USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.355 K(o=-0.35,f=-4.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -139:sc= 0.0521 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 67:sc= 0.363 USER MOD Single : A 67 SER OG : rot 150:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 38:sc= 0.531 USER MOD Single : A 74 SER OG : rot -109:sc= 0.451 USER MOD Single : A 81 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.24) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0229 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 2.546 -1.026 -3.596 1.00 0.00 N ATOM 20 CA ALA A 22 2.070 -2.230 -4.300 1.00 0.00 C ATOM 21 C ALA A 22 2.796 -2.316 -5.650 1.00 0.00 C ATOM 22 O ALA A 22 3.059 -1.280 -6.274 1.00 0.00 O ATOM 23 CB ALA A 22 0.541 -2.194 -4.491 1.00 0.00 C ATOM 0 HA ALA A 22 2.292 -3.117 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.218 -3.095 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.054 -2.145 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.268 -1.317 -5.078 1.00 0.00 H new ATOM 29 N ALA A 23 3.145 -3.536 -6.085 1.00 0.00 N ATOM 30 CA ALA A 23 3.833 -3.749 -7.371 1.00 0.00 C ATOM 31 C ALA A 23 2.885 -3.465 -8.551 1.00 0.00 C ATOM 32 O ALA A 23 1.704 -3.830 -8.508 1.00 0.00 O ATOM 33 CB ALA A 23 4.405 -5.167 -7.445 1.00 0.00 C ATOM 0 H ALA A 23 2.962 -4.394 -5.564 1.00 0.00 H new ATOM 0 HA ALA A 23 4.665 -3.048 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.909 -5.306 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.118 -5.315 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.596 -5.891 -7.353 1.00 0.00 H new ATOM 39 N THR A 24 3.407 -2.791 -9.584 1.00 0.00 N ATOM 40 CA THR A 24 2.633 -2.410 -10.774 1.00 0.00 C ATOM 41 C THR A 24 2.469 -3.615 -11.721 1.00 0.00 C ATOM 42 O THR A 24 3.406 -4.404 -11.884 1.00 0.00 O ATOM 43 CB THR A 24 3.340 -1.221 -11.507 1.00 0.00 C ATOM 44 OG1 THR A 24 3.489 -0.123 -10.588 1.00 0.00 O ATOM 45 CG2 THR A 24 2.563 -0.742 -12.751 1.00 0.00 C ATOM 0 H THR A 24 4.382 -2.493 -9.619 1.00 0.00 H new ATOM 0 HA THR A 24 1.639 -2.089 -10.463 1.00 0.00 H new ATOM 0 HB THR A 24 4.311 -1.579 -11.849 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.933 0.624 -11.041 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.099 0.083 -13.219 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.470 -1.564 -13.461 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.570 -0.407 -12.453 1.00 0.00 H new ATOM 53 N GLU A 25 1.259 -3.782 -12.303 1.00 0.00 N ATOM 54 CA GLU A 25 1.019 -4.817 -13.322 1.00 0.00 C ATOM 55 C GLU A 25 1.780 -4.440 -14.602 1.00 0.00 C ATOM 56 O GLU A 25 1.527 -3.383 -15.199 1.00 0.00 O ATOM 57 CB GLU A 25 -0.498 -4.988 -13.618 1.00 0.00 C ATOM 58 CG GLU A 25 -0.827 -6.153 -14.585 1.00 0.00 C ATOM 59 CD GLU A 25 -2.334 -6.328 -14.847 1.00 0.00 C ATOM 60 OE1 GLU A 25 -3.025 -6.946 -14.010 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.839 -5.836 -15.882 1.00 0.00 O ATOM 0 H GLU A 25 0.441 -3.214 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 25 1.381 -5.773 -12.944 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.024 -5.151 -12.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.881 -4.060 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.319 -5.981 -15.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.428 -7.080 -14.173 1.00 0.00 H new ATOM 68 N LEU A 26 2.722 -5.299 -14.998 1.00 0.00 N ATOM 69 CA LEU A 26 3.618 -5.051 -16.128 1.00 0.00 C ATOM 70 C LEU A 26 3.085 -5.796 -17.361 1.00 0.00 C ATOM 71 O LEU A 26 2.770 -6.993 -17.282 1.00 0.00 O ATOM 72 CB LEU A 26 5.063 -5.514 -15.771 1.00 0.00 C ATOM 73 CG LEU A 26 6.210 -4.923 -16.640 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.321 -3.393 -16.435 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.555 -5.630 -16.349 1.00 0.00 C ATOM 0 H LEU A 26 2.885 -6.195 -14.538 1.00 0.00 H new ATOM 0 HA LEU A 26 3.654 -3.985 -16.351 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.257 -5.259 -14.729 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.102 -6.601 -15.845 1.00 0.00 H new ATOM 0 HG LEU A 26 5.967 -5.104 -17.687 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.129 -3.001 -17.052 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.383 -2.918 -16.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.529 -3.181 -15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.337 -5.195 -16.972 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.814 -5.501 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.463 -6.693 -16.572 1.00 0.00 H new ATOM 87 N THR A 27 2.974 -5.072 -18.483 1.00 0.00 N ATOM 88 CA THR A 27 2.486 -5.620 -19.757 1.00 0.00 C ATOM 89 C THR A 27 3.538 -6.574 -20.376 1.00 0.00 C ATOM 90 O THR A 27 4.730 -6.408 -20.102 1.00 0.00 O ATOM 91 CB THR A 27 2.156 -4.456 -20.751 1.00 0.00 C ATOM 92 OG1 THR A 27 3.330 -3.647 -20.968 1.00 0.00 O ATOM 93 CG2 THR A 27 0.995 -3.576 -20.237 1.00 0.00 C ATOM 0 H THR A 27 3.222 -4.084 -18.533 1.00 0.00 H new ATOM 0 HA THR A 27 1.576 -6.189 -19.566 1.00 0.00 H new ATOM 0 HB THR A 27 1.841 -4.903 -21.694 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.117 -2.922 -21.592 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.797 -2.780 -20.955 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.101 -4.187 -20.117 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.267 -3.139 -19.276 1.00 0.00 H new ATOM 101 N PRO A 28 3.123 -7.580 -21.230 1.00 0.00 N ATOM 102 CA PRO A 28 4.071 -8.541 -21.871 1.00 0.00 C ATOM 103 C PRO A 28 5.129 -7.856 -22.775 1.00 0.00 C ATOM 104 O PRO A 28 6.163 -8.453 -23.079 1.00 0.00 O ATOM 105 CB PRO A 28 3.140 -9.481 -22.689 1.00 0.00 C ATOM 106 CG PRO A 28 1.884 -8.689 -22.887 1.00 0.00 C ATOM 107 CD PRO A 28 1.715 -7.879 -21.626 1.00 0.00 C ATOM 0 HA PRO A 28 4.673 -9.066 -21.129 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.591 -9.754 -23.643 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.943 -10.409 -22.152 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.961 -8.043 -23.761 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.028 -9.344 -23.050 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.144 -6.968 -21.805 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.188 -8.439 -20.853 1.00 0.00 H new ATOM 115 N GLU A 29 4.855 -6.597 -23.180 1.00 0.00 N ATOM 116 CA GLU A 29 5.787 -5.787 -23.983 1.00 0.00 C ATOM 117 C GLU A 29 6.973 -5.332 -23.113 1.00 0.00 C ATOM 118 O GLU A 29 8.138 -5.574 -23.447 1.00 0.00 O ATOM 119 CB GLU A 29 5.052 -4.567 -24.591 1.00 0.00 C ATOM 120 CG GLU A 29 3.837 -4.941 -25.461 1.00 0.00 C ATOM 121 CD GLU A 29 3.183 -3.727 -26.145 1.00 0.00 C ATOM 122 OE1 GLU A 29 2.519 -2.931 -25.451 1.00 0.00 O ATOM 123 OE2 GLU A 29 3.340 -3.549 -27.372 1.00 0.00 O ATOM 0 H GLU A 29 3.982 -6.117 -22.958 1.00 0.00 H new ATOM 0 HA GLU A 29 6.171 -6.395 -24.802 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.721 -3.915 -23.783 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.756 -3.994 -25.195 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.150 -5.654 -26.224 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.095 -5.443 -24.840 1.00 0.00 H new ATOM 130 N GLN A 30 6.648 -4.696 -21.974 1.00 0.00 N ATOM 131 CA GLN A 30 7.649 -4.209 -21.006 1.00 0.00 C ATOM 132 C GLN A 30 8.372 -5.382 -20.310 1.00 0.00 C ATOM 133 O GLN A 30 9.566 -5.292 -19.987 1.00 0.00 O ATOM 134 CB GLN A 30 6.977 -3.291 -19.950 1.00 0.00 C ATOM 135 CG GLN A 30 6.378 -1.967 -20.485 1.00 0.00 C ATOM 136 CD GLN A 30 7.417 -0.932 -20.950 1.00 0.00 C ATOM 