USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 8 TYR OH : rot 130:sc= 0.726 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -163:sc= 0.805 (180deg=0) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0.14 USER MOD Set 2.2: A 61 GLN : amide:sc= 0.255 X(o=0.4,f=0.52) USER MOD Set 3.1: A 24 GLN : amide:sc= 0.0435 X(o=1.3,f=1.1) USER MOD Set 3.2: A 28 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 48:sc= 0.496 USER MOD Single : A 15 LYS NZ :NH3+ -119:sc= 1.31 (180deg=0.0305) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.72 K(o=0.72,f=-0.0059) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.21) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.059) USER MOD Single : A 49 SER OG : rot 83:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.0826 (180deg=-0.0826) USER MOD Single : A 52 SER OG : rot 75:sc= 0.466 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 SER OG : rot -38:sc= 0.213 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -75:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -16.704 7.006 -0.717 1.00 10.00 N ATOM 59 CA TRP A 5 -15.466 7.795 -0.665 1.00 10.00 C ATOM 60 C TRP A 5 -14.185 6.955 -0.647 1.00 10.00 C ATOM 61 O TRP A 5 -13.382 7.050 -1.567 1.00 10.00 O ATOM 62 CB TRP A 5 -15.489 8.681 0.598 1.00 10.00 C ATOM 63 CG TRP A 5 -16.518 9.769 0.664 1.00 10.00 C ATOM 64 CD1 TRP A 5 -16.436 10.971 0.049 1.00 10.00 C ATOM 65 CD2 TRP A 5 -17.791 9.776 1.384 1.00 10.00 C ATOM 66 NE1 TRP A 5 -17.566 11.716 0.330 1.00 10.00 N ATOM 67 CE2 TRP A 5 -18.440 11.025 1.143 1.00 10.00 C ATOM 68 CE3 TRP A 5 -18.467 8.853 2.214 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -19.693 11.341 1.692 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -19.727 9.159 2.767 1.00 10.00 C ATOM 71 CH2 TRP A 5 -20.341 10.397 2.507 1.00 10.00 C ATOM 0 HA TRP A 5 -15.441 8.384 -1.582 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -15.631 8.031 1.462 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -14.506 9.141 0.704 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -15.613 11.299 -0.568 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -17.733 12.659 -0.020 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -18.011 7.898 2.428 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -20.153 12.297 1.491 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -20.225 8.436 3.396 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -21.308 10.622 2.932 1.00 10.00 H new ATOM 82 N SER A 6 -13.994 6.119 0.371 1.00 10.00 N ATOM 83 CA SER A 6 -12.738 5.412 0.696 1.00 10.00 C ATOM 84 C SER A 6 -12.010 4.634 -0.418 1.00 10.00 C ATOM 85 O SER A 6 -10.797 4.439 -0.313 1.00 10.00 O ATOM 86 CB SER A 6 -12.995 4.468 1.874 1.00 10.00 C ATOM 87 OG SER A 6 -13.588 5.171 2.959 1.00 10.00 O ATOM 0 H SER A 6 -14.742 5.899 1.029 1.00 10.00 H new ATOM 0 HA SER A 6 -12.047 6.226 0.916 1.00 10.00 H new ATOM 0 HB2 SER A 6 -13.649 3.655 1.559 1.00 10.00 H new ATOM 0 HB3 SER A 6 -12.057 4.016 2.196 1.00 10.00 H new ATOM 0 HG SER A 6 -13.747 4.552 3.702 1.00 10.00 H new ATOM 93 N GLY A 7 -12.690 4.218 -1.493 1.00 10.00 N ATOM 94 CA GLY A 7 -12.073 3.538 -2.650 1.00 10.00 C ATOM 95 C GLY A 7 -11.576 4.478 -3.763 1.00 10.00 C ATOM 96 O GLY A 7 -11.069 4.005 -4.783 1.00 10.00 O ATOM 0 H GLY A 7 -13.698 4.343 -1.590 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -11.233 2.941 -2.296 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -12.799 2.846 -3.076 1.00 10.00 H new ATOM 100 N TYR A 8 -11.715 5.794 -3.574 1.00 10.00 N ATOM 101 CA TYR A 8 -11.447 6.853 -4.546 1.00 10.00 C ATOM 102 C TYR A 8 -10.833 8.119 -3.923 1.00 10.00 C ATOM 103 O TYR A 8 -9.925 8.729 -4.495 1.00 10.00 O ATOM 104 CB TYR A 8 -12.778 7.213 -5.244 1.00 10.00 C ATOM 105 CG TYR A 8 -12.995 6.546 -6.592 1.00 10.00 C ATOM 106 CD1 TYR A 8 -12.093 6.790 -7.647 1.00 10.00 C ATOM 107 CD2 TYR A 8 -14.108 5.706 -6.801 1.00 10.00 C ATOM 108 CE1 TYR A 8 -12.293 6.187 -8.905 1.00 10.00 C ATOM 109 CE2 TYR A 8 -14.319 5.114 -8.063 1.00 10.00 C ATOM 110 CZ TYR A 8 -13.412 5.353 -9.117 1.00 10.00 C ATOM 111 OH TYR A 8 -13.627 4.791 -10.340 1.00 10.00 O ATOM 0 H TYR A 8 -12.038 6.169 -2.682 1.00 10.00 H new ATOM 0 HA TYR A 8 -10.709 6.474 -5.253 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.602 6.942 -4.584 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -12.820 8.294 -5.379 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -11.246 7.441 -7.491 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -14.800 5.516 -5.994 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -11.591 6.363 -9.706 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -15.176 4.477 -8.223 1.00 10.00 H new ATOM 0 HH TYR A 8 -13.784 3.829 -10.235 1.00 10.00 H new ATOM 121 N LEU A 9 -11.319 8.507 -2.741 1.00 10.00 N ATOM 122 CA LEU A 9 -11.045 9.778 -2.072 1.00 10.00 C ATOM 123 C LEU A 9 -9.559 10.089 -1.904 1.00 10.00 C ATOM 124 O LEU A 9 -9.150 11.215 -2.157 1.00 10.00 O ATOM 125 CB LEU A 9 -11.812 9.802 -0.737 1.00 10.00 