19 3.267 0.942 -23.648 1.00 0.00 C ATOM 321 CD LYS A 19 4.339 1.713 -24.421 1.00 0.00 C ATOM 322 CE LYS A 19 3.702 2.513 -25.561 1.00 0.00 C ATOM 323 NZ LYS A 19 4.718 2.770 -26.621 1.00 0.00 N ATOM 0 H LYS A 19 0.434 1.124 -23.768 1.00 0.00 H new ATOM 0 HA LYS A 19 1.900 0.156 -21.562 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.049 2.686 -23.255 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.216 2.336 -21.994 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.729 0.132 -23.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.565 0.485 -24.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.869 2.386 -23.747 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.077 1.019 -24.823 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.858 1.963 -25.978 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.311 3.457 -25.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.682 3.771 -26.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.666 2.547 -26.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.516 2.172 -27.448 1.00 0.00 H new ATOM 337 N GLU A 20 0.064 2.847 -21.040 1.00 0.00 N ATOM 338 CA GLU A 20 -0.519 3.683 -19.996 1.00 0.00 C ATOM 339 C GLU A 20 -1.326 2.824 -19.028 1.00 0.00 C ATOM 340 O GLU A 20 -1.258 3.014 -17.812 1.00 0.00 O ATOM 341 CB GLU A 20 -1.408 4.766 -20.612 1.00 0.00 C ATOM 342 CG GLU A 20 -0.541 5.781 -21.362 1.00 0.00 C ATOM 343 CD GLU A 20 0.401 6.497 -20.398 1.00 0.00 C ATOM 344 OE1 GLU A 20 1.590 6.510 -20.666 1.00 0.00 O ATOM 345 OE2 GLU A 20 -0.081 7.010 -19.402 1.00 0.00 O ATOM 0 H GLU A 20 -0.263 3.057 -21.983 1.00 0.00 H new ATOM 0 HA GLU A 20 0.287 4.170 -19.447 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.128 4.314 -21.294 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.980 5.268 -19.832 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.037 5.274 -22.134 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.177 6.509 -21.866 1.00 0.00 H new ATOM 352 N ARG A 21 -2.080 1.880 -19.582 1.00 0.00 N ATOM 353 CA ARG A 21 -2.895 0.994 -18.759 1.00 0.00 C ATOM 354 C ARG A 21 -2.011 0.171 -17.829 1.00 0.00 C ATOM 355 O ARG A 21 -2.323 0.028 -16.647 1.00 0.00 O ATOM 356 CB ARG A 21 -3.727 0.064 -19.643 1.00 0.00 C ATOM 357 CG ARG A 21 -4.896 0.842 -20.249 1.00 0.00 C ATOM 358 CD ARG A 21 -5.727 -0.092 -21.131 1.00 0.00 C ATOM 359 NE ARG A 21 -5.033 -0.385 -22.381 1.00 0.00 N ATOM 360 CZ ARG A 21 -5.364 -1.406 -23.168 1.00 0.00 C ATOM 361 NH1 ARG A 21 -6.335 -2.224 -22.856 1.00 0.00 N ATOM 362 NH2 ARG A 21 -4.708 -1.600 -24.279 1.00 0.00 N ATOM 0 H ARG A 21 -2.144 1.710 -20.586 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.568 1.605 -18.157 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.105 -0.354 -20.435 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.101 -0.775 -19.055 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.517 1.261 -19.457 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.523 1.680 -20.838 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.928 -1.020 -20.596 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.692 0.367 -21.346 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.261 0.219 -22.664 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.859 -2.087 -21.992 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.568 -2.999 -23.477 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.948 -0.972 -24.539 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.955 -2.380 -24.888 1.00 0.00 H new ATOM 376 N LYS A 22 -0.897 -0.333 -18.352 1.00 0.00 N ATOM 377 CA LYS A 22 0.042 -1.113 -17.553 1.00 0.00 C ATOM 378 C LYS A 22 0.626 -0.268 -16.426 1.00 0.00 C ATOM 379 O LYS A 22 0.766 -0.737 -15.295 1.00 0.00 O ATOM 380 CB LYS A 22 1.169 -1.655 -18.434 1.00 0.00 C ATOM 381 CG LYS A 22 0.624 -2.759 -19.342 1.00 0.00 C ATOM 382 CD LYS A 22 1.761 -3.325 -20.196 1.00 0.00 C ATOM 383 CE LYS A 22 1.224 -4.435 -21.101 1.00 0.00 C ATOM 384 NZ LYS A 22 0.771 -5.584 -20.265 1.00 0.00 N ATOM 0 H LYS A 22 -0.622 -0.215 -19.327 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.501 -1.950 -17.115 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.593 -0.851 -19.036 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.974 -2.046 -17.812 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.177 -3.551 -18.741 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.163 -2.362 -19.983 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.204 -2.533 -20.800 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.551 -3.716 -19.554 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.395 -4.060 -21.702 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.999 -4.760 -21.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.712 -6.440 -20.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.450 -5.741 -19.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.166 -5.374 -19.865 1.00 0.00 H new ATOM 398 N ARG A 23 0.966 0.975 -16.750 1.00 0.00 N ATOM 399 CA ARG A 23 1.542 1.882 -15.764 1.00 0.00 C ATOM 400 C ARG A 23 0.549 2.122 -14.632 1.00 0.00 C ATOM 401 O ARG A 23 0.925 2.118 -13.459 1.00 0.00 O ATOM 402 CB ARG A 23 1.887 3.211 -16.439 1.00 0.00 C ATOM 403 CG ARG A 23 2.693 4.078 -15.470 1.00 0.00 C ATOM 404 CD ARG A 23 2.930 5.463 -16.077 1.00 0.00 C ATOM 405 NE ARG A 23 3.801 6.239 -15.200 1.00 0.00 N ATOM 406 CZ ARG A 23 3.393 6.735 -14.035 1.00 0.00 C ATOM 407 NH1 ARG A 23 2.177 6.538 -13.598 1.00 0.00 N ATOM 408 NH2 ARG A 23 4.226 7.424 -13.303 1.00 0.00 N ATOM 0 H ARG A 23 0.854 1.375 -17.681 1.00 0.00 H new ATOM 0 HA ARG A 23 2.447 1.437 -15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.461 3.032 -17.348 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.975 3.729 -16.735 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.159 4.173 -14.525 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.648 3.600 -15.250 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.383 5.366 -17.064 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.980 5.979 -16.212 1.00 0.00 H new ATOM 0 HE ARG A 23 4.763 6.408 -15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.517 5.994 -14.154 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.888 6.929 -12.701 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.181 7.578 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.922 7.808 -12.408 1.00 0.00 H new ATOM 422 N ARG A 24 -0.715 2.311 -14.995 1.00 0.00 N ATOM 423 CA ARG A 24 -1.751 2.535 -13.993 1.00 0.00 C ATOM 424 C ARG A 24 -1.885 1.315 -13.087 1.00 0.00 C ATOM 425 O ARG A 24 -2.011 1.448 -11.870 1.00 0.00 O ATOM 426 CB ARG A 24 -3.087 2.805 -14.689 1.00 0.00 C ATOM 427 CG ARG A 24 -3.037 4.152 -15.415 1.00 0.00 C ATOM 428 CD ARG A 24 -3.175 5.301 -14.414 1.00 0.00 C ATOM 429 NE ARG A 24 -4.517 5.326 -13.838 1.00 0.00 N ATOM 430 CZ ARG A 24 -4.906 6.240 -12.952 1.00 0.00 C ATOM 431 NH1 ARG A 24 -4.097 7.181 -12.540 1.00 