137 OE1 GLN A 30 8.491 -1.263 -21.444 1.00 0.00 O ATOM 138 NE2 GLN A 30 7.096 0.345 -20.800 1.00 0.00 N ATOM 0 H GLN A 30 5.685 -4.505 -21.698 1.00 0.00 H new ATOM 0 HA GLN A 30 8.393 -3.632 -21.555 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.183 -3.854 -19.461 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.715 -3.050 -19.185 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.714 -2.195 -21.319 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.765 -1.520 -19.703 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.199 0.600 -20.387 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.746 1.073 -21.097 1.00 0.00 H new ATOM 147 N ALA A 31 7.624 -6.479 -20.098 1.00 0.00 N ATOM 148 CA ALA A 31 8.129 -7.703 -19.459 1.00 0.00 C ATOM 149 C ALA A 31 9.154 -8.405 -20.361 1.00 0.00 C ATOM 150 O ALA A 31 10.151 -8.927 -19.873 1.00 0.00 O ATOM 151 CB ALA A 31 6.965 -8.646 -19.119 1.00 0.00 C ATOM 0 H ALA A 31 6.642 -6.540 -20.369 1.00 0.00 H new ATOM 0 HA ALA A 31 8.631 -7.427 -18.532 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.354 -9.548 -18.646 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.279 -8.145 -18.436 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.435 -8.915 -20.033 1.00 0.00 H new ATOM 157 N ALA A 32 8.908 -8.378 -21.689 1.00 0.00 N ATOM 158 CA ALA A 32 9.816 -8.977 -22.696 1.00 0.00 C ATOM 159 C ALA A 32 11.147 -8.207 -22.802 1.00 0.00 C ATOM 160 O ALA A 32 12.158 -8.760 -23.247 1.00 0.00 O ATOM 161 CB ALA A 32 9.127 -9.036 -24.065 1.00 0.00 C ATOM 0 H ALA A 32 8.079 -7.943 -22.093 1.00 0.00 H new ATOM 0 HA ALA A 32 10.048 -9.990 -22.366 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.805 -9.478 -24.795 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.225 -9.644 -23.993 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.860 -8.028 -24.382 1.00 0.00 H new ATOM 167 N ALA A 33 11.133 -6.925 -22.401 1.00 0.00 N ATOM 168 CA ALA A 33 12.333 -6.057 -22.404 1.00 0.00 C ATOM 169 C ALA A 33 13.060 -6.065 -21.042 1.00 0.00 C ATOM 170 O ALA A 33 14.039 -5.334 -20.854 1.00 0.00 O ATOM 171 CB ALA A 33 11.934 -4.628 -22.801 1.00 0.00 C ATOM 0 H ALA A 33 10.292 -6.457 -22.065 1.00 0.00 H new ATOM 0 HA ALA A 33 13.035 -6.454 -23.137 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.818 -3.991 -22.803 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.491 -4.637 -23.797 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.209 -4.241 -22.085 1.00 0.00 H new ATOM 177 N LEU A 34 12.575 -6.893 -20.098 1.00 0.00 N ATOM 178 CA LEU A 34 13.179 -7.049 -18.756 1.00 0.00 C ATOM 179 C LEU A 34 13.381 -8.540 -18.433 1.00 0.00 C ATOM 180 O LEU A 34 12.647 -9.397 -18.929 1.00 0.00 O ATOM 181 CB LEU A 34 12.279 -6.394 -17.665 1.00 0.00 C ATOM 182 CG LEU A 34 12.135 -4.841 -17.712 1.00 0.00 C ATOM 183 CD1 LEU A 34 11.155 -4.332 -16.630 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.511 -4.144 -17.595 1.00 0.00 C ATOM 0 H LEU A 34 11.750 -7.476 -20.242 1.00 0.00 H new ATOM 0 HA LEU A 34 14.147 -6.547 -18.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.283 -6.830 -17.740 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.675 -6.669 -16.688 1.00 0.00 H new ATOM 0 HG LEU A 34 11.715 -4.581 -18.684 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.078 -3.246 -16.691 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.172 -4.775 -16.792 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.523 -4.615 -15.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.376 -3.063 -17.631 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.979 -4.420 -16.650 1.00 0.00 H new ATOM 0 HD23 LEU A 34 14.149 -4.457 -18.421 1.00 0.00 H new ATOM 196 N LYS A 35 14.380 -8.837 -17.591 1.00 0.00 N ATOM 197 CA LYS A 35 14.628 -10.191 -17.072 1.00 0.00 C ATOM 198 C LYS A 35 14.235 -10.226 -15.581 1.00 0.00 C ATOM 199 O LYS A 35 14.723 -9.390 -14.809 1.00 0.00 O ATOM 200 CB LYS A 35 16.123 -10.573 -17.255 1.00 0.00 C ATOM 201 CG LYS A 35 16.517 -11.958 -16.686 1.00 0.00 C ATOM 202 CD LYS A 35 18.008 -12.304 -16.912 1.00 0.00 C ATOM 203 CE LYS A 35 18.969 -11.344 -16.188 1.00 0.00 C ATOM 204 NZ LYS A 35 20.390 -11.649 -16.494 1.00 0.00 N ATOM 0 H LYS A 35 15.043 -8.142 -17.248 1.00 0.00 H new ATOM 0 HA LYS A 35 14.029 -10.916 -17.624 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.360 -10.553 -18.319 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.739 -9.811 -16.776 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.303 -11.980 -15.617 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.897 -12.725 -17.151 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.194 -13.322 -16.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.221 -12.284 -17.981 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.747 -10.318 -16.481 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.807 -11.411 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.005 -10.981 -15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.610 -12.619 -16.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.551 -11.561 -17.518 1.00 0.00 H new ATOM 218 N PRO A 36 13.333 -11.165 -15.149 1.00 0.00 N ATOM 219 CA PRO A 36 12.957 -11.300 -13.729 1.00 0.00 C ATOM 220 C PRO A 36 14.130 -11.838 -12.880 1.00 0.00 C ATOM 221 O PRO A 36 14.878 -12.728 -13.322 1.00 0.00 O ATOM 222 CB PRO A 36 11.765 -12.291 -13.764 1.00 0.00 C ATOM 223 CG PRO A 36 11.991 -13.101 -15.001 1.00 0.00 C ATOM 224 CD PRO A 36 12.608 -12.148 -16.001 1.00 0.00 C ATOM 0 HA PRO A 36 12.696 -10.348 -13.266 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.746 -12.921 -12.875 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.811 -11.764 -13.803 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.653 -13.944 -14.803 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.054 -13.512 -15.377 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.285 -12.664 -16.682 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.848 -11.663 -16.614 1.00 0.00 H new ATOM 232 N TYR A 37 14.297 -11.267 -11.679 1.00 0.00 N ATOM 233 CA TYR A 37 15.297 -11.740 -10.698 1.00 0.00 C ATOM 234 C TYR A 37 14.778 -12.985 -9.959 1.00 0.00 C ATOM 235 O TYR A 37 15.558 -13.803 -9.453 1.00 0.00 O ATOM 236 CB TYR A 37 15.657 -10.615 -9.686 1.00 0.00 C ATOM 237 CG TYR A 37 14.532 -10.194 -8.711 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.438 -9.446 -9.152 1.00 0.00 C ATOM 239 CD2 TYR A 37 14.569 -10.538 -7.351 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.444 -9.047 -8.283 1.00 0.00 C ATOM 241 CE2 TYR A 37 13.567 -10.143 -6.485 1.00 0.00 C ATOM 242 CZ TYR A 37 12.510 -9.406 -6.956 1.00 0.00 C ATOM 243 OH TYR A 37 11.521 -9.002 -6.095 1.00 0.00 O ATOM 0 H TYR A 37 13.749 -10.469 -11.357 1.00 0.00 H new ATOM 0 HA TYR A 37 16.203 -12.011 -11.240 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.515 -10.942 -9.099 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.972 -9.735 -10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.369 -9.174 -10.195 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.396 -11.122 -6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.616 -8.454 -8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.616 -10.414 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 37 11.920 -8.732 -5.242 1.00 0.00 H new ATOM 253 N ASP A 38 13.444 -13.100 -9.925 1.00 0.00 N ATOM 254 CA ASP A 38 12.720 -14.147 -9.209 1.00 0.00 C ATOM 255 C ASP A 38 11.333 -14.317 -9.860 1.00 0.00 C ATOM 256 O ASP A 38 10.957 -13.540 -10.753 1.00 0.00 O ATOM 257 CB ASP A 38 12.617 -13.759 -7.702 