USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 563 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 6 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.078) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -18:sc= 0.226 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 81:sc= 0.503 USER MOD Single : A 70 GLN : amide:sc= -0.621 K(o=-0.62,f=-0.1) USER MOD Single : A 74 THR OG1 : rot -45:sc= -1.36! USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 96 SER OG : rot 68:sc= 0.951 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 6.632 13.647 -12.585 1.00 1.00 N ATOM 47 CA GLU A 4 6.075 12.861 -11.490 1.00 1.00 C ATOM 48 C GLU A 4 4.584 13.133 -11.342 1.00 1.00 C ATOM 49 O GLU A 4 3.790 12.212 -11.151 1.00 1.00 O ATOM 50 CB GLU A 4 6.792 13.205 -10.183 1.00 1.00 C ATOM 51 CG GLU A 4 6.470 14.646 -9.787 1.00 1.00 C ATOM 52 CD GLU A 4 7.465 15.135 -8.740 1.00 1.00 C ATOM 53 OE1 GLU A 4 8.656 14.985 -8.968 1.00 1.00 O ATOM 54 OE2 GLU A 4 7.024 15.654 -7.729 1.00 1.00 O ATOM 0 HA GLU A 4 6.219 11.804 -11.715 1.00 1.00 H new ATOM 0 HB2 GLU A 4 6.479 12.521 -9.394 1.00 1.00 H new ATOM 0 HB3 GLU A 4 7.868 13.082 -10.303 1.00 1.00 H new ATOM 0 HG2 GLU A 4 6.508 15.290 -10.665 1.00 1.00 H new ATOM 0 HG3 GLU A 4 5.456 14.705 -9.392 1.00 1.00 H new ATOM 61 N LEU A 5 4.207 14.406 -11.428 1.00 1.00 N ATOM 62 CA LEU A 5 2.806 14.788 -11.302 1.00 1.00 C ATOM 63 C LEU A 5 1.970 14.122 -12.389 1.00 1.00 C ATOM 64 O LEU A 5 0.850 13.674 -12.138 1.00 1.00 O ATOM 65 CB LEU A 5 2.668 16.309 -11.411 1.00 1.00 C ATOM 66 CG LEU A 5 1.877 16.838 -10.213 1.00 1.00 C ATOM 67 CD1 LEU A 5 1.736 18.357 -10.325 1.00 1.00 C ATOM 68 CD2 LEU A 5 0.486 16.198 -10.198 1.00 1.00 C ATOM 0 H LEU A 5 4.848 15.184 -11.583 1.00 1.00 H new ATOM 0 HA LEU A 5 2.445 14.459 -10.328 1.00 1.00 H new ATOM 0 HB2 LEU A 5 3.654 16.773 -11.442 1.00 1.00 H new ATOM 0 HB3 LEU A 5 2.162 16.573 -12.340 1.00 1.00 H new ATOM 0 HG LEU A 5 2.403 16.588 -9.292 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.172 18.734 -9.472 1.00 1.00 H new ATOM 0 HD12 LEU A 5 2.725 18.814 -10.337 1.00 1.00 H new ATOM 0 HD13 LEU A 5 1.210 18.607 -11.246 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.078 16.574 -9.345 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -0.040 16.448 -11.120 1.00 1.00 H new ATOM 0 HD23 LEU A 5 0.584 15.115 -10.119 1.00 1.00 H new ATOM 80 N GLN A 6 2.519 14.057 -13.597 1.00 1.00 N ATOM 81 CA GLN A 6 1.815 13.442 -14.715 1.00 1.00 C ATOM 82 C GLN A 6 1.547 11.967 -14.433 1.00 1.00 C ATOM 83 O GLN A 6 0.436 11.478 -14.634 1.00 1.00 O ATOM 84 CB GLN A 6 2.645 13.578 -15.994 1.00 1.00 C ATOM 85 CG GLN A 6 2.998 15.049 -16.219 1.00 1.00 C ATOM 86 CD GLN A 6 1.733 15.851 -16.503 1.00 1.00 C ATOM 87 OE1 GLN A 6 1.527 16.915 -15.918 1.00 1.00 O ATOM 88 NE2 GLN A 6 0.869 15.404 -17.371 1.00 1.00 N ATOM 0 H GLN A 6 3.444 14.421 -13.826 1.00 1.00 H new ATOM 0 HA GLN A 6 0.862 13.954 -14.846 1.00 1.00 H new ATOM 0 HB2 GLN A 6 3.555 12.983 -15.915 1.00 1.00 H new ATOM 0 HB3 GLN A 6 2.085 13.193 -16.846 1.00 1.00 H new ATOM 0 HG2 GLN A 6 3.502 15.449 -15.339 1.00 1.00 H new ATOM 0 HG3 GLN A 6 3.692 15.141 -17.054 1.00 1.00 H new ATOM 0 HE21 GLN A 6 1.041 14.523 -17.855 1.00 1.00 H new ATOM 0 HE22 GLN A 6 0.021 15.936 -17.567 1.00 1.00 H new ATOM 97 N CYS A 7 2.573 11.262 -13.967 1.00 1.00 N ATOM 98 CA CYS A 7 2.437 9.845 -13.659 1.00 1.00 C ATOM 99 C CYS A 7 1.401 9.630 -12.561 1.00 1.00 C ATOM 100 O CYS A 7 0.731 8.603 -12.519 1.00 1.00 O ATOM 101 CB CYS A 7 3.785 9.275 -13.210 1.00 1.00 C ATOM 102 SG CYS A 7 4.036 7.651 -13.969 1.00 1.00 S ATOM 0 H CYS A 7 3.502 11.647 -13.796 1.00 1.00 H new ATOM 0 HA CYS A 7 2.106 9.329 -14.560 1.00 1.00 H new ATOM 0 HB2 CYS A 7 4.591 9.951 -13.496 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.812 9.189 -12.124 1.00 1.00 H new ATOM 0 HG CYS A 7 5.182 7.167 -13.590 1.00 1.00 H new ATOM 107 N ILE A 8 1.279 10.609 -11.673 1.00 1.00 N ATOM 108 CA ILE A 8 0.322 10.523 -10.576 1.00 1.00 C ATOM 109 C ILE A 8 -1.111 10.654 -11.089 1.00 1.00 C ATOM 110 O ILE A 8 -2.036 10.066 -10.532 1.00 1.00 O ATOM 111 CB ILE A 8 0.601 11.626 -9.553 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.760 11.199 -8.649 1.00 1.00 C ATOM 113 CG2 ILE A 8 -0.648 11.862 -8.703 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.286 12.416 -7.885 1.00 1.00 C ATOM 0 H ILE A 8 1.828 11.468 -11.690 1.00 1.00 H new ATOM 0 HA ILE A 8 0.434 9.547 -10.103 1.00 1.00 H new ATOM 0 HB ILE A 8 0.864 12.547 -10.073 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.426 10.433 -7.949 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.558 10.758 -9.247 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.449 12.648 -7.974 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.474 12.165 -9.346 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.912 10.942 -8.182 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.111 12.112 -7.241 1.00 1.00 H new ATOM 0 HD12 ILE A 8 2.636 13.167 -8.593 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.486 12.837 -7.276 1.00 1.00 H new ATOM 126 N ARG A 9 -1.287 11.449 -12.140 1.00 1.00 N ATOM 127 CA ARG A 9 -2.613 11.675 -12.706 1.00 1.00 C ATOM 128 C ARG A 9 -3.268 10.367 -13.145 1.00 1.00 C ATOM 129 O ARG A 9 -4.454 10.150 -12.895 1.00 1.00 O ATOM 130 CB ARG A 9 -2.507 12.617 -13.907 1.00 1.00 C ATOM 131 CG ARG A 9 -3.909 13.038 -14.352 1.00 1.00 C ATOM 132 CD ARG A 9 -3.802 14.128 -15.419 1.00 1.00 C ATOM 133 NE ARG A 9 -2.990 15.236 -14.927 1.00 1.00 N ATOM 134 CZ ARG A 9 -3.441 16.050 -13.978 1.00 1.00 C ATOM 135 NH1 ARG A 9 -4.628 15.863 -13.467 1.00 1.00 N ATOM 136 NH2 ARG A 9 -2.697 17.035 -13.556 1.00 1.00 N ATOM 0 H ARG A 9 -0.533 11.945 -12.615 1.00 1.00 H new ATOM 0 HA ARG A 9 -3.235 12.123 -11.931 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.919 13.496 -13.642 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -1.988 12.121 -14.727 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -4.449 12.178 -14.749 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -4.478 13.406 -13.498 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -3.358 13.717 -16.326 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -4.797 14.486 -15.685 1.00 1.00 H new ATOM 0 HE ARG A 9 -2.060 15.388 -15.318 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -5.209 15.092 -13.796 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -4.974 16.488 -12.739 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -1.769 17.180 -13.954 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -3.043 17.660 -12.828 1.00 1.00 H new ATOM 150 N GLU A 10 -2.506 9.498 -13.800 1.00 1.00 N ATOM 151 CA GLU A 10 -3.054 8.226 -14.260 1.00 1.00 C ATOM 152 C GLU A 10 -3.481 7.364 -13.073 1.00 1.00 C ATOM 153 O GLU A 10 -4.464 6.626 -13.152 1.00 1.00 O ATOM 154 CB GLU A 10 -2.033 7.484 -15.140 1.00 1.00 C ATOM 155 CG GLU A 10 -1.093 6.629 -14.283 1.00 1.00 C ATOM 156 CD GLU A 10 -1.733 5.279 -13.965 1.00 1.00 C ATOM 157 OE1 GLU A 10 -2.872 5.075 -14.350 1.00 1.00 O ATOM 158 OE2 GLU A 10 -1.066 4.466 -13.345 1.00 1.00 O ATOM 0 H GLU A 10 -1.522 9.647 -14.022 1.00 1.00 H new ATOM 0 HA GLU A 10 -3.938 8.429 -14.865 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -2.556 6.850 -15.856 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -1.452 8.204 -15.716 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -0.151 6.476 -14.809 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -0.859 7.154 -13.357 1.00 1.00 H new ATOM 165 N CYS A 11 -2.738 7.461 -11.974 1.00 1.00 N ATOM 166 CA CYS A 11 -3.053 6.687 -10.779 1.00 1.00 C ATOM 167 C CYS A 11 -4.280 7.258 -10.079 1.00 1.00 C ATOM 168 O CYS A 11 -5.072 6.520 -9.491 1.00 1.00 O ATOM 169 CB CYS A 11 -1.862 6.704 -9.818 1.00 1.00 C ATOM 170 SG CYS A 11 -2.285 5.787 -8.317 1.00 1.00 S ATOM 0 H CYS A 11 -1.920 8.064 -11.887 1.00 1.00 H new ATOM 0 HA CYS A 11 -3.265 5.661 -11.079 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -0.989 6.258 -10.295 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -1.598 7.731 -9.567 1.00 1.00 H new ATOM 0 HG CYS A 11 -3.577 5.668 -8.231 1.00 1.00 H new ATOM 175 N ARG A 12 -4.432 8.577 -10.143 1.00 1.00 N ATOM 176 CA ARG A 12 -5.567 9.238 -9.511 1.00 1.00 C ATOM 177 C ARG A 12 -6.879 