0.00 N ATOM 432 NH2 ARG A 24 -6.121 6.199 -12.480 1.00 0.00 N ATOM 0 H ARG A 24 -1.044 2.314 -15.960 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.473 3.396 -13.386 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.304 2.007 -15.400 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.894 2.807 -13.956 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.097 4.245 -15.958 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.838 4.205 -16.152 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.436 5.190 -13.621 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.969 6.249 -14.911 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.185 4.612 -14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.143 7.227 -12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.420 7.870 -11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.764 5.471 -12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.428 6.895 -11.801 1.00 0.00 H new ATOM 446 N GLU A 25 -1.849 0.135 -13.699 1.00 0.00 N ATOM 447 CA GLU A 25 -1.965 -1.104 -12.939 1.00 0.00 C ATOM 448 C GLU A 25 -0.800 -1.231 -11.964 1.00 0.00 C ATOM 449 O GLU A 25 -0.990 -1.610 -10.808 1.00 0.00 O ATOM 450 CB GLU A 25 -1.975 -2.301 -13.892 1.00 0.00 C ATOM 451 CG GLU A 25 -3.280 -2.316 -14.691 1.00 0.00 C ATOM 452 CD GLU A 25 -3.251 -3.430 -15.733 1.00 0.00 C ATOM 453 OE1 GLU A 25 -4.256 -4.109 -15.871 1.00 0.00 O ATOM 454 OE2 GLU A 25 -2.236 -3.578 -16.393 1.00 0.00 O ATOM 0 H GLU A 25 -1.742 0.011 -14.706 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.898 -1.086 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.123 -2.245 -14.570 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.873 -3.228 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.125 -2.461 -14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.425 -1.354 -15.182 1.00 0.00 H new ATOM 461 N GLU A 26 0.397 -0.896 -12.439 1.00 0.00 N ATOM 462 CA GLU A 26 1.584 -0.970 -11.596 1.00 0.00 C ATOM 463 C GLU A 26 1.447 -0.006 -10.421 1.00 0.00 C ATOM 464 O GLU A 26 1.750 -0.361 -9.280 1.00 0.00 O ATOM 465 CB GLU A 26 2.829 -0.609 -12.412 1.00 0.00 C ATOM 466 CG GLU A 26 4.085 -0.843 -11.570 1.00 0.00 C ATOM 467 CD GLU A 26 4.308 -2.331 -11.314 1.00 0.00 C ATOM 468 OE1 GLU A 26 3.876 -3.138 -12.121 1.00 0.00 O ATOM 469 OE2 GLU A 26 4.909 -2.645 -10.300 1.00 0.00 O ATOM 0 H GLU A 26 0.569 -0.575 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 26 1.685 -1.987 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.869 -1.214 -13.318 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.780 0.434 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.952 -0.425 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.992 -0.318 -10.620 1.00 0.00 H new ATOM 476 N ASP A 27 0.965 1.201 -10.703 1.00 0.00 N ATOM 477 CA ASP A 27 0.765 2.213 -9.671 1.00 0.00 C ATOM 478 C ASP A 27 -0.268 1.739 -8.653 1.00 0.00 C ATOM 479 O ASP A 27 -0.091 1.925 -7.449 1.00 0.00 O ATOM 480 CB ASP A 27 0.313 3.533 -10.303 1.00 0.00 C ATOM 481 CG ASP A 27 1.493 4.372 -10.787 1.00 0.00 C ATOM 482 OD1 ASP A 27 2.628 4.008 -10.526 1.00 0.00 O ATOM 483 OD2 ASP A 27 1.243 5.388 -11.416 1.00 0.00 O ATOM 0 H ASP A 27 0.705 1.503 -11.642 1.00 0.00 H new ATOM 0 HA ASP A 27 1.713 2.375 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.351 3.324 -11.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.263 4.104 -9.575 1.00 0.00 H new ATOM 488 N GLU A 28 -1.335 1.127 -9.154 1.00 0.00 N ATOM 489 CA GLU A 28 -2.390 0.630 -8.276 1.00 0.00 C ATOM 490 C GLU A 28 -1.833 -0.440 -7.344 1.00 0.00 C ATOM 491 O GLU A 28 -2.128 -0.442 -6.148 1.00 0.00 O ATOM 492 CB GLU A 28 -3.535 0.052 -9.110 1.00 0.00 C ATOM 493 CG GLU A 28 -4.742 -0.257 -8.218 1.00 0.00 C ATOM 494 CD GLU A 28 -4.583 -1.601 -7.512 1.00 0.00 C ATOM 495 OE1 GLU A 28 -5.236 -1.787 -6.500 1.00 0.00 O ATOM 496 OE2 GLU A 28 -3.832 -2.435 -7.989 1.00 0.00 O ATOM 0 H GLU A 28 -1.493 0.964 -10.149 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.770 1.457 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.821 0.761 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.204 -0.857 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.860 0.533 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.650 -0.266 -8.822 1.00 0.00 H new ATOM 503 N GLN A 29 -1.016 -1.332 -7.895 1.00 0.00 N ATOM 504 CA GLN A 29 -0.421 -2.400 -7.097 1.00 0.00 C ATOM 505 C GLN A 29 0.466 -1.803 -6.010 1.00 0.00 C ATOM 506 O GLN A 29 0.435 -2.253 -4.864 1.00 0.00 O ATOM 507 CB GLN A 29 0.404 -3.326 -7.995 1.00 0.00 C ATOM 508 CG GLN A 29 0.907 -4.525 -7.189 1.00 0.00 C ATOM 509 CD GLN A 29 1.614 -5.521 -8.103 1.00 0.00 C ATOM 510 OE1 GLN A 29 1.199 -5.726 -9.243 1.00 0.00 O ATOM 511 NE2 GLN A 29 2.674 -6.147 -7.671 1.00 0.00 N ATOM 0 H GLN A 29 -0.752 -1.338 -8.880 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.217 -2.979 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.203 -3.669 -8.833 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.248 -2.780 -8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.591 -4.187 -6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.070 -5.012 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.017 -5.976 -6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.159 -6.807 -8.278 1.00 0.00 H new ATOM 520 N ARG A 30 1.243 -0.788 -6.377 1.00 0.00 N ATOM 521 CA ARG A 30 2.129 -0.140 -5.419 1.00 0.00 C ATOM 522 C ARG A 30 1.322 0.503 -4.296 1.00 0.00 C ATOM 523 O ARG A 30 1.686 0.396 -3.124 1.00 0.00 O ATOM 524 CB ARG A 30 2.985 0.923 -6.112 1.00 0.00 C ATOM 525 CG ARG A 30 4.023 0.235 -7.001 1.00 0.00 C ATOM 526 CD ARG A 30 5.135 1.225 -7.348 1.00 0.00 C ATOM 527 NE ARG A 30 4.646 2.318 -8.182 1.00 0.00 N ATOM 528 CZ ARG A 30 5.390 3.382 -8.474 1.00 0.00 C ATOM 529 NH1 ARG A 30 6.610 3.511 -8.022 1.00 0.00 N ATOM 530 NH2 ARG A 30 4.896 4.321 -9.234 1.00 0.00 N ATOM 0 H ARG A 30 1.277 -0.401 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 30 2.784 -0.901 -4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.355 1.580 -6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.482 1.547 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.440 -0.631 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.551 -0.132 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.560 1.630 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.938 0.702 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 30 3.698 2.264 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.014 2.785 -7.430 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.158 4.337 -8.262 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.947 4.236 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.459 5.140 -9.463 1.00 0.00 H new ATOM 544 N ARG A 31 0.223 1.152 -4.668 1.00 0.00 N ATOM 545 CA ARG A 31 -0.636 1.797 -3.682 1.00 0.00 C ATOM 546 C ARG A 31 -1.217 0.762 -2.727 1.00 0.00 C ATOM 547 O ARG