USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 Set 1.1: A 29 LYS NZ :NH3+ -174:sc= 0.492 (180deg=-0.145) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.537 K(o=1,f=-3.5!) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.623 K(o=2.9,f=1.3) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.3 K(o=2.9,f=-1.9!) USER MOD Single : A 1 LYS N :NH3+ -128:sc= 0.292 (180deg=-2.61!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -69:sc= 1.03 USER MOD Single : A 7 LYS NZ :NH3+ 138:sc= 0.0624 (180deg=-0.186) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00926) USER MOD Single : A 13 TYR OH : rot 23:sc= 1.25 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.568 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0.939 (180deg=0.867) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0909 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0425) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 45 THR OG1 : rot -77:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.256 K(o=-0.26,f=-4!) USER MOD Single : A 62 SER OG : rot -88:sc= 0.981 USER MOD Single : A 67 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.8) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -0.032 (180deg=-0.123) USER MOD Single : A 72 LYS NZ :NH3+ 136:sc= 0.44 (180deg=-0.192) USER MOD Single : A 74 SER OG : rot 37:sc= 1.12 USER MOD Single : A 75 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.016 1.941 -1.176 1.00 0.00 N ATOM 2 CA LYS A 1 -17.681 0.895 -2.127 1.00 0.00 C ATOM 3 C LYS A 1 -16.964 1.521 -3.329 1.00 0.00 C ATOM 4 O LYS A 1 -17.138 2.713 -3.568 1.00 0.00 O ATOM 5 CB LYS A 1 -18.947 0.140 -2.566 1.00 0.00 C ATOM 6 CG LYS A 1 -19.414 -0.927 -1.562 1.00 0.00 C ATOM 7 CD LYS A 1 -19.842 -0.344 -0.209 1.00 0.00 C ATOM 8 CE LYS A 1 -20.459 -1.435 0.671 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.843 -0.906 1.992 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.667 1.677 -0.233 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.573 2.834 -1.472 1.00 0.00 H new ATOM 0 H3 LYS A 1 -19.048 2.061 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.016 0.171 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.752 0.858 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.759 -0.337 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -20.250 -1.479 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.608 -1.643 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.980 0.094 0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -20.563 0.459 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.336 -1.852 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -19.746 -2.250 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.258 -1.669 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -20.001 -0.530 2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -21.541 -0.145 1.872 1.00 0.00 H new ATOM 25 N SER A 2 -16.172 0.720 -4.058 1.00 0.00 N ATOM 26 CA SER A 2 -15.388 1.035 -5.268 1.00 0.00 C ATOM 27 C SER A 2 -13.923 1.283 -4.856 1.00 0.00 C ATOM 28 O SER A 2 -13.593 0.976 -3.710 1.00 0.00 O ATOM 29 CB SER A 2 -16.040 2.171 -6.084 1.00 0.00 C ATOM 30 OG SER A 2 -15.661 3.446 -5.594 1.00 0.00 O ATOM 0 H SER A 2 -16.051 -0.257 -3.792 1.00 0.00 H new ATOM 0 HA SER A 2 -15.384 0.191 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.750 2.081 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.125 2.073 -6.044 1.00 0.00 H new ATOM 0 HG SER A 2 -16.068 3.593 -4.715 1.00 0.00 H new ATOM 36 N PRO A 3 -13.022 1.831 -5.704 1.00 0.00 N ATOM 37 CA PRO A 3 -11.657 2.170 -5.298 1.00 0.00 C ATOM 38 C PRO A 3 -11.623 2.931 -3.966 1.00 0.00 C ATOM 39 O PRO A 3 -10.653 2.829 -3.222 1.00 0.00 O ATOM 40 CB PRO A 3 -11.067 2.995 -6.442 1.00 0.00 C ATOM 41 CG PRO A 3 -11.802 2.431 -7.654 1.00 0.00 C ATOM 42 CD PRO A 3 -13.207 2.202 -7.099 1.00 0.00 C ATOM 0 HA PRO A 3 -11.069 1.269 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.252 4.061 -6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.988 2.866 -6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.803 3.129 -8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.349 1.506 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.815 3.102 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.722 1.414 -7.649 1.00 0.00 H new ATOM 50 N GLU A 4 -12.702 3.664 -3.659 1.00 0.00 N ATOM 51 CA GLU A 4 -12.935 4.362 -2.403 1.00 0.00 C ATOM 52 C GLU A 4 -12.544 3.468 -1.214 1.00 0.00 C ATOM 53 O GLU A 4 -11.944 3.937 -0.252 1.00 0.00 O ATOM 54 CB GLU A 4 -14.430 4.710 -2.353 1.00 0.00 C ATOM 55 CG GLU A 4 -14.861 5.451 -1.081 1.00 0.00 C ATOM 56 CD GLU A 4 -16.367 5.699 -1.082 1.00 0.00 C ATOM 57 OE1 GLU A 4 -17.107 4.691 -1.125 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.749 6.888 -1.044 1.00 0.00 O ATOM 0 H GLU A 4 -13.470 3.788 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.329 5.266 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.678 5.324 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.009 3.790 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.585 4.867 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.331 6.401 -1.011 1.00 0.00 H new ATOM 65 N GLU A 5 -12.873 2.175 -1.283 1.00 0.00 N ATOM 66 CA GLU A 5 -12.561 1.197 -0.250 1.00 0.00 C ATOM 67 C GLU A 5 -11.053 1.171 -0.014 1.00 0.00 C ATOM 68 O GLU A 5 -10.562 1.312 1.104 1.00 0.00 O ATOM 69 CB GLU A 5 -12.996 -0.207 -0.696 1.00 0.00 C ATOM 70 CG GLU A 5 -14.505 -0.290 -0.905 1.00 0.00 C ATOM 71 CD GLU A 5 -14.913 -1.626 -1.519 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.664 -2.655 -0.855 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.467 -1.593 -2.643 1.00 0.00 O ATOM 0 H GLU A 5 -13.374 1.776 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.090 1.477 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.485 -0.469 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.692 -0.938 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.013 -0.157 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.829 0.524 -1.554 1.00 0.00 H new ATOM 80 N LEU A 6 -10.328 0.986 -1.112 1.00 0.00 N ATOM 81 CA LEU A 6 -8.881 0.869 -1.125 1.00 0.00 C ATOM 82 C LEU A 6 -8.264 2.193 -0.688 1.00 0.00 C ATOM 83 O LEU A 6 -7.269 2.211 0.026 1.00 0.00 O ATOM 84 CB LEU A 6 -8.394 0.391 -2.498 1.00 0.00 C ATOM 85 CG LEU A 6 -9.028 -0.950 -2.921 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.464 -1.378 -4.277 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.794 -2.074 -1.905 1.00 0.00 C ATOM 0 H LEU A 6 -10.745 0.912 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.555 0.112 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.626 1.150 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.309 0.285 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.104 -0.784 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.913 -2.326 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.694 -0.617 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.383 -1.496 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.265 -2.990 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.723 -2.239 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.227 -1.793 -0.945 1.00 0.00 H new ATOM 99 N LYS A 7 -8.865 3.308 -1.096 1.00 0.00 N ATOM 100 CA LYS A 7 -8.446 4.635 -0.679 1.00 0.00 C ATOM 101 C LYS A 7 -8.591 4.768 0.840 1.00 0.00 C ATOM 102 O LYS A 7 -7.683 5.252 1.515 1.00 0.00 O ATOM 103 CB LYS A 7 -9.267 5.675 -1.449 1.00 0.00 C ATOM 104 CG LYS A 7 -8.597 7.053 -1.409 1.00 0.00 C ATOM 105 CD LYS A 7 -9.319 8.021 -2.353 1.00 0.00 C ATOM 106 CE LYS A 7 -8.610 9.378 -2.417 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.267 9.270 -3.016 1.00 0.00 N ATOM 0 H LYS A 7 -9.663 3.311 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.394 4.804 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.384 5.355 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.267 5.742 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.615 7.445 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.550 6.965 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.368 7.588 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.346 8.162 -2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.212 10.075 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.527 9.792 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.111 10.068 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.549 9.290 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.192 8.376 -3.542 1.00 0.00 H new ATOM 121 N GLY A 8 -9.726 4.320 1.381 1.00 0.00 N ATOM 122 CA GLY A 8 -10.000 4.352 2.805 1.00 0.00 C ATOM 123 C GLY A 8 -8.939 3.532 3.528 1.00 0.00 C ATOM 124 O GLY A 8 -8.304 4.014 4.459 1.00 0.00 O ATOM 0 H GLY A 8 -10.485 3.921 0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.994 5.380 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.992 3.948 3.008 1.00 0.00 H new ATOM 128 N ILE A 9 -8.740 2.293 3.084 1.00 0.00 N ATOM 129 CA ILE A 9 -7.748 1.373 3.626 1.00 0.00 C ATOM 130 C ILE A 9 -6.362 2.034 3.607 1.00 0.00 C ATOM 131 O ILE A 9 -5.686 2.097 4.633 1.00 0.00 O ATOM 132 CB ILE A 9 -7.815 0.067 2.817 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.129 -0.687 3.099 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.586 -0.819 3.031 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.092 -1.567 4.353 1.00 0.00 C ATOM 0 H ILE A 9 -9.280 1.892 2.317 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.952 1.130 4.669 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.808 0.339 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.936 0.038 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.369 -1.311 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.685 -1.728 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.690 -0.279 2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.506 -1.082 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.055 -2.062 4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.309 -2.318 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.885 -0.948 5.226 1.00 0.00 H new ATOM 147 N PHE A 10 -5.939 2.536 2.443 1.00 0.00 N ATOM 148 CA PHE A 10 -4.671 3.230 2.279 1.00 0.00 C ATOM 149 C PHE A 10 -4.556 4.324 3.339 1.00 0.00 C ATOM 150 O PHE A 10 -3.567 4.368 4.056 1.00 0.00 O ATOM 151 CB PHE A 10 -4.571 3.836 0.872 1.00 0.00 C ATOM 152 CG PHE A 10 -3.397 4.782 0.690 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.517 6.106 1.157 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.117 4.277 0.394 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.397 6.745 1.708 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.985 5.045 0.707 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.123 6.208 1.481 1.00 0.00 C ATOM 0 H PHE A 10 -6.479 2.468 1.581 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.853 2.521 2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.490 3.028 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.494 4.372 0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.463 6.624 1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.007 3.308 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.515 7.640 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.010 4.742 0.353 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.250 6.687 1.900 1.00 0.00 H new ATOM 167 N GLU A 11 -5.556 5.203 3.436 1.00 0.00 N ATOM 168 CA GLU A 11 -5.556 6.309 4.385 1.00 0.00 C ATOM 169 C GLU A 11 -5.428 5.801 5.824 1.00 0.00 C ATOM 170 O GLU A 11 -4.586 6.270 6.588 1.00 0.00 O ATOM 171 CB GLU A 11 -6.825 7.146 4.180 1.00 0.00 C ATOM 172 CG GLU A 11 -6.768 8.465 4.960 1.00 0.00 C ATOM 173 CD GLU A 11 -8.017 9.300 4.701 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.017 10.021 3.680 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.956 9.189 5.519 1.00 0.00 O ATOM 0 H GLU A 11 -6.392 5.164 2.853 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.689 6.944 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.954 7.357 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.695 6.572 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.677 8.259 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.881 9.028 4.668 1.00 0.00 H new ATOM 182 N LYS A 12 -6.268 4.833 6.196 1.00 0.00 N ATOM 183 CA LYS A 12 -6.294 4.236 7.503 1.00 0.00 C ATOM 184 C LYS A 12 -4.896 3.754 7.876 1.00 0.00 C ATOM 185 O LYS A 12 -4.397 4.117 8.937 1.00 0.00 O ATOM 186 CB LYS A 12 -7.315 3.100 7.467 1.00 0.00 C ATOM 187 CG LYS A 12 -8.752 3.618 7.606 1.00 0.00 C ATOM 188 CD LYS A 12 -9.788 2.529 7.285 1.00 0.00 C ATOM 189 CE LYS A 12 -9.621 1.250 8.118 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.671 1.523 9.564 1.00 0.00 N ATOM 0 H LYS A 12 -6.966 4.441 5.564 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.590 4.953 8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.216 2.552 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.103 2.396 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.910 3.981 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.898 4.466 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.787 2.931 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.718 2.274 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.406 0.541 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.670 0.778 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.605 0.628 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.876 2.139 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.567 1.996 9.797 1.00 0.00 H new ATOM 204 N TYR A 13 -4.245 2.956 7.021 1.00 0.00 N ATOM 205 CA TYR A 13 -2.902 2.513 7.353 1.00 0.00 C ATOM 206 C TYR A 13 -1.916 3.666 7.285 1.00 0.00 C ATOM 207 O TYR A 13 -1.068 3.750 8.156 1.00 0.00 O ATOM 208 CB TYR A 13 -2.473 1.295 6.548 1.00 0.00 C ATOM 209 CG TYR A 13 -3.079 0.039 7.130 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.377 -0.334 6.749 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.412 -0.677 8.143 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.983 -1.455 7.327 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.102 -1.677 8.847 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.369 -2.101 8.411 1.00 0.00 C ATOM 215 OH TYR A 13 -4.991 -3.138 9.038 1.00 0.00 O ATOM 0 H TYR A 13 -4.614 2.619 6.132 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.911 2.173 8.388 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.784 1.409 5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.386 1.216 6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.909 0.245 6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.380 -0.459 8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.922 -1.822 6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.658 -2.121 9.726 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.643 -3.544 8.430 1.00 0.00 H new ATOM 225 N ALA A 14 -1.999 4.567 6.306 1.00 0.00 N ATOM 226 CA ALA A 14 -1.089 5.706 6.259 1.00 0.00 C ATOM 227 C ALA A 14 -1.078 6.462 7.593 1.00 0.00 C ATOM 228 O ALA A 14 -0.047 6.978 8.008 1.00 0.00 O ATOM 229 CB ALA A 14 -1.473 6.610 5.095 1.00 0.00 C ATOM 0 H ALA A 14 -2.678 4.530 5.546 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.072 5.348 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.795 7.462 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.405 6.051 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.494 6.965 5.232 1.00 0.00 H new ATOM 235 N ALA A 15 -2.224 6.516 8.277 1.00 0.00 N ATOM 236 CA ALA A 15 -2.358 7.172 9.570 1.00 0.00 C ATOM 237 C ALA A 15 -1.873 6.336 10.771 1.00 0.00 C ATOM 238 O ALA A 15 -1.980 6.821 11.894 1.00 0.00 O ATOM 239 CB ALA A 15 -3.823 7.584 9.752 1.00 0.00 C ATOM 0 H ALA A 15 -3.092 6.099 7.940 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.699 8.040 9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.945 8.078 10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.110 8.269 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.457 6.698 9.715 1.00 0.00 H new ATOM 245 N LYS A 16 -1.359 5.106 10.600 1.00 0.00 N ATOM 246 CA LYS A 16 -0.899 4.283 11.721 1.00 0.00 C ATOM 247 C LYS A 16 0.152 5.011 12.567 1.00 0.00 C ATOM 248 O LYS A 16 0.006 5.132 13.780 1.00 0.00 O ATOM 249 CB LYS A 16 -0.326 2.940 11.249 1.00 0.00 C ATOM 250 CG LYS A 16 -0.861 1.791 12.108 1.00 0.00 C ATOM 251 CD LYS A 16 -2.107 1.184 11.460 1.00 0.00 C ATOM 252 CE LYS A 16 -3.328 2.099 11.368 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.467 1.409 10.738 1.00 0.00 N ATOM 0 H LYS A 16 -1.253 4.662 9.688 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.778 4.092 12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.590 2.773 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.762 2.964 11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.093 1.026 12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.102 2.155 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.846 0.857 10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.387 0.293 12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.610 2.434 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.076 2.989 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.281 2.055 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.204 1.111 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.722 0.573 11.302 1.00 0.00 H new ATOM 267 N GLU A 17 1.221 5.470 11.909 1.00 0.00 N ATOM 268 CA GLU A 17 2.334 6.184 12.528 1.00 0.00 C ATOM 269 C GLU A 17 2.818 7.300 11.609 1.00 0.00 C ATOM 270 O GLU A 17 2.921 8.456 12.008 1.00 0.00 O ATOM 271 CB GLU A 17 3.511 5.252 12.894 1.00 0.00 C ATOM 272 CG GLU A 17 3.409 3.752 12.555 1.00 0.00 C ATOM 273 CD GLU A 17 3.637 3.402 11.085 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.143 4.272 10.340 1.00 0.00 O ATOM 275 OE2 GLU A 17 3.316 2.248 10.730 1.00 0.00 O ATOM 0 H GLU A 17 1.336 5.350 10.903 1.00 0.00 H new ATOM 0 HA GLU A 17 1.960 6.609 13.460 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.403 5.640 12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.676 5.336 13.968 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.136 3.209 13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.422 3.396 12.848 1.00 0.00 H new ATOM 282 N GLY A 18 3.142 6.915 10.379 1.00 0.00 N ATOM 283 CA GLY A 18 3.630 7.802 9.340 1.00 0.00 C ATOM 284 C GLY A 18 2.682 8.960 9.012 1.00 0.00 