USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 581 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 110:sc= -1.88 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0.0195 (180deg=0.00632) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.191) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.584 -15.831 -4.150 1.00 0.00 N ATOM 2 CA GLY A 1 -9.178 -14.874 -5.067 1.00 0.00 C ATOM 3 C GLY A 1 -8.099 -14.111 -5.838 1.00 0.00 C ATOM 4 O GLY A 1 -7.724 -14.503 -6.942 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.336 -16.335 -3.639 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.010 -16.514 -4.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.979 -15.330 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.832 -15.394 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.800 -14.171 -4.512 1.00 0.00 H new ATOM 8 N SER A 2 -7.631 -13.033 -5.226 1.00 0.00 N ATOM 9 CA SER A 2 -6.602 -12.211 -5.840 1.00 0.00 C ATOM 10 C SER A 2 -5.816 -11.461 -4.762 1.00 0.00 C ATOM 11 O SER A 2 -4.591 -11.549 -4.707 1.00 0.00 O ATOM 12 CB SER A 2 -7.209 -11.222 -6.837 1.00 0.00 C ATOM 13 OG SER A 2 -6.210 -10.468 -7.517 1.00 0.00 O ATOM 0 H SER A 2 -7.946 -12.710 -4.311 1.00 0.00 H new ATOM 0 HA SER A 2 -5.923 -12.866 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.811 -11.765 -7.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.880 -10.543 -6.311 1.00 0.00 H new ATOM 0 HG SER A 2 -6.170 -10.749 -8.455 1.00 0.00 H new ATOM 19 N ARG A 3 -6.556 -10.742 -3.930 1.00 0.00 N ATOM 20 CA ARG A 3 -5.944 -9.978 -2.856 1.00 0.00 C ATOM 21 C ARG A 3 -5.169 -8.788 -3.426 1.00 0.00 C ATOM 22 O ARG A 3 -5.509 -7.635 -3.161 1.00 0.00 O ATOM 23 CB ARG A 3 -4.994 -10.848 -2.032 1.00 0.00 C ATOM 24 CG ARG A 3 -5.558 -11.101 -0.632 1.00 0.00 C ATOM 25 CD ARG A 3 -6.229 -12.472 -0.549 1.00 0.00 C ATOM 26 NE ARG A 3 -6.911 -12.625 0.755 1.00 0.00 N ATOM 27 CZ ARG A 3 -7.531 -13.745 1.152 1.00 0.00 C ATOM 28 NH1 ARG A 3 -7.557 -14.817 0.349 1.00 0.00 N ATOM 29 NH2 ARG A 3 -8.124 -13.791 2.353 1.00 0.00 N ATOM 0 H ARG A 3 -7.573 -10.673 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.744 -9.619 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.833 -11.799 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.023 -10.359 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.756 -11.040 0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.280 -10.324 -0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.949 -12.583 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.484 -13.258 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.909 -11.828 1.392 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.105 -14.781 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.029 -15.669 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.103 -12.974 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.596 -14.643 2.656 1.00 0.00 H new ATOM 43 N VAL A 4 -4.140 -9.107 -4.198 1.00 0.00 N ATOM 44 CA VAL A 4 -3.315 -8.080 -4.808 1.00 0.00 C ATOM 45 C VAL A 4 -4.203 -7.126 -5.610 1.00 0.00 C ATOM 46 O VAL A 4 -4.001 -5.914 -5.584 1.00 0.00 O ATOM 47 CB VAL A 4 -2.213 -8.724 -5.651 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.361 -7.661 -6.347 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.345 -9.654 -4.801 1.00 0.00 C ATOM 0 H VAL A 4 -3.859 -10.063 -4.415 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.814 -7.489 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.692 -9.326 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.586 -8.147 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.993 -7.059 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.897 -7.019 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.570 -10.099 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.881 -9.084 -3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.965 -10.443 -4.376 1.00 0.00 H new ATOM 59 N LYS A 5 -5.166 -7.713 -6.307 1.00 0.00 N ATOM 60 CA LYS A 5 -6.086 -6.931 -7.116 1.00 0.00 C ATOM 61 C LYS A 5 -6.808 -5.918 -6.226 1.00 0.00 C ATOM 62 O LYS A 5 -6.726 -4.713 -6.457 1.00 0.00 O ATOM 63 CB LYS A 5 -7.030 -7.851 -7.893 1.00 0.00 C ATOM 64 CG LYS A 5 -8.017 -7.039 -8.734 1.00 0.00 C ATOM 65 CD LYS A 5 -7.546 -6.939 -10.186 1.00 0.00 C ATOM 66 CE LYS A 5 -8.501 -6.076 -11.013 1.00 0.00 C ATOM 67 NZ LYS A 5 -7.758 -5.341 -12.063 1.00 0.00 N ATOM 0 H LYS A 5 -5.329 -8.720 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.542 -6.361 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.451 -8.509 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.577 -8.488 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.001 -7.506 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.123 -6.039 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.544 -6.512 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.482 -7.936 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.264 -6.705 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.018 -5.370 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.421 -4.760 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.046 -4.726 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.285 -6.020 -12.693 1.00 0.00 H new ATOM 81 N ALA A 6 -7.499 -6.445 -5.225 1.00 0.00 N ATOM 82 CA ALA A 6 -8.236 -5.602 -4.299 1.00 0.00 C ATOM 83 C ALA A 6 -7.260 -4.665 -3.583 1.00 0.00 C ATOM 84 O ALA A 6 -7.675 -3.684 -2.967 1.00 0.00 O ATOM 85 CB ALA A 6 -9.024 -6.479 -3.325 1.00 0.00 C ATOM 0 H ALA A 6 -7.564 -7.445 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.956 -4.983 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.577 -5.846 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.723 -7.104 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.335 -7.114 -2.768 1.00 0.00 H new ATOM 91 N LEU A 7 -5.983 -5.002 -3.687 1.00 0.00 N ATOM 92 CA LEU A 7 -4.946 -4.204 -3.056 1.00 0.00 C ATOM 93 C LEU A 7 -4.534 -3.072 -4.000 1.00 0.00 C ATOM 94 O LEU A 7 -4.648 -1.897 -3.653 1.00 0.00 O ATOM 95 CB LEU A 7 -3.779 -5.092 -2.616 1.00 0.00 C ATOM 96 CG LEU A 7 -3.644 -5.324 -1.110 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.793 -4.012 -0.337 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.632 -6.388 -0.629 1.00 0.00 C ATOM 0 H LEU A 7 -5.643 -5.816 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.325 -3.739 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.881 -6.061 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.853 -4.647 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.641 -5.702 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.693 -4.206 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.018 -3.313 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.774 -3.581 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.515 -6.534 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.650 -6.062 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.436 -7.327 -1.146 1.00 0.00 H new ATOM 110 N GLU A 8 -4.065 -3.465 -5.175 1.00 0.00 N ATOM 111 CA GLU A 8 -3.637 -2.498 -6.172 1.00 0.00 C ATOM 112 C GLU A 8 -4.565 -1.282 -6.165 1.00 0.00 C ATOM 113 O GLU A 8 -4.136 -0.168 -6.459 1.00 0.00 O ATOM 114 CB GLU A 8 -3.576 -3.134 -7.562 1.00 0.00 C ATOM 115 CG GLU A 8 -2.650 -2.342 -8.487 1.00 0.00 C ATOM 116 CD GLU A 8 -3.110 -2.445 -9.943 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.267 -2.052 -10.202 1.00 0.00 O ATOM 118 OE2 GLU A 8 -2.293 -2.916 -10.764 1.00 0.00 O ATOM 0 H GLU A 8 -3.972 -4.440 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.631 -2.164 -5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.222 -4.162 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.577 -3.175 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.632 -1.296 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.631 -2.718 -8.396 1.00 0.00 H new ATOM 125 N GLU A 9 -5.819 -1.537 -5.824 1.00 0.00 N ATOM 126 CA GLU A 9 -6.812 -0.477 -5.774 1.00 0.00 C ATOM 127 C GLU A 9 -6.341 0.649 -4.851 1.00 0.00 C ATOM 128 O GLU A 9 -6.156 1.782 -5.292 1.00 0.00 O ATOM 129 CB GLU A 9 -8.171 -1.019 -5.328 1.00 0.00 C ATOM 130 CG GLU A 9 -8.936 -1.619 -6.508 1.00 0.00 C ATOM 131 CD GLU A 9 -10.444 -1.609 -6.247 1.00 0.00 C ATOM 132 OE1 GLU A 9 -10.935 -0.551 -5.798 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.071 -2.660 -6.503 1.00 0.00 O ATOM 0 H GLU A 9 -6.171 -2.463 