A 31 -1.271 0.988 -1.517 1.00 0.00 O ATOM 548 CB ARG A 31 -1.766 2.550 -4.386 1.00 0.00 C ATOM 549 CG ARG A 31 -1.194 3.784 -5.085 1.00 0.00 C ATOM 550 CD ARG A 31 -2.338 4.535 -5.769 1.00 0.00 C ATOM 551 NE ARG A 31 -1.859 5.749 -6.422 1.00 0.00 N ATOM 552 CZ ARG A 31 -2.680 6.704 -6.854 1.00 0.00 C ATOM 553 NH1 ARG A 31 -3.975 6.608 -6.720 1.00 0.00 N ATOM 554 NH2 ARG A 31 -2.180 7.767 -7.425 1.00 0.00 N ATOM 0 H ARG A 31 -0.091 1.245 -5.634 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.038 2.505 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.254 1.900 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.526 2.847 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.696 4.431 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.444 3.489 -5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.813 3.886 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.099 4.792 -5.032 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.855 5.871 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.382 5.786 -6.275 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.580 7.355 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.170 7.859 -7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.799 8.505 -7.760 1.00 0.00 H new ATOM 568 N ARG A 32 -1.640 -0.369 -3.282 1.00 0.00 N ATOM 569 CA ARG A 32 -2.215 -1.427 -2.460 1.00 0.00 C ATOM 570 C ARG A 32 -1.175 -1.939 -1.468 1.00 0.00 C ATOM 571 O ARG A 32 -1.475 -2.126 -0.288 1.00 0.00 O ATOM 572 CB ARG A 32 -2.687 -2.568 -3.362 1.00 0.00 C ATOM 573 CG ARG A 32 -3.531 -3.552 -2.548 1.00 0.00 C ATOM 574 CD ARG A 32 -4.186 -4.568 -3.487 1.00 0.00 C ATOM 575 NE ARG A 32 -5.087 -3.872 -4.401 1.00 0.00 N ATOM 576 CZ ARG A 32 -6.304 -3.466 -4.051 1.00 0.00 C ATOM 577 NH1 ARG A 32 -6.774 -3.654 -2.848 1.00 0.00 N ATOM 578 NH2 ARG A 32 -7.037 -2.835 -4.928 1.00 0.00 N ATOM 0 H ARG A 32 -1.597 -0.575 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.065 -1.033 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.272 -2.171 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.829 -3.081 -3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.905 -4.067 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.296 -3.014 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.422 -5.105 -4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.737 -5.310 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.768 -3.689 -5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.203 -4.124 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.712 -3.331 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.674 -2.660 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.973 -2.517 -4.676 1.00 0.00 H new ATOM 592 N LYS A 33 0.048 -2.134 -1.952 1.00 0.00 N ATOM 593 CA LYS A 33 1.136 -2.603 -1.102 1.00 0.00 C ATOM 594 C LYS A 33 1.415 -1.585 0.000 1.00 0.00 C ATOM 595 O LYS A 33 1.636 -1.958 1.153 1.00 0.00 O ATOM 596 CB LYS A 33 2.406 -2.825 -1.930 1.00 0.00 C ATOM 597 CG LYS A 33 3.505 -3.422 -1.048 1.00 0.00 C ATOM 598 CD LYS A 33 4.769 -3.658 -1.878 1.00 0.00 C ATOM 599 CE LYS A 33 5.852 -4.272 -0.988 1.00 0.00 C ATOM 600 NZ LYS A 33 6.261 -3.288 0.054 1.00 0.00 N ATOM 0 H LYS A 33 0.309 -1.975 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 33 0.838 -3.550 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.194 -3.493 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.743 -1.880 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.724 -2.749 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.164 -4.362 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.550 -4.322 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.121 -2.717 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.478 -5.181 -0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.714 -4.557 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.187 -3.558 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.326 -2.341 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.555 -3.278 0.818 1.00 0.00 H new ATOM 614 N GLU A 34 1.417 -0.309 -0.372 1.00 0.00 N ATOM 615 CA GLU A 34 1.689 0.761 0.582 1.00 0.00 C ATOM 616 C GLU A 34 0.629 0.766 1.680 1.00 0.00 C ATOM 617 O GLU A 34 0.956 0.903 2.859 1.00 0.00 O ATOM 618 CB GLU A 34 1.686 2.113 -0.137 1.00 0.00 C ATOM 619 CG GLU A 34 2.038 3.243 0.837 1.00 0.00 C ATOM 620 CD GLU A 34 2.003 4.615 0.169 1.00 0.00 C ATOM 621 OE1 GLU A 34 1.531 4.720 -0.952 1.00 0.00 O ATOM 622 OE2 GLU A 34 2.441 5.558 0.806 1.00 0.00 O ATOM 0 H GLU A 34 1.234 0.009 -1.324 1.00 0.00 H new ATOM 0 HA GLU A 34 2.668 0.591 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.403 2.096 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.705 2.296 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.339 3.230 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.031 3.068 1.250 1.00 0.00 H new ATOM 629 N GLU A 35 -0.632 0.592 1.291 1.00 0.00 N ATOM 630 CA GLU A 35 -1.735 0.560 2.244 1.00 0.00 C ATOM 631 C GLU A 35 -1.589 -0.619 3.203 1.00 0.00 C ATOM 632 O GLU A 35 -1.812 -0.483 4.406 1.00 0.00 O ATOM 633 CB GLU A 35 -3.069 0.445 1.502 1.00 0.00 C ATOM 634 CG GLU A 35 -3.367 1.745 0.750 1.00 0.00 C ATOM 635 CD GLU A 35 -4.626 1.632 -0.106 1.00 0.00 C ATOM 636 OE1 GLU A 35 -5.311 0.625 -0.029 1.00 0.00 O ATOM 637 OE2 GLU A 35 -4.891 2.568 -0.841 1.00 0.00 O ATOM 0 H GLU A 35 -0.914 0.471 0.318 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.713 1.487 2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.034 -0.389 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.871 0.233 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.486 2.559 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.518 2.000 0.115 1.00 0.00 H new ATOM 644 N GLU A 36 -1.202 -1.763 2.647 1.00 0.00 N ATOM 645 CA GLU A 36 -1.016 -2.968 3.449 1.00 0.00 C ATOM 646 C GLU A 36 0.098 -2.756 4.469 1.00 0.00 C ATOM 647 O GLU A 36 -0.033 -3.139 5.632 1.00 0.00 O ATOM 648 CB GLU A 36 -0.682 -4.164 2.556 1.00 0.00 C ATOM 649 CG GLU A 36 -1.917 -4.561 1.744 1.00 0.00 C ATOM 650 CD GLU A 36 -1.580 -5.690 0.776 1.00 0.00 C ATOM 651 OE1 GLU A 36 -0.526 -5.631 0.164 1.00 0.00 O ATOM 652 OE2 GLU A 36 -2.383 -6.601 0.662 1.00 0.00 O ATOM 0 H GLU A 36 -1.012 -1.881 1.652 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.947 -3.175 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.140 -3.912 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.350 -5.004 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.715 -4.876 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.288 -3.698 1.191 1.00 0.00 H new ATOM 659 N GLU A 37 1.185 -2.138 4.019 1.00 0.00 N ATOM 660 CA GLU A 37 2.321 -1.872 4.892 1.00 0.00 C ATOM 661 C GLU A 37 1.904 -0.937 6.023 1.00 0.00 C ATOM 662 O GLU A 37 2.289 -1.141 7.175 1.00 0.00 O ATOM 663 CB GLU A 37 3.467 -1.254 4.086 1.00 0.00 C ATOM 664 CG GLU A 37 4.731 -1.203 4.947 1.00 0.00 C ATOM 665 CD