C ATOM 285 O GLY A 18 1.555 9.051 9.492 1.00 0.00 O ATOM 0 H GLY A 18 3.068 5.945 10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.593 8.210 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.805 7.222 8.434 1.00 0.00 H new ATOM 289 N ASP A 19 3.170 9.864 8.162 1.00 0.00 N ATOM 290 CA ASP A 19 2.432 11.026 7.684 1.00 0.00 C ATOM 291 C ASP A 19 1.178 10.499 6.965 1.00 0.00 C ATOM 292 O ASP A 19 1.346 9.703 6.048 1.00 0.00 O ATOM 293 CB ASP A 19 3.374 11.788 6.740 1.00 0.00 C ATOM 294 CG ASP A 19 2.774 13.024 6.080 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.633 13.388 6.432 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.484 13.588 5.217 1.00 0.00 O ATOM 0 H ASP A 19 4.114 9.804 7.779 1.00 0.00 H new ATOM 0 HA ASP A 19 2.112 11.703 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.259 12.089 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.709 11.106 5.959 1.00 0.00 H new ATOM 301 N PRO A 20 -0.055 10.887 7.342 1.00 0.00 N ATOM 302 CA PRO A 20 -1.297 10.327 6.806 1.00 0.00 C ATOM 303 C PRO A 20 -1.480 10.212 5.285 1.00 0.00 C ATOM 304 O PRO A 20 -2.394 9.511 4.859 1.00 0.00 O ATOM 305 CB PRO A 20 -2.448 11.091 7.475 1.00 0.00 C ATOM 306 CG PRO A 20 -1.781 12.322 8.085 1.00 0.00 C ATOM 307 CD PRO A 20 -0.370 11.832 8.400 1.00 0.00 C ATOM 0 HA PRO A 20 -1.270 9.266 7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.213 11.371 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.937 10.485 8.238 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.770 13.161 7.389 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.300 12.659 8.982 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.341 12.658 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.327 11.356 9.380 1.00 0.00 H new ATOM 315 N ASN A 21 -0.668 10.857 4.442 1.00 0.00 N ATOM 316 CA ASN A 21 -0.831 10.714 2.986 1.00 0.00 C ATOM 317 C ASN A 21 0.091 9.582 2.522 1.00 0.00 C ATOM 318 O ASN A 21 -0.075 9.080 1.412 1.00 0.00 O ATOM 319 CB ASN A 21 -0.345 11.935 2.181 1.00 0.00 C ATOM 320 CG ASN A 21 -0.247 13.191 3.013 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.168 13.980 3.163 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.943 13.348 3.566 1.00 0.00 N ATOM 0 H ASN A 21 0.094 11.471 4.730 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.896 10.558 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.632 11.714 1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.027 12.109 1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.129 14.161 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.675 12.656 3.406 1.00 0.00 H new ATOM 329 N GLN A 22 1.090 9.220 3.343 1.00 0.00 N ATOM 330 CA GLN A 22 2.125 8.258 3.033 1.00 0.00 C ATOM 331 C GLN A 22 2.045 6.953 3.830 1.00 0.00 C ATOM 332 O GLN A 22 1.701 6.944 5.003 1.00 0.00 O ATOM 333 CB GLN A 22 3.513 8.845 3.323 1.00 0.00 C ATOM 334 CG GLN A 22 4.101 9.799 2.277 1.00 0.00 C ATOM 335 CD GLN A 22 3.972 11.218 2.794 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.058 11.946 2.437 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.873 11.629 3.669 1.00 0.00 N ATOM 0 H GLN A 22 1.190 9.615 4.278 1.00 0.00 H new ATOM 0 HA GLN A 22 1.969 8.035 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.464 9.375 4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.209 8.017 3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.147 9.558 2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.575 9.692 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.628 11.006 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.813 12.569 4.059 1.00 0.00 H new ATOM 346 N LEU A 23 2.425 5.852 3.181 1.00 0.00 N ATOM 347 CA LEU A 23 2.545 4.523 3.768 1.00 0.00 C ATOM 348 C LEU A 23 4.019 4.161 3.972 1.00 0.00 C ATOM 349 O LEU A 23 4.712 3.886 2.995 1.00 0.00 O ATOM 350 CB LEU A 23 1.946 3.500 2.805 1.00 0.00 C ATOM 351 CG LEU A 23 0.468 3.215 3.024 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.012 2.228 1.939 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.152 2.582 4.382 1.00 0.00 C ATOM 0 H LEU A 23 2.667 5.866 2.190 1.00 0.00 H new ATOM 0 HA LEU A 23 2.025 4.517 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.087 3.855 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.500 2.566 2.897 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.049 4.174 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.047 2.005 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.169 2.671 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.590 1.307 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.921 2.410 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.680 1.633 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.472 3.253 5.179 1.00 0.00 H new ATOM 365 N SER A 24 4.526 4.132 5.205 1.00 0.00 N ATOM 366 CA SER A 24 5.922 3.743 5.428 1.00 0.00 C ATOM 367 C SER A 24 6.090 2.244 5.145 1.00 0.00 C ATOM 368 O SER A 24 5.099 1.533 5.011 1.00 0.00 O ATOM 369 CB SER A 24 6.378 4.113 6.847 1.00 0.00 C ATOM 370 OG SER A 24 5.925 3.165 7.796 1.00 0.00 O ATOM 0 H SER A 24 4.005 4.368 6.050 1.00 0.00 H new ATOM 0 HA SER A 24 6.562 4.295 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.466 4.171 6.878 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.999 5.101 7.107 1.00 0.00 H new ATOM 0 HG SER A 24 6.231 3.425 8.690 1.00 0.00 H new ATOM 376 N LYS A 25 7.321 1.731 5.058 1.00 0.00 N ATOM 377 CA LYS A 25 7.551 0.301 4.844 1.00 0.00 C ATOM 378 C LYS A 25 6.890 -0.483 5.981 1.00 0.00 C ATOM 379 O LYS A 25 6.108 -1.407 5.757 1.00 0.00 O ATOM 380 CB LYS A 25 9.062 0.042 4.718 1.00 0.00 C ATOM 381 CG LYS A 25 9.426 -1.452 4.784 1.00 0.00 C ATOM 382 CD LYS A 25 10.932 -1.713 4.641 1.00 0.00 C ATOM 383 CE LYS A 25 11.474 -1.290 3.270 1.00 0.00 C ATOM 384 NZ LYS A 25 12.870 -1.717 3.082 1.00 0.00 N ATOM 0 H LYS A 25 8.173 2.286 5.133 1.00 0.00 H new ATOM 0 HA LYS A 25 7.097 -0.041 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.418 0.455 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.583 0.572 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.081 -1.862 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.895 -1.984 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.467 -1.173 5.422 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.130 -2.774 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.853 -1.720 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.408 -0.207 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.256 -1.273 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.435 -1.429 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.906 -2.752 2.982 1.00 0.00 H new ATOM 398 N GLU A 26 7.207 -0.080 7.212 1.00 0.00 N ATOM 399 CA GLU A 26 6.650 -0.651 8.428 1.00 0.00 C ATOM 400 C GLU A 26 5.122 -0.663 8.329 1.00 0.00 C ATOM 401 O GLU A 26 4.467 -1.644 8.654 1.00 0.00 O ATOM 402 CB GLU A 26 7.116 0.197 9.622 1.00 0.00 C ATOM 403 CG GLU A 26 6.554 -0.297 10.963 1.00 0.00 C ATOM 404 CD GLU A 26 6.996 0.611 12.105 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.418 1.716 12.205 1.00 0.00 O ATOM 406 OE2 GLU A 26 7.910 0.192 12.846 1.00 0.00 O ATOM 0 H GLU A 26 7.874 0.671 7.390 1.00 0.00 H new ATOM 0 HA GLU A 26 6.991 -1.677 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.205 0.187 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.812 1.232 9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.465 -0.327 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.893 -1.316 11.151 1.00 0.00 H new ATOM 413 N GLU A 27 4.552 0.448 7.878 1.00 0.00 N ATOM 414 CA GLU A 27 3.116 0.616 7.744 1.00 0.00 C ATOM 415 C GLU A 27 2.531 -0.308 6.670 1.00 0.00 C ATOM 416 O GLU A 27 1.503 -0.955 6.878 1.00 0.00 O ATOM 417 CB GLU A 27 2.902 2.102 7.462 1.00 0.00 C ATOM 418 CG GLU A 27 1.604 2.709 7.965 1.00 0.00 C ATOM 419 CD GLU A 27 1.812 4.217 8.136 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.406 4.808 7.207 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.466 4.728 9.224 1.00 0.00 O ATOM 0 H GLU A 27 5.086 1.269 7.591 1.00 0.00 H new ATOM 0 HA GLU A 27 2.583 0.326 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.731 2.655 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.955 2.255 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.796 2.515 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.315 2.256 8.913 1.00 0.00 H new ATOM 428 N LEU A 28 3.194 -0.387 5.514 1.00 0.00 N ATOM 429 CA LEU A 28 2.780 -1.236 4.414 1.00 0.00 C ATOM 430 C LEU A 28 2.741 -2.686 4.891 1.00 0.00 C ATOM 431 O LEU A 28 1.831 -3.419 4.519 1.00 0.00 O ATOM 432 CB LEU A 28 3.747 -1.066 3.233 1.00 0.00 C ATOM 433 CG LEU A 28 3.268 -1.777 1.955 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.069 -1.075 1.307 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.412 -1.853 0.940 1.00 0.00 C ATOM 0 H LEU A 28 4.042 0.146 5.321 1.00 0.00 H new ATOM 0 HA LEU A 28 1.783 -0.952 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.874 -0.004 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.726 -1.455 3.513 1.00 0.00 H new ATOM 0 HG LEU A 28 2.950 -2.778 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.771 -1.617 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.237 -1.053 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.345 -0.055 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.065 -2.358 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.742 -0.845 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.244 -2.410 1.370 1.00 0.00 H new ATOM 447 N LYS A 29 3.713 -3.095 5.714 1.00 0.00 N ATOM 448 CA LYS A 29 3.766 -4.455 6.250 1.00 0.00 C ATOM 449 C LYS A 29 2.411 -4.808 6.864 1.00 0.00 C ATOM 450 O LYS A 29 1.700 -5.668 6.350 1.00 0.00 O ATOM 451 CB LYS A 29 4.903 -4.584 7.275 1.00 0.00 C ATOM 452 CG LYS A 29 4.955 -5.939 7.991 1.00 0.00 C ATOM 453 CD LYS A 29 5.387 -7.061 7.041 1.00 0.00 C ATOM 454 CE LYS A 29 4.296 -8.104 6.778 1.00 0.00 C ATOM 455 NZ LYS A 29 3.909 -8.816 8.009 1.00 0.00 N ATOM 0 H LYS A 29 4.478 -2.496 6.024 1.00 0.00 H new ATOM 0 HA LYS A 29 3.975 -5.160 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.854 -4.417 6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.796 -3.796 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.650 -5.882 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.974 -6.170 8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.693 -6.622 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.261 -7.561 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.421 -7.614 6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.651 -8.823 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.245 -9.581 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.756 -9.219 8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.453 -8.151 8.666 1.00 0.00 H new ATOM 469 N LEU A 30 2.058 -4.137 7.963 1.00 0.00 N ATOM 470 CA LEU A 30 0.790 -4.337 8.649 1.00 0.00 C ATOM 471 C LEU A 30 -0.381 -4.304 7.665 1.00 0.00 C ATOM 472 O LEU A 30 -1.247 -5.177 7.712 1.00 0.00 O ATOM 473 CB LEU A 30 0.558 -3.338 9.799 1.00 0.00 C ATOM 474 CG LEU A 30 1.629 -2.276 10.085 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.020 -1.135 10.904 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.792 -2.876 10.880 1.00 0.00 C ATOM 0 H LEU A 30 2.653 -3.434 8.402 1.00 0.00 H new ATOM 0 HA LEU A 30 0.845 -5.327 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.378 -2.817 9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.413 -3.915 10.713 1.00 0.00 H new ATOM 0 HG LEU A 30 1.999 -1.904 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.784 -0.383 11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.202 -0.681 10.344 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.640 -1.527 11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.538 -2.105 11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.422 -3.265 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.245 -3.686 10.307 1.00 0.00 H new ATOM 488 N LEU A 31 -0.409 -3.305 6.779 1.00 0.00 N ATOM 489 CA LEU A 31 -1.467 -3.159 5.788 1.00 0.00 C ATOM 490 C LEU A 31 -1.651 -4.461 5.017 1.00 0.00 C ATOM 491 O LEU A 31 -2.720 -5.070 5.034 1.00 0.00 O ATOM 492 CB LEU A 31 -1.105 -2.033 4.809 1.00 0.00 C ATOM 493 CG LEU A 31 -2.309 -1.392 4.106 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.848 -0.550 2.927 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.373 -2.368 3.624 1.00 0.00 C ATOM 0 H LEU A 31 0.304 -2.577 6.732 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.397 -2.915 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.561 -1.259 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.427 -2.429 4.053 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.780 -0.780 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.714 -0.102 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.183 0.238 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.316 -1.181 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.180 -1.817 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.932 -3.064 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.770 -2.923 4.474 1.00 0.00 H new ATOM 507 N LEU A 32 -0.589 -4.878 4.331 1.00 0.00 N ATOM 508 CA LEU A 32 -0.588 -6.068 3.508 1.00 0.00 C ATOM 509 C LEU A 32 -1.002 -7.266 4.338 1.00 0.00 C ATOM 510 O LEU A 32 -1.924 -7.989 3.976 1.00 0.00 O ATOM 511 CB LEU A 32 0.798 -6.305 2.891 1.00 0.00 C ATOM 512 CG LEU A 32 1.198 -5.240 1.863 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.662 -5.465 1.462 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.325 -5.264 0.603 1.00 0.00 C ATOM 0 H LEU A 32 0.304 -4.386 4.337 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.302 -5.929 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.542 -6.329 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.812 -7.284 2.413 1.00 0.00 H new ATOM 0 HG LEU A 32 1.057 -4.266 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.959 -4.713 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.297 -5.384 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.771 -6.458 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.658 -4.487 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.410 -6.237 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.715 -5.084 0.877 1.00 0.00 H new ATOM 526 N GLN A 33 -0.315 -7.470 5.455 1.00 0.00 N ATOM 527 CA GLN A 33 -0.549 -8.616 6.308 1.00 0.00 C ATOM 528 C GLN A 33 -1.995 -8.726 6.790 1.00 0.00 C ATOM 529 O GLN A 33 -2.545 -9.823 6.835 1.00 0.00 O ATOM 530 CB GLN A 33 0.511 -8.644 7.415 1.00 0.00 C ATOM 531 CG GLN A 33 0.035 -8.355 8.840 1.00 0.00 C ATOM 532 CD GLN A 33 1.226 -8.380 9.792 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.042 -7.468 9.817 1.00 0.00 O ATOM 534 NE2 GLN A 33 1.381 -9.430 10.582 1.00 0.00 N ATOM 0 H GLN A 33 0.417 -6.844 5.790 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.428 -9.529 5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.982 -9.627 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.284 -7.918 7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.455 -7.382 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.703 -9.097 9.145 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.700 -10.189 10.560 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.181 -9.480 11.213 1.00 0.00 H new ATOM 543 N THR A 34 -2.606 -7.602 7.159 1.00 0.00 N ATOM 544 CA THR A 34 -3.964 -7.591 7.683 1.00 0.00 C ATOM 545 C THR A 34 -5.031 -7.614 6.582 1.00 0.00 C ATOM 546 O THR A 34 -5.972 -8.399 6.657 1.00 0.00 O ATOM 547 CB THR A 34 -4.146 -6.381 8.612 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.038 -6.277 9.485 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.409 -6.513 9.466 1.00 0.00 C ATOM 0 H THR A 34 -2.174 -6.680 7.103 1.00 0.00 H new ATOM 0 HA THR A 34 -4.106 -8.510 8.252 1.00 0.00 H new ATOM 0 HB THR A 34 -4.231 -5.496 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.272 -5.906 8.999 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.505 -5.639 10.111 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.282 -6.583 8.817 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.341 -7.411 10.080 1.00 0.00 H new ATOM 557 N GLU A 35 -4.914 -6.743 5.576 1.00 0.00 N ATOM 558 CA GLU A 35 -5.925 -6.585 4.534 1.00 0.00 C ATOM 559 C GLU A 35 -5.710 -7.444 3.287 1.00 0.00 C ATOM 560 O GLU A 35 -6.679 -7.770 2.608 1.00 0.00 O ATOM 561 CB GLU A 35 -6.014 -5.106 4.136 1.00 0.00 C ATOM 562 CG GLU A 35 -6.076 -4.144 5.333 1.00 0.00 C ATOM 563 CD GLU A 35 -7.214 -4.427 6.307 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.317 -4.763 5.826 1.00 0.00 O ATOM 565 OE2 GLU A 35 -6.959 -4.267 7.522 1.00 0.00 O ATOM 0 H GLU A 35 -4.110 -6.126 5.463 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.859 -6.940 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.150 -4.852 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.899 -4.959 3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.130 -4.193 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.177 -3.125 4.960 1.00 0.00 H new ATOM 572 N PHE A 36 -4.466 -7.804 2.963 1.00 0.00 N ATOM 573 CA PHE A 36 -4.133 -8.575 1.767 1.00 0.00 C ATOM 574 C PHE A 36 -3.240 -9.783 2.096 1.00 0.00 C ATOM 575 O PHE A 36 -2.233 -9.965 1.414 1.00 0.00 O ATOM 576 CB PHE A 36 -3.407 -7.626 0.793 1.00 0.00 C ATOM 577 CG PHE A 36 -4.161 -6.365 0.406 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.134 -6.400 -0.610 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.823 -5.132 0.993 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.729 -5.210 -1.063 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.399 -3.940 0.524 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.340 -3.975 -0.515 1.00 0.00 C ATOM 0 H PHE A 36 -3.654 -7.565 3.531 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.046 -8.971 1.323 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.457 -7.334 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.174 -8.180 -0.116 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.425 -7.345 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.116 -5.102 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.486 -5.244 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.117 -2.995 0.964 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.764 -3.057 -0.893 1.00 0.00 H new ATOM 592 N PRO A 37 -3.563 -10.619 3.102 1.00 