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.932 -0.071 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.029 -1.778 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.757 -0.217 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.716 -1.053 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.600 -2.641 -6.681 1.00 0.00 H new ATOM 140 N LYS A 10 -6.158 0.297 -3.587 1.00 0.00 N ATOM 141 CA LYS A 10 -5.712 1.263 -2.597 1.00 0.00 C ATOM 142 C LYS A 10 -4.300 1.736 -2.953 1.00 0.00 C ATOM 143 O LYS A 10 -4.022 2.934 -2.942 1.00 0.00 O ATOM 144 CB LYS A 10 -5.828 0.680 -1.188 1.00 0.00 C ATOM 145 CG LYS A 10 -6.080 1.782 -0.157 1.00 0.00 C ATOM 146 CD LYS A 10 -7.509 2.316 -0.264 1.00 0.00 C ATOM 147 CE LYS A 10 -8.137 2.483 1.121 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.614 2.447 1.029 1.00 0.00 N ATOM 0 H LYS A 10 -6.311 -0.644 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.356 2.142 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.641 -0.045 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.913 0.144 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.908 1.393 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.371 2.596 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.505 3.274 -0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.113 1.632 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.789 1.690 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.817 3.428 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.024 2.562 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.942 3.219 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.915 1.535 0.630 1.00 0.00 H new ATOM 162 N VAL A 11 -3.448 0.769 -3.260 1.00 0.00 N ATOM 163 CA VAL A 11 -2.072 1.072 -3.618 1.00 0.00 C ATOM 164 C VAL A 11 -2.060 2.082 -4.767 1.00 0.00 C ATOM 165 O VAL A 11 -1.639 3.226 -4.589 1.00 0.00 O ATOM 166 CB VAL A 11 -1.322 -0.220 -3.951 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.146 0.067 -4.274 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.445 -1.233 -2.812 1.00 0.00 C ATOM 0 H VAL A 11 -3.683 -0.224 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.550 1.529 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.781 -0.656 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.657 -0.867 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.206 0.737 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.623 0.536 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.903 -2.142 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.023 -0.809 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.496 -1.471 -2.649 1.00 0.00 H new ATOM 178 N LYS A 12 -2.524 1.626 -5.920 1.00 0.00 N ATOM 179 CA LYS A 12 -2.572 2.477 -7.097 1.00 0.00 C ATOM 180 C LYS A 12 -2.989 3.890 -6.684 1.00 0.00 C ATOM 181 O LYS A 12 -2.368 4.869 -7.094 1.00 0.00 O ATOM 182 CB LYS A 12 -3.471 1.858 -8.170 1.00 0.00 C ATOM 183 CG LYS A 12 -3.716 2.843 -9.316 1.00 0.00 C ATOM 184 CD LYS A 12 -3.237 2.263 -10.648 1.00 0.00 C ATOM 185 CE LYS A 12 -1.995 3.001 -11.153 1.00 0.00 C ATOM 186 NZ LYS A 12 -1.766 2.710 -12.585 1.00 0.00 N ATOM 0 H LYS A 12 -2.870 0.678 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.584 2.557 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.008 0.951 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.423 1.566 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.779 3.077 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.195 3.779 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.011 1.204 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.034 2.336 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.119 4.074 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.124 2.700 -10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.920 3.219 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.627 1.687 -12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.591 3.019 -13.138 1.00 0.00 H new ATOM 200 N ALA A 13 -4.038 3.951 -5.877 1.00 0.00 N ATOM 201 CA ALA A 13 -4.545 5.227 -5.404 1.00 0.00 C ATOM 202 C ALA A 13 -3.461 5.928 -4.583 1.00 0.00 C ATOM 203 O ALA A 13 -3.187 7.110 -4.791 1.00 0.00 O ATOM 204 CB ALA A 13 -5.829 5.001 -4.603 1.00 0.00 C ATOM 0 H ALA A 13 -4.551 3.137 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.795 5.876 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.210 5.959 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.576 4.527 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.617 4.356 -3.750 1.00 0.00 H new ATOM 210 N LEU A 14 -2.875 5.172 -3.667 1.00 0.00 N ATOM 211 CA LEU A 14 -1.827 5.707 -2.815 1.00 0.00 C ATOM 212 C LEU A 14 -0.791 6.430 -3.678 1.00 0.00 C ATOM 213 O LEU A 14 -0.298 7.493 -3.303 1.00 0.00 O ATOM 214 CB LEU A 14 -1.233 4.602 -1.938 1.00 0.00 C ATOM 215 CG LEU A 14 -2.132 4.081 -0.815 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.299 3.520 0.339 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.106 5.164 -0.346 1.00 0.00 C ATOM 0 H LEU A 14 -3.106 4.193 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.238 6.444 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.963 3.763 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.310 4.975 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.730 3.259 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.963 3.157 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.682 2.698 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.658 4.305 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.733 4.768 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.545 6.022 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.734 5.475 -1.181 1.00 0.00 H new ATOM 229 N GLU A 15 -0.492 5.825 -4.819 1.00 0.00 N ATOM 230 CA GLU A 15 0.475 6.397 -5.738 1.00 0.00 C ATOM 231 C GLU A 15 0.051 7.810 -6.144 1.00 0.00 C ATOM 232 O GLU A 15 0.830 8.755 -6.025 1.00 0.00 O ATOM 233 CB GLU A 15 0.658 5.506 -6.968 1.00 0.00 C ATOM 234 CG GLU A 15 1.730 6.071 -7.901 1.00 0.00 C ATOM 235 CD GLU A 15 1.268 6.024 -9.359 1.00 0.00 C ATOM 236 OE1 GLU A 15 0.865 4.923 -9.792 1.00 0.00 O ATOM 237 OE2 GLU A 15 1.328 7.091 -10.008 1.00 0.00 O ATOM 0 H GLU A 15 -0.903 4.944 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 15 1.437 6.459 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.938 4.500 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.287 5.421 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.956 7.100 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.652 5.500 -7.789 1.00 0.00 H new ATOM 244 N GLU A 16 -1.184 7.910 -6.615 1.00 0.00 N ATOM 245 CA GLU A 16 -1.721 9.192 -7.039 1.00 0.00 C ATOM 246 C GLU A 16 -1.881 10.124 -5.836 1.00 0.00 C ATOM 247 O GLU A 16 -1.493 11.290 -5.893 1.00 0.00 O ATOM 248 CB GLU A 16 -3.051 9.012 -7.774 1.00 0.00 C ATOM 249 CG GLU A 16 -2.954 9.525 -9.213 1.00 0.00 C ATOM 250 CD GLU A 16 -4.305 9.419 -9.924 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.291 9.925 -9.347 1.00 0.00 O ATOM 252 OE2 GLU A 16 -4.319 8.834 -11.028 1.00 0.00 O ATOM 0 H GLU A 16 -1.827 7.125 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.017 9.647 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.329 7.958 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.839 9.548 -7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.620 10.563 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.206 8.950 -9.758 1.00 0.00 H new ATOM 259 N LYS A 17 -2.455 9.576 -4.775 1.00 0.00 N ATOM 260 CA LYS A 17 -2.672 10.344 -3.561 1.00 0.00 C ATOM 261 C LYS A 17 -1.325 10.831 -3.023 1.00 0.00 C ATOM 262 O LYS A 17 -1.092 12.035 -2.919 1.00 0.00 O ATOM 263 CB LYS A 17 -3.479 9.529 -2.549 1.00 0.00 C ATOM 264 CG LYS A 17 -4.875 10.124 -2.353 1.00 0.00 C ATOM 265 CD LYS A 17 -5.398 9.847 -0.942 1.00 0.00 C ATOM 266 CE LYS A 17 -6.879 10.210 -0.825 1.00 0.00 C ATOM 267 NZ LYS A 17 -7.409 9.805 0.497 1.00 0.00 N ATOM 0 H LYS A 17 -2.776 8.609 -4.731 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.271 11.230 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.564 8.498 -2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.953 9.504 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.843 11.199 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.560 9.702 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.258 8.794 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.821 