C ATOM 126 CG LEU A 9 -11.884 11.141 0.025 1.00 10.00 C ATOM 127 CD1 LEU A 9 -10.588 11.532 0.749 1.00 10.00 C ATOM 128 CD2 LEU A 9 -12.410 12.275 -0.857 1.00 10.00 C ATOM 0 H LEU A 9 -11.946 7.912 -2.199 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.401 10.583 -2.715 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.832 9.471 -0.931 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.358 9.064 -0.076 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.610 10.971 0.820 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -10.729 12.486 1.258 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -10.334 10.765 1.480 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -9.779 11.624 0.024 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -12.444 13.199 -0.280 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -11.749 12.406 -1.714 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.412 12.029 -1.207 1.00 10.00 H new ATOM 140 N ASP A 10 -8.745 9.109 -1.518 1.00 10.00 N ATOM 141 CA ASP A 10 -7.330 9.329 -1.177 1.00 10.00 C ATOM 142 C ASP A 10 -6.499 9.972 -2.311 1.00 10.00 C ATOM 143 O ASP A 10 -5.533 10.686 -2.036 1.00 10.00 O ATOM 144 CB ASP A 10 -6.723 7.995 -0.724 1.00 10.00 C ATOM 145 CG ASP A 10 -5.296 8.158 -0.171 1.00 10.00 C ATOM 146 OD1 ASP A 10 -5.138 8.723 0.940 1.00 10.00 O ATOM 147 OD2 ASP A 10 -4.333 7.688 -0.823 1.00 10.00 O ATOM 0 H ASP A 10 -9.042 8.137 -1.431 1.00 10.00 H new ATOM 0 HA ASP A 10 -7.296 10.058 -0.367 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -7.358 7.551 0.043 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -6.707 7.302 -1.565 1.00 10.00 H new ATOM 152 N ASP A 11 -6.908 9.790 -3.572 1.00 10.00 N ATOM 153 CA ASP A 11 -6.354 10.510 -4.729 1.00 10.00 C ATOM 154 C ASP A 11 -7.198 11.711 -5.144 1.00 10.00 C ATOM 155 O ASP A 11 -6.662 12.786 -5.402 1.00 10.00 O ATOM 156 CB ASP A 11 -6.162 9.530 -5.894 1.00 10.00 C ATOM 157 CG ASP A 11 -5.504 10.206 -7.109 1.00 10.00 C ATOM 158 OD1 ASP A 11 -4.269 10.428 -7.082 1.00 10.00 O ATOM 159 OD2 ASP A 11 -6.214 10.494 -8.102 1.00 10.00 O ATOM 0 H ASP A 11 -7.644 9.129 -3.823 1.00 10.00 H new ATOM 0 HA ASP A 11 -5.387 10.919 -4.435 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -5.546 8.693 -5.566 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -7.128 9.119 -6.186 1.00 10.00 H new ATOM 164 N VAL A 12 -8.518 11.559 -5.141 1.00 10.00 N ATOM 165 CA VAL A 12 -9.487 12.568 -5.561 1.00 10.00 C ATOM 166 C VAL A 12 -9.388 13.840 -4.732 1.00 10.00 C ATOM 167 O VAL A 12 -9.315 14.938 -5.280 1.00 10.00 O ATOM 168 CB VAL A 12 -10.884 11.935 -5.463 1.00 10.00 C ATOM 169 CG1 VAL A 12 -12.024 12.948 -5.452 1.00 10.00 C ATOM 170 CG2 VAL A 12 -11.010 10.945 -6.625 1.00 10.00 C ATOM 0 H VAL A 12 -8.962 10.694 -4.833 1.00 10.00 H new ATOM 0 HA VAL A 12 -9.280 12.873 -6.587 1.00 10.00 H new ATOM 0 HB VAL A 12 -10.977 11.429 -4.502 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -12.977 12.423 -5.381 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -11.912 13.613 -4.596 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -12.000 13.533 -6.371 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -11.991 10.470 -6.594 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -10.894 11.476 -7.570 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -10.235 10.183 -6.539 1.00 10.00 H new ATOM 180 N SER A 13 -9.336 13.681 -3.414 1.00 10.00 N ATOM 181 CA SER A 13 -9.177 14.762 -2.454 1.00 10.00 C ATOM 182 C SER A 13 -7.841 15.452 -2.602 1.00 10.00 C ATOM 183 O SER A 13 -7.755 16.676 -2.693 1.00 10.00 O ATOM 184 CB SER A 13 -9.331 14.232 -1.033 1.00 10.00 C ATOM 185 OG SER A 13 -9.075 15.226 -0.055 1.00 10.00 O ATOM 0 H SER A 13 -9.406 12.764 -2.972 1.00 10.00 H new ATOM 0 HA SER A 13 -9.957 15.496 -2.656 1.00 10.00 H new ATOM 0 HB2 SER A 13 -10.342 13.846 -0.899 1.00 10.00 H new ATOM 0 HB3 SER A 13 -8.648 13.395 -0.884 1.00 10.00 H new ATOM 0 HG SER A 13 -9.561 16.045 -0.286 1.00 10.00 H new ATOM 191 N ALA A 14 -6.772 14.669 -2.688 1.00 10.00 N ATOM 192 CA ALA A 14 -5.461 15.268 -2.738 1.00 10.00 C ATOM 193 C ALA A 14 -5.209 16.023 -4.064 1.00 10.00 C ATOM 194 O ALA A 14 -4.541 17.058 -4.090 1.00 10.00 O ATOM 195 CB ALA A 14 -4.415 14.221 -2.450 1.00 10.00 C ATOM 0 H ALA A 14 -6.791 13.650 -2.723 1.00 10.00 H new ATOM 0 HA ALA A 14 -5.397 16.031 -1.962 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -3.425 14.676 -2.488 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -4.584 13.801 -1.458 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -4.479 13.428 -3.195 1.00 10.00 H new ATOM 201 N LYS A 15 -5.799 15.527 -5.162 1.00 10.00 N ATOM 202 CA LYS A 15 -5.888 16.168 -6.476 1.00 10.00 C ATOM 203 C LYS A 15 -6.751 17.434 -6.448 1.00 10.00 C ATOM 204 O LYS A 15 -6.383 18.444 -7.050 1.00 10.00 O ATOM 205 CB LYS A 15 -6.408 15.115 -7.468 1.00 10.00 C ATOM 206 CG LYS A 15 -6.399 15.570 -8.930 1.00 10.00 C ATOM 207 CD LYS A 15 -6.641 14.357 -9.842 1.00 10.00 C ATOM 208 CE LYS A 15 -6.506 14.763 -11.311 1.00 10.00 C ATOM 209 NZ LYS A 15 -6.521 13.573 -12.203 1.00 10.00 N ATOM 0 H LYS A 15 -6.253 14.613 -5.152 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.904 16.515 -6.792 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -5.801 14.215 -7.376 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -7.426 14.843 -7.190 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -7.171 16.322 -9.093 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -5.444 16.036 -9.172 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.925 13.569 -9.608 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -7.635 13.949 -9.660 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -7.321 15.434 -11.582 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -5.578 15.316 -11.454 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -5.624 13.521 -12.727 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -6.638 12.712 -11.631 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -7.311 13.653 -12.875 1.00 10.00 H new ATOM 223 N PHE A 16 -7.867 17.401 -5.714 1.00 10.00 N ATOM 224 CA PHE A 16 -8.772 18.532 -5.527 1.00 10.00 C ATOM 225 C PHE A 16 -8.276 19.628 -4.593 1.00 10.00 C ATOM 226 O PHE A 16 -8.763 20.746 -4.667 1.00 10.00 O ATOM 227 CB PHE A 16 -10.201 18.068 -5.196 1.00 10.00 C ATOM 228 CG PHE A 16 -10.732 17.599 -3.839 1.00 10.00 C ATOM 229 CD1 PHE A 16 -10.273 18.075 -2.591 1.00 10.00 C ATOM 230 CD2 PHE A 16 -11.834 16.716 -3.853 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.899 17.676 -1.395 1.00 10.00 C ATOM 232 CE2 PHE A 16 -12.447 16.298 -2.658 1.00 10.00 C ATOM 233 CZ PHE A 16 -11.982 16.783 -1.426 1.00 10.00 C ATOM 0 H PHE A 16 -8.172 16.562 -5.221 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.795 19.026 -6.498 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -10.847 18.896 -5.488 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -10.404 17.247 -5.884 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.433 18.752 -2.554 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -12.213 16.355 -4.798 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -10.545 18.059 -0.449 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -13.274 15.605 -2.689 1.00 10.00 H new ATOM 0 HZ PHE A 16 -12.455 16.471 -0.506 1.00 10.00 H new ATOM 243 N ASP A 17 -7.290 19.323 -3.759 1.00 10.00 N ATOM 244 CA ASP A 17 -6.810 20.125 -2.622 1.00 10.00 C ATOM 245 C ASP A 17 -6.803 21.667 -2.755 1.00 10.00 C ATOM 246 O ASP A 17 -7.165 22.359 -1.801 1.00 10.00 O ATOM 247 CB ASP A 17 -5.435 19.598 -2.189 1.00 10.00 C ATOM 248 CG ASP A 17 -4.913 20.290 -0.918 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.389 19.955 0.195 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.005 21.149 -1.024 1.00 10.00 O ATOM 0 H ASP A 17 -6.765 18.454 -3.858 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.573 19.981 -1.857 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.500 18.524 -2.014 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.721 19.746 -2.999 1.00 10.00 H new ATOM 255 N THR A 18 -6.448 22.216 -3.924 1.00 10.00 N ATOM 256 CA THR A 18 -6.445 23.660 -4.212 1.00 10.00 C ATOM 257 C THR A 18 -7.601 24.142 -5.107 1.00 10.00 C ATOM 258 O THR A 18 -8.020 25.297 -5.008 1.00 10.00 O ATOM 259 CB THR A 18 -5.076 24.100 -4.752 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.879 25.488 -4.572 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.868 23.781 -6.231 1.00 10.00 C ATOM 0 H THR A 18 -6.146 21.653 -4.719 1.00 10.00 H new ATOM 0 HA THR A 18 -6.624 24.154 -3.257 1.00 10.00 H new ATOM 0 HB THR A 18 -4.350 23.526 -4.175 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.000 25.742 -4.923 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.880 24.121 -6.541 1.00 10.00 H new ATOM 0 HG22 THR A 18 -4.947 22.705 -6.386 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.629 24.289 -6.823 1.00 10.00 H new ATOM 269 N GLY A 19 -8.182 23.274 -5.944 1.00 10.00 N ATOM 270 CA GLY A 19 -9.407 23.577 -6.697 1.00 10.00 C ATOM 271 C GLY A 19 -10.625 23.649 -5.771 1.00 10.00 C ATOM 272 O GLY A 19 -11.420 24.583 -5.856 1.00 10.00 O ATOM 0 H GLY A 19 -7.815 22.338 -6.119 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.289 24.525 -7.221 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.569 22.811 -7.456 1.00 10.00 H new ATOM 292 N ASP A 21 -10.379 24.604 -2.759 1.00 10.00 N ATOM 293 CA ASP A 21 -10.160 25.841 -2.033 1.00 10.00 C ATOM 294 C ASP A 21 -10.616 27.083 -2.794 1.00 10.00 C ATOM 295 O ASP A 21 -10.969 28.066 -2.156 1.00 10.00 O ATOM 296 CB ASP A 21 -8.724 25.893 -1.516 1.00 10.00 C ATOM 297 CG ASP A 21 -8.298 27.272 -0.983 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.582 27.574 0.201 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.643 28.037 -1.731 1.00 10.00 O ATOM 0 HA ASP A 21 -10.810 25.847 -1.158 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.609 25.157 -0.721 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.049 25.602 -2.321 1.00 10.00 