8.662 -10.032 1.00 1.00 C ATOM 178 O ARG A 12 -7.824 8.454 -9.270 1.00 1.00 O ATOM 179 CB ARG A 12 -5.518 10.741 -9.789 1.00 1.00 C ATOM 180 CG ARG A 12 -5.152 11.491 -8.505 1.00 1.00 C ATOM 181 CD ARG A 12 -6.298 11.377 -7.496 1.00 1.00 C ATOM 182 NE ARG A 12 -6.846 12.698 -7.207 1.00 1.00 N ATOM 183 CZ ARG A 12 -6.212 13.544 -6.401 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.080 13.196 -5.851 1.00 1.00 N ATOM 185 NH2 ARG A 12 -6.720 14.722 -6.159 1.00 1.00 N ATOM 0 H ARG A 12 -3.788 9.205 -10.623 1.00 1.00 H new ATOM 0 HA ARG A 12 -5.511 9.068 -8.436 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -4.785 10.953 -10.567 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -6.484 11.084 -10.159 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.237 11.078 -8.079 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -4.954 12.539 -8.729 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -7.080 10.730 -7.894 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -5.939 10.915 -6.577 1.00 1.00 H new ATOM 0 HE ARG A 12 -7.731 12.977 -7.631 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -4.683 12.276 -6.040 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -4.593 13.844 -5.232 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -7.604 14.994 -6.588 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -6.233 15.370 -5.540 1.00 1.00 H new ATOM 199 N LEU A 13 -6.932 8.405 -11.335 1.00 1.00 N ATOM 200 CA LEU A 13 -8.134 7.851 -11.947 1.00 1.00 C ATOM 201 C LEU A 13 -8.468 6.498 -11.328 1.00 1.00 C ATOM 202 O LEU A 13 -9.627 6.207 -11.036 1.00 1.00 O ATOM 203 CB LEU A 13 -7.922 7.683 -13.457 1.00 1.00 C ATOM 204 CG LEU A 13 -8.725 8.738 -14.228 1.00 1.00 C ATOM 205 CD1 LEU A 13 -10.224 8.493 -14.036 1.00 1.00 C ATOM 206 CD2 LEU A 13 -8.364 10.135 -13.715 1.00 1.00 C ATOM 0 H LEU A 13 -6.162 8.570 -11.984 1.00 1.00 H new ATOM 0 HA LEU A 13 -8.962 8.538 -11.770 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -6.862 7.777 -13.695 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -8.231 6.684 -13.766 1.00 1.00 H new ATOM 0 HG LEU A 13 -8.483 8.667 -15.288 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -10.789 9.246 -14.586 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -10.481 7.502 -14.409 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -10.470 8.557 -12.976 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -8.936 10.883 -14.264 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -8.600 10.205 -12.653 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -7.299 10.313 -13.862 1.00 1.00 H new ATOM 218 N ALA A 14 -7.443 5.677 -11.126 1.00 1.00 N ATOM 219 CA ALA A 14 -7.639 4.358 -10.537 1.00 1.00 C ATOM 220 C ALA A 14 -7.840 4.470 -9.030 1.00 1.00 C ATOM 221 O ALA A 14 -8.560 3.672 -8.429 1.00 1.00 O ATOM 222 CB ALA A 14 -6.426 3.472 -10.827 1.00 1.00 C ATOM 0 H ALA A 14 -6.475 5.899 -11.359 1.00 1.00 H new ATOM 0 HA ALA A 14 -8.530 3.911 -10.979 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -6.580 2.488 -10.384 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -6.300 3.369 -11.905 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.533 3.927 -10.399 1.00 1.00 H new ATOM 228 N GLN A 15 -7.201 5.467 -8.427 1.00 1.00 N ATOM 229 CA GLN A 15 -7.318 5.676 -6.988 1.00 1.00 C ATOM 230 C GLN A 15 -8.636 6.370 -6.653 1.00 1.00 C ATOM 231 O GLN A 15 -9.128 6.278 -5.528 1.00 1.00 O ATOM 232 CB GLN A 15 -6.149 6.528 -6.486 1.00 1.00 C ATOM 233 CG GLN A 15 -5.856 6.180 -5.026 1.00 1.00 C ATOM 234 CD GLN A 15 -4.848 7.166 -4.444 1.00 1.00 C ATOM 235 OE1 GLN A 15 -3.672 7.138 -4.807 1.00 1.00 O ATOM 236 NE2 GLN A 15 -5.239 8.040 -3.559 1.00 1.00 N ATOM 0 H GLN A 15 -6.601 6.138 -8.907 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.296 4.704 -6.496 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.265 6.349 -7.098 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.391 7.587 -6.577 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -6.778 6.206 -4.446 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -5.465 5.165 -4.957 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -6.214 8.062 -3.260 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -4.570 8.702 -3.166 1.00 1.00 H new ATOM 598 N ALA A 45 6.400 -9.839 -6.403 1.00 1.00 N ATOM 599 CA ALA A 45 7.524 -10.374 -5.640 1.00 1.00 C ATOM 600 C ALA A 45 8.273 -9.258 -4.913 1.00 1.00 C ATOM 601 O ALA A 45 9.040 -9.518 -3.985 1.00 1.00 O ATOM 602 CB ALA A 45 8.485 -11.109 -6.576 1.00 1.00 C ATOM 0 HA ALA A 45 7.131 -11.069 -4.898 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.321 -11.506 -6.000 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.960 -11.929 -7.066 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.859 -10.417 -7.330 1.00 1.00 H new ATOM 608 N ILE A 46 8.059 -8.019 -5.345 1.00 1.00 N ATOM 609 CA ILE A 46 8.734 -6.881 -4.730 1.00 1.00 C ATOM 610 C ILE A 46 8.026 -6.459 -3.443 1.00 1.00 C ATOM 611 O ILE A 46 8.616 -5.798 -2.588 1.00 1.00 O ATOM 612 CB ILE A 46 8.777 -5.702 -5.712 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.374 -5.106 -5.887 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.296 -6.186 -7.069 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.290 -3.775 -5.139 1.00 1.00 C ATOM 0 H ILE A 46 7.430 -7.778 -6.111 1.00 1.00 H new ATOM 0 HA ILE A 46 9.752 -7.181 -4.482 1.00 1.00 H new ATOM 0 HB ILE A 46 9.442 -4.935 -5.315 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.161 -4.955 -6.945 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.623 -5.798 -5.506 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.327 -5.349 -7.766 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.299 -6.596 -6.950 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.632 -6.958 -7.458 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.294 -3.350 -5.263 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.485 -3.940 -4.079 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.031 -3.084 -5.541 1.00 1.00 H new ATOM 627 N ALA A 47 6.761 -6.845 -3.315 1.00 1.00 N ATOM 628 CA ALA A 47 5.983 -6.502 -2.131 1.00 1.00 C ATOM 629 C ALA A 47 6.568 -7.176 -0.894 1.00 1.00 C ATOM 630 O ALA A 47 6.397 -6.697 0.226 1.00 1.00 O ATOM 631 CB ALA A 47 4.529 -6.942 -2.314 1.00 1.00 C ATOM 0 H ALA A 47 6.256 -7.392 -4.012 1.00 1.00 H new ATOM 0 HA ALA A 47 6.020 -5.421 -1.996 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.955 -6.682 -1.424 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.103 -6.438 -3.181 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.492 -8.021 -2.467 1.00 1.00 H new ATOM 637 N ASN A 48 7.259 -8.292 -1.106 1.00 1.00 N ATOM 638 CA ASN A 48 7.867 -9.023 -0.002 1.00 1.00 C ATOM 639 C ASN A 48 9.218 -8.414 0.357 1.00 1.00 C ATOM 640 O ASN A 48 9.725 -8.610 1.461 1.00 1.00 O ATOM 641 CB ASN A 48 8.053 -10.493 -0.388 1.00 1.00 C ATOM 642 CG ASN A 48 6.809 -11.291 -0.011 1.00 1.00 C ATOM 643 OD1 ASN A 48 6.835 -12.072 0.940 1.00 1.00 O ATOM 644 ND2 ASN A 48 5.714 -11.139 -0.705 1.00 1.00 N ATOM 0 H ASN A 48 7.411 -8.707 -2.025 1.00 1.00 H new ATOM 0 HA ASN A 48 7.207 -8.957 0.863 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.238 -10.576 -1.459 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.926 -10.903 0.119 1.00 1.00 H new ATOM 0 HD21 ASN A 48 4.877 -11.668 -0.460 1.00 1.00 H new ATOM 0 HD22 ASN A 48 5.695 -10.491 -1.493 1.00 1.00 H new ATOM 651 N PHE A 49 9.792 -7.675 -0.584 1.00 1.00 N ATOM 652 CA PHE A 49 11.085 -7.040 -0.361 1.00 1.00 C ATOM 653 C PHE A 49 10.936 -5.831 0.558 1.00 1.00 C ATOM 654 O PHE A 49 11.868 -5.044 0.724 1.00 1.00 O ATOM 655 CB PHE A 49 11.687 -6.607 -1.699 1.00 1.00 C ATOM 656 CG PHE A 49 12.894 -7.466 -2.000 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.745 -8.851 -2.132 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.157 -6.880 -2.140 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.861 -9.651 -2.405 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.273 -7.681 -2.413 1.00 1.00 C ATOM 661 CZ PHE A 49 15.124 -9.066 -2.545 1.00 1.00 C ATOM 0 H PHE A 49 9.386 -7.501 -1.503 1.00 1.00 H new ATOM 0 HA PHE A 49 11.750 -7.759 0.117 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.947 -6.706 -2.494 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.974 -5.556 -1.660 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.770 -9.302 -2.023 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.271 -5.811 -2.038 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.747 -10.720 -2.508 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.248 -7.230 -2.522 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.985 -9.684 -2.755 1.00 1.00 H new ATOM 671 N LEU A 50 9.758 -5.699 1.158 1.00 1.00 N ATOM 672 CA LEU A 50 9.483 -4.592 2.071 1.00 1.00 C ATOM 673 C LEU A 50 8.879 -5.129 3.371 1.00 1.00 C ATOM 674 O LEU A 50 7.719 -5.537 3.405 1.00 1.00 O ATOM 675 CB LEU A 50 8.507 -3.603 1.417 1.00 1.00 C ATOM 676 CG LEU A 50 9.248 -2.693 0.423 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.508 -2.691 -0.917 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.292 -1.263 0.969 1.00 1.00 C ATOM 0 H LEU A 50 8.978 -6.343 1.030 1.00 1.00 H new ATOM 0 HA LEU A 50 10.417 -4.077 2.295 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.718 -4.149 0.900 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.025 -2.997 2.184 1.00 1.00 H new ATOM 0 HG LEU A 50 10.263 -3.065 0.285 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.033 -2.046 -1.622 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.470 -3.706 -1.313 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.494 -2.320 -0.772 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.818 -0.620 0.263 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.275 -0.895 1.108 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.814 -1.255 1.926 1.00 1.00 H new ATOM 690 N GLU A 51 9.681 -5.133 4.435 1.00 1.00 N ATOM 691 CA GLU A 51 9.222 -5.630 5.732 1.00 1.00 C ATOM 692 C GLU A 51 7.838 -5.061 6.069 1.00 1.00 C ATOM 693 O GLU A 51 7.486 -3.976 5.610 1.00 1.00 O ATOM 694 CB GLU A 51 10.227 -5.236 6.819 1.00 1.00 C ATOM 695 CG GLU A 51 11.349 -6.275 6.880 1.00 1.00 C ATOM 696 CD GLU A 51 10.930 -7.447 7.760 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.940 -7.290 8.970 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.607 -8.488 7.211 1.00 1.00 O ATOM 0 H GLU A 51 10.645 -4.800 4.426 1.00 1.00 H new ATOM 0 HA GLU A 51 9.146 -6.716 5.684 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.641 -4.251 6.606 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.726 -5.169 7.785 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.582 -6.629 5.876 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.256 -5.819 7.276 1.00 1.00 H new ATOM 705 N PRO A 52 7.049 -5.770 6.851 1.00 1.00 N ATOM 706 CA PRO A 52 5.675 -5.315 7.237 1.00 1.00 C ATOM 707 C PRO A 52 5.676 -4.011 8.034 1.00 1.00 C ATOM 708 O PRO A 52 5.021 -3.042 7.649 1.00 1.00 O ATOM 709 CB PRO A 52 5.119 -6.466 8.084 1.00 1.00 C ATOM 710 CG PRO A 52 6.305 -7.256 8.527 1.00 1.00 C ATOM 711 CD PRO A 52 7.374 -7.074 7.453 1.00 1.00 C ATOM 0 HA PRO A 52 5.074 -5.097 6.354 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.560 -6.087 8.940 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.433 -7.083 7.503 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.664 -6.906 9.495 1.00 1.00 H new ATOM 0 HG3 PRO A 52 6.048 -8.309 8.644 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.376 -7.078 7.881 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.340 -7.875 6.715 1.00 1.00 H new ATOM 719 N GLN A 53 6.407 -3.990 9.145 1.00 1.00 N ATOM 720 CA GLN A 53 6.466 -2.791 9.976 1.00 1.00 C ATOM 721 C GLN A 53 7.038 -1.628 9.174 1.00 1.00 C ATOM 722 O GLN A 53 6.490 -0.526 9.175 1.00 1.00 O ATOM 723 CB GLN A 53 7.342 -3.047 11.206 1.00 1.00 C ATOM 724 CG GLN A 53 6.872 -2.162 12.360 1.00 1.00 C ATOM 725 CD GLN A 53 7.941 -2.107 13.445 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.857 -1.286 13.375 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.881 -2.936 14.450 1.00 1.00 N ATOM 0 H GLN A 53 6.959 -4.776 9.487 1.00 1.00 H new ATOM 0 HA GLN A 53 5.456 -2.540 10.301 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.286 -4.097 11.493 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.385 -2.835 10.973 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.661 -1.157 11.995 1.00 1.00 H new ATOM 0 HG3 GLN A 53 5.942 -2.553 12.774 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.122 -3.615 14.506 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.593 -2.905 15.180 1.00 1.00 H new ATOM 736 N ALA A 54 8.138 -1.893 8.484 1.00 1.00 N ATOM 737 CA ALA A 54 8.780 -0.872 7.669 1.00 1.00 C ATOM 738 C ALA A 54 7.818 -0.379 6.598 1.00 1.00 C ATOM 739 O ALA A 54 7.905 0.764 6.147 1.00 1.00 O ATOM 740 CB ALA A 54 10.032 -1.439 7.004 1.00 1.00 C ATOM 0 H ALA A 54 8.602 -2.801 8.472 1.00 1.00 H new ATOM 0 HA ALA A 54 9.062 -0.039 8.313 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.503 -0.666 6.397 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.731 -1.775 7.770 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.757 -2.281 6.369 1.00 1.00 H new ATOM 746 N LEU A 55 6.907 -1.253 6.187 1.00 1.00 N ATOM 747 CA LEU A 55 5.934 -0.896 5.159 1.00 1.00 C ATOM 748 C LEU A 55 5.101 0.301 5.608 1.00 1.00 C ATOM 749 O LEU A 55 4.831 1.209 4.823 1.00 1.00 O ATOM 750 CB LEU A 55 5.007 -2.077 4.865 1.00 1.00 C ATOM 751 CG LEU A 55 4.911 -2.287 3.353 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.969 -3.453 3.055 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.372 -1.014 2.695 1.00 1.00 C ATOM 0 H LEU A 55 6.821 -2.204 6.544 1.00 1.00 H new ATOM 0 HA LEU A 55 6.480 -0.635 4.252 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.387 -2.979 5.345 1.00 1.00 H new ATOM 0 HB3 LEU A 55 4.017 -1.888 5.280 1.00 1.00 H new ATOM 0 HG LEU A 55 5.901 -2.512 2.955 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.902 -3.601 1.977 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.353 -4.360 3.522 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.979 -3.231 3.453 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.303 -1.163 1.617 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.383 -0.789 3.094 1.00 1.00 H new ATOM 0 HD23 LEU A 55 5.046 -0.183 2.904 1.00 1.00 H new ATOM 765 N GLU A 56 4.704 0.295 6.874 1.00 1.00 N ATOM 766 CA GLU A 56 3.906 1.387 7.416 1.00 1.00 C ATOM 767 C GLU A 56 4.703 2.686 7.399 1.00 1.00 C ATOM 768 O GLU A 56 4.150 3.764 7.182 1.00 1.00 O ATOM 769 CB GLU A 56 3.481 1.060 8.851 1.00 1.00 C ATOM 770 CG GLU A 56 1.996 1.380 9.032 1.00 1.00 C ATOM 771 CD GLU A 56 1.743 2.858 8.746 1.00 1.00 C ATOM 772 OE1 GLU A 56 1.875 3.649 9.665 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.419 3.174 7.614 1.00 1.00 O ATOM 0 H GLU A 56 4.919 -0.447 7.540 1.00 1.00 H new ATOM 0 HA GLU A 56 3.018 1.511 6.796 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.665 0.007 9.065 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.077 1.638 9.558 1.00 1.00 H new ATOM 0 HG2 GLU A 56 1.398 0.763 8.361 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.685 1.139 10.048 1.00 1.00 H new ATOM 780 N ARG A 57 6.008 2.577 7.635 1.00 1.00 N ATOM 781 CA ARG A 57 6.872 3.746 7.649 1.00 1.00 C ATOM 782 C ARG A 57 6.820 4.479 6.313 1.00 1.00 C ATOM 783 O ARG A 57 6.521 5.672 6.265 1.00 1.00 O ATOM 784 CB ARG A 57 8.310 3.310 7.946 1.00 1.00 C ATOM 785 CG ARG A 57 8.814 4.013 9.207 1.00 1.00 C ATOM 786 CD ARG A 57 8.954 5.508 8.926 1.00 1.00 C ATOM 787 NE ARG A 57 10.358 5.885 8.951 1.00 1.00 N ATOM 788 CZ ARG A 57 10.955 6.257 10.079 1.00 1.00 C ATOM 789 NH1 ARG A 57 10.281 6.287 11.196 1.00 1.00 N ATOM 790 NH2 ARG A 57 12.216 6.592 10.069 1.00 1.00 N ATOM 0 H ARG A 57 6.485 1.694 7.818 1.00 1.00 H new ATOM 0 HA ARG A 57 6.524 4.428 8.425 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.352 2.229 8.080 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.955 3.552 7.101 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.120 3.849 10.031 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.774 3.596 9.511 1.00 1.00 H new ATOM 0 HD2 ARG A 57 8.521 5.747 7.954 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.401 6.081 9.671 1.00 1.00 H new ATOM 0 HE ARG A 57 10.896 5.864 8.085 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.295 6.025 11.204 1.00 1.00 H new ATOM 0 HH12 ARG A 57 10.740 6.573 12.061 1.00 1.00 H new ATOM 0 HH21 ARG A 57 12.743 6.568 9.196 1.00 