0.00 N ATOM 593 CA PRO A 37 -2.726 -11.743 3.518 1.00 0.00 C ATOM 594 C PRO A 37 -2.337 -12.674 2.368 1.00 0.00 C ATOM 595 O PRO A 37 -1.208 -13.153 2.308 1.00 0.00 O ATOM 596 CB PRO A 37 -3.499 -12.468 4.626 1.00 0.00 C ATOM 597 CG PRO A 37 -4.935 -11.970 4.473 1.00 0.00 C ATOM 598 CD PRO A 37 -4.750 -10.553 3.936 1.00 0.00 C ATOM 0 HA PRO A 37 -1.766 -11.378 3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.439 -13.550 4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.098 -12.230 5.611 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.507 -12.592 3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.468 -11.975 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.619 -10.232 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.623 -9.837 4.748 1.00 0.00 H new ATOM 606 N SER A 38 -3.266 -12.936 1.452 1.00 0.00 N ATOM 607 CA SER A 38 -3.052 -13.772 0.288 1.00 0.00 C ATOM 608 C SER A 38 -2.501 -12.937 -0.868 1.00 0.00 C ATOM 609 O SER A 38 -1.425 -13.191 -1.398 1.00 0.00 O ATOM 610 CB SER A 38 -4.410 -14.393 -0.051 1.00 0.00 C ATOM 611 OG SER A 38 -5.382 -13.359 -0.121 1.00 0.00 O ATOM 0 H SER A 38 -4.212 -12.559 1.506 1.00 0.00 H new ATOM 0 HA SER A 38 -2.317 -14.554 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.355 -14.924 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.691 -15.124 0.707 1.00 0.00 H new ATOM 0 HG SER A 38 -6.256 -13.746 -0.339 1.00 0.00 H new ATOM 617 N LEU A 39 -3.272 -11.925 -1.252 1.00 0.00 N ATOM 618 CA LEU A 39 -3.058 -10.985 -2.325 1.00 0.00 C ATOM 619 C LEU A 39 -1.667 -10.340 -2.293 1.00 0.00 C ATOM 620 O LEU A 39 -1.141 -9.968 -3.340 1.00 0.00 O ATOM 621 CB LEU A 39 -4.207 -9.980 -2.214 1.00 0.00 C ATOM 622 CG LEU A 39 -5.565 -10.551 -2.666 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.693 -9.605 -2.240 1.00 0.00 C ATOM 624 CD2 LEU A 39 -5.635 -10.735 -4.188 1.00 0.00 C ATOM 0 H LEU A 39 -4.147 -11.731 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.067 -11.479 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.288 -9.645 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.972 -9.102 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.677 -11.527 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.651 -10.013 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.689 -9.500 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.542 -8.628 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.610 -11.140 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.492 -9.772 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.854 -11.424 -4.507 1.00 0.00 H new ATOM 636 N LEU A 40 -1.048 -10.211 -1.117 1.00 0.00 N ATOM 637 CA LEU A 40 0.300 -9.664 -1.023 1.00 0.00 C ATOM 638 C LEU A 40 1.328 -10.552 -1.738 1.00 0.00 C ATOM 639 O LEU A 40 2.397 -10.066 -2.101 1.00 0.00 O ATOM 640 CB LEU A 40 0.699 -9.397 0.438 1.00 0.00 C ATOM 641 CG LEU A 40 0.785 -10.633 1.355 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.098 -11.414 1.246 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.673 -10.194 2.821 1.00 0.00 C ATOM 0 H LEU A 40 -1.460 -10.478 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 40 0.295 -8.704 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.668 -8.898 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.020 -8.700 0.868 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.030 -11.280 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.072 -12.266 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.227 -11.769 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.931 -10.764 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.734 -11.069 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.487 -9.509 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.282 -9.692 2.979 1.00 0.00 H new ATOM 655 N LYS A 41 1.032 -11.841 -1.947 1.00 0.00 N ATOM 656 CA LYS A 41 1.941 -12.794 -2.571 1.00 0.00 C ATOM 657 C LYS A 41 2.034 -12.583 -4.087 1.00 0.00 C ATOM 658 O LYS A 41 1.711 -13.473 -4.867 1.00 0.00 O ATOM 659 CB LYS A 41 1.513 -14.230 -2.223 1.00 0.00 C ATOM 660 CG LYS A 41 1.492 -14.489 -0.707 1.00 0.00 C ATOM 661 CD LYS A 41 0.943 -15.882 -0.364 1.00 0.00 C ATOM 662 CE LYS A 41 1.740 -17.041 -0.977 1.00 0.00 C ATOM 663 NZ LYS A 41 3.166 -16.987 -0.609 1.00 0.00 N ATOM 0 H LYS A 41 0.137 -12.252 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 41 2.942 -12.625 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.521 -14.420 -2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.195 -14.934 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.502 -14.390 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.882 -13.729 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.930 -15.998 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.091 -15.947 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.316 -17.988 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.645 -17.012 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.651 -17.832 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.599 -16.136 -1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.256 -16.955 0.427 1.00 0.00 H new ATOM 677 N GLY A 42 2.491 -11.403 -4.510 1.00 0.00 N ATOM 678 CA GLY A 42 2.661 -11.086 -5.919 1.00 0.00 C ATOM 679 C GLY A 42 3.857 -11.857 -6.473 1.00 0.00 C ATOM 680 O GLY A 42 3.753 -12.563 -7.471 1.00 0.00 O ATOM 0 H GLY A 42 2.752 -10.644 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.759 -11.346 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.815 -10.014 -6.046 1.00 0.00 H new ATOM 684 N GLY A 43 5.004 -11.706 -5.809 1.00 0.00 N ATOM 685 CA GLY A 43 6.258 -12.357 -6.156 1.00 0.00 C ATOM 686 C GLY A 43 7.364 -11.570 -5.472 1.00 0.00 C ATOM 687 O GLY A 43 8.115 -12.094 -4.653 1.00 0.00 O ATOM 0 H GLY A 43 5.083 -11.106 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.260 -13.395 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.402 -12.368 -7.236 1.00 0.00 H new ATOM 691 N SER A 44 7.428 -10.284 -5.809 1.00 0.00 N ATOM 692 CA SER A 44 8.338 -9.308 -5.250 1.00 0.00 C ATOM 693 C SER A 44 8.285 -9.339 -3.721 1.00 0.00 C ATOM 694 O SER A 44 7.197 -9.303 -3.149 1.00 0.00 O ATOM 695 CB SER A 44 7.848 -7.947 -5.749 1.00 0.00 C ATOM 696 OG SER A 44 7.624 -8.017 -7.146 1.00 0.00 O ATOM 0 H SER A 44 6.812 -9.882 -6.516 1.00 0.00 H new ATOM 0 HA SER A 44 9.366 -9.511 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.929 -7.667 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.586 -7.177 -5.525 1.00 0.00 H new ATOM 0 HG SER A 44 7.308 -7.148 -7.471 1.00 0.00 H new ATOM 702 N THR A 45 9.440 -9.387 -3.054 1.00 0.00 N ATOM 703 CA THR A 45 9.485 -9.371 -1.600 1.00 0.00 C ATOM 704 C THR A 45 8.991 -8.009 -1.103 1.00 0.00 C ATOM 705 O THR A 45 8.897 -7.060 -1.878 1.00 0.00 O ATOM 706 CB THR A 45 10.916 -9.638 -1.109 1.00 0.00 C ATOM 707 OG1 THR A 45 11.799 -8.668 -1.633 1.00 0.00 O ATOM 708 CG2 THR A 45 11.395 -11.039 -1.500 1.00 0.00 C ATOM 0 H THR A 45 10.355 -9.437 -3.503 1.00 0.00 H new ATOM 0 HA THR A 45 8.841 -10.156 -1.204 1.00 0.00 H new ATOM 0 HB THR A 45 10.909 -9.575 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.994 -8.876 -2.571 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.411 -11.191 -1.136 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.735 -11.786 -1.058 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.380 -11.139 -2.585 1.00 0.00 H new ATOM 716 N LEU A 46 8.686 -7.906 0.192 1.00 0.00 N ATOM 717 CA LEU A 46 8.214 -6.680 0.830 1.00 0.00 C ATOM 718 C LEU A 46 9.066 -5.478 0.417 1.00 0.00 C ATOM 719 O LEU A 46 8.539 -4.429 0.068 1.00 0.00 O ATOM 720 CB LEU A 46 8.268 -6.858 2.356 1.00 0.00 C ATOM 721 CG LEU A 46 7.828 -5.617 3.156 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.328 -5.339 3.000 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.167 -5.840 4.634 1.00 0.00 C ATOM 0 H LEU A 46 8.763 -8.691 0.839 1.00 0.00 H new ATOM 0 HA LEU A 46 7.190 -6.490 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.633 -7.699 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.287 -7.119 2.644 1.00 0.00 H new ATOM 0 HG LEU A 46 8.360 -4.748 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.059 -4.456 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.097 -5.167 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.760 -6.196 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.861 -4.969 5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.640 -6.722 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.241 -5.988 4.742 1.00 0.00 H new ATOM 735 N ASP A 47 10.387 -5.644 0.468 1.00 0.00 N ATOM 736 CA ASP A 47 11.372 -4.630 0.163 1.00 0.00 C ATOM 737 C ASP A 47 11.270 -4.241 -1.301 1.00 0.00 C ATOM 738 O ASP A 47 11.090 -3.071 -1.597 1.00 0.00 O ATOM 739 CB ASP A 47 12.776 -5.134 0.518 1.00 0.00 C ATOM 740 CG ASP A 47 12.884 -5.456 2.003 1.00 0.00 C ATOM 741 OD1 ASP A 47 12.494 -6.588 2.361 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.320 -4.556 2.753 1.00 0.00 O ATOM 0 H ASP A 47 10.810 -6.533 0.736 1.00 0.00 H new ATOM 0 HA ASP A 47 11.180 -3.741 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.005 -6.024 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.515 -4.378 0.252 1.00 