H new ATOM 304 N ASN A 22 -10.727 27.049 -4.125 1.00 10.00 N ATOM 305 CA ASN A 22 -11.388 28.124 -4.857 1.00 10.00 C ATOM 306 C ASN A 22 -12.898 28.120 -4.586 1.00 10.00 C ATOM 307 O ASN A 22 -13.562 29.155 -4.694 1.00 10.00 O ATOM 308 CB ASN A 22 -11.216 27.957 -6.371 1.00 10.00 C ATOM 309 CG ASN A 22 -9.840 28.328 -6.904 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.679 29.322 -7.599 1.00 10.00 O ATOM 311 ND2 ASN A 22 -8.796 27.582 -6.619 1.00 10.00 N ATOM 0 H ASN A 22 -10.370 26.294 -4.710 1.00 10.00 H new ATOM 0 HA ASN A 22 -10.929 29.053 -4.518 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.424 26.920 -6.633 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.963 28.569 -6.877 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -7.875 27.836 -6.976 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -8.907 26.749 -6.041 1.00 10.00 H new ATOM 318 N LEU A 23 -13.451 26.952 -4.261 1.00 10.00 N ATOM 319 CA LEU A 23 -14.805 26.824 -3.778 1.00 10.00 C ATOM 320 C LEU A 23 -14.938 27.147 -2.281 1.00 10.00 C ATOM 321 O LEU A 23 -15.788 27.950 -1.911 1.00 10.00 O ATOM 322 CB LEU A 23 -15.405 25.500 -4.252 1.00 10.00 C ATOM 323 CG LEU A 23 -16.765 25.711 -4.954 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.759 26.456 -4.083 1.00 10.00 C ATOM 325 CD2 LEU A 23 -16.898 26.424 -6.296 1.00 10.00 C ATOM 0 H LEU A 23 -12.956 26.063 -4.330 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.430 27.596 -4.226 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.713 25.011 -4.938 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.534 24.833 -3.400 1.00 10.00 H new ATOM 0 HG LEU A 23 -16.943 24.653 -5.146 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.697 26.577 -4.624 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -17.938 25.890 -3.169 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.357 27.437 -3.829 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -17.947 26.452 -6.591 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.519 27.442 -6.206 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.324 25.888 -7.051 1.00 10.00 H new ATOM 337 N GLN A 24 -14.042 26.632 -1.437 1.00 10.00 N ATOM 338 CA GLN A 24 -13.921 26.943 -0.011 1.00 10.00 C ATOM 339 C GLN A 24 -13.782 28.439 0.236 1.00 10.00 C ATOM 340 O GLN A 24 -14.484 28.961 1.086 1.00 10.00 O ATOM 341 CB GLN A 24 -12.714 26.230 0.605 1.00 10.00 C ATOM 342 CG GLN A 24 -12.652 26.333 2.128 1.00 10.00 C ATOM 343 CD GLN A 24 -13.776 25.622 2.878 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.057 24.447 2.679 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.452 26.303 3.779 1.00 10.00 N ATOM 0 H GLN A 24 -13.346 25.953 -1.745 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.839 26.592 0.460 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.741 25.178 0.322 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.801 26.650 0.184 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.699 25.925 2.464 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.663 27.387 2.405 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.226 27.282 3.953 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.201 25.851 4.303 1.00 10.00 H new ATOM 354 N THR A 25 -12.905 29.141 -0.479 1.00 10.00 N ATOM 355 CA THR A 25 -12.706 30.584 -0.333 1.00 10.00 C ATOM 356 C THR A 25 -14.019 31.319 -0.577 1.00 10.00 C ATOM 357 O THR A 25 -14.467 32.109 0.244 1.00 10.00 O ATOM 358 CB THR A 25 -11.542 31.056 -1.217 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.073 32.311 -0.779 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.823 31.133 -2.710 1.00 10.00 C ATOM 0 H THR A 25 -12.304 28.719 -1.186 1.00 10.00 H new ATOM 0 HA THR A 25 -12.413 30.824 0.689 1.00 10.00 H new ATOM 0 HB THR A 25 -10.791 30.275 -1.100 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.330 32.600 -1.349 1.00 10.00 H new ATOM 0 HG21 THR A 25 -10.930 31.478 -3.231 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.100 30.146 -3.079 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.640 31.831 -2.891 1.00 10.00 H new ATOM 368 N GLN A 26 -14.735 30.904 -1.619 1.00 10.00 N ATOM 369 CA GLN A 26 -16.099 31.325 -1.924 1.00 10.00 C ATOM 370 C GLN A 26 -17.115 31.047 -0.800 1.00 10.00 C ATOM 371 O GLN A 26 -17.810 31.974 -0.375 1.00 10.00 O ATOM 372 CB GLN A 26 -16.527 30.676 -3.259 1.00 10.00 C ATOM 373 CG GLN A 26 -16.743 31.678 -4.401 1.00 10.00 C ATOM 374 CD GLN A 26 -15.502 32.499 -4.759 1.00 10.00 C ATOM 375 OE1 GLN A 26 -15.516 33.722 -4.746 1.00 10.00 O ATOM 376 NE2 GLN A 26 -14.392 31.882 -5.107 1.00 10.00 N ATOM 0 H GLN A 26 -14.366 30.240 -2.300 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.096 32.411 -2.015 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.767 29.956 -3.561 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.450 30.118 -3.100 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.074 31.136 -5.287 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -17.548 32.359 -4.124 