1.00 H new ATOM 0 HH22 ARG A 57 12.675 6.878 10.934 1.00 1.00 H new ATOM 804 N LEU A 58 7.109 3.765 5.228 1.00 1.00 N ATOM 805 CA LEU A 58 7.087 4.375 3.902 1.00 1.00 C ATOM 806 C LEU A 58 5.701 4.959 3.619 1.00 1.00 C ATOM 807 O LEU A 58 5.568 5.984 2.952 1.00 1.00 O ATOM 808 CB LEU A 58 7.440 3.330 2.834 1.00 1.00 C ATOM 809 CG LEU A 58 7.460 3.976 1.440 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.507 5.093 1.393 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.817 2.914 0.397 1.00 1.00 C ATOM 0 H LEU A 58 7.358 2.776 5.239 1.00 1.00 H new ATOM 0 HA LEU A 58 7.825 5.176 3.871 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.414 2.891 3.053 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.713 2.518 2.856 1.00 1.00 H new ATOM 0 HG LEU A 58 6.476 4.395 1.228 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.513 5.544 0.401 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.262 5.852 2.136 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.492 4.678 1.609 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.832 3.368 -0.594 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.800 2.499 0.622 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.073 2.117 0.420 1.00 1.00 H new ATOM 823 N SER A 59 4.673 4.291 4.126 1.00 1.00 N ATOM 824 CA SER A 59 3.301 4.749 3.931 1.00 1.00 C ATOM 825 C SER A 59 3.054 6.071 4.658 1.00 1.00 C ATOM 826 O SER A 59 2.416 6.976 4.121 1.00 1.00 O ATOM 827 CB SER A 59 2.323 3.692 4.446 1.00 1.00 C ATOM 828 OG SER A 59 2.433 2.522 3.647 1.00 1.00 O ATOM 0 H SER A 59 4.761 3.434 4.673 1.00 1.00 H new ATOM 0 HA SER A 59 3.144 4.907 2.864 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.540 3.456 5.488 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.303 4.076 4.411 1.00 1.00 H new ATOM 0 HG SER A 59 3.205 1.995 3.943 1.00 1.00 H new ATOM 834 N ARG A 60 3.544 6.162 5.892 1.00 1.00 N ATOM 835 CA ARG A 60 3.355 7.361 6.710 1.00 1.00 C ATOM 836 C ARG A 60 3.990 8.596 6.072 1.00 1.00 C ATOM 837 O ARG A 60 3.380 9.664 6.036 1.00 1.00 O ATOM 838 CB ARG A 60 3.966 7.139 8.096 1.00 1.00 C ATOM 839 CG ARG A 60 3.412 8.178 9.073 1.00 1.00 C ATOM 840 CD ARG A 60 2.335 7.535 9.945 1.00 1.00 C ATOM 841 NE ARG A 60 1.676 8.545 10.767 1.00 1.00 N ATOM 842 CZ ARG A 60 0.465 8.335 11.272 1.00 1.00 C ATOM 843 NH1 ARG A 60 -0.155 7.212 11.037 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.103 9.253 12.004 1.00 1.00 N ATOM 0 H ARG A 60 4.075 5.421 6.349 1.00 1.00 H new ATOM 0 HA ARG A 60 2.283 7.538 6.791 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.736 6.134 8.449 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.052 7.218 8.043 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.215 8.569 9.698 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.994 9.022 8.524 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.600 7.033 9.316 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.782 6.773 10.583 1.00 1.00 H new ATOM 0 HE ARG A 60 2.153 9.426 10.957 1.00 1.00 H new ATOM 0 HH11 ARG A 60 0.290 6.494 10.465 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -1.085 7.052 11.425 1.00 1.00 H new ATOM 0 HH21 ARG A 60 0.382 10.131 12.188 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -1.033 9.093 12.392 1.00 1.00 H new ATOM 858 N VAL A 61 5.212 8.451 5.576 1.00 1.00 N ATOM 859 CA VAL A 61 5.910 9.573 4.950 1.00 1.00 C ATOM 860 C VAL A 61 5.179 10.030 3.686 1.00 1.00 C ATOM 861 O VAL A 61 5.073 11.226 3.417 1.00 1.00 O ATOM 862 CB VAL A 61 7.353 9.180 4.608 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.359 7.865 3.846 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.995 10.273 3.751 1.00 1.00 C ATOM 0 H VAL A 61 5.739 7.578 5.593 1.00 1.00 H new ATOM 0 HA VAL A 61 5.927 10.401 5.659 1.00 1.00 H new ATOM 0 HB VAL A 61 7.922 9.064 5.531 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.385 7.589 3.605 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.909 7.086 4.461 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.787 7.976 2.925 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.020 9.991 3.510 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.425 10.394 2.830 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.998 11.213 4.302 1.00 1.00 H new ATOM 874 N ALA A 62 4.690 9.070 2.909 1.00 1.00 N ATOM 875 CA ALA A 62 3.982 9.383 1.670 1.00 1.00 C ATOM 876 C ALA A 62 2.877 10.413 1.905 1.00 1.00 C ATOM 877 O ALA A 62 2.625 11.266 1.055 1.00 1.00 O ATOM 878 CB ALA A 62 3.374 8.107 1.084 1.00 1.00 C ATOM 0 H ALA A 62 4.769 8.074 3.112 1.00 1.00 H new ATOM 0 HA ALA A 62 4.701 9.807 0.969 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.847 8.346 0.160 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.167 7.389 0.874 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.674 7.676 1.800 1.00 1.00 H new ATOM 884 N LEU A 63 2.217 10.326 3.056 1.00 1.00 N ATOM 885 CA LEU A 63 1.138 11.258 3.377 1.00 1.00 C ATOM 886 C LEU A 63 1.657 12.687 3.431 1.00 1.00 C ATOM 887 O LEU A 63 0.887 13.640 3.305 1.00 1.00 O ATOM 888 CB LEU A 63 0.520 10.905 4.730 1.00 1.00 C ATOM 889 CG LEU A 63 -0.699 10.001 4.525 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.315 8.798 3.663 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.201 9.511 5.884 1.00 1.00 C ATOM 0 H LEU A 63 2.406 9.628 3.776 1.00 1.00 H new ATOM 0 HA LEU A 63 0.384 11.179 2.594 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.256 10.401 5.356 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.226 11.814 5.254 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.485 10.566 4.024 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.187 8.159 3.521 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.043 9.144 2.693 1.00 1.00 H new ATOM 0 HD13 LEU A 63 0.473 8.232 4.159 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.069 8.867 5.741 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -0.411 8.950 6.383 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.481 10.367 6.498 1.00 1.00 H new ATOM 903 N VAL A 64 2.963 12.828 3.630 1.00 1.00 N ATOM 904 CA VAL A 64 3.573 14.147 3.718 1.00 1.00 C ATOM 905 C VAL A 64 4.387 14.466 2.465 1.00 1.00 C ATOM 906 O VAL A 64 4.271 15.559 1.911 1.00 1.00 O ATOM 907 CB VAL A 64 4.468 14.213 4.955 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.240 15.545 5.669 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.108 13.071 5.907 1.00 1.00 C ATOM 0 H VAL A 64 3.615 12.050 3.733 1.00 1.00 H new ATOM 0 HA VAL A 64 2.779 14.889 3.799 1.00 1.00 H new ATOM 0 HB VAL A 64 5.512 14.125 4.654 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.876 15.598 6.553 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.486 16.366 4.995 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.195 15.623 5.969 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.746 13.118 6.789 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.065 13.164 6.209 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.256 12.116 5.402 1.00 1.00 H new ATOM 919 N ARG A 65 5.205 13.513 2.019 1.00 1.00 N ATOM 920 CA ARG A 65 6.022 13.724 0.824 1.00 1.00 C ATOM 921 C ARG A 65 5.969 12.511 -0.100 1.00 1.00 C ATOM 922 O ARG A 65 6.880 11.685 -0.109 1.00 1.00 O ATOM 923 CB ARG A 65 7.478 13.986 1.208 1.00 1.00 C ATOM 924 CG ARG A 65 7.598 15.345 1.904 1.00 1.00 C ATOM 925 CD ARG A 65 8.307 15.168 3.248 1.00 1.00 C ATOM 926 NE ARG A 65 8.598 16.470 3.842 1.00 1.00 N ATOM 927 CZ ARG A 65 9.147 16.565 5.049 1.00 1.00 C ATOM 928 NH1 ARG A 65 9.422 15.485 5.728 1.00 1.00 N ATOM 929 NH2 ARG A 65 9.412 17.739 5.553 1.00 1.00 N ATOM 0 H ARG A 65 5.319 12.600 2.459 1.00 1.00 H new ATOM 0 HA ARG A 65 5.616 14.591 0.302 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.836 13.197 1.869 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.107 13.967 0.318 1.00 1.00 H new ATOM 0 HG2 ARG A 65 8.155 16.040 1.275 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.609 15.776 2.056 1.00 1.00 H new ATOM 0 HD2 ARG A 65 7.681 14.584 3.923 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.232 14.609 3.108 1.00 1.00 H new ATOM 0 HE ARG A 65 8.377 17.320 3.323 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.216 14.568 5.333 1.00 1.00 H new ATOM 0 HH12 ARG A 65 9.843 15.558 6.654 1.00 1.00 H new ATOM 