1.00 0.00 C ATOM 258 CG ASP A 38 11.958 -14.835 -6.823 1.00 0.00 C ATOM 259 OD1 ASP A 38 12.594 -15.888 -6.591 1.00 0.00 O ATOM 260 OD2 ASP A 38 10.803 -14.646 -6.385 1.00 0.00 O ATOM 0 H ASP A 38 12.827 -12.448 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 38 13.244 -15.101 -9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.618 -13.556 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.048 -12.834 -7.614 1.00 0.00 H new ATOM 265 N ARG A 39 10.593 -15.340 -9.431 1.00 0.00 N ATOM 266 CA ARG A 39 9.235 -15.610 -9.895 1.00 0.00 C ATOM 267 C ARG A 39 8.419 -16.139 -8.705 1.00 0.00 C ATOM 268 O ARG A 39 8.767 -17.170 -8.113 1.00 0.00 O ATOM 269 CB ARG A 39 9.321 -16.652 -11.031 1.00 0.00 C ATOM 270 CG ARG A 39 8.004 -16.968 -11.752 1.00 0.00 C ATOM 271 CD ARG A 39 8.173 -18.109 -12.765 1.00 0.00 C ATOM 272 NE ARG A 39 8.536 -19.370 -12.086 1.00 0.00 N ATOM 273 CZ ARG A 39 8.544 -20.593 -12.630 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.215 -20.789 -13.903 1.00 0.00 N ATOM 275 NH2 ARG A 39 8.885 -21.629 -11.879 1.00 0.00 N ATOM 0 H ARG A 39 10.927 -16.013 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 39 8.747 -14.714 -10.278 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.041 -16.298 -11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.718 -17.579 -10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.244 -17.241 -11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.646 -16.075 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.246 -18.246 -13.322 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.945 -17.846 -13.489 1.00 0.00 H new ATOM 0 HE ARG A 39 8.808 -19.302 -11.105 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.949 -19.997 -14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.229 -21.731 -14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.137 -21.489 -10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.896 -22.567 -12.279 1.00 0.00 H new ATOM 289 N ILE A 40 7.344 -15.429 -8.343 1.00 0.00 N ATOM 290 CA ILE A 40 6.488 -15.803 -7.205 1.00 0.00 C ATOM 291 C ILE A 40 5.287 -16.639 -7.689 1.00 0.00 C ATOM 292 O ILE A 40 4.701 -16.361 -8.741 1.00 0.00 O ATOM 293 CB ILE A 40 5.994 -14.535 -6.396 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.080 -13.607 -7.264 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.206 -13.741 -5.827 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.508 -12.406 -6.529 1.00 0.00 C ATOM 0 H ILE A 40 7.042 -14.583 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 40 7.089 -16.407 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 40 5.391 -14.895 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.655 -13.252 -8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.255 -14.200 -7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.845 -12.873 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.781 -14.383 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.842 -13.410 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.889 -11.823 -7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.901 -12.748 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.323 -11.785 -6.158 1.00 0.00 H new ATOM 308 N VAL A 41 4.956 -17.693 -6.933 1.00 0.00 N ATOM 309 CA VAL A 41 3.796 -18.555 -7.214 1.00 0.00 C ATOM 310 C VAL A 41 2.868 -18.538 -5.995 1.00 0.00 C ATOM 311 O VAL A 41 3.325 -18.694 -4.855 1.00 0.00 O ATOM 312 CB VAL A 41 4.211 -20.041 -7.540 1.00 0.00 C ATOM 313 CG1 VAL A 41 2.980 -20.885 -7.962 1.00 0.00 C ATOM 314 CG2 VAL A 41 5.322 -20.104 -8.619 1.00 0.00 C ATOM 0 H VAL A 41 5.484 -17.975 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 41 3.291 -18.163 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 41 4.619 -20.471 -6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.296 -21.905 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.252 -20.897 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.526 -20.447 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.580 -21.145 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.964 -19.639 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.205 -19.572 -8.264 1.00 0.00 H new ATOM 324 N ILE A 42 1.568 -18.331 -6.247 1.00 0.00 N ATOM 325 CA ILE A 42 0.512 -18.375 -5.221 1.00 0.00 C ATOM 326 C ILE A 42 -0.544 -19.407 -5.637 1.00 0.00 C ATOM 327 O ILE A 42 -0.564 -19.845 -6.788 1.00 0.00 O ATOM 328 CB ILE A 42 -0.186 -16.974 -5.033 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.862 -16.511 -6.364 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.812 -15.910 -4.505 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.730 -15.280 -6.240 1.00 0.00 C ATOM 0 H ILE A 42 1.214 -18.125 -7.181 1.00 0.00 H new ATOM 0 HA ILE A 42 0.975 -18.650 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.966 -17.085 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.084 -16.316 -7.102 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.470 -17.329 -6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.298 -14.956 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.209 -16.230 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.631 -15.795 -5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.156 -15.035 -7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.534 -15.472 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.127 -14.443 -5.887 1.00 0.00 H new ATOM 343 N THR A 43 -1.421 -19.786 -4.697 1.00 0.00 N ATOM 344 CA THR A 43 -2.606 -20.616 -4.978 1.00 0.00 C ATOM 345 C THR A 43 -3.872 -19.804 -4.667 1.00 0.00 C ATOM 346 O THR A 43 -3.884 -18.985 -3.740 1.00 0.00 O ATOM 347 CB THR A 43 -2.595 -21.945 -4.147 1.00 0.00 C ATOM 348 OG1 THR A 43 -2.468 -21.645 -2.749 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.454 -22.891 -4.570 1.00 0.00 C ATOM 0 H THR A 43 -1.330 -19.525 -3.715 1.00 0.00 H new ATOM 0 HA THR A 43 -2.591 -20.894 -6.032 1.00 0.00 H new ATOM 0 HB THR A 43 -3.539 -22.454 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.463 -22.479 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.489 -23.797 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.569 -23.152 -5.622 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.495 -22.394 -4.423 1.00 0.00 H new ATOM 357 N GLY A 44 -4.924 -20.025 -5.459 1.00 0.00 N ATOM 358 CA GLY A 44 -6.208 -19.364 -5.274 1.00 0.00 C ATOM 359 C GLY A 44 -7.348 -20.286 -5.660 1.00 0.00 C ATOM 360 O GLY A 44 -7.533 -20.573 -6.847 1.00 0.00 O ATOM 0 H GLY A 44 -4.904 -20.671 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.318 -19.058 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.246 -18.458 -5.879 1.00 0.00 H new ATOM 364 N ARG A 45 -8.108 -20.770 -4.662 1.00 0.00 N ATOM 365 CA ARG A 45 -9.220 -21.713 -4.888 1.00 0.00 C ATOM 366 C ARG A 45 -10.470 -20.923 -5.353 1.00 0.00 C ATOM 367 O ARG A 45 -11.342 -20.605 -4.540 1.00 0.00 O ATOM 368 CB ARG A 45 -9.500 -22.567 -3.595 1.00 0.00 C ATOM 369 CG ARG A 45 -10.182 -23.954 -3.824 1.00 0.00 C ATOM 370 CD ARG A 45 -11.589 -23.881 -4.444 1.00 0.00 C ATOM 371 NE ARG A 45 -12.119 -25.208 -4.801 1.00 0.00 N ATOM 372 CZ ARG A 45 -13.187 -25.428 -5.578 1.00 0.00 C ATOM 373 NH1 ARG A 45 -13.903 -24.421 -6.065 1.00 0.00 N ATOM 374 NH2 ARG A 45 -13.531 -26.668 -5.875 1.00 0.00 N ATOM 0 H ARG A 45 -7.971 -20.521 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.951 -22.419 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.553 -22.731 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.130 -21.981 -2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.544 -24.555 