0.00 H new ATOM 747 N GLU A 48 11.370 -5.205 -2.217 1.00 0.00 N ATOM 748 CA GLU A 48 11.277 -4.934 -3.648 1.00 0.00 C ATOM 749 C GLU A 48 9.963 -4.212 -3.963 1.00 0.00 C ATOM 750 O GLU A 48 9.940 -3.211 -4.672 1.00 0.00 O ATOM 751 CB GLU A 48 11.349 -6.253 -4.423 1.00 0.00 C ATOM 752 CG GLU A 48 12.725 -6.918 -4.304 1.00 0.00 C ATOM 753 CD GLU A 48 12.696 -8.319 -4.906 1.00 0.00 C ATOM 754 OE1 GLU A 48 11.964 -9.154 -4.328 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.390 -8.526 -5.924 1.00 0.00 O ATOM 0 H GLU A 48 11.517 -6.188 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 48 12.107 -4.294 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.584 -6.934 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.126 -6.068 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.473 -6.312 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.020 -6.972 -3.256 1.00 0.00 H new ATOM 762 N LEU A 49 8.867 -4.737 -3.423 1.00 0.00 N ATOM 763 CA LEU A 49 7.527 -4.218 -3.607 1.00 0.00 C ATOM 764 C LEU A 49 7.443 -2.774 -3.118 1.00 0.00 C ATOM 765 O LEU A 49 7.149 -1.869 -3.894 1.00 0.00 O ATOM 766 CB LEU A 49 6.548 -5.163 -2.895 1.00 0.00 C ATOM 767 CG LEU A 49 5.111 -4.642 -2.855 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.571 -4.372 -4.266 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.212 -5.663 -2.148 1.00 0.00 C ATOM 0 H LEU A 49 8.895 -5.564 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 49 7.258 -4.186 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.561 -6.130 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.894 -5.329 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 49 5.109 -3.700 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.548 -4.003 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.195 -3.625 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.587 -5.296 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.188 -5.289 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.239 -6.608 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.569 -5.818 -1.130 1.00 0.00 H new ATOM 781 N PHE A 50 7.714 -2.547 -1.833 1.00 0.00 N ATOM 782 CA PHE A 50 7.712 -1.232 -1.235 1.00 0.00 C ATOM 783 C PHE A 50 8.682 -0.340 -2.001 1.00 0.00 C ATOM 784 O PHE A 50 8.403 0.836 -2.147 1.00 0.00 O ATOM 785 CB PHE A 50 8.128 -1.369 0.233 1.00 0.00 C ATOM 786 CG PHE A 50 8.587 -0.076 0.857 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.930 0.293 0.700 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.675 0.812 1.447 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.396 1.503 1.235 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.138 2.029 1.977 1.00 0.00 C ATOM 791 CZ PHE A 50 9.508 2.341 1.930 1.00 0.00 C ATOM 0 H PHE A 50 7.944 -3.292 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 50 6.721 -0.780 -1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.286 -1.759 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.931 -2.103 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.608 -0.356 0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.625 0.563 1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.430 1.789 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.441 2.725 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.878 3.225 2.428 1.00 0.00 H new ATOM 801 N GLU A 51 9.810 -0.863 -2.489 1.00 0.00 N ATOM 802 CA GLU A 51 10.748 -0.027 -3.237 1.00 0.00 C ATOM 803 C GLU A 51 10.148 0.397 -4.576 1.00 0.00 C ATOM 804 O GLU A 51 10.286 1.554 -4.957 1.00 0.00 O ATOM 805 CB GLU A 51 12.112 -0.708 -3.423 1.00 0.00 C ATOM 806 CG GLU A 51 12.984 -0.621 -2.163 1.00 0.00 C ATOM 807 CD GLU A 51 13.435 0.809 -1.874 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.225 1.331 -2.689 1.00 0.00 O ATOM 809 OE2 GLU A 51 12.979 1.355 -0.846 1.00 0.00 O ATOM 0 H GLU A 51 10.090 -1.838 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 51 10.926 0.871 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.960 -1.755 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.637 -0.243 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.425 -1.004 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.859 -1.259 -2.284 1.00 0.00 H new ATOM 816 N GLU A 52 9.471 -0.509 -5.286 1.00 0.00 N ATOM 817 CA GLU A 52 8.822 -0.169 -6.547 1.00 0.00 C ATOM 818 C GLU A 52 7.812 0.938 -6.253 1.00 0.00 C ATOM 819 O GLU A 52 7.730 1.953 -6.937 1.00 0.00 O ATOM 820 CB GLU A 52 8.122 -1.417 -7.111 1.00 0.00 C ATOM 821 CG GLU A 52 7.088 -1.088 -8.199 1.00 0.00 C ATOM 822 CD GLU A 52 6.423 -2.357 -8.720 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.511 -2.846 -8.019 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.844 -2.820 -9.802 1.00 0.00 O ATOM 0 H GLU A 52 9.360 -1.483 -5.006 1.00 0.00 H new ATOM 0 HA GLU A 52 9.543 0.174 -7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.872 -2.092 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.628 -1.948 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.331 -0.416 -7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.574 -0.564 -9.022 1.00 0.00 H new ATOM 831 N LEU A 53 7.029 0.693 -5.210 1.00 0.00 N ATOM 832 CA LEU A 53 5.984 1.568 -4.732 1.00 0.00 C ATOM 833 C LEU A 53 6.523 2.922 -4.252 1.00 0.00 C ATOM 834 O LEU A 53 5.917 3.956 -4.515 1.00 0.00 O ATOM 835 CB LEU A 53 5.265 0.814 -3.608 1.00 0.00 C ATOM 836 CG LEU A 53 4.210 -0.167 -4.137 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.821 -1.100 -2.991 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.963 0.561 -4.653 1.00 0.00 C ATOM 0 H LEU A 53 7.114 -0.159 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 53 5.298 1.812 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.998 0.268 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.787 1.532 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 53 4.630 -0.723 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.071 -1.810 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.702 -1.642 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.412 -0.514 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.241 -0.169 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.517 1.138 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.243 1.232 -5.465 1.00 0.00 H new ATOM 850 N ASP A 54 7.649 2.950 -3.540 1.00 0.00 N ATOM 851 CA ASP A 54 8.223 4.175 -3.015 1.00 0.00 C ATOM 852 C ASP A 54 8.907 4.882 -4.176 1.00 0.00 C ATOM 853 O ASP A 54 10.102 4.723 -4.386 1.00 0.00 O ATOM 854 CB ASP A 54 9.185 3.898 -1.842 1.00 0.00 C ATOM 855 CG ASP A 54 9.746 5.191 -1.227 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.626 6.255 -1.875 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.335 5.103 -0.125 1.00 0.00 O ATOM 0 H ASP A 54 8.188 2.114 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 54 7.446 4.816 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.662 3.330 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.010 3.277 -2.191 1.00 0.00 H new ATOM 862 N LYS A 55 8.131 5.673 -4.915 1.00 0.00 N ATOM 863 CA LYS A 55 8.553 6.481 -6.050 1.00 0.00 C ATOM 864 C LYS A 55 9.943 7.114 -5.877 1.00 0.00 C ATOM 865 O LYS A 55 10.698 7.192 -6.842 1.00 0.00 O ATOM 866 CB LYS A 55 7.472 7.545 -6.273 1.00 0.00 C ATOM 867 CG LYS A 55 7.712 8.410 -7.518 1.00 0.00 C ATOM 868 CD LYS A 55 6.472 9.248 -7.858 1.00 0.00 C ATOM 869 CE LYS A 55 6.118 10.252 -6.753 1.00 0.00 C ATOM 870 NZ LYS A 55 4.961 11.079 -7.136 1.00 0.00 N ATOM 0 H LYS A 55 7.134 5.770 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 55 8.659 5.837 -6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.503 7.054 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.422 8.190 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.564 9.068 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.966 7.772 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.646 9.785 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.624 8.584 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.896 9.717 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.976 10.893 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.744 11.749 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.183 11.606 -8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.137 10.467 -7.304 1.00 0.00 H new ATOM 884 N ASN A 56 10.280 7.578 -4.668 1.00 0.00 N ATOM 885 CA ASN A 56 11.562 8.220 -4.376 1.00 0.00 C ATOM 886 C ASN A 56 12.563 7.287 -3.679 1.00 0.00 C ATOM 887 O ASN A 56 13.731 7.640 -3.565 1.00 0.00 O ATOM 888 CB ASN A 56 11.303 9.487 -3.551 1.00 0.00 C ATOM 889 CG ASN A 56 12.572 10.304 -3.310 1.00 0.00 C ATOM 890 OD1 ASN A 56 12.972 10.543 -2.180 1.00 0.00 O ATOM 891 ND2 ASN A 56 13.231 10.768 -4.361 1.00 0.00 N ATOM 0 H ASN A 56 9.663 7.517 -3.858 1.00 0.00 H new ATOM 0 HA ASN A 56 12.032 8.484 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.569 10.107 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.868 9.208 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.074 11.326 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.895 10.567 -5.303 1.00 0.00 H new ATOM 898 N GLY A 57 12.130 6.108 -3.219 1.00 0.00 N ATOM 899 CA GLY A 57 12.956 5.127 -2.523 1.00 0.00 C ATOM 900 C GLY A 57 