0 HH21 ARG A 65 9.198 18.583 5.021 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.833 17.813 6.479 1.00 1.00 H new ATOM 943 N ARG A 66 4.904 12.423 -0.884 1.00 1.00 N ATOM 944 CA ARG A 66 4.748 11.320 -1.822 1.00 1.00 C ATOM 945 C ARG A 66 5.894 11.303 -2.829 1.00 1.00 C ATOM 946 O ARG A 66 6.293 10.244 -3.313 1.00 1.00 O ATOM 947 CB ARG A 66 3.415 11.447 -2.560 1.00 1.00 C ATOM 948 CG ARG A 66 3.078 10.118 -3.239 1.00 1.00 C ATOM 949 CD ARG A 66 1.737 10.237 -3.964 1.00 1.00 C ATOM 950 NE ARG A 66 0.906 9.072 -3.682 1.00 1.00 N ATOM 951 CZ ARG A 66 1.255 7.861 -4.105 1.00 1.00 C ATOM 952 NH1 ARG A 66 2.355 7.700 -4.790 1.00 1.00 N ATOM 953 NH2 ARG A 66 0.498 6.833 -3.837 1.00 1.00 N ATOM 0 H ARG A 66 4.139 13.098 -0.890 1.00 1.00 H new ATOM 0 HA ARG A 66 4.763 10.386 -1.260 1.00 1.00 H new ATOM 0 HB2 ARG A 66 2.625 11.721 -1.861 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.473 12.243 -3.303 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.863 9.850 -3.947 1.00 1.00 H new ATOM 0 HG3 ARG A 66 3.032 9.321 -2.497 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.223 11.144 -3.647 1.00 1.00 H new ATOM 0 HD3 ARG A 66 1.902 10.323 -5.038 1.00 1.00 H new ATOM 0 HE ARG A 66 0.043 9.188 -3.151 1.00 1.00 H new ATOM 0 HH11 ARG A 66 2.947 8.504 -5.001 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.622 6.771 -5.114 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.362 6.958 -3.303 1.00 1.00 H new ATOM 0 HH22 ARG A 66 0.766 5.904 -4.162 1.00 1.00 H new ATOM 967 N ASP A 67 6.414 12.487 -3.148 1.00 1.00 N ATOM 968 CA ASP A 67 7.506 12.596 -4.111 1.00 1.00 C ATOM 969 C ASP A 67 8.759 11.891 -3.599 1.00 1.00 C ATOM 970 O ASP A 67 9.404 11.140 -4.333 1.00 1.00 O ATOM 971 CB ASP A 67 7.820 14.070 -4.373 1.00 1.00 C ATOM 972 CG ASP A 67 8.987 14.192 -5.347 1.00 1.00 C ATOM 973 OD1 ASP A 67 10.066 13.733 -5.009 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.786 14.747 -6.415 1.00 1.00 O ATOM 0 H ASP A 67 6.100 13.376 -2.758 1.00 1.00 H new ATOM 0 HA ASP A 67 7.193 12.116 -5.038 1.00 1.00 H new ATOM 0 HB2 ASP A 67 6.942 14.570 -4.781 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.065 14.570 -3.436 1.00 1.00 H new ATOM 979 N ARG A 68 9.101 12.138 -2.341 1.00 1.00 N ATOM 980 CA ARG A 68 10.277 11.522 -1.749 1.00 1.00 C ATOM 981 C ARG A 68 10.092 10.011 -1.645 1.00 1.00 C ATOM 982 O ARG A 68 11.006 9.239 -1.937 1.00 1.00 O ATOM 983 CB ARG A 68 10.522 12.108 -0.361 1.00 1.00 C ATOM 984 CG ARG A 68 10.943 13.574 -0.491 1.00 1.00 C ATOM 985 CD ARG A 68 11.150 14.175 0.901 1.00 1.00 C ATOM 986 NE ARG A 68 11.048 13.138 1.923 1.00 1.00 N ATOM 987 CZ ARG A 68 11.502 13.339 3.155 1.00 1.00 C ATOM 988 NH1 ARG A 68 12.048 14.482 3.472 1.00 1.00 N ATOM 989 NH2 ARG A 68 11.404 12.392 4.049 1.00 1.00 N ATOM 0 H ARG A 68 8.584 12.756 -1.716 1.00 1.00 H new ATOM 0 HA ARG A 68 11.137 11.726 -2.386 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.618 12.031 0.242 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.298 11.540 0.153 1.00 1.00 H new ATOM 0 HG2 ARG A 68 11.863 13.648 -1.071 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.180 14.135 -1.031 1.00 1.00 H new ATOM 0 HD2 ARG A 68 12.128 14.654 0.956 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.405 14.950 1.084 1.00 1.00 H new ATOM 0 HE ARG A 68 10.620 12.243 1.687 1.00 1.00 H new ATOM 0 HH11 ARG A 68 12.126 15.221 2.773 1.00 1.00 H new ATOM 0 HH12 ARG A 68 12.396 14.636 4.418 1.00 1.00 H new ATOM 0 HH21 ARG A 68 10.979 11.499 3.801 1.00 1.00 H new ATOM 0 HH22 ARG A 68 11.752 12.546 4.995 1.00 1.00 H new ATOM 1003 N ALA A 69 8.896 9.598 -1.241 1.00 1.00 N ATOM 1004 CA ALA A 69 8.591 8.178 -1.112 1.00 1.00 C ATOM 1005 C ALA A 69 8.752 7.485 -2.457 1.00 1.00 C ATOM 1006 O ALA A 69 9.040 6.291 -2.527 1.00 1.00 O ATOM 1007 CB ALA A 69 7.151 7.996 -0.635 1.00 1.00 C ATOM 0 H ALA A 69 8.126 10.222 -0.999 1.00 1.00 H new ATOM 0 HA ALA A 69 9.279 7.740 -0.388 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.930 6.933 -0.541 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.025 8.480 0.334 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.469 8.446 -1.357 1.00 1.00 H new ATOM 1013 N GLN A 70 8.546 8.250 -3.519 1.00 1.00 N ATOM 1014 CA GLN A 70 8.652 7.717 -4.866 1.00 1.00 C ATOM 1015 C GLN A 70 10.092 7.327 -5.181 1.00 1.00 C ATOM 1016 O GLN A 70 10.340 6.330 -5.858 1.00 1.00 O ATOM 1017 CB GLN A 70 8.180 8.769 -5.870 1.00 1.00 C ATOM 1018 CG GLN A 70 7.906 8.111 -7.225 1.00 1.00 C ATOM 1019 CD GLN A 70 8.587 8.896 -8.345 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.011 8.308 -9.342 1.00 1.00 O ATOM 1021 NE2 GLN A 70 8.718 10.189 -8.244 1.00 1.00 N ATOM 0 H GLN A 70 8.305 9.240 -3.473 1.00 1.00 H new ATOM 0 HA GLN A 70 8.026 6.828 -4.937 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.276 9.255 -5.503 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.937 9.545 -5.979 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.271 7.084 -7.218 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.832 8.067 -7.404 1.00 1.00 H new ATOM 0 HE21 GLN A 70 8.367 10.674 -7.418 1.00 1.00 H new ATOM 0 HE22 GLN A 70 9.172 10.715 -8.991 1.00 1.00 H new ATOM 1030 N ALA A 71 11.034 8.124 -4.692 1.00 1.00 N ATOM 1031 CA ALA A 71 12.447 7.856 -4.932 1.00 1.00 C ATOM 1032 C ALA A 71 12.895 6.589 -4.207 1.00 1.00 C ATOM 1033 O ALA A 71 13.687 5.810 -4.737 1.00 1.00 O ATOM 1034 CB ALA A 71 13.290 9.042 -4.468 1.00 1.00 C ATOM 0 H ALA A 71 10.848 8.955 -4.131 1.00 1.00 H new ATOM 0 HA ALA A 71 12.587 7.708 -6.003 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.344 8.833 -4.651 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.996 9.935 -5.019 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.132 9.205 -3.402 1.00 1.00 H new ATOM 1040 N VAL A 72 12.385 6.386 -2.994 1.00 1.00 N ATOM 1041 CA VAL A 72 12.748 5.201 -2.220 1.00 1.00 C ATOM 1042 C VAL A 72 12.334 3.941 -2.969 1.00 1.00 C ATOM 1043 O VAL A 72 13.050 2.941 -2.977 1.00 1.00 O ATOM 1044 CB VAL A 72 12.064 5.224 -0.851 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.684 4.151 0.045 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.257 6.593 -0.194 1.00 1.00 C ATOM 0 H VAL A 72 11.729 7.016 -2.531 1.00 1.00 H new ATOM 0 HA VAL A 72 13.829 5.202 -2.078 1.00 1.00 H new ATOM 0 HB VAL A 72 10.999 5.031 -0.982 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.198 4.166 1.020 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.548 3.171 -0.413 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.749 4.350 0.167 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.767 6.601 0.780 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.322 6.789 -0.067 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.819 7.365 -0.827 1.00 1.00 H new ATOM 1056 N GLU A 73 11.170 4.006 -3.596 1.00 1.00 N ATOM 1057 CA GLU A 73 10.650 2.875 -4.357 1.00 1.00 C ATOM 1058 C GLU A 73 11.494 2.638 -5.606 1.00 1.00 C ATOM 1059 O GLU A 73 11.784 1.497 -5.965 1.00 1.00 O ATOM 1060 CB GLU A 73 9.199 3.144 -4.763 1.00 1.00 C ATOM 1061 CG GLU A 73 8.256 2.434 -3.790 1.00 1.00 C ATOM 1062 CD GLU A 73 8.192 0.948 -4.118 1.00 1.00 C ATOM 1063 OE1 GLU A 73 7.899 0.624 -5.257 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.436 0.152 -3.226 1.00 1.00 O ATOM 0 H GLU A 73 10.566 4.828 -3.595 1.00 1.00 H new ATOM 0 HA GLU A 73 10.693 1.985 -3.728 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.002 4.216 -4.760 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.023 2.791 -5.779 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.603 2.574 -2.766 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.260 2.872 -3.851 1.00 1.00 H new ATOM 1071 N THR A 74 11.894 3.726 -6.261 1.00 1.00 N ATOM 1072 CA THR A 74 12.712 3.622 -7.466 1.00 1.00 C ATOM 1073 C THR A 74 14.083 3.062 -7.114 1.00 1.00 C ATOM 1074 O THR A 74 14.708 2.362 -7.912 1.00 1.00 O ATOM 1075 CB THR A 74 12.876 5.001 -8.111 1.00 1.00 C ATOM 1076 OG1 THR A 74 12.030 5.934 -7.454 1.00 1.00 O ATOM 1077 CG2 THR A 74 12.504 4.930 -9.594 1.00 1.00 C ATOM 0 H THR A 74 11.668 4.680 -5.981 1.00 1.00 H new ATOM 0 HA THR A 74 12.216 2.953 -8.170 1.00 1.00 H new ATOM 0 HB THR A 74 13.914 5.320 -8.018 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.143 5.538 -7.326 1.00 1.00 H