10.421 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.008 11.284 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.444 9.717 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.416 10.059 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.303 8.777 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.881 10.295 1.247 1.00 0.00 H new ATOM 281 N VAL A 18 -0.472 9.871 -2.696 1.00 0.00 N ATOM 282 CA VAL A 18 0.846 10.187 -2.173 1.00 0.00 C ATOM 283 C VAL A 18 1.470 11.302 -3.015 1.00 0.00 C ATOM 284 O VAL A 18 2.119 12.200 -2.479 1.00 0.00 O ATOM 285 CB VAL A 18 1.706 8.923 -2.120 1.00 0.00 C ATOM 286 CG1 VAL A 18 3.146 9.255 -1.727 1.00 0.00 C ATOM 287 CG2 VAL A 18 1.102 7.888 -1.169 1.00 0.00 C ATOM 0 H VAL A 18 -0.668 8.874 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 18 0.773 10.555 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 18 1.724 8.489 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.735 8.339 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.575 9.938 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.156 9.725 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.733 6.999 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.038 8.309 -0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.104 7.617 -1.513 1.00 0.00 H new ATOM 297 N LYS A 19 1.253 11.207 -4.318 1.00 0.00 N ATOM 298 CA LYS A 19 1.788 12.196 -5.239 1.00 0.00 C ATOM 299 C LYS A 19 0.965 13.481 -5.135 1.00 0.00 C ATOM 300 O LYS A 19 1.515 14.580 -5.178 1.00 0.00 O ATOM 301 CB LYS A 19 1.859 11.624 -6.656 1.00 0.00 C ATOM 302 CG LYS A 19 2.935 12.333 -7.481 1.00 0.00 C ATOM 303 CD LYS A 19 2.687 12.150 -8.980 1.00 0.00 C ATOM 304 CE LYS A 19 3.960 11.690 -9.694 1.00 0.00 C ATOM 305 NZ LYS A 19 3.903 10.237 -9.971 1.00 0.00 N ATOM 0 H LYS A 19 0.714 10.461 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 19 2.813 12.451 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.075 10.557 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.891 11.733 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.944 13.395 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.917 11.938 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.894 11.418 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.342 13.089 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.079 12.240 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.831 11.915 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.774 9.942 -10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.811 9.716 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.083 10.031 -10.577 1.00 0.00 H new ATOM 319 N ALA A 20 -0.341 13.300 -5.000 1.00 0.00 N ATOM 320 CA ALA A 20 -1.246 14.431 -4.889 1.00 0.00 C ATOM 321 C ALA A 20 -0.817 15.309 -3.712 1.00 0.00 C ATOM 322 O ALA A 20 -0.884 16.535 -3.790 1.00 0.00 O ATOM 323 CB ALA A 20 -2.682 13.925 -4.744 1.00 0.00 C ATOM 0 H ALA A 20 -0.794 12.387 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.205 15.043 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.360 14.774 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.949 13.332 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.762 13.308 -3.849 1.00 0.00 H new ATOM 329 N LEU A 21 -0.383 14.648 -2.649 1.00 0.00 N ATOM 330 CA LEU A 21 0.058 15.353 -1.457 1.00 0.00 C ATOM 331 C LEU A 21 1.012 16.478 -1.860 1.00 0.00 C ATOM 332 O LEU A 21 1.702 16.380 -2.874 1.00 0.00 O ATOM 333 CB LEU A 21 0.656 14.372 -0.445 1.00 0.00 C ATOM 334 CG LEU A 21 -0.032 13.009 -0.347 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.454 12.238 0.882 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.554 13.160 -0.365 1.00 0.00 C ATOM 0 H LEU A 21 -0.327 13.631 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.789 15.818 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.703 14.211 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.636 14.839 0.540 1.00 0.00 H new ATOM 0 HG LEU A 21 0.243 12.423 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.050 11.273 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.530 12.082 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.228 12.809 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.018 12.176 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.869 13.772 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.861 13.640 -1.294 1.00 0.00 H new ATOM 348 N GLY A 22 1.021 17.523 -1.045 1.00 0.00 N ATOM 349 CA GLY A 22 1.880 18.666 -1.303 1.00 0.00 C ATOM 350 C GLY A 22 3.354 18.257 -1.301 1.00 0.00 C ATOM 351 O GLY A 22 4.184 18.907 -1.936 1.00 0.00 O ATOM 0 H GLY A 22 0.447 17.602 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.623 19.108 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.710 19.431 -0.545 1.00 0.00 H new ATOM 355 N GLY A 23 3.636 17.181 -0.580 1.00 0.00 N ATOM 356 CA GLY A 23 4.995 16.678 -0.487 1.00 0.00 C ATOM 357 C GLY A 23 5.934 17.738 0.092 1.00 0.00 C ATOM 358 O GLY A 23 5.674 18.933 -0.025 1.00 0.00 O ATOM 0 H GLY A 23 2.946 16.644 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.015 15.788 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.344 16.379 -1.475 1.00 0.00 H new ATOM 362 N GLY A 24 7.008 17.259 0.704 1.00 0.00 N ATOM 363 CA GLY A 24 7.987 18.150 1.303 1.00 0.00 C ATOM 364 C GLY A 24 8.415 17.648 2.683 1.00 0.00 C ATOM 365 O GLY A 24 8.377 18.396 3.659 1.00 0.00 O ATOM 0 H GLY A 24 7.221 16.266 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.859 18.227 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.566 19.152 1.391 1.00 0.00 H new ATOM 369 N GLY A 25 8.814 16.385 2.720 1.00 0.00 N ATOM 370 CA GLY A 25 9.249 15.774 3.964 1.00 0.00 C ATOM 371 C GLY A 25 8.227 14.748 4.458 1.00 0.00 C ATOM 372 O GLY A 25 8.589 13.770 5.109 1.00 0.00 O ATOM 0 H GLY A 25 8.845 15.768 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.214 15.289 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.391 16.545 4.722 1.00 0.00 H new ATOM 376 N ARG A 26 6.970 15.006 4.127 1.00 0.00 N ATOM 377 CA ARG A 26 5.894 14.117 4.528 1.00 0.00 C ATOM 378 C ARG A 26 5.943 12.822 3.714 1.00 0.00 C ATOM 379 O ARG A 26 6.503 11.823 4.163 1.00 0.00 O ATOM 380 CB ARG A 26 4.529 14.782 4.335 1.00 0.00 C ATOM 381 CG ARG A 26 4.146 15.615 5.560 1.00 0.00 C ATOM 382 CD ARG A 26 5.183 16.708 5.824 1.00 0.00 C ATOM 383 NE ARG A 26 4.508 17.955 6.249 1.00 0.00 N ATOM 384 CZ ARG A 26 5.122 19.140 6.367 1.00 0.00 C ATOM 385 NH1 ARG A 26 6.430 19.246 6.095 1.00 0.00 N ATOM 386 NH2 ARG A 26 4.429 20.218 6.759 1.00 0.00 N ATOM 0 H ARG A 26 6.673 15.818 3.586 1.00 0.00 H new ATOM 0 HA ARG A 26 6.029 13.890 5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.553 15.419 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.771 14.019 4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.167 16.067 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.064 14.968 6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.880 16.381 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.768 16.891 4.923 1.00 0.00 H new ATOM 0 HE ARG A 26 3.512 17.909 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.957 18.425 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.898 20.148 6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.434 20.136 6.968 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.897 21.120 6.849 1.00 0.00 H new ATOM 400 N ILE A 27 5.348 12.882 2.531 1.00 0.00 N ATOM 401 CA ILE A 27 5.317 11.727 1.651 1.00 0.00 C ATOM 402 C ILE A 27 6.727 11.144 1.530 1.00 0.00 C ATOM 403 O ILE A 27 6.891 9.964 1.225 1.00 0.00 O ATOM 404 CB ILE A 27 4.687 12.095 0.306 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.480 13.206 -0.386 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.212 12.465 0.474 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.623 13.923 -1.431 1.00 0.00 C ATOM 0 H ILE A 27 4.884 13.712 2.162 1.00 0.00 H new ATOM 0 HA ILE A 27 4.684 10.946 2.071 1.00 0.00 H new ATOM 0 HB ILE A 27 4.728 11.219 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.831 13.923 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.364 12.783 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.789 12.722 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.670 11.617 0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.125 13.319 1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.211 