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.247 -24.475 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.268 -23.400 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.557 -23.254 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.634 -26.024 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.643 -23.459 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.713 -24.610 -6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.984 -27.449 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.343 -26.844 -6.466 1.00 0.00 H new ATOM 388 N PHE A 46 -10.466 -20.565 -6.654 1.00 0.00 N ATOM 389 CA PHE A 46 -11.608 -19.986 -7.386 1.00 0.00 C ATOM 390 C PHE A 46 -12.355 -18.885 -6.600 1.00 0.00 C ATOM 391 O PHE A 46 -13.387 -19.135 -5.964 1.00 0.00 O ATOM 392 CB PHE A 46 -12.567 -21.105 -7.894 1.00 0.00 C ATOM 393 CG PHE A 46 -13.703 -20.594 -8.781 1.00 0.00 C ATOM 394 CD1 PHE A 46 -13.427 -19.905 -9.966 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.039 -20.785 -8.427 1.00 0.00 C ATOM 396 CE1 PHE A 46 -14.451 -19.424 -10.759 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.060 -20.299 -9.220 1.00 0.00 C ATOM 398 CZ PHE A 46 -15.768 -19.624 -10.388 1.00 0.00 C ATOM 0 H PHE A 46 -9.640 -20.675 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.193 -19.476 -8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.987 -21.841 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.995 -21.621 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.401 -19.747 -10.265 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.278 -21.320 -7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.223 -18.891 -11.670 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.088 -20.447 -8.926 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.568 -19.252 -11.012 1.00 0.00 H new ATOM 408 N ASN A 47 -11.782 -17.684 -6.608 1.00 0.00 N ATOM 409 CA ASN A 47 -12.370 -16.495 -5.973 1.00 0.00 C ATOM 410 C ASN A 47 -12.532 -15.409 -7.045 1.00 0.00 C ATOM 411 O ASN A 47 -13.652 -15.042 -7.417 1.00 0.00 O ATOM 412 CB ASN A 47 -11.474 -16.005 -4.802 1.00 0.00 C ATOM 413 CG ASN A 47 -11.410 -16.999 -3.637 1.00 0.00 C ATOM 414 OD1 ASN A 47 -12.222 -16.954 -2.713 1.00 0.00 O ATOM 415 ND2 ASN A 47 -10.440 -17.904 -3.674 1.00 0.00 N ATOM 0 H ASN A 47 -10.886 -17.501 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.346 -16.735 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.465 -15.826 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.853 -15.051 -4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.352 -18.588 -2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.783 -17.915 -4.454 1.00 0.00 H new ATOM 422 N ALA A 48 -11.387 -14.941 -7.562 1.00 0.00 N ATOM 423 CA ALA A 48 -11.320 -13.960 -8.651 1.00 0.00 C ATOM 424 C ALA A 48 -9.882 -13.894 -9.168 1.00 0.00 C ATOM 425 O ALA A 48 -8.930 -14.115 -8.403 1.00 0.00 O ATOM 426 CB ALA A 48 -11.804 -12.567 -8.195 1.00 0.00 C ATOM 0 H ALA A 48 -10.470 -15.238 -7.230 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.986 -14.278 -9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.739 -11.868 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.838 -12.634 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.177 -12.214 -7.376 1.00 0.00 H new ATOM 432 N ILE A 49 -9.728 -13.603 -10.468 1.00 0.00 N ATOM 433 CA ILE A 49 -8.411 -13.417 -11.089 1.00 0.00 C ATOM 434 C ILE A 49 -7.732 -12.159 -10.503 1.00 0.00 C ATOM 435 O ILE A 49 -6.548 -12.184 -10.210 1.00 0.00 O ATOM 436 CB ILE A 49 -8.498 -13.339 -12.667 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.078 -13.185 -13.317 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.448 -12.211 -13.136 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.107 -14.319 -13.013 1.00 0.00 C ATOM 0 H ILE A 49 -10.509 -13.491 -11.114 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.803 -14.291 -10.858 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.919 -14.285 -13.008 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.196 -13.107 -14.398 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.638 -12.248 -12.976 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.479 -12.191 -14.225 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.450 -12.394 -12.747 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.085 -11.252 -12.766 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.154 -14.124 -13.505 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.952 -14.387 -11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.519 -15.259 -13.380 1.00 0.00 H new ATOM 451 N GLY A 50 -8.531 -11.099 -10.274 1.00 0.00 N ATOM 452 CA GLY A 50 -8.046 -9.843 -9.681 1.00 0.00 C ATOM 453 C GLY A 50 -7.700 -9.973 -8.199 1.00 0.00 C ATOM 454 O GLY A 50 -6.909 -9.190 -7.671 1.00 0.00 O ATOM 0 H GLY A 50 -9.527 -11.091 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.163 -9.508 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.807 -9.073 -9.804 1.00 0.00 H new ATOM 458 N ASP A 51 -8.317 -10.966 -7.530 1.00 0.00 N ATOM 459 CA ASP A 51 -8.003 -11.337 -6.130 1.00 0.00 C ATOM 460 C ASP A 51 -6.595 -11.937 -6.065 1.00 0.00 C ATOM 461 O ASP A 51 -5.786 -11.600 -5.186 1.00 0.00 O ATOM 462 CB ASP A 51 -9.055 -12.354 -5.608 1.00 0.00 C ATOM 463 CG ASP A 51 -8.807 -12.840 -4.164 1.00 0.00 C ATOM 464 OD1 ASP A 51 -9.071 -12.071 -3.214 1.00 0.00 O ATOM 465 OD2 ASP A 51 -8.378 -14.000 -3.968 1.00 0.00 O ATOM 0 H ASP A 51 -9.052 -11.539 -7.945 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.037 -10.449 -5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.043 -11.896 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.069 -13.218 -6.272 1.00 0.00 H new ATOM 470 N ALA A 52 -6.324 -12.822 -7.032 1.00 0.00 N ATOM 471 CA ALA A 52 -5.026 -13.478 -7.189 1.00 0.00 C ATOM 472 C ALA A 52 -3.937 -12.462 -7.595 1.00 0.00 C ATOM 473 O ALA A 52 -2.852 -12.447 -7.026 1.00 0.00 O ATOM 474 CB ALA A 52 -5.140 -14.600 -8.219 1.00 0.00 C ATOM 0 H ALA A 52 -7.009 -13.104 -7.733 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.730 -13.907 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.172 -15.088 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.876 -15.330 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.454 -14.184 -9.177 1.00 0.00 H new ATOM 480 N VAL A 53 -4.266 -11.588 -8.555 1.00 0.00 N ATOM 481 CA VAL A 53 -3.351 -10.546 -9.067 1.00 0.00 C ATOM 482 C VAL A 53 -3.043 -9.492 -7.975 1.00 0.00 C ATOM 483 O VAL A 53 -1.946 -8.928 -7.945 1.00 0.00 O ATOM 484 CB VAL A 53 -3.937 -9.882 -10.377 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.124 -8.649 -10.828 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.010 -10.921 -11.528 1.00 0.00 C ATOM 0 H VAL A 53 -5.181 -11.580 -9.005 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.406 -11.019 -9.334 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.942 -9.538 -10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.568 -8.231 -11.731 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.133 -7.898 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.096 -8.947 -11.034 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.416 -10.446 -12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.010 -11.300 -11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.656 -11.748 -11.232 1.00 0.00 H new ATOM 496 N SER A 54 -4.005 -9.277 -7.056 1.00 0.00 N ATOM 497 CA SER A 54 -3.812 -8.403 -5.880 1.00 0.00 C ATOM 498 C SER A 54 -2.810 -9.045 -4.897 1.00 0.00 C ATOM 499 O SER A 54 -2.021 -8.341 -4.256 1.00 