GLU A 37 5.919 -0.728 4.118 1.00 0.00 C ATOM 666 OE1 GLU A 37 6.134 -1.284 3.054 1.00 0.00 O ATOM 667 OE2 GLU A 37 6.602 0.177 4.569 1.00 0.00 O ATOM 0 H GLU A 37 1.303 -1.813 3.059 1.00 0.00 H new ATOM 0 HA GLU A 37 2.664 -2.812 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.651 -1.842 3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.196 -0.250 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.577 -0.531 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.938 -2.191 5.359 1.00 0.00 H new ATOM 674 N ARG A 38 1.124 0.086 5.682 1.00 0.00 N ATOM 675 CA ARG A 38 0.676 1.043 6.687 1.00 0.00 C ATOM 676 C ARG A 38 -0.175 0.327 7.730 1.00 0.00 C ATOM 677 O ARG A 38 -0.019 0.561 8.930 1.00 0.00 O ATOM 678 CB ARG A 38 -0.141 2.145 6.010 1.00 0.00 C ATOM 679 CG ARG A 38 -0.347 3.297 6.994 1.00 0.00 C ATOM 680 CD ARG A 38 -1.101 4.431 6.295 1.00 0.00 C ATOM 681 NE ARG A 38 -0.329 4.965 5.177 1.00 0.00 N ATOM 682 CZ ARG A 38 -0.857 5.767 4.254 1.00 0.00 C ATOM 683 NH1 ARG A 38 -2.111 6.128 4.299 1.00 0.00 N ATOM 684 NH2 ARG A 38 -0.108 6.198 3.276 1.00 0.00 N ATOM 0 H ARG A 38 0.794 0.271 4.735 1.00 0.00 H new ATOM 0 HA ARG A 38 1.540 1.489 7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.375 2.501 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.104 1.752 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.909 2.953 7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.616 3.656 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.062 4.065 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.310 5.227 7.009 1.00 0.00 H new ATOM 0 HE ARG A 38 0.656 4.713 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.711 5.795 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.491 6.743 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.872 5.920 3.224 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.503 6.813 2.564 1.00 0.00 H new ATOM 698 N ARG A 39 -1.073 -0.539 7.266 1.00 0.00 N ATOM 699 CA ARG A 39 -1.940 -1.268 8.185 1.00 0.00 C ATOM 700 C ARG A 39 -1.098 -2.125 9.125 1.00 0.00 C ATOM 701 O ARG A 39 -1.382 -2.193 10.320 1.00 0.00 O ATOM 702 CB ARG A 39 -2.894 -2.168 7.398 1.00 0.00 C ATOM 703 CG ARG A 39 -3.787 -2.958 8.359 1.00 0.00 C ATOM 704 CD ARG A 39 -4.699 -3.879 7.548 1.00 0.00 C ATOM 705 NE ARG A 39 -5.445 -4.770 8.431 1.00 0.00 N ATOM 706 CZ ARG A 39 -6.447 -5.531 7.998 1.00 0.00 C ATOM 707 NH1 ARG A 39 -6.822 -5.521 6.747 1.00 0.00 N ATOM 708 NH2 ARG A 39 -7.065 -6.313 8.841 1.00 0.00 N ATOM 0 H ARG A 39 -1.217 -0.750 6.279 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.517 -0.550 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.509 -1.564 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.325 -2.854 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.176 -3.543 9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.383 -2.276 8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.392 -3.283 6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.103 -4.466 6.849 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.189 -4.811 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.344 -4.920 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.593 -6.114 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.778 -6.336 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.835 -6.901 8.521 1.00 0.00 H new ATOM 722 N MET A 40 -0.078 -2.779 8.579 1.00 0.00 N ATOM 723 CA MET A 40 0.778 -3.641 9.386 1.00 0.00 C ATOM 724 C MET A 40 1.457 -2.814 10.475 1.00 0.00 C ATOM 725 O MET A 40 1.537 -3.247 11.625 1.00 0.00 O ATOM 726 CB MET A 40 1.838 -4.298 8.500 1.00 0.00 C ATOM 727 CG MET A 40 2.681 -5.279 9.320 1.00 0.00 C ATOM 728 SD MET A 40 3.934 -6.038 8.259 1.00 0.00 S ATOM 729 CE MET A 40 2.801 -7.052 7.277 1.00 0.00 C ATOM 0 H MET A 40 0.174 -2.730 7.592 1.00 0.00 H new ATOM 0 HA MET A 40 0.170 -4.418 9.849 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.357 -4.823 7.674 1.00 0.00 H new ATOM 0 HB3 MET A 40 2.480 -3.534 8.062 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.160 -4.758 10.149 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.042 -6.049 9.753 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.234 -8.042 7.129 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.850 -7.146 7.801 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.636 -6.580 6.309 1.00 0.00 H new ATOM 739 N LYS A 41 1.923 -1.625 10.110 1.00 0.00 N ATOM 740 CA LYS A 41 2.576 -0.743 11.070 1.00 0.00 C ATOM 741 C LYS A 41 1.606 -0.349 12.179 1.00 0.00 C ATOM 742 O LYS A 41 1.977 -0.323 13.353 1.00 0.00 O ATOM 743 CB LYS A 41 3.090 0.517 10.369 1.00 0.00 C ATOM 744 CG LYS A 41 4.283 0.163 9.480 1.00 0.00 C ATOM 745 CD LYS A 41 4.790 1.423 8.774 1.00 0.00 C ATOM 746 CE LYS A 41 6.004 1.074 7.911 1.00 0.00 C ATOM 747 NZ LYS A 41 7.131 0.652 8.790 1.00 0.00 N ATOM 0 H LYS A 41 1.862 -1.251 9.163 1.00 0.00 H new ATOM 0 HA LYS A 41 3.418 -1.279 11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.296 0.960 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.384 1.262 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.080 -0.275 10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.991 -0.586 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.000 1.847 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.060 2.181 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.752 0.274 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.298 1.936 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.030 0.757 8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.148 1.247 9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.003 -0.343 9.065 1.00 0.00 H new ATOM 761 N LEU A 42 0.370 -0.050 11.792 1.00 0.00 N ATOM 762 CA LEU A 42 -0.642 0.339 12.766 1.00 0.00 C ATOM 763 C LEU A 42 -0.902 -0.809 13.737 1.00 0.00 C ATOM 764 O LEU A 42 -1.004 -0.599 14.946 1.00 0.00 O ATOM 765 CB LEU A 42 -1.943 0.720 12.054 1.00 0.00 C ATOM 766 CG LEU A 42 -2.959 1.273 13.057 1.00 0.00 C ATOM 767 CD1 LEU A 42 -2.526 2.663 13.530 1.00 0.00 C ATOM 768 CD2 LEU A 42 -4.339 1.354 12.403 1.00 0.00 C ATOM 0 H LEU A 42 0.048 -0.069 10.824 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.277 1.202 13.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.739 1.465 11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.358 -0.153 11.550 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.008 0.606 13.918 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.255 3.048 14.243 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.549 2.596 14.