14.708 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.294 13.208 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.753 14.365 -0.946 1.00 0.00 H new ATOM 419 N GLU A 28 7.708 12.001 1.775 1.00 0.00 N ATOM 420 CA GLU A 28 9.099 11.585 1.698 1.00 0.00 C ATOM 421 C GLU A 28 9.301 10.263 2.439 1.00 0.00 C ATOM 422 O GLU A 28 10.250 9.531 2.165 1.00 0.00 O ATOM 423 CB GLU A 28 10.027 12.671 2.248 1.00 0.00 C ATOM 424 CG GLU A 28 11.486 12.376 1.896 1.00 0.00 C ATOM 425 CD GLU A 28 12.357 12.339 3.153 1.00 0.00 C ATOM 426 OE1 GLU A 28 11.810 11.962 4.212 1.00 0.00 O ATOM 427 OE2 GLU A 28 13.550 12.688 3.026 1.00 0.00 O ATOM 0 H GLU A 28 7.568 12.980 2.026 1.00 0.00 H new ATOM 0 HA GLU A 28 9.354 11.432 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.740 13.640 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.916 12.735 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.552 11.421 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.860 13.138 1.212 1.00 0.00 H new ATOM 434 N GLU A 29 8.392 9.997 3.367 1.00 0.00 N ATOM 435 CA GLU A 29 8.459 8.776 4.151 1.00 0.00 C ATOM 436 C GLU A 29 7.497 7.729 3.584 1.00 0.00 C ATOM 437 O GLU A 29 7.870 6.570 3.409 1.00 0.00 O ATOM 438 CB GLU A 29 8.160 9.054 5.625 1.00 0.00 C ATOM 439 CG GLU A 29 9.249 8.466 6.526 1.00 0.00 C ATOM 440 CD GLU A 29 8.637 7.628 7.650 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.011 6.599 7.315 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.808 8.036 8.820 1.00 0.00 O ATOM 0 H GLU A 29 7.606 10.606 3.593 1.00 0.00 H new ATOM 0 HA GLU A 29 9.473 8.382 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.089 10.129 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.193 8.626 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.923 7.848 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.847 9.271 6.952 1.00 0.00 H new ATOM 449 N LEU A 30 6.281 8.174 3.313 1.00 0.00 N ATOM 450 CA LEU A 30 5.263 7.291 2.770 1.00 0.00 C ATOM 451 C LEU A 30 5.800 6.619 1.504 1.00 0.00 C ATOM 452 O LEU A 30 5.832 5.393 1.414 1.00 0.00 O ATOM 453 CB LEU A 30 3.953 8.050 2.554 1.00 0.00 C ATOM 454 CG LEU A 30 3.127 8.334 3.811 1.00 0.00 C ATOM 455 CD1 LEU A 30 2.871 9.833 3.971 1.00 0.00 C ATOM 456 CD2 LEU A 30 1.826 7.527 3.806 1.00 0.00 C ATOM 0 H LEU A 30 5.976 9.136 3.459 1.00 0.00 H new ATOM 0 HA LEU A 30 5.030 6.497 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.182 9.000 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.336 7.480 1.859 1.00 0.00 H new ATOM 0 HG LEU A 30 3.703 8.011 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.282 10.007 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.823 10.358 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.325 10.204 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.258 7.747 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.234 7.796 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.058 6.463 3.774 1.00 0.00 H new ATOM 468 N LYS A 31 6.208 7.452 0.558 1.00 0.00 N ATOM 469 CA LYS A 31 6.742 6.954 -0.698 1.00 0.00 C ATOM 470 C LYS A 31 7.730 5.820 -0.414 1.00 0.00 C ATOM 471 O LYS A 31 7.905 4.925 -1.238 1.00 0.00 O ATOM 472 CB LYS A 31 7.341 8.100 -1.517 1.00 0.00 C ATOM 473 CG LYS A 31 6.260 8.813 -2.332 1.00 0.00 C ATOM 474 CD LYS A 31 6.695 8.983 -3.790 1.00 0.00 C ATOM 475 CE LYS A 31 6.453 7.700 -4.586 1.00 0.00 C ATOM 476 NZ LYS A 31 6.623 7.950 -6.035 1.00 0.00 N ATOM 0 H LYS A 31 6.179 8.469 0.636 1.00 0.00 H new ATOM 0 HA LYS A 31 5.944 6.536 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.829 8.812 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.109 7.711 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.332 8.243 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.054 9.790 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.144 9.807 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.752 9.246 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.148 6.926 -4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.447 7.328 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.455 7.069 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.943 8.673 -6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.591 8.284 -6.218 1.00 0.00 H new ATOM 490 N LYS A 32 8.348 5.897 0.755 1.00 0.00 N ATOM 491 CA LYS A 32 9.313 4.888 1.158 1.00 0.00 C ATOM 492 C LYS A 32 8.579 3.581 1.469 1.00 0.00 C ATOM 493 O LYS A 32 8.695 2.608 0.725 1.00 0.00 O ATOM 494 CB LYS A 32 10.173 5.401 2.316 1.00 0.00 C ATOM 495 CG LYS A 32 10.494 6.886 2.144 1.00 0.00 C ATOM 496 CD LYS A 32 11.656 7.305 3.047 1.00 0.00 C ATOM 497 CE LYS A 32 12.978 7.304 2.275 1.00 0.00 C ATOM 498 NZ LYS A 32 14.124 7.345 3.211 1.00 0.00 N ATOM 0 H LYS A 32 8.200 6.642 1.436 1.00 0.00 H new ATOM 0 HA LYS A 32 10.007 4.678 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.649 5.245 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.099 4.829 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.746 7.089 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.612 7.482 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.467 8.300 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.726 6.624 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.041 6.412 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.016 8.164 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.013 7.344 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.070 8.209 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.095 6.511 3.832 1.00 0.00 H new ATOM 512 N LYS A 33 7.841 3.602 2.569 1.00 0.00 N ATOM 513 CA LYS A 33 7.089 2.432 2.987 1.00 0.00 C ATOM 514 C LYS A 33 6.225 1.942 1.821 1.00 0.00 C ATOM 515 O LYS A 33 6.070 0.738 1.622 1.00 0.00 O ATOM 516 CB LYS A 33 6.292 2.732 4.258 1.00 0.00 C ATOM 517 CG LYS A 33 7.227 3.009 5.438 1.00 0.00 C ATOM 518 CD LYS A 33 6.877 2.120 6.633 1.00 0.00 C ATOM 519 CE LYS A 33 7.886 0.980 6.782 1.00 0.00 C ATOM 520 NZ LYS A 33 7.807 0.391 8.139 1.00 0.00 N ATOM 0 H LYS A 33 7.748 4.411 3.183 1.00 0.00 H new ATOM 0 HA LYS A 33 7.766 1.618 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.645 3.594 4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.644 1.888 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.260 2.832 5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.154 4.058 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.862 2.718 7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.875 1.710 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.689 0.212 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.894 1.352 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.498 -0.381 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.017 1.123 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.850 0.018 8.300 1.00 0.00 H new ATOM 534 N TRP A 34 5.687 2.901 1.082 1.00 0.00 N ATOM 535 CA TRP A 34 4.844 2.583 -0.057 1.00 0.00 C ATOM 536 C TRP A 34 5.679 1.772 -1.051 1.00 0.00 C ATOM 537 O TRP A 34 5.143 0.950 -1.792 1.00 0.00 O ATOM 538 CB TRP A 34 4.251 3.853 -0.671 1.00 0.00 C ATOM 539 CG TRP A 34 4.211 3.844 -2.200 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.183 4.195 -3.053 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.097 3.450 -3.030 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.779 4.056 -4.365 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.470 3.588 -4.351 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.816 2.991 -2.675 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.621 3.290 -5.422 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.979 2.696 -3.758 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.340 2.831 -5.093 1.00 0.00 C ATOM 0 H TRP A 34 5.819 3.898 1.250 1.00 0.00 H new ATOM 0 HA TRP A 34 3.989 1.982 0.251 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.238 3.989 -0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.834 4.712 -0.338 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.160 4.543 -2.751 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.338 4.259 -5.193 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.503 2.875 -1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.937 3.408 -6.