new ATOM 0 HG21 THR A 74 12.623 5.914 -10.046 1.00 1.00 H new ATOM 0 HG22 THR A 74 13.156 4.217 -10.099 1.00 1.00 H new ATOM 0 HG23 THR A 74 11.468 4.608 -9.694 1.00 1.00 H new ATOM 1085 N TYR A 75 14.539 3.375 -5.908 1.00 1.00 N ATOM 1086 CA TYR A 75 15.835 2.903 -5.440 1.00 1.00 C ATOM 1087 C TYR A 75 15.843 1.381 -5.349 1.00 1.00 C ATOM 1088 O TYR A 75 16.763 0.722 -5.834 1.00 1.00 O ATOM 1089 CB TYR A 75 16.129 3.506 -4.066 1.00 1.00 C ATOM 1090 CG TYR A 75 17.445 2.979 -3.555 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.503 1.730 -2.926 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.610 3.739 -3.711 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.726 1.240 -2.454 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.834 3.250 -3.238 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.892 2.000 -2.609 1.00 1.00 C ATOM 1096 OH TYR A 75 21.097 1.517 -2.144 1.00 1.00 O ATOM 0 H TYR A 75 14.032 3.953 -5.238 1.00 1.00 H new ATOM 0 HA TYR A 75 16.604 3.214 -6.147 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.163 4.593 -4.134 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.330 3.255 -3.369 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.604 1.144 -2.805 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.565 4.703 -4.196 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.771 0.276 -1.970 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.733 3.837 -3.358 1.00 1.00 H new ATOM 0 HH TYR A 75 21.805 2.168 -2.333 1.00 1.00 H new ATOM 1106 N LEU A 76 14.809 0.829 -4.722 1.00 1.00 N ATOM 1107 CA LEU A 76 14.696 -0.617 -4.568 1.00 1.00 C ATOM 1108 C LEU A 76 14.432 -1.289 -5.911 1.00 1.00 C ATOM 1109 O LEU A 76 15.030 -2.317 -6.231 1.00 1.00 O ATOM 1110 CB LEU A 76 13.549 -0.947 -3.611 1.00 1.00 C ATOM 1111 CG LEU A 76 13.626 -2.423 -3.193 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.872 -2.671 -2.334 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.378 -2.793 -2.387 1.00 1.00 C ATOM 0 H LEU A 76 14.039 1.359 -4.313 1.00 1.00 H new ATOM 0 HA LEU A 76 15.638 -0.990 -4.166 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.603 -0.307 -2.730 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.592 -0.746 -4.093 1.00 1.00 H new ATOM 0 HG LEU A 76 13.684 -3.038 -4.091 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.912 -3.721 -2.046 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.765 -2.417 -2.906 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.826 -2.051 -1.439 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.433 -3.841 -2.091 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.321 -2.167 -1.497 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.490 -2.636 -2.999 1.00 1.00 H new ATOM 1125 N LYS A 77 13.529 -0.707 -6.693 1.00 1.00 N ATOM 1126 CA LYS A 77 13.186 -1.260 -7.992 1.00 1.00 C ATOM 1127 C LYS A 77 14.432 -1.354 -8.867 1.00 1.00 C ATOM 1128 O LYS A 77 14.619 -2.330 -9.592 1.00 1.00 O ATOM 1129 CB LYS A 77 12.114 -0.374 -8.645 1.00 1.00 C ATOM 1130 CG LYS A 77 12.351 -0.257 -10.152 1.00 1.00 C ATOM 1131 CD LYS A 77 11.117 0.362 -10.820 1.00 1.00 C ATOM 1132 CE LYS A 77 10.959 1.819 -10.379 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.029 2.519 -11.309 1.00 1.00 N ATOM 0 H LYS A 77 13.024 0.145 -6.448 1.00 1.00 H new ATOM 0 HA LYS A 77 12.787 -2.267 -7.874 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.126 -0.794 -8.459 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.129 0.617 -8.192 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.229 0.359 -10.346 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.552 -1.241 -10.576 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.216 0.310 -11.904 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.226 -0.206 -10.554 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.573 1.862 -9.360 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.929 2.316 -10.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 9.920 3.509 -11.011 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.415 2.488 -12.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.102 2.049 -11.292 1.00 1.00 H new ATOM 1147 N LYS A 78 15.282 -0.337 -8.790 1.00 1.00 N ATOM 1148 CA LYS A 78 16.509 -0.324 -9.578 1.00 1.00 C ATOM 1149 C LYS A 78 17.449 -1.427 -9.105 1.00 1.00 C ATOM 1150 O LYS A 78 18.084 -2.105 -9.912 1.00 1.00 O ATOM 1151 CB LYS A 78 17.200 1.033 -9.446 1.00 1.00 C ATOM 1152 CG LYS A 78 18.354 1.119 -10.448 1.00 1.00 C ATOM 1153 CD LYS A 78 19.071 2.460 -10.286 1.00 1.00 C ATOM 1154 CE LYS A 78 20.261 2.291 -9.340 1.00 1.00 C ATOM 1155 NZ LYS A 78 20.737 3.633 -8.898 1.00 1.00 N ATOM 0 H LYS A 78 15.147 0.482 -8.197 1.00 1.00 H new ATOM 0 HA LYS A 78 16.255 -0.497 -10.624 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.486 1.836 -9.628 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.575 1.165 -8.431 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.053 0.299 -10.285 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.975 1.018 -11.465 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.412 2.821 -11.256 1.00 1.00 H new ATOM 0 HD3 LYS A 78 18.382 3.207 -9.892 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.971 1.693 -8.476 1.00 1.00 H new ATOM 0 HE3 LYS A 78 21.066 1.755 -9.843 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 21.546 3.520 -8.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 21.029 4.188 -9.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.968 4.128 -8.403 1.00 1.00 H new ATOM 1169 N LEU A 79 17.526 -1.603 -7.789 1.00 1.00 N ATOM 1170 CA LEU A 79 18.388 -2.628 -7.211 1.00 1.00 C ATOM 1171 C LEU A 79 17.858 -4.022 -7.538 1.00 1.00 C ATOM 1172 O LEU A 79 18.618 -4.909 -7.924 1.00 1.00 O ATOM 1173 CB LEU A 79 18.466 -2.449 -5.694 1.00 1.00 C ATOM 1174 CG LEU A 79 19.840 -1.892 -5.316 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.065 -0.560 -6.035 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.901 -1.672 -3.804 1.00 1.00 C ATOM 0 H LEU A 79 17.005 -1.052 -7.106 1.00 1.00 H new ATOM 0 HA LEU A 79 19.385 -2.523 -7.640 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.682 -1.772 -5.356 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.299 -3.404 -5.195 1.00 1.00 H new ATOM 0 HG LEU A 79 20.614 -2.600 -5.612 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.044 -0.162 -5.766 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.020 -0.716 -7.113 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.292 0.149 -5.739 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.879 -1.275 -3.533 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.127 -0.963 -3.508 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.740 -2.620 -3.292 1.00 1.00 H new ATOM 1188 N ILE A 80 16.550 -4.207 -7.378 1.00 1.00 N ATOM 1189 CA ILE A 80 15.934 -5.499 -7.659 1.00 1.00 C ATOM 1190 C ILE A 80 16.160 -5.897 -9.116 1.00 1.00 C ATOM 1191 O ILE A 80 16.407 -7.064 -9.420 1.00 1.00 O ATOM 1192 CB ILE A 80 14.432 -5.441 -7.370 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.209 -5.328 -5.857 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.763 -6.716 -7.894 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.737 -5.015 -5.571 1.00 1.00 C ATOM 0 H ILE A 80 15.903 -3.486 -7.059 1.00 1.00 H new ATOM 0 HA ILE A 80 16.397 -6.246 -7.014 1.00 1.00 H new ATOM 0 HB ILE A 80 13.997 -4.574 -7.867 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.494 -6.259 -5.368 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.844 -4.544 -5.444 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.693 -6.676 -7.689 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.924 -6.796 -8.969 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.196 -7.584 -7.397 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.584 -4.936 -4.495 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.467 -4.072 -6.046 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.111 -5.814 -5.968 1.00 1.00 H new ATOM 1207 N ALA A 81 16.072 -4.919 -10.012 1.00 1.00 N ATOM 1208 CA ALA A 81 16.266 -5.178 -11.436 1.00 1.00 C ATOM 1209 C ALA A 81 17.740 -5.413 -11.751 1.00 1.00 C ATOM 1210 O ALA A 81 18.078 -6.009 -12.775 1.00 1.00 O ATOM 1211 CB ALA A 81 15.752 -3.994 -12.256 1.00 1.00 C ATOM 0 H ALA A 81 15.869 -3.946 -9.781 1.00 1.00 H new ATOM 0 HA ALA A 81 15.706 -6.076 -11.698 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.900 -4.195 -13.317 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.690 -3.849 -12.059 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.299 -3.093 -11.977 1.00 1.00 H new ATOM 1306 N LYS A 88 15.680 -7.629 2.015 1.00 1.00 N ATOM 1307 CA LYS A 88 14.353 -7.023 2.062 1.00 1.00 C ATOM 1308 C LYS A 88 14.410 -5.670 2.765 1.00 1.00 C ATOM 1309 O LYS A 88 14.764 -5.588 3.940 1.00 1.00 O ATOM 1310 CB LYS A 88 13.382 -7.945 2.805 1.00 1.00 C ATOM 1311 CG LYS A 88 13.497 -9.366 2.248 1.00 1.00 C ATOM 1312 CD LYS A 88 12.392 -10.239 2.845 1.00 1.00 C ATOM 1313 CE LYS A 88 12.528 -10.268 4.368 1.00 1.00 C ATOM 1314 NZ LYS A 88 11.909 -11.515 4.898 1.00 1.00 N ATOM 0 HA LYS A 88 14.004 -6.877 1.040 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.606 -7.942 3.872 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.361 -7.581 2.693 1.00 1.00 H new ATOM 0 HG2 LYS A 88 13.415 -9.350 1.161 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.475 -9.784 2.488 1.00 1.00 H new ATOM 0 HD2 LYS A 88 11.414 -9.848 2.564 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.458 -11.251 2.445 1.00 1.00 H new ATOM 0 HE2 LYS A 88 13.580 -10.223 4.651 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.043 -9.395 4.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 12.001 -11.535 5.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 10.902 -11.540 4.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.391 -12.342 4.491 1.00 1.00 H new ATOM 1328 N ILE A 89 14.063 -4.611 2.040 1.00 1.00 N ATOM 1329 CA ILE A 89 14.085 -3.270 2.613 1.00 1.00 C ATOM 1330 C ILE A 89 13.485 -3.286 4.016 1.00 1.00 C ATOM 1331 O ILE A 89 12.605 -4.092 4.319 1.00 1.00 O ATOM 1332 CB ILE A 89 13.318 -2.289 1.696 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.337 -1.391 0.968 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.345 -1.415 2.514 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.620 -0.402 0.044 1.00 1.00 C ATOM 0 H ILE A 89 13.766 -4.654 1.065 1.00 1.00 H new ATOM 0 HA ILE A 89 15.119 -2.932 2.689 1.00 1.00 H new ATOM 0 HB ILE A 89 12.734 -2.860 0.974 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.936 -0.846 1.698 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.024 -2.007 0.388 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.818 -0.734 1.846 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.624 -2.053 3.024 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.905 -0.839 3.251 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.356 0.223 -0.461 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.041 -0.952 -0.698 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.952 0.227 0.632 1.00 1.00 H new ATOM 1347 N THR A 90 13.960 -2.379 4.862 1.00 1.00 N ATOM 1348 CA THR A 90 13.462 -2.277 6.229 1.00 1.00 C ATOM 1349 C THR A 90 13.185 -0.817 6.578 1.00 1.00 C ATOM 1350 O THR A 90 13.438 0.080 5.774 1.00 1.00 O ATOM 1351 CB THR A 90 14.488 -2.855 7.208 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.479 -1.876 7.485 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.146 -4.088 6.590 1.00 1.00 C ATOM 0 H THR A 90 14.688 -1.705 4.626 1.00 1.00 H new ATOM 0 HA THR A 90 12.535 -2.845 6.306 1.00 1.00 H new ATOM 0 HB THR A 90 13.988 -3.139 8.134 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.136 -2.244 8.113 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.876 -4.499 7.287 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.385 -4.839 6.378 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.647 -3.807 5.664 1.00 1.00 H new ATOM 1361 N GLU A 91 12.670 -0.584 7.781 1.00 1.00 N ATOM 1362 CA GLU A 91 12.370 0.774 8.222 1.00 1.00 C ATOM 1363 C GLU A 91 13.632 1.624 8.201 1.00 1.00 C ATOM 1364 O GLU A 91 13.578 2.839 7.999 1.00 1.00 O ATOM 1365 CB GLU A 91 11.792 0.750 9.639 1.00 1.00 C ATOM 1366 CG GLU A 91 12.856 0.262 10.624 1.00 1.00 C ATOM 1367 CD GLU A 91 12.202 -0.106 11.950 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.739 0.797 12.630 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.156 -1.285 12.260 1.00 1.00 O ATOM 0 H GLU A 91 12.453 -1.311 8.463 1.00 1.00 H new ATOM 0 HA GLU A 91 11.637 1.207 7.542 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.453 1.747 9.920 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.922 0.095 9.676 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.376 -0.603 10.212 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.604 1.039 10.780 1.00 1.00 H new ATOM 1376 N ALA A 92 14.765 0.973 8.417 1.00 1.00 N ATOM 1377 CA ALA A 92 16.051 1.659 8.430 1.00 1.00 C ATOM 1378 C ALA A 92 16.502 1.977 7.010 1.00 1.00 C ATOM 1379 O ALA A 92 17.174 2.978 6.767 1.00 1.00 O ATOM 1380 CB ALA A 92 17.102 0.787 9.120 1.00 1.00 C ATOM 0 H ALA A 92 14.821 -0.031 8.586 1.00 1.00 H new ATOM 0 HA ALA A 92 15.938 2.593 8.980 1.00 1.00 H new ATOM 0 HB1 ALA A 92 18.060 1.307 9.125 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.792 0.587 10.146 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.204 -0.155 8.581 1.00 1.00 H new ATOM 1386 N GLU A 93 16.136 1.111 6.078 1.00 1.00 N ATOM 1387 CA GLU A 93 16.509 1.305 4.685 1.00 1.00 C ATOM 1388 C GLU A 93 15.665 2.405 4.044 1.00 1.00 C ATOM 1389 O GLU A 93 16.180 3.236 3.299 1.00 1.00 O ATOM 1390 CB GLU A 93 16.319 0.003 3.912 1.00 1.00 C ATOM 1391 CG GLU A 93 17.102 -1.122 4.594 1.00 1.00 C ATOM 1392 CD GLU A 93 18.593 -0.794 4.600 1.00 1.00 C ATOM 1393 OE1 GLU A 93 19.202 -0.882 3.546 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.100 -0.454 5.656 1.00 1.00 O ATOM 0 H GLU A 93 15.585 0.272 6.259 1.00 1.00 H new ATOM 0 HA GLU A 93 17.557 1.604 4.650 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.260 -0.253 3.867 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.661 0.126 2.884 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.747 -1.255 5.616 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.931 -2.063 4.072 1.00 1.00 H new ATOM 1401 N ILE A 94 14.365 2.397 4.327 1.00 1.00 N ATOM 1402 CA ILE A 94 13.465 3.394 3.753 1.00 1.00 C ATOM 1403 C ILE A 94 13.833 4.799 4.224 1.00 1.00 C ATOM 1404 O ILE A 94 13.932 5.727 3.423 1.00 1.00 O ATOM 1405 CB ILE A 94 12.025 3.077 4.172 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.427 2.041 3.215 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.176 4.352 4.135 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.440 1.154 3.976 1.00 1.00 C ATOM 0 H ILE A 94 13.915 1.720 4.943 1.00 1.00 H new ATOM 0 HA ILE A 94 13.557 3.360 2.667 1.00 1.00 H new ATOM 0 HB ILE A 94 12.031 2.678 5.186 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.921 2.542 2.390 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.219 1.432 2.780 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.154 4.118 4.434 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.595 5.088 4.821 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.174 4.758 3.124 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.014 0.417 3.296 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.960 0.643 4.786 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.641 1.770 4.390 1.00 1.00 H new ATOM 1420 N VAL A 95 14.043 4.942 5.526 1.00 1.00 N ATOM 1421 CA VAL A 95 14.413 6.233 6.097 1.00 1.00 C ATOM 1422 C VAL A 95 15.812 6.632 5.650 1.00 1.00 C ATOM 1423 O VAL A 95 16.087 7.799 5.375 1.00 1.00 O ATOM 1424 CB VAL A 95 14.340 6.181 7.624 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.613 5.561 8.199 1.00 1.00 C ATOM 1426 CG2 VAL A 95 14.172 7.600 8.173 1.00 1.00 C ATOM 0 H VAL A 95 13.964 4.185 6.205 1.00 1.00 H new ATOM 0 HA VAL A 95 13.707 6.983 5.739 1.00 1.00 H new ATOM 0 HB VAL A 95 13.488 5.567 7.915 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.544 5.532 9.286 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.729 4.547 7.815 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.474 6.161 7.906 1.00 1.00 H new ATOM 0 HG21 VAL A 95 14.120 7.565 9.261 1.00 1.00 H new ATOM 0 HG22 VAL A 95 15.023 8.210 7.870 1.00 1.00 H new ATOM 0 HG23 VAL A 95 13.254 8.036 7.779 1.00 1.00 H new ATOM 1436 N SER A 96 16.695 5.649 5.611 1.00 1.00 N ATOM 1437 CA SER A 96 18.082 5.894 5.226 1.00 1.00 