0.00 O ATOM 500 CB SER A 54 -5.162 -8.133 -5.171 1.00 0.00 C ATOM 501 OG SER A 54 -5.023 -7.220 -4.088 1.00 0.00 O ATOM 0 H SER A 54 -4.932 -9.701 -7.106 1.00 0.00 H new ATOM 0 HA SER A 54 -3.408 -7.450 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.876 -7.735 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.572 -9.073 -4.802 1.00 0.00 H new ATOM 0 HG SER A 54 -5.897 -7.075 -3.668 1.00 0.00 H new ATOM 507 N ALA A 55 -2.859 -10.386 -4.789 1.00 0.00 N ATOM 508 CA ALA A 55 -1.927 -11.158 -3.944 1.00 0.00 C ATOM 509 C ALA A 55 -0.515 -11.178 -4.557 1.00 0.00 C ATOM 510 O ALA A 55 0.481 -11.182 -3.832 1.00 0.00 O ATOM 511 CB ALA A 55 -2.454 -12.580 -3.734 1.00 0.00 C ATOM 0 H ALA A 55 -3.541 -10.962 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.859 -10.670 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.757 -13.138 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.427 -12.539 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.554 -13.077 -4.699 1.00 0.00 H new ATOM 517 N VAL A 56 -0.453 -11.189 -5.904 1.00 0.00 N ATOM 518 CA VAL A 56 0.811 -11.089 -6.657 1.00 0.00 C ATOM 519 C VAL A 56 1.393 -9.662 -6.523 1.00 0.00 C ATOM 520 O VAL A 56 2.598 -9.494 -6.394 1.00 0.00 O ATOM 521 CB VAL A 56 0.623 -11.464 -8.180 1.00 0.00 C ATOM 522 CG1 VAL A 56 1.941 -11.317 -8.967 1.00 0.00 C ATOM 523 CG2 VAL A 56 0.069 -12.898 -8.347 1.00 0.00 C ATOM 0 H VAL A 56 -1.278 -11.267 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 56 1.510 -11.808 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.104 -10.762 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.773 -11.583 -10.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.287 -10.285 -8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.695 -11.978 -8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.048 -13.122 -9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.762 -13.610 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.899 -12.974 -7.852 1.00 0.00 H new ATOM 533 N SER A 57 0.504 -8.653 -6.519 1.00 0.00 N ATOM 534 CA SER A 57 0.876 -7.230 -6.361 1.00 0.00 C ATOM 535 C SER A 57 1.479 -6.978 -4.971 1.00 0.00 C ATOM 536 O SER A 57 2.474 -6.257 -4.830 1.00 0.00 O ATOM 537 CB SER A 57 -0.364 -6.336 -6.576 1.00 0.00 C ATOM 538 OG SER A 57 -0.048 -4.956 -6.476 1.00 0.00 O ATOM 0 H SER A 57 -0.500 -8.800 -6.626 1.00 0.00 H new ATOM 0 HA SER A 57 1.628 -6.981 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.792 -6.540 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.125 -6.588 -5.838 1.00 0.00 H new ATOM 0 HG SER A 57 0.533 -4.699 -7.222 1.00 0.00 H new ATOM 544 N ARG A 58 0.853 -7.599 -3.958 1.00 0.00 N ATOM 545 CA ARG A 58 1.301 -7.539 -2.566 1.00 0.00 C ATOM 546 C ARG A 58 2.681 -8.209 -2.423 1.00 0.00 C ATOM 547 O ARG A 58 3.648 -7.564 -2.038 1.00 0.00 O ATOM 548 CB ARG A 58 0.271 -8.243 -1.640 1.00 0.00 C ATOM 549 CG ARG A 58 0.733 -8.375 -0.174 1.00 0.00 C ATOM 550 CD ARG A 58 -0.170 -9.268 0.688 1.00 0.00 C ATOM 551 NE ARG A 58 0.507 -9.626 1.948 1.00 0.00 N ATOM 552 CZ ARG A 58 -0.057 -10.221 3.000 1.00 0.00 C ATOM 553 NH1 ARG A 58 -1.353 -10.516 3.013 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.692 -10.518 4.045 1.00 0.00 N ATOM 0 H ARG A 58 0.013 -8.162 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 58 1.384 -6.493 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.666 -7.686 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.062 -9.237 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.746 -8.777 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.777 -7.382 0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.104 -8.749 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.428 -10.173 0.138 1.00 0.00 H new ATOM 0 HE ARG A 58 1.498 -9.397 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.936 -10.287 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.764 -10.971 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.687 -10.292 4.040 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.276 -10.973 4.858 1.00 0.00 H new ATOM 568 N ARG A 59 2.742 -9.504 -2.783 1.00 0.00 N ATOM 569 CA ARG A 59 3.924 -10.360 -2.562 1.00 0.00 C ATOM 570 C ARG A 59 5.145 -9.867 -3.359 1.00 0.00 C ATOM 571 O ARG A 59 6.258 -9.884 -2.842 1.00 0.00 O ATOM 572 CB ARG A 59 3.568 -11.844 -2.869 1.00 0.00 C ATOM 573 CG ARG A 59 4.728 -12.873 -2.773 1.00 0.00 C ATOM 574 CD ARG A 59 5.549 -12.783 -1.472 1.00 0.00 C ATOM 575 NE ARG A 59 4.744 -12.898 -0.244 1.00 0.00 N ATOM 576 CZ ARG A 59 5.253 -12.936 0.997 1.00 0.00 C ATOM 577 NH1 ARG A 59 6.568 -12.874 1.199 1.00 0.00 N ATOM 578 NH2 ARG A 59 4.444 -13.012 2.039 1.00 0.00 N ATOM 0 H ARG A 59 1.969 -9.989 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 59 4.211 -10.296 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.780 -12.154 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.152 -11.893 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.315 -13.878 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.397 -12.729 -3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.302 -13.571 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.082 -11.832 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 59 3.730 -12.952 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.203 -12.796 0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.940 -12.904 2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.434 -13.042 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.829 -13.041 2.983 1.00 0.00 H new ATOM 592 N ALA A 60 4.923 -9.391 -4.592 1.00 0.00 N ATOM 593 CA ALA A 60 5.996 -8.807 -5.426 1.00 0.00 C ATOM 594 C ALA A 60 6.605 -7.572 -4.736 1.00 0.00 C ATOM 595 O ALA A 60 7.825 -7.410 -4.685 1.00 0.00 O ATOM 596 CB ALA A 60 5.455 -8.444 -6.808 1.00 0.00 C ATOM 0 H ALA A 60 4.007 -9.397 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 60 6.784 -9.550 -5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.255 -8.015 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.073 -9.341 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.650 -7.717 -6.704 1.00 0.00 H new ATOM 602 N ASP A 61 5.724 -6.742 -4.160 1.00 0.00 N ATOM 603 CA ASP A 61 6.120 -5.558 -3.380 1.00 0.00 C ATOM 604 C ASP A 61 6.881 -5.975 -2.096 1.00 0.00 C ATOM 605 O ASP A 61 7.850 -5.324 -1.697 1.00 0.00 O ATOM 606 CB ASP A 61 4.863 -4.723 -3.032 1.00 0.00 C ATOM 607 CG ASP A 61 5.186 -3.415 -2.297 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.694 -2.476 -2.952 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.945 -3.316 -1.069 1.00 0.00 O ATOM 0 H ASP A 61 4.714 -6.872 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 61 6.795 -4.947 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.324 -4.492 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.196 -5.324 -2.414 1.00 0.00 H new ATOM 614 N GLU A 62 6.457 -7.096 -1.479 1.00 0.00 N ATOM 615 CA GLU A 62 7.111 -7.657 -0.275 1.00 0.00 C ATOM 616 C GLU A 62 8.480 -8.283 -0.621 1.00 0.00 C ATOM 617 O GLU A 62 9.338 -8.436 0.256 1.00 0.00 O ATOM 618 CB GLU A 62 6.182 -8.691 0.415 1.00 0.00 C ATOM 619 CG GLU A 62 4.850 -8.088 0.899 1.00 0.00 C ATOM 620 CD GLU A 62 3.904 -9.097 1.570 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.538 -10.105 0.926 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.481 -8.867 2.730 1.00 0.00 O ATOM 0 H GLU A 62 5.654 -7.638 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 62 7.293 -6.840 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.973 -9.503 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.705 -9.128 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.064 -7.284 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.338 -7.638 0.048 1.00 0.00 H new ATOM 629 N GLU A 63 8.687 -8.622 -1.908 1.00 0.00 N ATOM 630 CA GLU A 63 9.993 -9.097 -2.416 1.00 0.00 C ATOM 631 C GLU A 63 10.855 -7.929 -2.926 1.00 0.00 C ATOM 632 O GLU A 63 12.012 -8.131 -3.304 1.00 0.00 O ATOM 633 CB GLU A 63 9.804 -10.175 -3.524 1.00 0.00 C ATOM 634 CG GLU A 63 9.024 -11.432 -3.071 1.00 0.00 C ATOM 635 CD GLU A 63 9.521 -12.021 -1.739 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.647 -12.571 -1.703 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.791 -11.938 -0.718 1.00 0.00 O ATOM 0 H GLU A 63 7.960 -8.576 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 63 10.522 -9.559 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.282 -9.723 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.785 -10.483 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.968 -11.179 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.099 -12.195 -3.846 1.00 0.00 H new ATOM 644 N GLY A 64 10.283 -6.709 -2.929 1.00 0.00 N ATOM 645 CA GLY A 64 11.010 -5.491 -3.315 1.00 0.00 C ATOM 646 C GLY A 64 10.979 -5.208 -4.815 1.00 0.00 C ATOM 647 O GLY A 64 11.676 -4.306 -5.295 1.00 0.00 O ATOM 0 H GLY A 64 9.312 -6.544 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.583 -4.640 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.047 -5.580 -2.992 1.00 0.00 H new ATOM 651 N ALA A 65 10.173 -5.991 -5.552 1.00 0.00 N ATOM 652 CA ALA A 65 9.961 -5.809 -6.995 1.00 0.00 C ATOM 653 C ALA A 65 9.115 -4.559 -7.272 1.00 0.00 C ATOM 654 O ALA A 65 8.125 -4.305 -6.571 1.00 0.00 O ATOM 655 CB ALA A 65 9.281 -7.050 -7.594 1.00 0.00 C ATOM 0 H ALA A 65 9.648 -6.772 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 65 10.935 -5.675 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.130 -6.902 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.913 -7.924 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.317 -7.206 -7.110 1.00 0.00 H new ATOM 661 N ALA A 66 9.521 -3.794 -8.298 1.00 0.00 N ATOM 662 CA ALA A 66 8.782 -2.617 -8.785 1.00 0.00 C ATOM 663 C ALA A 66 7.494 -3.048 -9.499 1.00 0.00 C ATOM 664 O ALA A 66 6.437 -2.431 -9.328 1.00 0.00 O ATOM 665 CB ALA A 66 9.662 -1.791 -9.735 1.00 0.00 C ATOM 0 H ALA A 66 10.379 -3.976 -8.818 1.00 0.00 H new ATOM 0 HA ALA A 66 8.514 -2.000 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.103 -0.924 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.554 -1.457 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.954 -2.405 -10.587 1.00 0.00 H new ATOM 671 N SER A 67 7.611 -4.126 -10.291 1.00 0.00 N ATOM 672 CA SER A 67 6.522 -4.642 -11.127 1.00 0.00 C ATOM 673 C SER A 67 6.453 -6.179 -11.055 1.00 0.00 C ATOM 674 O SER A 67 7.323 -6.829 -10.462 1.00 0.00 O ATOM 675 CB SER A 67 6.731 -4.174 -12.586 1.00 0.00 C ATOM 676 OG SER A 67 6.829 -2.759 -12.671 1.00 0.00 O ATOM 0 H SER A 67 8.473 -4.666 -10.368 1.00 0.00 H new ATOM 0 HA SER A 67 5.575 -4.251 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.637 -4.627 -12.988 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.901 -4.520 -13.202 1.00 0.00 H new ATOM 0 HG SER A 67 7.405 -2.516 -13.426 1.00 0.00 H new ATOM 682 N PHE A 68 5.396 -6.738 -11.661 1.00 0.00 N ATOM 683 CA PHE A 68 5.187 -8.190 -11.784 1.00 0.00 C ATOM 684 C PHE A 68 4.556 -8.499 -13.146 1.00 0.00 C ATOM 685 O PHE A 68 3.990 -7.615 -13.782 1.00 0.00 O ATOM 686 CB PHE A 68 4.280 -8.718 -10.635 1.00 0.00 C ATOM 687 CG PHE A 68 2.828 -8.210 -10.664 1.00 0.00 C ATOM 688 CD1 PHE A 68 1.839 -8.883 -11.396 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.449 -7.075 -9.956 1.00 0.00 C ATOM 690 CE1 PHE A 68 0.537 -8.436 -11.411 1.00 0.00 C ATOM 691 CE2 PHE A 68 1.141 -6.630 -9.976 1.00 0.00 C ATOM 692 CZ PHE A 68 0.189 -7.309 -10.700 1.00 0.00 C ATOM 0 H PHE A 68 4.650 -6.187 -12.086 1.00 0.00 H new ATOM 0 HA PHE A 68 6.151 -8.693 -11.708 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.268 -9.807 -10.674 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.728 -8.438 -9.682 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.103 -9.767 -11.957 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.187 -6.534 -9.383 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.211 -8.969 -11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.865 -5.746 -9.421 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.832 -6.958 -10.711 1.00 0.00 H new ATOM 702 N TYR A 69 4.585 -9.771 -13.539 1.00 0.00 N ATOM 703 CA TYR A 69 4.006 -10.242 -14.801 1.00 0.00 C ATOM 704 C TYR A 69 3.375 -11.616 -14.578 1.00 0.00 C ATOM 705 O TYR A 69 4.090 -12.586 -14.325 1.00 0.00 O ATOM 706 CB TYR A 69 5.102 -10.304 -15.897 1.00 0.00 C ATOM 707 CG TYR A 69 4.695 -11.020 -17.193 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.779 -10.449 -18.074 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.229 -12.274 -17.531 1.00 0.00 C ATOM 710 CE1 TYR A 69 3.406 -11.098 -19.234 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.859 -12.921 -18.692 1.00 0.00 C ATOM 712 CZ TYR A 69 3.949 -12.331 -19.539 1.00 0.00 C ATOM 713 OH TYR A 69 3.570 -12.979 -20.698 1.00 0.00 O ATOM 0 H TYR A 69 5.015 -10.513 -12.987 1.00 0.00 H new ATOM 0 HA TYR A 69 3.234 -9.550 -15.137 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.404 -9.286 -16.143 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.977 -10.805 -15.484 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.354 -9.483 -17.846 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.943 -12.741 -16.869 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.690 -10.642 -19.902 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.281 -13.885 -18.935 1.00 0.00 H new ATOM 0 HH TYR A 69 4.044 -13.834 -20.765 1.00 0.00 H new ATOM 723 N VAL A 70 2.036 -11.687 -14.664 1.00 0.00 N ATOM 724 CA VAL A 70 1.300 -12.957 -14.602 1.00 0.00 C ATOM 725 C VAL A 70 1.703 -13.827 -15.807 1.00 0.00 C ATOM 726 O VAL A 70 1.436 -13.461 -16.957 1.00 0.00 O ATOM 727 CB VAL A 70 -0.258 -12.728 -14.578 1.00 0.00 C ATOM 728 CG1 VAL A 70 -1.034 -14.074 -14.545 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.660 -11.816 -13.388 1.00 0.00 C ATOM 0 H VAL A 70 1.438 -10.869 -14.778 1.00 0.00 H new ATOM 0 HA VAL A 70 1.560 -13.467 -13.674 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.534 -12.221 -15.502 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.106 -13.876 -14.529 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.786 -14.659 -15.431 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.755 -14.633 -13.652 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.740 -11.670 -13.390 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.359 -12.286 -12.452 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.164 -10.850 -13.486 1.00 0.00 H new ATOM 739 N VAL A 71 2.384 -14.953 -15.527 1.00 0.00 N ATOM 740 CA VAL A 71 2.907 -15.854 -16.555 1.00 0.00 C ATOM 741 C VAL A 71 1.790 -16.786 -17.013 1.00 0.00 C ATOM 742 O VAL A 71 1.533 -16.934 -18.214 1.00 0.00 O ATOM 743 CB VAL A 71 4.113 -16.713 -16.012 1.00 0.00 C ATOM 744 CG1 VAL A 71 4.705 -17.647 -17.100 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.200 -15.812 -15.398 1.00 0.00 C ATOM 0 H VAL A 71 2.585 -15.260 -14.575 1.00 0.00 H new ATOM 0 HA VAL A 71 3.270 -15.251 -17.388 1.00 0.00 H new ATOM 0 HB VAL A 71 3.720 -17.356 -15.224 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.532 -18.218 -16.679 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.933 -18.332 -17.451 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.066 -17.048 -17.936 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.020 -16.429 -15.031 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.574 -15.125 -16.157 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.776 -15.243 -14.571 1.00 0.00 H new ATOM 755 N ASP A 72 1.107 -17.385 -16.027 1.00 0.00 N ATOM 756 CA ASP A 72 0.174 -18.478 -16.274 1.00 0.00 C ATOM 757 C ASP A 72 -0.729 -18.708 -15.057 1.00 0.00 C ATOM 758 O ASP A 72 -0.294 -18.558 -13.909 1.00 0.00 O ATOM 759 CB ASP A 72 0.994 -19.746 -16.609 1.00 0.00 C ATOM 760 CG ASP A 72 0.141 -20.976 -16.932 1.00 0.00 C ATOM 761 OD1 ASP A 72 -0.538 -20.977 -17.977 1.00 0.00 O ATOM 762 OD2 ASP A 72 0.158 -21.946 -16.148 1.00 0.00 O ATOM 0 H ASP A 72 1.189 -17.123 -15.045 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.478 -18.231 -17.112 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.641 -19.533 -17.460 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.643 -19.979 -15.765 1.00 0.00 H new ATOM 767 N THR A 73 -1.997 -19.053 -15.333 1.00 0.00 N ATOM 768 CA THR A 73 -2.986 -19.430 -14.319 1.00 0.00 C ATOM 769 C THR A 73 -3.467 -20.855 -14.636 1.00 0.00 C ATOM 770 O THR A 73 -4.239 -21.066 -15.576 1.00 0.00 O ATOM 771 CB THR A 73 -4.188 -18.410 -14.291 1.00 0.00 C ATOM 772 OG1 THR A 73 -4.824 -18.321 -15.584 1.00 0.00 O ATOM 773 CG2 THR A 73 -3.721 -17.003 -13.887 1.00 0.00 C ATOM 0 H THR A 73 -2.366 -19.077 -16.283 1.00 0.00 H new ATOM 0 HA THR A 73 -2.535 -19.404 -13.327 1.00 0.00 H new ATOM 0 HB THR A 73 -4.898 -18.785 -13.553 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.850 -19.209 -15.998 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.574 -16.325 -13.878 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.275 -17.039 -12.893 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.981 -16.645 -14.603 1.00 0.00 H new ATOM 781 N SER A 74 -2.995 -21.831 -13.853 1.00 0.00 N ATOM 782 CA SER A 74 -3.215 -23.265 -14.123 1.00 0.00 C ATOM 783 C SER A 74 -3.760 -23.985 -12.886 1.00 0.00 C ATOM 784 O SER A 74 -3.384 -23.664 -11.758 1.00 0.00 O ATOM 785 CB SER A 74 -1.893 -23.914 -14.600 1.00 0.00 C ATOM 786 OG SER A 74 -0.796 -23.521 -13.790 1.00 0.00 O ATOM 0 H SER A 74 -2.448 -21.653 -13.011 1.00 0.00 H new ATOM 0 HA SER A 74 -3.962 -23.360 -14.911 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.991 -24.999 -14.579 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.701 -23.632 -15.635 1.00 0.00 H new ATOM 0 HG SER A 74 -0.214 -22.917 -14.297 1.00 0.00 H new ATOM 792 N GLU A 75 -4.639 -24.971 -13.130 1.00 0.00 N ATOM 793 CA GLU A 75 -5.270 -25.791 -12.083 1.00 0.00 C ATOM 794 C GLU A 75 -4.205 -26.615 -11.332 1.00 0.00 C ATOM 795 O GLU A 75 -3.471 -27.400 -11.944 1.00 0.00 O ATOM 796 CB GLU A 75 -6.348 -26.691 -12.734 1.00 0.00 C ATOM 797 CG GLU A 75 -7.492 -25.890 -13.403 1.00 0.00 C ATOM 798 CD GLU A 75 -8.313 -26.720 -14.397 1.00 0.00 C ATOM 799 OE1 GLU A 75 -7.842 -26.913 -15.534 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.420 -27.179 -14.061 1.00 0.00 O ATOM 0 H GLU A 75 -4.935 -25.224 -14.073 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.754 -25.151 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.876 -27.329 -13.481 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.770 -27.348 -11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.155 -25.502 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.069 -25.030 -13.921 1.00 0.00 H new ATOM 866 N ASN A 81 -9.291 -25.566 -7.543 1.00 0.00 N ATOM 867 CA ASN A 81 -8.092 -25.010 -6.914 1.00 0.00 C ATOM 868 C ASN A 81 -7.038 -24.784 -8.000 1.00 0.00 C ATOM 869 O ASN A 81 -6.319 -25.695 -8.392 1.00 0.00 O ATOM 870 CB ASN A 81 -7.578 -25.922 -5.747 1.00 0.00 C ATOM 871 CG ASN A 81 -7.179 -27.348 -6.151 1.00 0.00 C ATOM 872 OD1 ASN A 81 -8.018 -28.231 -6.285 1.00 0.00 O ATOM 873 ND2 ASN A 81 -5.888 -27.583 -6.311 1.00 0.00 N ATOM 0 HA ASN A 81 -8.324 -24.052 -6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.717 -25.440 -5.284 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.356 -25.983 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.566 -28.520 -6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.214 -26.827 -6.193 1.00 0.00 H new ATOM 880 N TRP A 82 -7.034 -23.572 -8.570 1.00 0.00 N ATOM 881 CA TRP A 82 -5.987 -23.133 -9.505 1.00 0.00 C ATOM 882 C TRP A 82 -4.919 -22.334 -8.748 1.00 0.00 C ATOM 883 O TRP A 82 -5.055 -22.067 -7.553 1.00 0.00 O ATOM 884 CB TRP A 82 -6.585 -22.349 -10.723 1.00 0.00 C ATOM 885 CG TRP A 82 -7.669 -21.343 -10.384 1.00 0.00 C ATOM 886 CD1 TRP A 82 -9.019 -21.573 -10.368 1.00 0.00 C ATOM 887 CD2 TRP A 82 -7.502 -19.956 -10.030 1.00 0.00 C ATOM 888 NE1 TRP A 82 -9.692 -20.429 -10.032 1.00 0.00 N ATOM 889 CE2 TRP A 82 -8.787 -19.423 -9.820 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.394 -19.117 -9.870 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -8.997 -18.094 -9.450 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.605 -17.798 -9.510 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.896 -17.297 -9.306 1.00 0.00 C ATOM 0 H TRP A 82 -7.753 -22.870 -8.398 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.504 -24.012 -9.933 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.774 -21.826 -11.230 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.992 -23.070 -11.432 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -9.486 -22.521 -10.589 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -10.705 -20.340 -9.952 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.393 -19.492 -10.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -9.992 -17.710 -9.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.757 -17.142 -9.384 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -8.025 -16.261 -9.030 1.00 0.00 H new ATOM 904 N ARG A 83 -3.843 -22.006 -9.454 1.00 0.00 N ATOM 905 CA ARG A 83 -2.683 -21.291 -8.910 1.00 0.00 C ATOM 906 C ARG A 83 -2.161 -20.319 -9.978 1.00 0.00 C ATOM 907 O ARG A 83 -2.371 -20.536 -11.181 1.00 0.00 O ATOM 908 CB ARG A 83 -1.600 -22.323 -8.441 1.00 0.00 C ATOM 909 CG ARG A 83 -0.957 -23.200 -9.551 1.00 0.00 C ATOM 910 CD ARG A 83 0.309 -22.581 -10.179 1.00 0.00 C ATOM 911 NE ARG A 83 0.708 -23.281 -11.408 1.00 0.00 N ATOM 912 CZ ARG A 83 1.919 -23.238 -11.968 1.00 0.00 C ATOM 913 NH1 ARG A 83 2.942 -22.647 -11.361 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.114 -23.827 -13.128 1.00 0.00 N ATOM 0 H ARG A 83 -3.746 -22.233 -10.444 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.958 -20.705 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.805 -21.777 -7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.055 -22.984 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.704 -24.173 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.693 -23.373 -10.336 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.127 -21.530 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.126 -22.617 -9.459 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.001 -23.848 -11.873 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.811 -22.213 -10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.858 -22.627 -11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.344 -24.310 -13.590 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.035 -23.800 -13.565 1.00 0.00 H new ATOM 928 N VAL A 84 -1.488 -19.252 -9.533 1.00 0.00 N ATOM 929 CA VAL A 84 -0.950 -18.207 -10.415 1.00 0.00 C ATOM 930 C VAL A 84 