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.017 2.339 -3.541 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.636 2.583 -5.873 1.00 0.00 H new ATOM 558 N GLU A 35 6.978 2.033 -1.035 1.00 0.00 N ATOM 559 CA GLU A 35 7.892 1.338 -1.926 1.00 0.00 C ATOM 560 C GLU A 35 8.189 -0.064 -1.392 1.00 0.00 C ATOM 561 O GLU A 35 8.364 -1.003 -2.167 1.00 0.00 O ATOM 562 CB GLU A 35 9.182 2.137 -2.120 1.00 0.00 C ATOM 563 CG GLU A 35 9.348 2.565 -3.579 1.00 0.00 C ATOM 564 CD GLU A 35 9.699 1.369 -4.465 1.00 0.00 C ATOM 565 OE1 GLU A 35 10.908 1.067 -4.560 1.00 0.00 O ATOM 566 OE2 GLU A 35 8.749 0.782 -5.028 1.00 0.00 O ATOM 0 H GLU A 35 7.419 2.716 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 35 7.415 1.240 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.168 3.018 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.037 1.534 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.426 3.026 -3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.131 3.319 -3.653 1.00 0.00 H new ATOM 573 N GLU A 36 8.239 -0.162 -0.072 1.00 0.00 N ATOM 574 CA GLU A 36 8.512 -1.435 0.575 1.00 0.00 C ATOM 575 C GLU A 36 7.220 -2.240 0.730 1.00 0.00 C ATOM 576 O GLU A 36 7.262 -3.447 0.960 1.00 0.00 O ATOM 577 CB GLU A 36 9.193 -1.226 1.930 1.00 0.00 C ATOM 578 CG GLU A 36 9.993 0.079 1.946 1.00 0.00 C ATOM 579 CD GLU A 36 11.214 -0.039 2.861 1.00 0.00 C ATOM 580 OE1 GLU A 36 10.997 -0.124 4.088 1.00 0.00 O ATOM 581 OE2 GLU A 36 12.337 -0.040 2.311 1.00 0.00 O ATOM 0 H GLU A 36 8.095 0.619 0.568 1.00 0.00 H new ATOM 0 HA GLU A 36 9.197 -2.002 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.442 -1.206 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.855 -2.065 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.315 0.325 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.357 0.896 2.286 1.00 0.00 H new ATOM 588 N LEU A 37 6.104 -1.539 0.597 1.00 0.00 N ATOM 589 CA LEU A 37 4.802 -2.174 0.718 1.00 0.00 C ATOM 590 C LEU A 37 4.441 -2.845 -0.609 1.00 0.00 C ATOM 591 O LEU A 37 4.195 -4.049 -0.653 1.00 0.00 O ATOM 592 CB LEU A 37 3.758 -1.166 1.203 1.00 0.00 C ATOM 593 CG LEU A 37 2.430 -1.159 0.443 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.724 -2.511 0.559 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.539 -0.005 0.907 1.00 0.00 C ATOM 0 H LEU A 37 6.074 -0.537 0.407 1.00 0.00 H new ATOM 0 HA LEU A 37 4.829 -2.958 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.551 -1.364 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.192 -0.168 1.146 1.00 0.00 H new ATOM 0 HG LEU A 37 2.642 -0.997 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.783 -2.478 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.361 -3.291 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.524 -2.728 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.602 -0.023 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.332 -0.111 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.048 0.942 0.729 1.00 0.00 H new ATOM 607 N LYS A 38 4.419 -2.035 -1.657 1.00 0.00 N ATOM 608 CA LYS A 38 4.091 -2.535 -2.982 1.00 0.00 C ATOM 609 C LYS A 38 4.945 -3.770 -3.281 1.00 0.00 C ATOM 610 O LYS A 38 4.510 -4.670 -3.999 1.00 0.00 O ATOM 611 CB LYS A 38 4.230 -1.424 -4.024 1.00 0.00 C ATOM 612 CG LYS A 38 4.085 -1.980 -5.441 1.00 0.00 C ATOM 613 CD LYS A 38 5.116 -1.356 -6.383 1.00 0.00 C ATOM 614 CE LYS A 38 4.793 0.115 -6.655 1.00 0.00 C ATOM 615 NZ LYS A 38 3.909 0.242 -7.836 1.00 0.00 N ATOM 0 H LYS A 38 4.623 -1.036 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 38 3.048 -2.849 -3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.472 -0.660 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.201 -0.940 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.210 -3.063 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.080 -1.781 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.111 -1.438 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.135 -1.907 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.310 0.555 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.715 0.671 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.700 1.246 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.384 -0.159 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.022 -0.272 -7.662 1.00 0.00 H new ATOM 629 N LYS A 39 6.144 -3.771 -2.718 1.00 0.00 N ATOM 630 CA LYS A 39 7.062 -4.880 -2.916 1.00 0.00 C ATOM 631 C LYS A 39 6.470 -6.145 -2.289 1.00 0.00 C ATOM 632 O LYS A 39 6.752 -7.254 -2.738 1.00 0.00 O ATOM 633 CB LYS A 39 8.453 -4.525 -2.387 1.00 0.00 C ATOM 634 CG LYS A 39 9.412 -5.709 -2.529 1.00 0.00 C ATOM 635 CD LYS A 39 10.515 -5.651 -1.470 1.00 0.00 C ATOM 636 CE LYS A 39 11.095 -7.041 -1.205 1.00 0.00 C ATOM 637 NZ LYS A 39 12.573 -7.004 -1.249 1.00 0.00 N ATOM 0 H LYS A 39 6.501 -3.022 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 39 7.192 -5.081 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.846 -3.667 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.384 -4.232 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.859 -6.643 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.857 -5.704 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.307 -4.980 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.114 -5.238 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.763 -7.400 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.721 -7.745 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.950 -7.956 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.884 -6.682 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.926 -6.348 -0.523 1.00 0.00 H new ATOM 651 N LYS A 40 5.662 -5.934 -1.260 1.00 0.00 N ATOM 652 CA LYS A 40 5.029 -7.044 -0.567 1.00 0.00 C ATOM 653 C LYS A 40 3.837 -7.539 -1.389 1.00 0.00 C ATOM 654 O LYS A 40 3.721 -8.732 -1.664 1.00 0.00 O ATOM 655 CB LYS A 40 4.665 -6.643 0.864 1.00 0.00 C ATOM 656 CG LYS A 40 5.540 -7.381 1.879 1.00 0.00 C ATOM 657 CD LYS A 40 6.881 -6.669 2.067 1.00 0.00 C ATOM 658 CE LYS A 40 7.211 -6.502 3.552 1.00 0.00 C ATOM 659 NZ LYS A 40 6.696 -5.209 4.056 1.00 0.00 N ATOM 0 H LYS A 40 5.431 -5.012 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 40 5.722 -7.880 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.788 -5.567 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.615 -6.867 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.020 -7.444 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.711 -8.403 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.671 -7.239 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.848 -5.691 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.773 -7.321 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.290 -6.552 3.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.729 -5.204 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.283 -4.434 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.714 -5.080 3.740 1.00 0.00 H new ATOM 673 N ILE A 41 2.981 -6.597 -1.757 1.00 0.00 N ATOM 674 CA ILE A 41 1.802 -6.922 -2.542 1.00 0.00 C ATOM 675 C ILE A 41 2.234 -7.556 -3.866 1.00 0.00 C ATOM 676 O ILE A 41 1.436 -8.206 -4.538 1.00 0.00 O ATOM 677 CB ILE A 41 0.914 -5.688 -2.712 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.766 -4.932 -1.390 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.443 -6.067 -3.310 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.446 -4.000 -1.424 1.00 0.00 C ATOM 0 H ILE A 41 3.080 -5.608 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 41 1.189 -7.658 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 41 1.400 -5.013 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.660 -5.643 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.669 -4.353 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.055 -5.172 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.294 -6.528 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.948 -6.772 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.528 -3.475 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.325 -3.275 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.350 -4.585 -1.595 1.00 0.00 H new ATOM 692 N GLU A 42 3.499 -7.343 -4.201 1.00 0.00 N ATOM 693 CA GLU A 42 4.048 -7.886 -5.432 1.00 0.00 C ATOM 694 C GLU A 42 4.364 -9.372 -5.264 1.00 0.00 C ATOM 695 O GLU A 42 3.889 -10.204 -6.036 1.00 0.00 O ATOM 696 CB GLU A 42 5.290 -7.106 -5.868 1.00 0.00 C ATOM 697 CG GLU A 42 4.972 -6.179 -7.044 1.00 0.00 C ATOM 698 CD GLU A 42 4.728 -6.981 -8.324 1.00 0.00 C ATOM 699 OE1 GLU A 42 3.580 -7.446 -8.492 1.00 0.00 O ATOM 700 OE2 GLU A 42 5.695 -7.110 -9.106 1.00 0.00 O ATOM 0 H GLU A 42 4.159 -6.802 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 42 3.299 -7.782 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.668 -6.520 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.079 -7.802 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.091 -5.581 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.798 -5.484 -7.198 1.00 0.00 H new ATOM 707 N GLU A 43 5.165 -9.662 -4.249 1.00 0.00 N ATOM 708 CA GLU A 43 5.550 -11.035 -3.968 1.00 0.00 C ATOM 709 C GLU A 43 4.390 -11.790 -3.316 1.00 0.00 C ATOM 710 O GLU A 43 4.466 -13.002 -3.118 1.00 0.00 O ATOM 711 CB GLU A 43 6.801 -11.084 -3.088 1.00 0.00 C ATOM 712 CG GLU A 43 7.790 -12.134 -3.599 1.00 0.00 C ATOM 713 CD GLU A 43 8.653 -12.677 -2.458 1.00 0.00 C ATOM 714 OE1 GLU A 43 8.091 -13.426 -1.629 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.853 -12.329 -2.439 1.00 0.00 O ATOM 0 H GLU A 43 5.558 -8.970 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 43 5.790 -11.525 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.279 -10.105 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.519 -11.315 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.246 -12.953 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.429 -11.694 -4.365 1.00 0.00 H new ATOM 722 N LEU A 44 3.344 -11.042 -2.999 1.00 0.00 N ATOM 723 CA LEU A 44 2.169 -11.626 -2.373 1.00 0.00 C ATOM 724 C LEU A 44 1.855 -12.967 -3.039 1.00 0.00 C ATOM 725 O LEU A 44 1.346 -13.004 -4.158 1.00 0.00 O ATOM 726 CB LEU A 44 1.001 -10.638 -2.400 1.00 0.00 C ATOM 727 CG LEU A 44 0.698 -9.922 -1.082 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.546 -9.040 -1.210 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.575 -10.922 0.069 1.00 0.00 C ATOM 0 H LEU A 44 3.285 -10.037 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 44 2.360 -11.830 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.205 -9.885 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.105 -11.174 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 44 1.536 -9.265 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.739 -8.543 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.383 -8.291 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.404 -9.657 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.360 -10.387 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.233 -11.622 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.511 -11.470 0.176 1.00 0.00 H new ATOM 741 N GLY A 45 2.171 -14.035 -2.323 1.00 0.00 N ATOM 742 CA GLY A 45 1.929 -15.376 -2.830 1.00 0.00 C ATOM 743 C GLY A 45 2.424 -16.433 -1.841 1.00 0.00 C ATOM 744 O GLY A 45 2.871 -16.102 -0.743 1.00 0.00 O ATOM 0 H GLY A 45 2.593 -14.000 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.863 -15.513 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.434 -15.503 -3.787 1.00 0.00 H new ATOM 748 N GLY A 46 2.328 -17.684 -2.266 1.00 0.00 N ATOM 749 CA GLY A 46 2.760 -18.794 -1.431 1.00 0.00 C ATOM 750 C GLY A 46 2.424 -18.537 0.039 1.00 0.00 C ATOM 751 O GLY A 46 3.291 -18.639 0.905 1.00 0.00 O ATOM 0 H GLY A 46 1.958 -17.954 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.277 -19.713 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.834 -18.941 -1.542 1.00 0.00 H new ATOM 755 N GLY A 47 1.161 -18.210 0.276 1.00 0.00 N ATOM 756 CA GLY A 47 0.699 -17.940 1.626 1.00 0.00 C ATOM 757 C GLY A 47 -0.267 -16.753 1.647 1.00 0.00 C ATOM 758 O GLY A 47 -0.039 -15.750 0.972 1.00 0.00 O ATOM 0 H GLY A 47 0.444 -18.126 -0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.204 -18.824 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.552 -17.731 2.271 1.00 0.00 H new ATOM 762 N GLY A 48 -1.326 -16.908 2.428 1.00 0.00 N ATOM 763 CA GLY A 48 -2.328 -15.862 2.546 1.00 0.00 C ATOM 764 C GLY A 48 -1.970 -14.883 3.667 1.00 0.00 C ATOM 765 O GLY A 48 -2.824 -14.519 4.474 1.00 0.00 O ATOM 0 H GLY A 48 -1.512 -17.742 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.410 -15.324 1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.303 -16.308 2.745 1.00 0.00 H new ATOM 769 N GLU A 49 -0.706 -14.486 3.681 1.00 0.00 N ATOM 770 CA GLU A 49 -0.225 -13.557 4.689 1.00 0.00 C ATOM 771 C GLU A 49 -0.402 -12.114 4.210 1.00 0.00 C ATOM 772 O GLU A 49 0.460 -11.269 4.444 1.00 0.00 O ATOM 773 CB GLU A 49 1.235 -13.841 5.044 1.00 0.00 C ATOM 774 CG GLU A 49 1.336 -14.845 6.195 1.00 0.00 C ATOM 775 CD GLU A 49 2.724 -14.806 6.837 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.290 -13.693 6.899 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.188 -15.891 7.251 1.00 0.00 O ATOM 0 H GLU A 49 -0.000 -14.791 3.010 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.818 -13.694 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.756 -14.231 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.732 -12.912 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.578 -14.621 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.131 -15.850 5.825 1.00 0.00 H new ATOM 784 N VAL A 50 -1.526 -11.879 3.550 1.00 0.00 N ATOM 785 CA VAL A 50 -1.828 -10.553 3.036 1.00 0.00 C ATOM 786 C VAL A 50 -2.295 -9.659 4.186 1.00 0.00 C ATOM 787 O VAL A 50 -2.064 -8.452 4.172 1.00 0.00 O ATOM 788 CB VAL A 50 -2.850 -10.651 1.903 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.115 -9.279 1.281 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.397 -11.655 0.841 1.00 0.00 C ATOM 0 H VAL A 50 -2.239 -12.583 3.359 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.934 -10.096 2.611 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.786 -11.012 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.845 -9.378 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.503 -8.603 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.186 -8.877 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.142 -11.705 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.442 -11.337 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.284 -12.639 1.295 1.00 0.00 H new ATOM 800 N LYS A 51 -2.944 -10.287 5.156 1.00 0.00 N ATOM 801 CA LYS A 51 -3.446 -9.563 6.312 1.00 0.00 C ATOM 802 C LYS A 51 -2.452 -8.463 6.690 1.00 0.00 C ATOM 803 O LYS A 51 -2.847 -7.406 7.179 1.00 0.00 O ATOM 804 CB LYS A 51 -3.757 -10.530 7.456 1.00 0.00 C ATOM 805 CG LYS A 51 -5.158 -11.127 7.304 1.00 0.00 C ATOM 806 CD LYS A 51 -5.367 -12.290 8.276 1.00 0.00 C ATOM 807 CE LYS A 51 -6.641 -13.067 7.936 1.00 0.00 C ATOM 808 NZ LYS A 51 -6.353 -14.515 7.837 1.00 0.00 N ATOM 0 H LYS A 51 -3.134 -11.289 5.165 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.390 -9.073 6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.017 -11.330 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.682 -10.007 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.907 -10.357 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.300 -11.474 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.508 -12.959 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.430 -11.910 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.396 -12.892 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.053 -12.707 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.228 -15.028 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.648 -14.678 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.981 -14.858 8.746 1.00 0.00 H new ATOM 822 N LYS A 52 -1.180 -8.750 6.451 1.00 0.00 N ATOM 823 CA LYS A 52 -0.128 -7.799 6.760 1.00 0.00 C ATOM 824 C LYS A 52 -0.182 -6.642 5.760 1.00 0.00 C ATOM 825 O LYS A 52 -0.347 -5.486 6.151 1.00 0.00 O ATOM 826 CB LYS A 52 1.231 -8.501 6.813 1.00 0.00 C ATOM 827 CG LYS A 52 1.683 -8.709 8.260 1.00 0.00 C ATOM 828 CD LYS A 52 3.033 -9.429 8.314 1.00 0.00 C ATOM 829 CE LYS A 52 3.328 -9.938 9.727 1.00 0.00 C ATOM 830 NZ LYS A 52 3.721 -11.363 9.693 1.00 0.00 N ATOM 0 H LYS A 52 -0.855 -9.628 6.047 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.280 -7.373 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.167 -9.464 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.972 -7.907 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.760 -7.745 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.935 -9.290 8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.031 -10.266 7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.824 -8.750 7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.126 -9.345 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.447 -9.813 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.918 -11.692 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.948 -11.927 9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.575 -11.474 9.109 1.00 0.00 H new ATOM 844 N VAL A 53 -0.042 -6.991 4.490 1.00 0.00 N ATOM 845 CA VAL A 53 -0.073 -5.996 3.433 1.00 0.00 C ATOM 846 C VAL A 53 -1.189 -4.989 3.718 1.00 0.00 C ATOM 847 O VAL A 53 -0.923 -3.810 3.949 1.00 0.00 O ATOM 848 CB VAL A 53 -0.221 -6.682 2.073 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.158 -5.891 1.159 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.144 -6.889 1.412 1.00 0.00 C ATOM 0 H VAL A 53 0.093 -7.950 4.169 1.00 0.00 H new ATOM 0 HA VAL A 53 0.865 -5.442 3.403 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.665 -7.663 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.246 -6.400 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.142 -5.818 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.755 -4.890 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.011 -7.378 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.627 -5.923 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.767 -7.513 2.052 1.00 0.00 H new ATOM 860 N GLU A 54 -2.415 -5.490 3.695 1.00 0.00 N ATOM 861 CA GLU A 54 -3.573 -4.650 3.947 1.00 0.00 C ATOM 862 C GLU A 54 -3.318 -3.745 5.155 1.00 0.00 C ATOM 863 O GLU A 54 -3.511 -2.533 5.078 1.00 0.00 O ATOM 864 CB GLU A 54 -4.831 -5.496 4.152 1.00 0.00 C ATOM 865 CG GLU A 54 -5.005 -6.504 3.015 1.00 0.00 C ATOM 866 CD GLU A 54 -6.345 -6.301 2.303 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.684 -5.124 2.058 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.999 -7.329 2.021 1.00 0.00 O ATOM 0 H GLU A 54 -2.632 -6.469 3.505 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.738 -4.020 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.768 -6.023 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.705 -4.847 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.189 -6.396 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.949 -7.518 3.411 1.00 0.00 H new ATOM 875 N GLU A 55 -2.889 -4.370 6.241 1.00 0.00 N ATOM 876 CA GLU A 55 -2.605 -3.637 7.464 1.00 0.00 C ATOM 877 C GLU A 55 -1.469 -2.639 7.232 1.00 0.00 C ATOM 878 O GLU A 55 -1.392 -1.612 7.906 1.00 0.00 O ATOM 879 CB GLU A 55 -2.272 -4.591 8.612 1.00 0.00 C ATOM 880 CG GLU A 55 -3.362 -4.562 9.684 1.00 0.00 C ATOM 881 CD GLU A 55 -2.890 -3.800 10.924 1.00 0.00 C ATOM 882 OE1 GLU A 55 -2.418 -2.656 10.743 1.00 0.00 O ATOM 883 OE2 GLU A 55 -3.013 -4.378 12.026 1.00 0.00 O ATOM 0 H GLU A 55 -2.731 -5.376 6.300 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.499 -3.081 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.163 -5.605 8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.315 -4.313 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.259 -4.091 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.633 -5.581 9.960 1.00 0.00 H new ATOM 890 N GLU A 56 -0.613 -2.975 6.277 1.00 0.00 N ATOM 891 CA GLU A 56 0.515 -2.121 5.949 1.00 0.00 C ATOM 892 C GLU A 56 0.056 -0.942 5.090 1.00 0.00 C ATOM 893 O GLU A 56 0.496 0.188 5.296 1.00 0.00 O ATOM 894 CB GLU A 56 1.616 -2.916 5.245 1.00 0.00 C ATOM 895 CG GLU A 56 2.597 -1.982 4.532 1.00 0.00 C ATOM 896 CD GLU A 56 3.888 -2.717 4.166 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.769 -3.814 3.578 1.00 0.00 O ATOM 898 OE2 GLU A 56 4.964 -2.166 4.482 1.00 0.00 O ATOM 0 H GLU A 56 -0.679 -3.827 5.720 1.00 0.00 H new ATOM 0 HA GLU A 56 0.931 -1.728 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.152 -3.525 5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.170 -3.601 4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.134 -1.583 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.828 -1.132 5.175 1.00 0.00 H new ATOM 905 N VAL A 57 -0.822 -1.245 4.145 1.00 0.00 N ATOM 906 CA VAL A 57 -1.346 -0.223 3.254 1.00 0.00 C ATOM 907 C VAL A 57 -2.247 0.725 4.047 1.00 0.00 C ATOM 908 O VAL A 57 -2.407 1.887 3.678 1.00 0.00 O ATOM 909 CB VAL A 57 -2.060 -0.877 2.070 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.498 0.171 1.047 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.178 -1.945 1.419 1.00 0.00 C ATOM 0 H VAL A 57 -1.184 -2.184 3.977 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.534 0.373 2.837 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.956 -1.369 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.003 -0.321 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.181 0.877 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.623 0.705 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.710 -2.394 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.256 -1.487 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.939 -2.716 2.152 1.00 0.00 H new ATOM 921 N LYS A 58 -2.812 0.194 5.121 1.00 0.00 N ATOM 922 CA LYS A 58 -3.693 0.979 5.968 1.00 0.00 C ATOM 923 C LYS A 58 -2.912 2.155 6.559 1.00 0.00 C ATOM 924 O LYS A 58 -3.333 3.305 6.443 1.00 0.00 O ATOM 925 CB LYS A 58 -4.355 0.089 7.023 1.00 0.00 C ATOM 926 CG LYS A 58 -5.727 0.638 7.420 1.00 0.00 C ATOM 927 CD LYS A 58 -6.842 -0.332 7.024 1.00 0.00 C ATOM 928 CE LYS A 58 -8.211 0.345 7.102 1.00 0.00 C ATOM 929 NZ LYS A 58 -9.249 -0.512 6.485 1.00 0.00 N ATOM 0 H LYS A 58 -2.677 -0.771 5.424 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.509 1.400 5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.463 -0.923 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.716 0.026 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.756 0.811 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.890 1.602 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.670 -0.696 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.824 -1.201 7.682 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.466 0.543 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.177 1.308 6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.172 -0.038 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.012 -0.680 5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.293 -1.421 6.988 1.00 0.00 H new ATOM 943 N LYS A 59 -1.788 1.825 7.178 1.00 0.00 N ATOM 944 CA LYS A 59 -0.945 2.840 7.787 1.00 0.00 C ATOM 945 C LYS A 59 -0.856 4.050 6.855 1.00 0.00 C ATOM 946 O LYS A 59 -0.889 5.192 7.311 1.00 0.00 O ATOM 947 CB LYS A 59 0.417 2.251 8.161 1.00 0.00 C ATOM 948 CG LYS A 59 1.205 3.213 9.051 1.00 0.00 C ATOM 949 CD LYS A 59 2.711 2.971 8.923 1.00 0.00 C ATOM 950 CE LYS A 59 3.476 4.294 8.859 1.00 0.00 C ATOM 951 NZ LYS A 59 4.879 4.102 9.291 1.00 0.00 N ATOM 0 H LYS A 59 -1.442 0.870 7.271 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.384 3.189 8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.277 1.303 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.986 2.039 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.974 4.242 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.900 3.086 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.062 2.385 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.914 2.386 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.453 4.686 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.991 5.033 9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.456 4.903 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.918 4.049 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.250 3.219 8.885 1.00 0.00 H new ATOM 965 N LEU A 60 -0.746 3.758 5.567 1.00 0.00 N ATOM 966 CA LEU A 60 -0.653 4.809 4.568 1.00 0.00 C ATOM 967 C LEU A 60 -1.937 5.638 4.585 1.00 0.00 C ATOM 968 O LEU A 60 -1.935 6.783 5.035 1.00 0.00 O ATOM 969 CB LEU A 60 -0.323 4.215 3.197 1.00 0.00 C ATOM 970 CG LEU A 60 1.147 4.274 2.776 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.667 2.883 2.403 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.355 5.286 1.648 1.00 0.00 C ATOM 0 H LEU A 60 -0.719 2.810 5.193 1.00 0.00 H new ATOM 0 HA LEU A 60 0.167 5.487 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.641 3.172 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.917 4.735 2.445 1.00 0.00 H new ATOM 0 HG LEU A 60 1.733 4.619 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.714 2.953 