C ATOM 1438 C SER A 96 18.163 6.520 3.838 1.00 1.00 C ATOM 1439 O SER A 96 18.894 7.489 3.626 1.00 1.00 O ATOM 1440 CB SER A 96 18.866 4.583 5.239 1.00 1.00 C ATOM 1441 OG SER A 96 19.176 4.233 6.582 1.00 1.00 O ATOM 0 H SER A 96 16.482 4.678 5.839 1.00 1.00 H new ATOM 0 HA SER A 96 18.515 6.588 5.946 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.281 3.792 4.771 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.782 4.688 4.658 1.00 1.00 H new ATOM 0 HG SER A 96 18.351 4.002 7.059 1.00 1.00 H new ATOM 1447 N ILE A 97 17.409 5.970 2.894 1.00 1.00 N ATOM 1448 CA ILE A 97 17.413 6.497 1.535 1.00 1.00 C ATOM 1449 C ILE A 97 16.765 7.880 1.516 1.00 1.00 C ATOM 1450 O ILE A 97 17.217 8.778 0.806 1.00 1.00 O ATOM 1451 CB ILE A 97 16.666 5.545 0.591 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.287 4.145 0.663 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.772 6.052 -0.850 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.219 3.096 0.346 1.00 1.00 C ATOM 0 H ILE A 97 16.794 5.169 3.041 1.00 1.00 H new ATOM 0 HA ILE A 97 18.444 6.583 1.191 1.00 1.00 H new ATOM 0 HB ILE A 97 15.620 5.503 0.895 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.112 4.065 -0.045 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.701 3.970 1.656 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.240 5.372 -1.515 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.331 7.046 -0.919 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.821 6.099 -1.143 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.660 2.101 0.397 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.409 3.171 1.071 1.00 1.00 H new ATOM 0 HD13 ILE A 97 15.826 3.268 -0.656 1.00 1.00 H new ATOM 1466 N LEU A 98 15.706 8.045 2.304 1.00 1.00 N ATOM 1467 CA LEU A 98 15.009 9.326 2.372 1.00 1.00 C ATOM 1468 C LEU A 98 15.982 10.443 2.728 1.00 1.00 C ATOM 1469 O LEU A 98 15.983 11.504 2.104 1.00 1.00 O ATOM 1470 CB LEU A 98 13.898 9.266 3.426 1.00 1.00 C ATOM 1471 CG LEU A 98 12.667 8.560 2.847 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.669 8.280 3.971 1.00 1.00 C ATOM 1473 CD2 LEU A 98 11.998 9.446 1.788 1.00 1.00 C ATOM 0 H LEU A 98 15.314 7.315 2.899 1.00 1.00 H new ATOM 0 HA LEU A 98 14.572 9.531 1.395 1.00 1.00 H new ATOM 0 HB2 LEU A 98 14.251 8.734 4.309 1.00 1.00 H new ATOM 0 HB3 LEU A 98 13.633 10.274 3.746 1.00 1.00 H new ATOM 0 HG LEU A 98 12.980 7.624 2.384 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.792 7.778 3.562 1.00 1.00 H new ATOM 0 HD12 LEU A 98 12.136 7.642 4.721 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.367 9.220 4.432 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.125 8.934 1.384 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.688 10.387 2.243 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.705 9.648 0.983 1.00 1.00 H new ATOM 1485 N ASN A 99 16.814 10.196 3.737 1.00 1.00 N ATOM 1486 CA ASN A 99 17.791 11.190 4.167 1.00 1.00 C ATOM 1487 C ASN A 99 18.699 11.578 3.006 1.00 1.00 C ATOM 1488 O ASN A 99 19.138 12.723 2.902 1.00 1.00 O ATOM 1489 CB ASN A 99 18.635 10.629 5.313 1.00 1.00 C ATOM 1490 CG ASN A 99 18.888 11.716 6.353 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.652 12.647 6.102 1.00 1.00 O ATOM 1492 ND2 ASN A 99 18.288 11.653 7.509 1.00 1.00 N ATOM 0 H ASN A 99 16.831 9.325 4.267 1.00 1.00 H new ATOM 0 HA ASN A 99 17.258 12.076 4.510 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.122 9.785 5.774 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.583 10.254 4.928 1.00 1.00 H new ATOM 0 HD21 ASN A 99 18.451 12.377 8.209 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.655 10.880 7.714 1.00 1.00 H new ATOM 1499 N GLY A 100 18.972 10.614 2.132 1.00 1.00 N ATOM 1500 CA GLY A 100 19.826 10.867 0.976 1.00 1.00 C ATOM 1501 C GLY A 100 19.058 11.611 -0.111 1.00 1.00 C ATOM 1502 O GLY A 100 19.626 12.423 -0.843 1.00 1.00 O ATOM 0 H GLY A 100 18.618 9.660 2.200 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.694 11.452 1.280 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.201 9.923 0.581 1.00 1.00 H new ATOM 1506 N ILE A 101 17.763 11.327 -0.209 1.00 1.00 N ATOM 1507 CA ILE A 101 16.919 11.973 -1.210 1.00 1.00 C ATOM 1508 C ILE A 101 16.604 13.408 -0.800 1.00 1.00 C ATOM 1509 O ILE A 101 16.517 14.299 -1.644 1.00 1.00 O ATOM 1510 CB ILE A 101 15.621 11.184 -1.374 1.00 1.00 C ATOM 1511 CG1 ILE A 101 15.927 9.850 -2.055 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.634 11.980 -2.235 1.00 1.00 C ATOM 1513 CD1 ILE A 101 14.955 8.781 -1.553 1.00 1.00 C ATOM 0 H ILE A 101 17.277 10.658 0.388 1.00 1.00 H new ATOM 0 HA ILE A 101 17.455 11.993 -2.159 1.00 1.00 H new ATOM 0 HB ILE A 101 15.179 11.006 -0.394 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.841 9.955 -3.137 1.00 1.00 H new ATOM 0 HG13 ILE A 101 16.953 9.550 -1.844 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.710 11.412 -2.349 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.417 12.933 -1.753 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.072 12.161 -3.217 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.175 7.831 -2.040 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.063 8.669 -0.474 1.00 1.00 H new ATOM 0 HD13 ILE A 101 13.933 9.080 -1.787 1.00 1.00 H new ATOM 1525 N ALA A 102 16.435 13.622 0.501 1.00 1.00 N ATOM 1526 CA ALA A 102 16.130 14.954 1.011 1.00 1.00 C ATOM 1527 C ALA A 102 17.251 15.929 0.666 1.00 1.00 C ATOM 1528 O ALA A 102 17.013 17.124 0.483 1.00 1.00 O ATOM 1529 CB ALA A 102 15.944 14.902 2.528 1.00 1.00 C ATOM 0 H ALA A 102 16.503 12.897 1.216 1.00 1.00 H new ATOM 0 HA ALA A 102 15.208 15.299 0.544 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.717 15.901 2.901 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.123 14.228 2.771 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.860 14.540 2.995 1.00 1.00 H new ATOM 1535 N LYS A 103 18.473 15.413 0.581 1.00 1.00 N ATOM 1536 CA LYS A 103 19.624 16.249 0.258 1.00 1.00 C ATOM 1537 C LYS A 103 19.661 16.554 -1.237 1.00 1.00 C ATOM 1538 O LYS A 103 20.034 17.653 -1.646 1.00 1.00 O ATOM 1539 CB LYS A 103 20.916 15.539 0.668 1.00 1.00 C ATOM 1540 CG LYS A 103 21.472 16.183 1.939 1.00 1.00 C ATOM 1541 CD LYS A 103 22.708 15.409 2.405 1.00 1.00 C ATOM 1542 CE LYS A 103 22.383 14.659 3.698 1.00 1.00 C ATOM 1543 NZ LYS A 103 23.583 13.897 4.144 1.00 1.00 N ATOM 0 H LYS A 103 18.691 14.428 0.730 1.00 1.00 H new ATOM 0 HA LYS A 103 19.535 17.187 0.807 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.723 14.480 0.839 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.650 15.603 -0.136 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.732 17.224 1.748 1.00 1.00 H new ATOM 0 HG3 LYS A 103 20.713 16.183 2.721 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.022 14.706 1.633 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.539 16.095 2.569 1.00 1.00 H new ATOM 0 HE2 LYS A 103 22.077 15.363 4.472 1.00 1.00 H new ATOM 0 HE3 LYS A 103 21.546 13.979 3.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 23.363 13.387 5.023 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 23.855 13.216 3.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.369 14.556 4.314 1.00 1.00 H new ATOM 1557 N GLN A 104 19.271 15.575 -2.045 1.00 1.00 N ATOM 1558 CA GLN A 104 19.265 15.750 -3.493 1.00 1.00 C ATOM 1559 C GLN A 104 18.062 16.581 -3.925 1.00 1.00 C ATOM 1560 O GLN A 104 18.213 17.626 -4.560 1.00 1.00 O ATOM 1561 CB GLN A 104 19.220 14.386 -4.184 1.00 1.00 C ATOM 1562 CG GLN A 104 20.465 13.582 -3.808 1.00 1.00 C ATOM 1563 CD GLN A 104 21.545 13.768 -4.867 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.093 14.862 -5.013 1.00 1.00 O ATOM 1565 NE2 GLN A 104 21.889 12.759 -5.622 1.00 1.00 N ATOM 0 H GLN A 104 18.957 14.659 -1.726 1.00 1.00 H new ATOM 0 HA GLN A 104 20.177 16.273 -3.782 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.322 13.845 -3.887 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.171 14.516 -5.265 1.00 1.00 H new ATOM 0 HG2 GLN A 104 20.837 13.906 -2.836 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.212 12.526 -3.716 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.435 11.854 -5.501 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.611 12.877 -6.332 1.00 1.00 H new