0.570 -18.144 -10.258 1.00 0.00 C ATOM 931 O VAL A 84 1.078 -17.789 -9.189 1.00 0.00 O ATOM 932 CB VAL A 84 -1.579 -16.796 -10.101 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.046 -15.701 -11.062 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.119 -16.865 -10.137 1.00 0.00 C ATOM 0 H VAL A 84 -1.299 -19.087 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.210 -18.463 -11.442 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.272 -16.516 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.504 -14.744 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.036 -15.623 -10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.296 -15.966 -12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.533 -15.881 -9.918 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.446 -17.184 -11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.469 -17.580 -9.392 1.00 0.00 H new ATOM 944 N VAL A 85 1.284 -18.540 -11.314 1.00 0.00 N ATOM 945 CA VAL A 85 2.727 -18.325 -11.427 1.00 0.00 C ATOM 946 C VAL A 85 2.957 -16.968 -12.120 1.00 0.00 C ATOM 947 O VAL A 85 2.345 -16.681 -13.158 1.00 0.00 O ATOM 948 CB VAL A 85 3.433 -19.506 -12.194 1.00 0.00 C ATOM 949 CG1 VAL A 85 2.868 -19.725 -13.607 1.00 0.00 C ATOM 950 CG2 VAL A 85 4.959 -19.321 -12.234 1.00 0.00 C ATOM 0 H VAL A 85 0.876 -19.020 -12.116 1.00 0.00 H new ATOM 0 HA VAL A 85 3.176 -18.306 -10.434 1.00 0.00 H new ATOM 0 HB VAL A 85 3.214 -20.409 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.394 -20.551 -14.085 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.806 -19.960 -13.542 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.003 -18.819 -14.197 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.413 -20.154 -12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.199 -18.388 -12.743 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.349 -19.290 -11.216 1.00 0.00 H new ATOM 960 N ALA A 86 3.792 -16.115 -11.508 1.00 0.00 N ATOM 961 CA ALA A 86 4.029 -14.742 -11.979 1.00 0.00 C ATOM 962 C ALA A 86 5.483 -14.312 -11.727 1.00 0.00 C ATOM 963 O ALA A 86 5.996 -14.491 -10.623 1.00 0.00 O ATOM 964 CB ALA A 86 3.056 -13.771 -11.297 1.00 0.00 C ATOM 0 H ALA A 86 4.323 -16.358 -10.671 1.00 0.00 H new ATOM 0 HA ALA A 86 3.854 -14.718 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.242 -12.758 -11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.031 -14.057 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.203 -13.807 -10.218 1.00 0.00 H new ATOM 970 N ASP A 87 6.134 -13.743 -12.758 1.00 0.00 N ATOM 971 CA ASP A 87 7.479 -13.151 -12.633 1.00 0.00 C ATOM 972 C ASP A 87 7.426 -11.862 -11.806 1.00 0.00 C ATOM 973 O ASP A 87 6.367 -11.239 -11.682 1.00 0.00 O ATOM 974 CB ASP A 87 8.078 -12.828 -14.023 1.00 0.00 C ATOM 975 CG ASP A 87 8.315 -14.056 -14.917 1.00 0.00 C ATOM 976 OD1 ASP A 87 8.982 -15.010 -14.466 1.00 0.00 O ATOM 977 OD2 ASP A 87 7.873 -14.054 -16.085 1.00 0.00 O ATOM 0 H ASP A 87 5.744 -13.681 -13.698 1.00 0.00 H new ATOM 0 HA ASP A 87 8.111 -13.884 -12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.410 -12.141 -14.542 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.026 -12.307 -13.884 1.00 0.00 H new ATOM 982 N VAL A 88 8.576 -11.477 -11.237 1.00 0.00 N ATOM 983 CA VAL A 88 8.733 -10.213 -10.498 1.00 0.00 C ATOM 984 C VAL A 88 10.016 -9.502 -10.966 1.00 0.00 C ATOM 985 O VAL A 88 11.044 -10.150 -11.209 1.00 0.00 O ATOM 986 CB VAL A 88 8.724 -10.441 -8.936 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.335 -10.912 -8.463 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.808 -11.441 -8.481 1.00 0.00 C ATOM 0 H VAL A 88 9.429 -12.035 -11.275 1.00 0.00 H new ATOM 0 HA VAL A 88 7.879 -9.572 -10.716 1.00 0.00 H new ATOM 0 HB VAL A 88 8.954 -9.480 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.350 -11.063 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.590 -10.157 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.081 -11.850 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.760 -11.563 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.639 -12.404 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.792 -11.063 -8.760 1.00 0.00 H new ATOM 998 N TYR A 89 9.934 -8.167 -11.117 1.00 0.00 N ATOM 999 CA TYR A 89 10.982 -7.342 -11.759 1.00 0.00 C ATOM 1000 C TYR A 89 11.376 -6.176 -10.840 1.00 0.00 C ATOM 1001 O TYR A 89 10.503 -5.516 -10.275 1.00 0.00 O ATOM 1002 CB TYR A 89 10.476 -6.771 -13.115 1.00 0.00 C ATOM 1003 CG TYR A 89 10.014 -7.824 -14.126 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.720 -8.342 -14.076 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.862 -8.299 -15.125 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.298 -9.286 -14.983 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.435 -9.245 -16.038 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.156 -9.736 -15.964 1.00 0.00 C ATOM 1009 OH TYR A 89 8.727 -10.685 -16.873 1.00 0.00 O ATOM 0 H TYR A 89 9.133 -7.623 -10.795 1.00 0.00 H new ATOM 0 HA TYR A 89 11.849 -7.977 -11.938 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.649 -6.089 -12.919 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.275 -6.182 -13.565 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.038 -7.996 -13.313 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.872 -7.921 -15.187 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.292 -9.676 -14.927 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.106 -9.597 -16.807 1.00 0.00 H new ATOM 0 HH TYR A 89 9.453 -10.892 -17.498 1.00 0.00 H new ATOM 1019 N LYS A 90 12.689 -5.917 -10.728 1.00 0.00 N ATOM 1020 CA LYS A 90 13.238 -4.805 -9.929 1.00 0.00 C ATOM 1021 C LYS A 90 13.165 -3.469 -10.692 1.00 0.00 C ATOM 1022 O LYS A 90 12.903 -3.433 -11.901 1.00 0.00 O ATOM 1023 CB LYS A 90 14.724 -5.094 -9.555 1.00 0.00 C ATOM 1024 CG LYS A 90 14.944 -6.241 -8.552 1.00 0.00 C ATOM 1025 CD LYS A 90 14.266 -5.997 -7.182 1.00 0.00 C ATOM 1026 CE LYS A 90 14.738 -4.701 -6.493 1.00 0.00 C ATOM 1027 NZ LYS A 90 16.211 -4.662 -6.287 1.00 0.00 N ATOM 0 H LYS A 90 13.405 -6.476 -11.192 1.00 0.00 H new ATOM 0 HA LYS A 90 12.633 -4.724 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.272 -5.323 -10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.160 -4.185 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.559 -7.167 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.014 -6.381 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.186 -5.954 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.470 -6.844 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.437 -3.844 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.238 -4.604 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.467 -3.794 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.506 -5.491 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.691 -4.675 -7.210 1.00 0.00 H new ATOM 1041 N ALA A 91 13.401 -2.376 -9.945 1.00 0.00 N ATOM 1042 CA ALA A 91 13.608 -1.032 -10.502 1.00 0.00 C ATOM 1043 C ALA A 91 15.131 -0.767 -10.577 1.00 0.00 C ATOM 1044 O ALA A 91 15.719 -0.872 -11.672 1.00 0.00 O ATOM 1045 CB ALA A 91 12.882 0.026 -9.637 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.750 -0.523 -9.520 1.00 0.00 O ATOM 0 H ALA A 91 13.453 -2.404 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 91 13.186 -0.965 -11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.044 1.017 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.814 -0.190 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.276 -0.002 -8.621 1.00 0.00 H new