13.686 5.792 -1.364 1.00 0.00 C ATOM 901 O GLY A 57 14.913 5.856 -1.368 1.00 0.00 O ATOM 0 H GLY A 57 11.162 5.805 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.334 4.312 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.676 4.689 -3.214 1.00 0.00 H new ATOM 905 N ASP A 58 12.941 6.307 -0.378 1.00 0.00 N ATOM 906 CA ASP A 58 13.546 7.061 0.715 1.00 0.00 C ATOM 907 C ASP A 58 12.833 6.912 2.053 1.00 0.00 C ATOM 908 O ASP A 58 13.459 7.127 3.086 1.00 0.00 O ATOM 909 CB ASP A 58 13.588 8.548 0.331 1.00 0.00 C ATOM 910 CG ASP A 58 12.216 9.217 0.424 1.00 0.00 C ATOM 911 OD1 ASP A 58 11.248 8.624 -0.103 1.00 0.00 O ATOM 912 OD2 ASP A 58 12.149 10.296 1.052 1.00 0.00 O ATOM 0 H ASP A 58 11.927 6.214 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 58 14.545 6.648 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.287 9.069 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.968 8.647 -0.686 1.00 0.00 H new ATOM 917 N GLY A 59 11.543 6.575 2.069 1.00 0.00 N ATOM 918 CA GLY A 59 10.846 6.498 3.337 1.00 0.00 C ATOM 919 C GLY A 59 9.454 5.906 3.218 1.00 0.00 C ATOM 920 O GLY A 59 9.147 4.967 3.954 1.00 0.00 O ATOM 0 H GLY A 59 10.982 6.359 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.432 5.895 4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.773 7.497 3.766 1.00 0.00 H new ATOM 924 N GLU A 60 8.596 6.431 2.331 1.00 0.00 N ATOM 925 CA GLU A 60 7.245 5.915 2.229 1.00 0.00 C ATOM 926 C GLU A 60 6.691 5.875 0.803 1.00 0.00 C ATOM 927 O GLU A 60 7.247 6.444 -0.131 1.00 0.00 O ATOM 928 CB GLU A 60 6.318 6.806 3.057 1.00 0.00 C ATOM 929 CG GLU A 60 6.736 7.207 4.483 1.00 0.00 C ATOM 930 CD GLU A 60 7.421 8.570 4.525 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.696 9.576 4.348 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.651 8.586 4.739 1.00 0.00 O ATOM 0 H GLU A 60 8.817 7.195 1.692 1.00 0.00 H new ATOM 0 HA GLU A 60 7.286 4.887 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.156 7.724 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.355 6.301 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.856 7.226 5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.410 6.452 4.887 1.00 0.00 H new ATOM 939 N VAL A 61 5.540 5.216 0.699 1.00 0.00 N ATOM 940 CA VAL A 61 4.664 5.046 -0.447 1.00 0.00 C ATOM 941 C VAL A 61 3.538 6.065 -0.205 1.00 0.00 C ATOM 942 O VAL A 61 3.548 6.756 0.808 1.00 0.00 O ATOM 943 CB VAL A 61 4.153 3.582 -0.442 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.204 3.228 -1.595 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.347 2.618 -0.464 1.00 0.00 C ATOM 0 H VAL A 61 5.159 4.734 1.513 1.00 0.00 H new ATOM 0 HA VAL A 61 5.132 5.214 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 61 3.570 3.480 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.899 2.185 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.323 3.868 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.715 3.379 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.985 1.590 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.938 2.791 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.967 2.787 0.416 1.00 0.00 H new ATOM 955 N SER A 62 2.546 6.174 -1.082 1.00 0.00 N ATOM 956 CA SER A 62 1.393 7.054 -0.926 1.00 0.00 C ATOM 957 C SER A 62 0.284 6.495 -1.812 1.00 0.00 C ATOM 958 O SER A 62 0.556 5.600 -2.612 1.00 0.00 O ATOM 959 CB SER A 62 1.719 8.508 -1.281 1.00 0.00 C ATOM 960 OG SER A 62 1.957 8.631 -2.666 1.00 0.00 O ATOM 0 H SER A 62 2.521 5.636 -1.948 1.00 0.00 H new ATOM 0 HA SER A 62 1.079 7.077 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.892 9.155 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.596 8.838 -0.723 1.00 0.00 H new ATOM 0 HG SER A 62 2.906 8.468 -2.851 1.00 0.00 H new ATOM 966 N PHE A 63 -0.950 6.994 -1.694 1.00 0.00 N ATOM 967 CA PHE A 63 -2.048 6.503 -2.521 1.00 0.00 C ATOM 968 C PHE A 63 -1.684 6.558 -4.007 1.00 0.00 C ATOM 969 O PHE A 63 -2.000 5.634 -4.753 1.00 0.00 O ATOM 970 CB PHE A 63 -3.357 7.220 -2.200 1.00 0.00 C ATOM 971 CG PHE A 63 -4.541 6.752 -3.027 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.266 5.622 -2.607 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.806 7.313 -4.293 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.360 5.164 -3.363 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.834 6.782 -5.096 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.686 5.790 -4.576 1.00 0.00 C ATOM 0 H PHE A 63 -1.209 7.731 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.213 5.453 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.587 7.078 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.220 8.290 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.982 5.105 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.221 8.149 -4.647 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.949 4.331 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.968 7.135 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.585 5.512 -5.107 1.00 0.00 H new ATOM 986 N GLU A 64 -1.005 7.633 -4.418 1.00 0.00 N ATOM 987 CA GLU A 64 -0.555 7.867 -5.783 1.00 0.00 C ATOM 988 C GLU A 64 0.077 6.599 -6.368 1.00 0.00 C ATOM 989 O GLU A 64 -0.410 6.010 -7.328 1.00 0.00 O ATOM 990 CB GLU A 64 0.462 9.030 -5.762 1.00 0.00 C ATOM 991 CG GLU A 64 0.770 9.559 -7.169 1.00 0.00 C ATOM 992 CD GLU A 64 -0.453 10.193 -7.825 1.00 0.00 C ATOM 993 OE1 GLU A 64 -0.870 11.262 -7.330 1.00 0.00 O ATOM 994 OE2 GLU A 64 -0.954 9.591 -8.799 1.00 0.00 O ATOM 0 H GLU A 64 -0.747 8.388 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.402 8.129 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.070 9.841 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.386 8.693 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.572 10.295 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.132 8.741 -7.792 1.00 0.00 H new ATOM 1001 N GLU A 65 1.182 6.190 -5.753 1.00 0.00 N ATOM 1002 CA GLU A 65 1.960 5.027 -6.146 1.00 0.00 C ATOM 1003 C GLU A 65 1.156 3.763 -5.856 1.00 0.00 C ATOM 1004 O GLU A 65 1.170 2.828 -6.648 1.00 0.00 O ATOM 1005 CB GLU A 65 3.300 4.947 -5.396 1.00 0.00 C ATOM 1006 CG GLU A 65 3.536 6.018 -4.323 1.00 0.00 C ATOM 1007 CD GLU A 65 3.985 7.377 -4.848 1.00 0.00 C ATOM 1008 OE1 GLU A 65 3.924 7.590 -6.077 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.342 8.203 -3.979 1.00 0.00 O ATOM 0 H GLU A 65 1.570 6.675 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 65 2.174 5.117 -7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.372 3.967 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.107 5.009 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.614 6.152 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.288 5.650 -3.625 1.00 0.00 H new ATOM 1016 N PHE A 66 0.466 3.733 -4.711 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.361 2.602 -4.290 1.00 0.00 C ATOM 1018 C PHE A 66 -1.276 2.083 -5.406 1.00 0.00 C ATOM 1019 O PHE A 66 -1.614 0.901 -5.409 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.166 2.966 -3.041 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.888 1.811 -2.387 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.217 0.996 -1.459 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.234 1.555 -2.702 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.897 -0.059 -0.832 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.885 0.442 -2.143 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.228 -0.344 -1.182 1.00 0.00 C ATOM 0 H PHE A 66 0.468 4.504 -4.044 1.00 0.00 H new ATOM 0 HA PHE A 66 0.317 1.784 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.492 3.414 -2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.898 3.728 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.178 1.182 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.767 2.213 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.398 -0.652 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.889 0.191 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.746 -1.167 -0.712 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.678 2.917 -6.372 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.503 2.441 -7.480 1.00 0.00 C ATOM 1038 C GLN A 67 -1.821 1.289 -8.237 1.00 0.00 C ATOM 1039 O GLN A 67 -2.492 0.412 -8.778 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.022 3.593 -8.356 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.645 4.721 -7.531 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.646 4.165 -6.531 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.762 3.800 -6.875 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.258 4.084 -5.273 1.00 0.00 N ATOM 0 H GLN A 67 -1.448 3.910 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.411 2.000 -7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.200 3.993 -8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.763 3.207 -9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.863 5.268 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.141 5.431 -8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.323 4.394 -5.007 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.893 3.712 -4.567 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.486 