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.359 30.863 -5.124 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -13.565 32.423 -5.359 1.00 10.00 H new ATOM 385 N VAL A 27 -17.212 29.816 -0.280 1.00 10.00 N ATOM 386 CA VAL A 27 -18.130 29.499 0.827 1.00 10.00 C ATOM 387 C VAL A 27 -17.755 30.250 2.092 1.00 10.00 C ATOM 388 O VAL A 27 -18.609 30.704 2.841 1.00 10.00 O ATOM 389 CB VAL A 27 -18.269 28.001 1.177 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.126 27.082 -0.035 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.370 27.414 2.270 1.00 10.00 C ATOM 0 H VAL A 27 -16.665 29.020 -0.608 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.098 29.822 0.445 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.282 28.021 1.580 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.234 26.044 0.281 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -18.898 27.321 -0.766 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.144 27.224 -0.485 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.592 26.354 2.394 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.325 27.535 1.985 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.553 27.935 3.210 1.00 10.00 H new ATOM 401 N THR A 28 -16.459 30.395 2.329 1.00 10.00 N ATOM 402 CA THR A 28 -15.918 31.086 3.481 1.00 10.00 C ATOM 403 C THR A 28 -16.154 32.574 3.381 1.00 10.00 C ATOM 404 O THR A 28 -16.249 33.243 4.395 1.00 10.00 O ATOM 405 CB THR A 28 -14.420 30.894 3.632 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.064 29.528 3.632 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.954 31.484 4.946 1.00 10.00 C ATOM 0 H THR A 28 -15.740 30.025 1.707 1.00 10.00 H new ATOM 0 HA THR A 28 -16.433 30.656 4.340 1.00 10.00 H new ATOM 0 HB THR A 28 -13.949 31.392 2.784 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.892 29.235 2.713 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.878 31.342 5.047 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.183 32.549 4.968 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.465 30.986 5.770 1.00 10.00 H new ATOM 415 N GLU A 29 -16.257 33.132 2.184 1.00 10.00 N ATOM 416 CA GLU A 29 -16.617 34.521 2.044 1.00 10.00 C ATOM 417 C GLU A 29 -18.137 34.723 2.212 1.00 10.00 C ATOM 418 O GLU A 29 -18.569 35.763 2.696 1.00 10.00 O ATOM 419 CB GLU A 29 -16.062 35.100 0.762 1.00 10.00 C ATOM 420 CG GLU A 29 -14.547 35.308 0.872 1.00 10.00 C ATOM 421 CD GLU A 29 -14.000 36.078 -0.345 1.00 10.00 C ATOM 422 OE1 GLU A 29 -13.720 35.458 -1.399 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.850 37.322 -0.258 1.00 10.00 O ATOM 0 H GLU A 29 -16.096 32.641 1.304 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.153 35.087 2.852 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.283 34.432 -0.070 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.550 36.050 0.545 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.318 35.857 1.786 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.049 34.341 0.948 1.00 10.00 H new ATOM 430 N ALA A 30 -18.969 33.729 1.879 1.00 10.00 N ATOM 431 CA ALA A 30 -20.385 33.728 2.246 1.00 10.00 C ATOM 432 C ALA A 30 -20.520 33.650 3.772 1.00 10.00 C ATOM 433 O ALA A 30 -21.333 34.332 4.393 1.00 10.00 O ATOM 434 CB ALA A 30 -21.081 32.540 1.591 1.00 10.00 C ATOM 0 H ALA A 30 -18.678 32.907 1.350 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.855 34.648 1.897 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.136 32.540 1.865 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -20.987 32.616 0.508 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.618 31.614 1.931 1.00 10.00 H new ATOM 440 N LEU A 31 -19.651 32.853 4.385 1.00 10.00 N ATOM 441 CA LEU A 31 -19.442 32.773 5.811 1.00 10.00 C ATOM 442 C LEU A 31 -18.796 34.036 6.396 1.00 10.00 C ATOM 443 O LEU A 31 -19.084 34.365 7.529 1.00 10.00 O ATOM 444 CB LEU A 31 -18.563 31.563 6.079 1.00 10.00 C ATOM 445 CG LEU A 31 -18.429 31.245 7.564 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.629 30.442 8.046 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.121 30.498 7.732 1.00 10.00 C ATOM 0 H LEU A 31 -19.046 32.216 3.866 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.412 32.680 6.299 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.978 30.697 5.563 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.573 31.739 5.659 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.414 32.149 8.173 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.518 30.223 9.108 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.540 31.019 7.888 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.690 29.508 7.488 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.978 30.247 8.783 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.146 29.583 7.140 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.297 31.126 7.394 1.00 10.00 H new ATOM 459 N ASP A 32 -17.974 34.793 5.673 1.00 10.00 N ATOM 460 CA ASP A 32 -17.483 36.097 6.114 1.00 10.00 C ATOM 461 C ASP A 32 -18.679 37.026 