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.465 3.336 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.059 1.748 13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.293 2.013 11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.650 0.359 12.086 1.00 0.00 H new ATOM 780 N GLU A 43 -0.999 -2.021 13.197 1.00 0.00 N ATOM 781 CA GLU A 43 -1.239 -3.207 14.012 1.00 0.00 C ATOM 782 C GLU A 43 -0.087 -3.415 14.990 1.00 0.00 C ATOM 783 O GLU A 43 -0.308 -3.754 16.154 1.00 0.00 O ATOM 784 CB GLU A 43 -1.392 -4.446 13.124 1.00 0.00 C ATOM 785 CG GLU A 43 -2.700 -4.361 12.331 1.00 0.00 C ATOM 786 CD GLU A 43 -2.855 -5.520 11.351 1.00 0.00 C ATOM 787 OE1 GLU A 43 -3.856 -5.535 10.653 1.00 0.00 O ATOM 788 OE2 GLU A 43 -1.989 -6.379 11.303 1.00 0.00 O ATOM 0 H GLU A 43 -0.915 -2.207 12.198 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.162 -3.058 14.572 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.546 -4.521 12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.386 -5.347 13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.543 -4.357 13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.731 -3.418 11.784 1.00 0.00 H new ATOM 795 N MET A 44 1.132 -3.211 14.503 1.00 0.00 N ATOM 796 CA MET A 44 2.318 -3.385 15.334 1.00 0.00 C ATOM 797 C MET A 44 2.289 -2.404 16.502 1.00 0.00 C ATOM 798 O MET A 44 2.602 -2.781 17.632 1.00 0.00 O ATOM 799 CB MET A 44 3.582 -3.160 14.502 1.00 0.00 C ATOM 800 CG MET A 44 3.814 -4.357 13.577 1.00 0.00 C ATOM 801 SD MET A 44 5.279 -4.061 12.558 1.00 0.00 S ATOM 802 CE MET A 44 5.397 -5.723 11.849 1.00 0.00 C ATOM 0 H MET A 44 1.325 -2.927 13.543 1.00 0.00 H new ATOM 0 HA MET A 44 2.325 -4.403 15.724 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.483 -2.248 13.914 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.441 -3.024 15.159 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.946 -5.265 14.166 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.942 -4.513 12.942 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.980 -5.685 10.929 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.885 -6.389 12.561 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.397 -6.097 11.630 1.00 0.00 H new ATOM 812 N GLU A 45 1.900 -1.161 16.235 1.00 0.00 N ATOM 813 CA GLU A 45 1.812 -0.130 17.264 1.00 0.00 C ATOM 814 C GLU A 45 0.780 -0.524 18.314 1.00 0.00 C ATOM 815 O GLU A 45 1.009 -0.346 19.511 1.00 0.00 O ATOM 816 CB GLU A 45 1.435 1.211 16.630 1.00 0.00 C ATOM 817 CG GLU A 45 2.598 1.725 15.777 1.00 0.00 C ATOM 818 CD GLU A 45 3.810 2.025 16.653 1.00 0.00 C ATOM 819 OE1 GLU A 45 3.652 2.765 17.610 1.00 0.00 O ATOM 820 OE2 GLU A 45 4.872 1.496 16.367 1.00 0.00 O ATOM 0 H GLU A 45 1.638 -0.841 15.303 1.00 0.00 H new ATOM 0 HA GLU A 45 2.783 -0.030 17.748 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.543 1.095 16.014 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.193 1.936 17.407 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.861 0.982 15.024 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.295 2.626 15.244 1.00 0.00 H new ATOM 827 N ALA A 46 -0.349 -1.062 17.861 1.00 0.00 N ATOM 828 CA ALA A 46 -1.410 -1.480 18.770 1.00 0.00 C ATOM 829 C ALA A 46 -0.894 -2.578 19.694 1.00 0.00 C ATOM 830 O ALA A 46 -1.184 -2.568 20.892 1.00 0.00 O ATOM 831 CB ALA A 46 -2.612 -1.990 17.971 1.00 0.00 C ATOM 0 H ALA A 46 -0.552 -1.218 16.874 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.723 -0.626 19.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.400 -2.300 18.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.985 -1.194 17.327 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.308 -2.840 17.359 1.00 0.00 H new ATOM 837 N LYS A 47 -0.146 -3.521 19.130 1.00 0.00 N ATOM 838 CA LYS A 47 0.382 -4.628 19.919 1.00 0.00 C ATOM 839 C LYS A 47 1.302 -4.089 21.010 1.00 0.00 C ATOM 840 O LYS A 47 1.221 -4.530 22.157 1.00 0.00 O ATOM 841 CB LYS A 47 1.159 -5.590 19.019 1.00 0.00 C ATOM 842 CG LYS A 47 0.188 -6.331 18.098 1.00 0.00 C ATOM 843 CD LYS A 47 0.969 -7.283 17.189 1.00 0.00 C ATOM 844 CE LYS A 47 -0.005 -8.035 16.281 1.00 0.00 C ATOM 845 NZ LYS A 47 0.753 -8.962 15.393 1.00 0.00 N ATOM 0 H LYS A 47 0.106 -3.542 18.142 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.449 -5.164 20.378 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.889 -5.039 18.426 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.715 -6.304 19.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.536 -6.890 18.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.375 -5.617 17.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.685 -6.723 16.587 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.541 -7.989 17.790 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.720 -8.596 16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.578 -7.328 15.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.089 -9.472 14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.419 -8.417 14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.281 -9.645 15.973 1.00 0.00 H new ATOM 859 N ARG A 48 2.146 -3.120 20.662 1.00 0.00 N ATOM 860 CA ARG A 48 3.051 -2.513 21.630 1.00 0.00 C ATOM 861 C ARG A 48 2.260 -1.817 22.731 1.00 0.00 C ATOM 862 O ARG A 48 2.595 -1.935 23.910 1.00 0.00 O ATOM 863 CB ARG A 48 3.949 -1.501 20.916 1.00 0.00 C ATOM 864 CG ARG A 48 4.952 -2.247 20.035 1.00 0.00 C ATOM 865 CD ARG A 48 5.687 -1.232 19.159 1.00 0.00 C ATOM 866 NE ARG A 48 6.739 -1.874 18.376 1.00 0.00 N ATOM 867 CZ ARG A 48 7.311 -1.289 17.325 1.00 0.00 C ATOM 868 NH1 ARG A 48 6.946 -0.104 16.911 1.00 0.00 N ATOM 869 NH2 ARG A 48 8.257 -1.920 16.684 1.00 0.00 N ATOM 0 H ARG A 48 2.221 -2.740 19.718 1.00 0.00 H new ATOM 0 HA ARG A 48 3.665 -3.292 22.083 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.345 -0.827 20.308 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.476 -0.886 21.646 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.662 -2.796 20.653 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.437 -2.979 19.413 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.978 -0.744 18.490 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.121 -0.453 19.786 1.00 0.00 H new ATOM 0 HE ARG A 48 7.048 -2.808 18.645 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.203 0.399 17.396 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.404 0.317 16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.549 -2.848 16.990 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.704 -1.485 15.877 1.00 0.00 H new ATOM 883 N LYS A 49 1.206 -1.111 22.334 1.00 0.00 N ATOM 884 CA LYS A 49 0.380 -0.400 23.304 1.00 0.00 C ATOM 885 C LYS A 49 -0.250 -1.388 24.278 1.00 0.00 C ATOM 886 O LYS A 49 -0.265 -1.149 25.487 1.00 0.00 O ATOM 887 CB LYS A 49 -0.723 0.384 22.591 1.00 0.00 C ATOM 888 CG LYS A 49 -0.112 1.576 21.851 1.00 0.00 C ATOM 889 CD LYS A 49 -1.211 2.377 21.151 1.00 0.00 C ATOM 890 CE LYS A 49 -1.961 3.232 22.174 1.00 0.00 C ATOM 891 NZ LYS A 49 -1.030 4.239 22.758 1.00 0.00 N ATOM 0 H LYS A 49 0.907 -1.016 21.364 1.00 0.00 H new ATOM 0 HA LYS A 49 1.015 0.296 23.853 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.246 -0.264 21.888 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.461 0.732 23.314 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.424 2.215 22.553 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.616 1.226 21.119 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.775 3.014 20.381 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.904 1.701 20.651 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.803 3.733 21.697 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.371 2.600 22.