1.243 -8.241 1.00 0.00 N ATOM 1054 CA VAL A 68 0.259 0.136 -8.824 1.00 0.00 C ATOM 1055 C VAL A 68 -0.113 -1.137 -8.050 1.00 0.00 C ATOM 1056 O VAL A 68 -0.258 -2.209 -8.634 1.00 0.00 O ATOM 1057 CB VAL A 68 1.772 0.421 -8.785 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.583 -0.768 -9.318 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.112 1.657 -9.629 1.00 0.00 C ATOM 0 H VAL A 68 0.103 1.973 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 68 0.001 0.005 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 68 2.035 0.596 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.646 -0.531 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.382 -1.648 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.297 -0.970 -10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.186 1.841 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.812 1.485 -10.663 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.580 2.523 -9.236 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.304 -1.035 -6.732 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.712 -2.179 -5.941 1.00 0.00 C ATOM 1071 C LEU A 69 -2.171 -2.494 -6.254 1.00 0.00 C ATOM 1072 O LEU A 69 -2.502 -3.660 -6.447 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.498 -1.983 -4.441 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.744 -3.339 -3.754 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.530 -3.826 -3.075 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.948 -3.283 -2.821 1.00 0.00 C ATOM 0 H LEU A 69 -0.181 -0.173 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.078 -3.022 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.514 -1.631 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.181 -1.227 -4.052 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.999 -4.080 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.342 -4.786 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.318 -3.942 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.844 -3.099 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.092 -4.257 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.776 -2.532 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.839 -3.019 -3.392 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.035 -1.471 -6.321 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.438 -1.665 -6.693 1.00 0.00 C ATOM 1090 C VAL A 70 -4.483 -2.504 -7.974 1.00 0.00 C ATOM 1091 O VAL A 70 -5.305 -3.401 -8.108 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.188 -0.331 -6.859 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.626 -0.563 -7.342 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.221 0.436 -5.533 1.00 0.00 C ATOM 0 H VAL A 70 -2.784 -0.503 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.953 -2.191 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.653 0.256 -7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.133 0.396 -7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.609 -1.075 -8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.160 -1.175 -6.615 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.755 1.376 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.730 -0.164 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.202 0.642 -5.206 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.579 -2.228 -8.913 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.459 -3.013 -10.118 1.00 0.00 C ATOM 1106 C LYS A 71 -2.893 -4.412 -9.820 1.00 0.00 C ATOM 1107 O LYS A 71 -3.421 -5.396 -10.342 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.577 -2.232 -11.093 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.460 -2.911 -12.459 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.659 -2.017 -13.414 1.00 0.00 C ATOM 1111 CE LYS A 71 -0.201 -1.782 -12.992 1.00 0.00 C ATOM 1112 NZ LYS A 71 0.513 -3.040 -12.712 1.00 0.00 N ATOM 0 H LYS A 71 -2.917 -1.455 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.440 -3.178 -10.563 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.986 -1.230 -11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.582 -2.116 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.969 -3.879 -12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.452 -3.099 -12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.669 -2.467 -14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.161 -1.053 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.320 -1.240 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.180 -1.150 -12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.520 -2.838 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.107 -3.489 -11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.417 -3.682 -13.524 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.826 -4.548 -9.014 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.191 -5.827 -8.807 1.00 0.00 C ATOM 1128 C LYS A 72 -1.997 -6.817 -7.987 1.00 0.00 C ATOM 1129 O LYS A 72 -1.798 -8.018 -8.128 1.00 0.00 O ATOM 1130 CB LYS A 72 0.229 -5.629 -8.293 1.00 0.00 C ATOM 1131 CG LYS A 72 0.423 -5.653 -6.770 1.00 0.00 C ATOM 1132 CD LYS A 72 0.769 -7.054 -6.239 1.00 0.00 C ATOM 1133 CE LYS A 72 0.955 -7.008 -4.721 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.186 -8.353 -4.172 1.00 0.00 N ATOM 0 H LYS A 72 -1.397 -3.777 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.139 -6.310 -9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.859 -6.405 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.596 -4.673 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.218 -4.959 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.488 -5.300 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.025 -7.755 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.680 -7.417 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.798 -6.362 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.071 -6.570 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.960 -8.317 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.320 -8.691 -3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.441 -9.003 -4.942 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.915 -6.373 -7.136 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.740 -7.333 -6.403 1.00 0.00 C ATOM 1150 C ILE A 73 -4.532 -8.178 -7.418 1.00 0.00 C ATOM 1151 O ILE A 73 -4.801 -9.355 -7.184 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.649 -6.636 -5.384 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.418 -5.483 -6.029 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.822 -6.112 -4.200 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.766 -5.248 -5.366 1.00 0.00 C ATOM 0 H ILE A 73 -3.105 -5.391 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.100 -7.995 -5.819 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.369 -7.370 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.822 -4.572 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.568 -5.696 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.481 -5.620 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.316 -6.945 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.081 -5.399 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.274 -4.419 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.375 -6.148 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.617 -5.007 -4.313 1.00 0.00 H new ATOM 1167 N SER A 74 -4.866 -7.578 -8.565 1.00 0.00 N ATOM 1168 CA SER A 74 -5.545 -8.189 -9.695 1.00 0.00 C ATOM 1169 C SER A 74 -4.540 -8.536 -10.806 1.00 0.00 C ATOM 1170 O SER A 74 -4.928 -8.662 -11.963 1.00 0.00 O ATOM 1171 CB SER A 74 -6.605 -7.194 -10.186 1.00 0.00 C ATOM 1172 OG SER A 74 -6.107 -5.868 -10.137 1.00 0.00 O ATOM 0 H SER A 74 -4.654 -6.594 -8.732 1.00 0.00 H new ATOM 0 HA SER A 74 -6.022 -9.124 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.898 -7.441 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.500 -7.275 -9.569 1.00 0.00 H new ATOM 0 HG SER A 74 -5.158 -5.866 -10.381 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.250 -8.688 -10.478 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.193 -9.009 -11.442 1.00 0.00 C ATOM 1180 C GLN A 75 -2.616 -10.112 -12.421 1.00 0.00 C ATOM 1181 O GLN A 75 -1.784 -10.646 -13.152 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.858 -9.344 -10.739 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.798 -10.713 -10.027 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.107 -11.174 -9.385 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.780 -12.062 -9.889 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.505 -10.572 -8.279 1.00 0.00 N ATOM 0 H GLN A 75 -2.908 -8.590 -9.522 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.026 -8.111 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.059 -9.306 -11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.650 -8.565 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.482 -11.466 -10.749 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.030 -10.669 -9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.935 -9.833 -7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.382 -10.846 -7.836 1.00 0.00 H new TER 1195 GLN A 75