6.376 1.00 10.00 C ATOM 462 O ASP A 32 -18.667 37.814 7.322 1.00 10.00 O ATOM 463 CB ASP A 32 -16.461 36.663 5.108 1.00 10.00 C ATOM 464 CG ASP A 32 -16.094 38.126 5.399 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.304 38.379 6.340 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.578 39.023 4.666 1.00 10.00 O ATOM 0 H ASP A 32 -17.626 34.516 4.755 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.941 36.002 7.055 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.557 36.054 5.132 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.869 36.588 4.100 1.00 10.00 H new ATOM 471 N LYS A 33 -19.766 36.838 5.612 1.00 10.00 N ATOM 472 CA LYS A 33 -21.057 37.454 5.841 1.00 10.00 C ATOM 473 C LYS A 33 -21.793 36.789 7.011 1.00 10.00 C ATOM 474 O LYS A 33 -22.381 37.467 7.849 1.00 10.00 O ATOM 475 CB LYS A 33 -21.914 37.487 4.574 1.00 10.00 C ATOM 476 CG LYS A 33 -21.274 37.592 3.186 1.00 10.00 C ATOM 477 CD LYS A 33 -20.055 38.511 3.058 1.00 10.00 C ATOM 478 CE LYS A 33 -19.675 38.670 1.589 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.476 39.536 1.441 1.00 10.00 N ATOM 0 H LYS A 33 -19.757 36.230 4.793 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.873 38.492 6.118 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.521 36.582 4.577 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.598 38.330 4.674 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.980 36.591 2.870 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.035 37.937 2.486 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.277 39.486 3.493 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.216 38.096 3.617 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.477 37.691 1.153 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.510 39.102 1.038 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.237 39.629 0.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.676 40.476 1.838 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.675 39.109 1.949 1.00 10.00 H new ATOM 493 N LEU A 34 -21.794 35.456 7.080 1.00 10.00 N ATOM 494 CA LEU A 34 -22.543 34.696 8.092 1.00 10.00 C ATOM 495 C LEU A 34 -21.899 34.806 9.484 1.00 10.00 C ATOM 496 O LEU A 34 -22.515 34.560 10.507 1.00 10.00 O ATOM 497 CB LEU A 34 -22.748 33.255 7.622 1.00 10.00 C ATOM 498 CG LEU A 34 -24.183 32.722 7.809 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.327 31.480 6.994 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.684 32.266 9.161 1.00 10.00 C ATOM 0 H LEU A 34 -21.272 34.866 6.432 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.533 35.137 8.204 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.484 33.189 6.567 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.059 32.607 8.164 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.753 33.615 7.552 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.336 31.084 7.110 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.146 31.711 5.944 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.604 30.737 7.332 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.717 31.929 9.072 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.064 31.444 9.520 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.632 33.095 9.867 1.00 10.00 H new ATOM 512 N ALA A 35 -20.631 35.175 9.537 1.00 10.00 N ATOM 513 CA ALA A 35 -19.907 35.549 10.730 1.00 10.00 C ATOM 514 C ALA A 35 -20.203 37.040 11.100 1.00 10.00 C ATOM 515 O ALA A 35 -20.071 37.426 12.264 1.00 10.00 O ATOM 516 CB ALA A 35 -18.434 35.194 10.469 1.00 10.00 C ATOM 0 H ALA A 35 -20.051 35.223 8.700 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.221 35.005 11.621 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.836 35.456 11.342 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.346 34.125 10.277 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -18.074 35.749 9.603 1.00 10.00 H new ATOM 522 N ALA A 36 -20.623 37.873 10.123 1.00 10.00 N ATOM 523 CA ALA A 36 -21.008 39.294 10.251 1.00 10.00 C ATOM 524 C ALA A 36 -22.443 39.570 10.769 1.00 10.00 C ATOM 525 O ALA A 36 -22.623 40.331 11.725 1.00 10.00 O ATOM 526 CB ALA A 36 -20.769 40.007 8.902 1.00 10.00 C ATOM 0 H ALA A 36 -20.707 37.548 9.160 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.368 39.698 11.036 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -21.051 41.056 8.990 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.715 39.936 8.635 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.372 39.533 8.128 1.00 10.00 H new ATOM 532 N LYS A 37 -23.461 38.959 10.145 1.00 10.00 N ATOM 533 CA LYS A 37 -24.917 39.138 10.408 1.00 10.00 C ATOM 534 C LYS A 37 -25.642 37.775 10.320 1.00 10.00 C ATOM 535 O LYS A 37 -26.680 37.648 9.673 1.00 10.00 O ATOM 536 CB LYS A 37 -25.442 40.064 9.311 1.00 10.00 C ATOM 537 CG LYS A 37 -26.766 40.763 9.614 1.00 10.00 C ATOM 538 CD LYS A 37 -27.283 41.362 8.302 1.00 10.00 C ATOM 539 CE LYS A 37 -28.609 42.066 8.583 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.329 42.415 7.332 1.00 10.00 N ATOM 0 H LYS A 37 -23.292 38.285 9.398 1.00 10.00 H new ATOM 0 HA LYS A 37 -25.089 39.552 11.402 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.688 40.825 9.111 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.559 39.483 8.396 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.488 40.056 10.023 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.625 41.543 10.362 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.558 42.067 7.895 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.420 40.579 7.556 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.239 41.422 9.196 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.423 42.972 9.