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.465 5.182 22.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.834 3.996 23.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.140 4.242 22.220 1.00 0.00 H new ATOM 905 N GLN A 50 -0.744 -2.505 23.753 1.00 0.00 N ATOM 906 CA GLN A 50 -1.346 -3.533 24.594 1.00 0.00 C ATOM 907 C GLN A 50 -0.306 -4.106 25.552 1.00 0.00 C ATOM 908 O GLN A 50 -0.588 -4.317 26.731 1.00 0.00 O ATOM 909 CB GLN A 50 -1.919 -4.654 23.724 1.00 0.00 C ATOM 910 CG GLN A 50 -3.132 -4.127 22.956 1.00 0.00 C ATOM 911 CD GLN A 50 -3.686 -5.217 22.044 1.00 0.00 C ATOM 912 OE1 GLN A 50 -2.977 -5.714 21.168 1.00 0.00 O ATOM 913 NE2 GLN A 50 -4.916 -5.623 22.199 1.00 0.00 N ATOM 0 H GLN A 50 -0.740 -2.720 22.756 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.152 -3.082 25.173 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.161 -5.013 23.028 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.208 -5.501 24.346 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.902 -3.801 23.655 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.848 -3.256 22.365 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.502 -5.210 22.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.292 -6.353 21.594 1.00 0.00 H new ATOM 922 N GLU A 51 0.894 -4.351 25.029 1.00 0.00 N ATOM 923 CA GLU A 51 1.981 -4.902 25.829 1.00 0.00 C ATOM 924 C GLU A 51 2.341 -3.937 26.954 1.00 0.00 C ATOM 925 O GLU A 51 2.575 -4.361 28.087 1.00 0.00 O ATOM 926 CB GLU A 51 3.219 -5.151 24.963 1.00 0.00 C ATOM 927 CG GLU A 51 4.291 -5.874 25.782 1.00 0.00 C ATOM 928 CD GLU A 51 5.565 -6.048 24.961 1.00 0.00 C ATOM 929 OE1 GLU A 51 5.464 -6.500 23.833 1.00 0.00 O ATOM 930 OE2 GLU A 51 6.624 -5.730 25.479 1.00 0.00 O ATOM 0 H GLU A 51 1.136 -4.176 24.054 1.00 0.00 H new ATOM 0 HA GLU A 51 1.647 -5.850 26.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.950 -5.748 24.092 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.610 -4.204 24.591 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.509 -5.307 26.687 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.919 -6.849 26.098 1.00 0.00 H new ATOM 937 N GLU A 52 2.381 -2.646 26.639 1.00 0.00 N ATOM 938 CA GLU A 52 2.713 -1.618 27.617 1.00 0.00 C ATOM 939 C GLU A 52 1.692 -1.602 28.750 1.00 0.00 C ATOM 940 O GLU A 52 2.065 -1.463 29.917 1.00 0.00 O ATOM 941 CB GLU A 52 2.749 -0.239 26.959 1.00 0.00 C ATOM 942 CG GLU A 52 3.971 -0.123 26.046 1.00 0.00 C ATOM 943 CD GLU A 52 3.951 1.201 25.289 1.00 0.00 C ATOM 944 OE1 GLU A 52 2.883 1.614 24.868 1.00 0.00 O ATOM 945 OE2 GLU A 52 5.012 1.786 25.143 1.00 0.00 O ATOM 0 H GLU A 52 2.186 -2.286 25.705 1.00 0.00 H new ATOM 0 HA GLU A 52 3.698 -1.852 28.021 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.838 -0.079 26.382 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.782 0.537 27.724 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.883 -0.196 26.639 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.984 -0.952 25.339 1.00 0.00 H new ATOM 952 N GLU A 53 0.412 -1.744 28.414 1.00 0.00 N ATOM 953 CA GLU A 53 -0.656 -1.743 29.406 1.00 0.00 C ATOM 954 C GLU A 53 -0.484 -2.923 30.358 1.00 0.00 C ATOM 955 O GLU A 53 -0.629 -2.773 31.572 1.00 0.00 O ATOM 956 CB GLU A 53 -2.012 -1.837 28.704 1.00 0.00 C ATOM 957 CG GLU A 53 -3.128 -1.650 29.735 1.00 0.00 C ATOM 958 CD GLU A 53 -3.180 -0.216 30.255 1.00 0.00 C ATOM 959 OE1 GLU A 53 -2.532 0.648 29.684 1.00 0.00 O ATOM 960 OE2 GLU A 53 -3.870 -0.002 31.238 1.00 0.00 O ATOM 0 H GLU A 53 0.089 -1.862 27.454 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.611 -0.816 29.978 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.086 -1.075 27.928 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.114 -2.804 28.212 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.086 -1.909 29.285 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.972 -2.334 30.569 1.00 0.00 H new ATOM 967 N GLU A 54 -0.161 -4.089 29.806 1.00 0.00 N ATOM 968 CA GLU A 54 0.044 -5.292 30.606 1.00 0.00 C ATOM 969 C GLU A 54 1.214 -5.102 31.562 1.00 0.00 C ATOM 970 O GLU A 54 1.152 -5.524 32.718 1.00 0.00 O ATOM 971 CB GLU A 54 0.300 -6.500 29.702 1.00 0.00 C ATOM 972 CG GLU A 54 -0.986 -6.883 28.964 1.00 0.00 C ATOM 973 CD GLU A 54 -2.057 -7.328 29.954 1.00 0.00 C ATOM 974 OE1 GLU A 54 -1.761 -8.189 30.767 1.00 0.00 O ATOM 975 OE2 GLU A 54 -3.151 -6.790 29.899 1.00 0.00 O ATOM 0 H GLU A 54 -0.035 -4.226 28.803 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.860 -5.474 31.187 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.086 -6.267 28.984 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.652 -7.342 30.298 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.348 -6.033 28.386 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.781 -7.686 28.256 1.00 0.00 H new ATOM 982 N ARG A 55 2.278 -4.479 31.065 1.00 0.00 N ATOM 983 CA ARG A 55 3.465 -4.257 31.880 1.00 0.00 C ATOM 984 C ARG A 55 3.120 -3.382 33.079 1.00 0.00 C ATOM 985 O ARG A 55 3.546 -3.679 34.195 1.00 0.00 O ATOM 986 CB ARG A 55 4.542 -3.562 31.043 1.00 0.00 C ATOM 987 CG ARG A 55 5.851 -3.505 31.832 1.00 0.00 C ATOM 988 CD ARG A 55 6.879 -2.662 31.075 1.00 0.00 C ATOM 989 NE ARG A 55 7.186 -3.288 29.793 1.00 0.00 N ATOM 990 CZ ARG A 55 8.036 -4.305 29.668 1.00 0.00 C ATOM 991 NH1 ARG A 55 8.641 -4.821 30.705 1.00 0.00 N ATOM 992 NH2 ARG A 55 8.253 -4.815 28.487 1.00 0.00 N ATOM 0 H ARG A 55 2.342 -4.122 30.111 1.00 0.00 H new ATOM 0 HA ARG A 55 3.836 -5.220 32.231 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.693 -4.101 30.108 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.219 -2.554 30.782 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.673 -3.077 32.819 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.237 -4.513 31.986 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.491 -1.656 30.915 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.788 -2.562 31.668 1.00 0.00 H new ATOM 0 HE ARG A 55 6.729 -2.930 28.955 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.466 -4.445 31.637 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.288 -5.600 30.583 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.773 -4.434 27.671 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.902 -5.594 28.379 1.00 0.00 H new ATOM 1006 N LYS A 56 2.336 -2.328 32.865 1.00 0.00 N ATOM 1007 CA LYS A 56 1.922 -1.425 33.932 1.00 0.00 C ATOM 1008 C LYS A 56 1.098 -2.185 34.967 1.00 0.00 C ATOM 1009 O LYS A 56 1.289 -2.007 36.170 1.00 0.00 O ATOM 1010 CB LYS A 56 1.089 -0.278 33.354 1.00 0.00 C ATOM 1011 CG LYS A 56 0.733 0.718 34.460 1.00 0.00 C ATOM 1012 CD LYS A 56 -0.085 1.872 33.878 1.00 0.00 C ATOM 1013 CE LYS A 56 -0.431 2.852 35.001 1.00 0.00 C ATOM 1014 NZ LYS A 56 -1.232 3.978 34.443 1.00 0.00 N ATOM 0 H LYS A 56 1.971 -2.077 31.946 1.00 0.00 H new ATOM 0 HA LYS A 56 2.811 -1.016 34.411 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.647 0.226 32.565 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.179 -0.671 32.900 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.165 0.217 35.244 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.642 1.102 34.922 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.482 2.379 33.097 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.996 1.492 33.415 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.994 2.343 35.783 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.481 3.232 35.