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.576 2.218 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.082 2.486 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.408 5.308 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.756 4.997 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.049 6.276 1.986 1.00 0.00 H new ATOM 984 N GLU A 61 -3.005 5.030 4.088 1.00 0.00 N ATOM 985 CA GLU A 61 -4.294 5.699 4.042 1.00 0.00 C ATOM 986 C GLU A 61 -4.498 6.548 5.297 1.00 0.00 C ATOM 987 O GLU A 61 -4.701 7.757 5.207 1.00 0.00 O ATOM 988 CB GLU A 61 -5.430 4.689 3.873 1.00 0.00 C ATOM 989 CG GLU A 61 -5.182 3.781 2.666 1.00 0.00 C ATOM 990 CD GLU A 61 -5.242 2.305 3.067 1.00 0.00 C ATOM 991 OE1 GLU A 61 -6.073 1.990 3.946 1.00 0.00 O ATOM 992 OE2 GLU A 61 -4.455 1.527 2.487 1.00 0.00 O ATOM 0 H GLU A 61 -3.004 4.081 3.714 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.307 6.360 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.521 4.084 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.375 5.217 3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.927 3.983 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.207 4.004 2.233 1.00 0.00 H new ATOM 999 N GLU A 62 -4.436 5.881 6.441 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.610 6.559 7.714 1.00 0.00 C ATOM 1001 C GLU A 62 -3.736 7.814 7.770 1.00 0.00 C ATOM 1002 O GLU A 62 -4.249 8.932 7.791 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.300 5.622 8.881 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.582 5.206 9.607 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.908 6.179 10.743 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -6.012 7.388 10.444 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -6.046 5.691 11.886 1.00 0.00 O ATOM 0 H GLU A 62 -4.268 4.878 6.512 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.653 6.862 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.783 4.736 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.626 6.117 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.411 5.175 8.900 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.467 4.199 10.007 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.431 7.587 7.795 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.482 8.685 7.849 1.00 0.00 C ATOM 1016 C GLU A 63 -1.755 9.680 6.720 1.00 0.00 C ATOM 1017 O GLU A 63 -1.885 10.879 6.962 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.043 8.169 7.789 1.00 0.00 C ATOM 1019 CG GLU A 63 0.832 8.855 8.840 1.00 0.00 C ATOM 1020 CD GLU A 63 0.869 8.043 10.137 1.00 0.00 C ATOM 1021 OE1 GLU A 63 1.330 6.884 10.067 1.00 0.00 O ATOM 1022 OE2 GLU A 63 0.437 8.602 11.169 1.00 0.00 O ATOM 0 H GLU A 63 -2.009 6.659 7.779 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.609 9.202 8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.033 7.091 7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.369 8.347 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.844 8.976 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.447 9.854 9.043 1.00 0.00 H new ATOM 1029 N ILE A 64 -1.834 9.146 5.510 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.090 9.971 4.342 1.00 0.00 C ATOM 1031 C ILE A 64 -3.359 10.795 4.574 1.00 0.00 C ATOM 1032 O ILE A 64 -3.429 11.957 4.177 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.137 9.112 3.078 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -0.783 8.449 2.815 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.617 9.929 1.877 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -0.663 8.006 1.355 1.00 0.00 C ATOM 0 H ILE A 64 -1.725 8.151 5.313 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.274 10.677 4.188 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.862 8.313 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.020 9.146 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.663 7.587 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.641 9.294 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.617 10.314 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.935 10.762 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.308 7.538 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.453 7.290 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.759 8.874 0.702 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.329 10.161 5.214 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.591 10.820 5.503 1.00 0.00 C ATOM 1050 C LYS A 65 -5.352 11.956 6.499 1.00 0.00 C ATOM 1051 O LYS A 65 -6.134 12.903 6.567 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.633 9.802 5.970 1.00 0.00 C ATOM 1053 CG LYS A 65 -8.048 10.375 5.861 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.100 9.285 6.077 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.382 8.530 4.777 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.592 7.689 4.918 1.00 0.00 N ATOM 0 H LYS A 65 -4.267 9.197 5.541 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.001 11.269 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.556 8.896 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.431 9.517 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.182 11.166 6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.186 10.829 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.754 8.587 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.022 9.733 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.518 9.239 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.526 7.906 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.769 7.183 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.449 7.000 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.409 8.292 5.142 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.267 11.825 7.249 1.00 0.00 N ATOM 1071 CA LYS A 66 -3.915 12.828 8.239 1.00 0.00 C ATOM 1072 C LYS A 66 -3.141 13.959 7.559 1.00 0.00 C ATOM 1073 O LYS A 66 -3.179 15.102 8.012 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.167 12.187 9.409 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.558 12.842 10.735 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.426 13.724 11.267 1.00 0.00 C ATOM 1077 CE LYS A 66 -2.818 14.380 12.592 1.00 0.00 C ATOM 1078 NZ LYS A 66 -1.667 14.397 13.522 1.00 0.00 N ATOM 0 H LYS A 66 -3.620 11.039 7.190 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.813 13.270 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.389 11.121 9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.092 12.283 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.457 13.443 10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.799 12.072 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.527 13.123 11.407 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.185 14.493 10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.163 15.398 12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.649 13.836 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.950 14.846 14.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.356 13.422 13.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.885 14.935 13.097 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.456 13.601 6.483 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.674 14.571 5.737 1.00 0.00 C ATOM 1094 C LEU A 67 -2.583 15.716 5.288 1.00 0.00 C ATOM 1095 O LEU A 67 -3.804 15.629 5.411 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.931 13.889 4.585 1.00 0.00 C ATOM 1097 CG LEU A 67 0.426 13.275 4.934 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.771 12.130 3.979 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.520 14.344 4.967 1.00 0.00 C ATOM 0 H LEU A 67 -2.427 12.652 6.110 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.902 15.006 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.570 13.104 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.783 14.620 3.790 1.00 0.00 H new ATOM 0 HG LEU A 67 0.362 12.851 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.740 11.711 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.008 11.355 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.811 12.508 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.474 13.880 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.593 14.820 3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.273 15.094 5.718 1.00 0.00 H new TER 1111 LEU A 67