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.162 42.994 7.561 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.696 42.952 6.705 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.634 41.544 6.852 1.00 10.00 H new ATOM 554 N PRO A 38 -25.117 36.739 10.979 1.00 10.00 N ATOM 555 CA PRO A 38 -25.472 35.349 10.784 1.00 10.00 C ATOM 556 C PRO A 38 -26.730 34.886 10.067 1.00 10.00 C ATOM 557 O PRO A 38 -26.684 34.659 8.860 1.00 10.00 O ATOM 558 CB PRO A 38 -25.080 34.571 12.035 1.00 10.00 C ATOM 559 CG PRO A 38 -24.288 35.562 12.894 1.00 10.00 C ATOM 560 CD PRO A 38 -24.159 36.839 12.063 1.00 10.00 C ATOM 0 HA PRO A 38 -24.882 35.086 9.906 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.961 34.207 12.564 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.477 33.699 11.783 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.803 35.760 13.834 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.306 35.161 13.146 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.359 37.719 12.675 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.146 36.945 11.674 1.00 10.00 H new ATOM 568 N SER A 39 -27.841 34.677 10.761 1.00 10.00 N ATOM 569 CA SER A 39 -29.001 34.026 10.174 1.00 10.00 C ATOM 570 C SER A 39 -29.796 34.917 9.212 1.00 10.00 C ATOM 571 O SER A 39 -30.890 34.527 8.802 1.00 10.00 O ATOM 572 CB SER A 39 -29.830 33.316 11.235 1.00 10.00 C ATOM 573 OG SER A 39 -30.349 34.229 12.193 1.00 10.00 O ATOM 0 H SER A 39 -27.962 34.951 11.736 1.00 10.00 H new ATOM 0 HA SER A 39 -28.631 33.242 9.514 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.652 32.782 10.758 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.215 32.570 11.739 1.00 10.00 H new ATOM 0 HG SER A 39 -30.877 33.740 12.858 1.00 10.00 H new ATOM 579 N ASP A 40 -29.261 36.101 8.857 1.00 10.00 N ATOM 580 CA ASP A 40 -29.745 36.950 7.762 1.00 10.00 C ATOM 581 C ASP A 40 -29.901 36.029 6.545 1.00 10.00 C ATOM 582 O ASP A 40 -28.905 35.573 5.990 1.00 10.00 O ATOM 583 CB ASP A 40 -28.794 38.122 7.482 1.00 10.00 C ATOM 584 CG ASP A 40 -29.228 38.896 6.227 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.830 38.521 5.101 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.980 39.889 6.376 1.00 10.00 O ATOM 0 H ASP A 40 -28.457 36.501 9.341 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.696 37.416 8.020 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.777 38.794 8.340 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.779 37.748 7.350 1.00 10.00 H new ATOM 591 N PRO A 41 -31.123 35.691 6.121 1.00 10.00 N ATOM 592 CA PRO A 41 -31.291 34.620 5.153 1.00 10.00 C ATOM 593 C PRO A 41 -30.758 34.925 3.763 1.00 10.00 C ATOM 594 O PRO A 41 -30.409 33.999 3.039 1.00 10.00 O ATOM 595 CB PRO A 41 -32.788 34.351 5.137 1.00 10.00 C ATOM 596 CG PRO A 41 -33.402 35.695 5.538 1.00 10.00 C ATOM 597 CD PRO A 41 -32.395 36.254 6.531 1.00 10.00 C ATOM 0 HA PRO A 41 -30.701 33.753 5.448 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.127 34.034 4.151 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.061 33.561 5.837 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.528 36.353 4.678 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.386 35.570 5.990 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.374 37.343 6.503 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.645 35.967 7.552 1.00 10.00 H new ATOM 605 N ALA A 42 -30.652 36.192 3.377 1.00 10.00 N ATOM 606 CA ALA A 42 -30.090 36.567 2.097 1.00 10.00 C ATOM 607 C ALA A 42 -28.591 36.202 1.993 1.00 10.00 C ATOM 608 O ALA A 42 -28.170 35.646 0.974 1.00 10.00 O ATOM 609 CB ALA A 42 -30.408 38.047 1.895 1.00 10.00 C ATOM 0 H ALA A 42 -30.955 36.982 3.946 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.535 36.001 1.279 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.003 38.379 0.939 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.488 38.191 1.901 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.960 38.629 2.700 1.00 10.00 H new ATOM 615 N LEU A 43 -27.794 36.427 3.050 1.00 10.00 N ATOM 616 CA LEU A 43 -26.412 35.948 3.146 1.00 10.00 C ATOM 617 C LEU A 43 -26.285 34.467 3.568 1.00 10.00 C ATOM 618 O LEU A 43 -25.488 33.738 2.979 1.00 10.00 O ATOM 619 CB LEU A 43 -25.606 36.931 4.017 1.00 10.00 C ATOM 620 CG LEU A 43 -25.808 36.814 5.526 