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.469 4.646 35.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.679 4.468 33.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.108 3.606 34.024 1.00 0.00 H new ATOM 1028 N LYS A 57 0.203 -3.043 34.483 1.00 0.00 N ATOM 1029 CA LYS A 57 -0.633 -3.840 35.374 1.00 0.00 C ATOM 1030 C LYS A 57 0.225 -4.775 36.221 1.00 0.00 C ATOM 1031 O LYS A 57 -0.005 -4.920 37.422 1.00 0.00 O ATOM 1032 CB LYS A 57 -1.628 -4.667 34.557 1.00 0.00 C ATOM 1033 CG LYS A 57 -2.683 -3.743 33.947 1.00 0.00 C ATOM 1034 CD LYS A 57 -3.655 -4.565 33.098 1.00 0.00 C ATOM 1035 CE LYS A 57 -4.751 -3.649 32.548 1.00 0.00 C ATOM 1036 NZ LYS A 57 -5.662 -4.436 31.670 1.00 0.00 N ATOM 0 H LYS A 57 0.040 -3.203 33.489 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.175 -3.162 36.033 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.105 -5.209 33.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.106 -5.412 35.193 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.225 -3.222 34.736 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.203 -2.981 33.333 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.122 -5.045 32.278 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.098 -5.359 33.699 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.314 -3.204 33.369 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.306 -2.828 31.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.407 -3.814 31.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.119 -4.840 30.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.096 -5.204 32.220 1.00 0.00 H new ATOM 1050 N ARG A 58 1.213 -5.396 35.584 1.00 0.00 N ATOM 1051 CA ARG A 58 2.111 -6.309 36.283 1.00 0.00 C ATOM 1052 C ARG A 58 2.898 -5.570 37.359 1.00 0.00 C ATOM 1053 O ARG A 58 3.068 -6.074 38.469 1.00 0.00 O ATOM 1054 CB ARG A 58 3.086 -6.961 35.299 1.00 0.00 C ATOM 1055 CG ARG A 58 3.972 -7.964 36.041 1.00 0.00 C ATOM 1056 CD ARG A 58 4.844 -8.704 35.027 1.00 0.00 C ATOM 1057 NE ARG A 58 5.798 -9.579 35.701 1.00 0.00 N ATOM 1058 CZ ARG A 58 6.526 -10.483 35.049 1.00 0.00 C ATOM 1059 NH1 ARG A 58 6.418 -10.643 33.757 1.00 0.00 N ATOM 1060 NH2 ARG A 58 7.371 -11.223 35.712 1.00 0.00 N ATOM 0 H ARG A 58 1.412 -5.285 34.590 1.00 0.00 H new ATOM 0 HA ARG A 58 1.504 -7.083 36.753 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.534 -7.465 34.506 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.703 -6.198 34.823 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.597 -7.447 36.769 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.356 -8.672 36.595 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.214 -9.292 34.360 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.379 -7.984 34.408 1.00 0.00 H new ATOM 0 HE ARG A 58 5.911 -9.495 36.711 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.765 -10.068 33.225 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.987 -11.343 33.280 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.469 -11.106 36.721 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.934 -11.919 35.222 1.00 0.00 H new ATOM 1074 N GLU A 59 3.371 -4.376 37.013 1.00 0.00 N ATOM 1075 CA GLU A 59 4.147 -3.565 37.944 1.00 0.00 C ATOM 1076 C GLU A 59 3.319 -3.190 39.169 1.00 0.00 C ATOM 1077 O GLU A 59 3.812 -3.235 40.296 1.00 0.00 O ATOM 1078 CB GLU A 59 4.627 -2.284 37.261 1.00 0.00 C ATOM 1079 CG GLU A 59 5.704 -2.611 36.223 1.00 0.00 C ATOM 1080 CD GLU A 59 6.087 -1.386 35.398 1.00 0.00 C ATOM 1081 OE1 GLU A 59 6.879 -1.550 34.484 1.00 0.00 O ATOM 1082 OE2 GLU A 59 5.598 -0.303 35.673 1.00 0.00 O ATOM 0 H GLU A 59 3.231 -3.950 36.097 1.00 0.00 H new ATOM 0 HA GLU A 59 5.004 -4.159 38.262 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.787 -1.783 36.779 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.026 -1.594 38.005 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.588 -3.000 36.727 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.343 -3.397 35.560 1.00 0.00 H new ATOM 1089 N ASP A 60 2.057 -2.834 38.947 1.00 0.00 N ATOM 1090 CA ASP A 60 1.152 -2.454 40.026 1.00 0.00 C ATOM 1091 C ASP A 60 0.928 -3.612 40.992 1.00 0.00 C ATOM 1092 O ASP A 60 0.913 -3.422 42.208 1.00 0.00 O ATOM 1093 CB ASP A 60 -0.190 -1.992 39.451 1.00 0.00 C ATOM 1094 CG ASP A 60 -0.072 -0.624 38.781 1.00 0.00 C ATOM 1095 OD1 ASP A 60 0.856 0.105 39.090 1.00 0.00 O ATOM 1096 OD2 ASP A 60 -0.923 -0.327 37.960 1.00 0.00 O ATOM 0 H ASP A 60 1.635 -2.801 38.019 1.00 0.00 H new ATOM 0 HA ASP A 60 1.612 -1.633 40.576 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.547 -2.723 38.726 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.932 -1.945 40.248 1.00 0.00 H new ATOM 1101 N ASP A 61 0.766 -4.813 40.448 1.00 0.00 N ATOM 1102 CA ASP A 61 0.554 -6.013 41.247 1.00 0.00 C ATOM 1103 C ASP A 61 1.759 -6.286 42.140 1.00 0.00 C ATOM 1104 O ASP A 61 1.595 -6.657 43.302 1.00 0.00 O ATOM 1105 CB ASP A 61 0.313 -7.224 40.345 1.00 0.00 C ATOM 1106 CG ASP A 61 -0.303 -8.352 41.165 1.00 0.00 C ATOM 1107 OD1 ASP A 61 -1.358 -8.130 41.735 1.00 0.00 O ATOM 1108 OD2 ASP A 61 0.284 -9.419 41.212 1.00 0.00 O ATOM 0 H ASP A 61 0.778 -4.981 39.442 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.324 -5.847 41.870 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.350 -6.953 39.523 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.252 -7.553 39.901 1.00 0.00 H new ATOM 1113 N GLU A 62 2.964 -6.080 41.613 1.00 0.00 N ATOM 1114 CA GLU A 62 4.208 -6.280 42.344 1.00 0.00 C ATOM 1115 C GLU A 62 4.351 -5.324 43.525 1.00 0.00 C ATOM 1116 O GLU A 62 4.828 -5.703 44.596 1.00 0.00 O ATOM 1117 CB GLU A 62 5.407 -6.118 41.406 1.00 0.00 C ATOM 1118 CG GLU A 62 5.417 -7.249 40.370 1.00 0.00 C ATOM 1119 CD GLU A 62 6.544 -7.085 39.353 1.00 0.00 C ATOM 1120 OE1 GLU A 62 7.255 -6.095 39.405 1.00 0.00 O ATOM 1121 OE2 GLU A 62 6.681 -7.968 38.522 1.00 0.00 O ATOM 0 H GLU A 62 3.103 -5.765 40.653 1.00 0.00 H new ATOM 0 HA GLU A 62 4.181 -7.295 42.742 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.358 -5.153 40.902 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.333 -6.131 41.980 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.526 -8.206 40.880 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.460 -7.272 39.849 1.00 0.00 H new ATOM 1128 N LYS A 63 3.977 -4.068 43.299 1.00 0.00 N ATOM 1129 CA LYS A 63 4.109 -3.025 44.310 1.00 0.00 C ATOM 1130 C LYS A 63 3.273 -3.359 45.539 1.00 0.00 C ATOM 1131 O LYS A 63 3.724 -3.181 46.671 1.00 0.00 O ATOM 1132 CB LYS A 63 3.649 -1.681 43.740 1.00 0.00 C ATOM 1133 CG LYS A 63 4.638 -1.202 42.673 1.00 0.00 C ATOM 1134 CD LYS A 63 4.128 0.106 42.064 1.00 0.00 C ATOM 1135 CE LYS A 63 5.093 0.573 40.973 1.00 0.00 C ATOM 1136 NZ LYS A 63 4.568 1.816 40.343 1.00 0.00 N ATOM 0 H LYS A 63 3.577 -3.747 42.417 1.00 0.00 H new ATOM 0 HA LYS A 63 5.158 -2.962 44.599 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.654 -1.781 43.307 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.576 -0.943 44.539 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.623 -1.051 43.115 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.749 -1.959 41.897 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.132 -0.040 41.645 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.040 0.869 42.837 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.079 0.758 41.400 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.212 -0.206 40.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.224 2.133 39.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.636 1.625 39.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.476 2.559 41.065 1.00 0.00 H new ATOM 1150 N ARG A 64 2.067 -3.859 45.300 1.00 0.00 N ATOM 1151 CA ARG A 64 1.209 -4.229 46.417 1.00 0.00 C ATOM 1152 C ARG A 64 1.661 -5.546 47.044 1.00 0.00 C ATOM 1153 O ARG A 64 0.993 -6.046 47.947 1.00 0.00 O ATOM 1154 CB ARG A 64 -0.230 -4.354 45.911 1.00 0.00 C ATOM 1155 CG ARG A 64 -0.692 -2.994 45.387 1.00 0.00 C ATOM 1156 CD ARG A 64 -2.081 -3.130 44.762 1.00 0.00 C ATOM 1157 NE ARG A 64 -2.031 -3.930 43.543 1.00 0.00 N ATOM 1158 CZ ARG A 64 -3.124 -4.274 42.864 1.00 0.00 C ATOM 1159 NH1 ARG A 64 -4.314 -3.909 43.259 1.00 0.00 N ATOM 1160 NH2 ARG A 64 -3.011 -4.991 41.779 1.00 0.00 N ATOM 0 H ARG A 64 1.670 -4.014 44.373 1.00 0.00 H new ATOM 0 HA ARG A 64 1.271 -3.458 47.185 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.288 -5.102 45.120 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.884 -4.690 46.715 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.718 -2.269 46.201 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.015 -2.618 44.648 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.761 -3.593 45.477 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.480 -2.141 44.536 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.122 -4.238 43.197 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.421 -3.348 44.104 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.136 -4.185 42.722 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.089 -5.285 41.455 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.844 -5.258 41.255 1.00 0.00 H new ATOM 1174 N ILE A 65 2.786 -6.100 46.593 1.00 0.00 N ATOM 1175 CA ILE A 65 3.292 -7.350 47.153 1.00 0.00 C ATOM 1176 C ILE A 65 3.661 -7.165 48.620 1.00 0.00 C ATOM 1177 O ILE A 65 3.318 -7.995 49.462 1.00 0.00 O ATOM 1178 CB ILE A 65 4.511 -7.886 46.393 1.00 0.00 C ATOM 1179 CG1 ILE A 65 4.058 -8.392 45.022 1.00 0.00 C ATOM 1180 CG2 ILE A 65 5.230 -8.999 47.164 1.00 0.00 C ATOM 1181 CD1 ILE A 65 5.269 -8.721 44.144 1.00 0.00 C ATOM 0 H ILE A 65 3.360 -5.706 45.847 1.00 0.00 H new ATOM 0 HA ILE A 65 2.489 -8.080 47.056 1.00 0.00 H new ATOM 0 HB ILE A 65 5.227 -7.072 46.275 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.437 -9.280 45.143 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.442 -7.636 44.534 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.086 -9.347 46.586 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.572 -8.614 48.124 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.543 -9.829 47.330 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.928 -9.079 43.173 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.874 -7.825 44.008 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.868 -9.494 44.626 1.00 0.00 H new ATOM 1193 N GLN A 66 4.370 -6.079 48.902 1.00 0.00 N ATOM 1194 CA GLN A 66 4.792 -5.786 50.266 1.00 0.00 C ATOM 1195 C GLN A 66 4.701 -4.297 50.577 1.00 0.00 C ATOM 1196 O GLN A 66 5.155 -3.870 51.638 1.00 0.00 O ATOM 1197 CB GLN A 66 6.227 -6.268 50.501 1.00 0.00 C ATOM 1198 CG GLN A 66 6.234 -7.771 50.793 1.00 0.00 C ATOM 1199 CD GLN A 66 7.661 -8.255 51.034 1.00 0.00 C ATOM 1200 OE1 GLN A 66 8.390 -7.669 51.834 1.00 0.00 O ATOM 1201 NE2 GLN A 66 8.106 -9.292 50.379 1.00 0.00 N ATOM 0 H GLN A 66 4.663 -5.390 48.209 1.00 0.00 H new ATOM 0 HA GLN A 66 4.114 -6.318 50.933 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.838 -6.057 49.624 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.670 -5.725 51.336 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.618 -7.982 51.667 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.795 -8.313 49.956 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.499 -9.776 49.717 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.060 -9.619 50.529 1.00 0.00 H new ATOM 1210 N ALA A 67 4.130 -3.523 49.656 1.00 0.00 N ATOM 1211 CA ALA A 67 3.972 -2.082 49.828 1.00 0.00 C ATOM 1212 C ALA A 67 5.271 -1.348 49.509 1.00 0.00 C ATOM 1213 O ALA A 67 5.782 -0.575 50.320 1.00 0.00 O ATOM 1214 CB ALA A 67 3.487 -1.732 51.238 1.00 0.00 C ATOM 0 H ALA A 67 3.765 -3.877 48.772 1.00 0.00 H new ATOM 0 HA ALA A 67 3.209 -1.753 49.123 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.381 -0.651 51.328 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.523 -2.208 51.420 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.211 -2.088 51.971 1.00 0.00 H new ATOM 1220 N GLU A 68 5.796 -1.588 48.310 1.00 0.00 N ATOM 1221 CA GLU A 68 7.029 -0.935 47.884 1.00 0.00 C ATOM 1222 C GLU A 68 6.709 0.372 47.164 1.00 0.00 C ATOM 1223 O GLU A 68 6.092 0.313 46.113 1.00 0.00 O ATOM 1224 CB GLU A 68 7.821 -1.858 46.955 1.00 0.00 C ATOM 1225 CG GLU A 68 8.274 -3.098 47.729 1.00 0.00 C ATOM 1226 CD GLU A 68 9.032 -4.051 46.809 1.00 0.00 C ATOM 1227 OE1 GLU A 68 10.051 -4.565 47.239 1.00 0.00 O ATOM 1228 OE2 GLU A 68 8.582 -4.256 45.694 1.00 0.00 O ATOM 0 H GLU A 68 5.391 -2.224 47.623 1.00 0.00 H new ATOM 0 HA GLU A 68 7.631 -0.717 48.766 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.204 -2.152 46.106 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.687 -1.331 46.553 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.912 -2.802 48.562 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.408 -3.605 48.155 1.00 0.00 H new TER 1235 GLU A 68