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.905 35.774 6.128 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.344 38.034 6.300 1.00 10.00 C ATOM 0 H LEU A 43 -28.098 36.953 3.869 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.976 35.940 2.147 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.547 36.791 3.801 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.862 37.946 3.714 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.878 36.620 5.606 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.078 35.720 7.203 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.116 34.804 5.677 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.865 36.043 5.941 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.519 37.878 7.364 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.279 38.192 6.127 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.900 38.910 5.966 1.00 10.00 H new ATOM 634 N LEU A 44 -27.048 33.990 4.563 1.00 10.00 N ATOM 635 CA LEU A 44 -26.993 32.598 5.046 1.00 10.00 C ATOM 636 C LEU A 44 -27.437 31.648 3.941 1.00 10.00 C ATOM 637 O LEU A 44 -26.867 30.567 3.813 1.00 10.00 O ATOM 638 CB LEU A 44 -27.764 32.460 6.388 1.00 10.00 C ATOM 639 CG LEU A 44 -28.638 31.236 6.727 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.702 30.818 5.710 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.810 29.998 6.985 1.00 10.00 C ATOM 0 H LEU A 44 -27.728 34.564 5.061 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.968 32.310 5.281 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -27.022 32.541 7.182 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.410 33.334 6.466 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.157 31.605 7.611 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.238 29.945 6.082 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.404 31.638 5.560 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.223 30.573 4.762 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.469 29.162 7.220 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.224 29.760 6.097 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.139 30.178 7.825 1.00 10.00 H new ATOM 653 N ALA A 45 -28.397 32.021 3.091 1.00 10.00 N ATOM 654 CA ALA A 45 -28.783 31.123 2.027 1.00 10.00 C ATOM 655 C ALA A 45 -27.762 31.122 0.880 1.00 10.00 C ATOM 656 O ALA A 45 -27.589 30.100 0.219 1.00 10.00 O ATOM 657 CB ALA A 45 -30.214 31.379 1.548 1.00 10.00 C ATOM 0 H ALA A 45 -28.899 32.908 3.123 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.779 30.115 2.441 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.460 30.681 0.748 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.906 31.238 2.378 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.296 32.400 1.176 1.00 10.00 H new ATOM 663 N ALA A 46 -27.030 32.222 0.670 1.00 10.00 N ATOM 664 CA ALA A 46 -25.888 32.239 -0.231 1.00 10.00 C ATOM 665 C ALA A 46 -24.737 31.376 0.316 1.00 10.00 C ATOM 666 O ALA A 46 -24.079 30.665 -0.440 1.00 10.00 O ATOM 667 CB ALA A 46 -25.428 33.675 -0.462 1.00 10.00 C ATOM 0 H ALA A 46 -27.217 33.118 1.121 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.195 31.811 -1.186 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.573 33.679 -1.138 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.241 34.251 -0.903 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.141 34.123 0.489 1.00 10.00 H new ATOM 673 N TYR A 47 -24.532 31.357 1.635 1.00 10.00 N ATOM 674 CA TYR A 47 -23.611 30.448 2.299 1.00 10.00 C ATOM 675 C TYR A 47 -23.993 29.012 2.080 1.00 10.00 C ATOM 676 O TYR A 47 -23.184 28.237 1.581 1.00 10.00 O ATOM 677 CB TYR A 47 -23.596 30.714 3.793 1.00 10.00 C ATOM 678 CG TYR A 47 -22.748 29.726 4.586 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.365 29.621 4.362 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.378 28.805 5.452 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.612 28.607 4.987 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.626 27.815 6.111 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.241 27.703 5.871 1.00 10.00 C ATOM 684 OH TYR A 47 -20.525 26.718 6.481 1.00 10.00 O ATOM 0 H TYR A 47 -25.013 31.986 2.278 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.625 30.623 1.870 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.222 31.723 3.969 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.619 30.683 4.168 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.875 30.324 3.705 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.445 28.861 5.610 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.554 28.521 4.790 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.110 27.140 6.801 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.118 26.190 7.055 1.00 10.00 H new ATOM 694 N GLN A 48 -25.233 28.674 2.421 1.00 10.00 N ATOM 695 CA GLN A 48 -25.694 27.302 2.333 1.00 10.00 C ATOM 696 C GLN A 48 -25.741 26.825 0.864 1.00 10.00 C ATOM 697 O GLN A 48 -25.574 25.646 0.559 1.00 10.00 O ATOM 698 CB GLN A 48 -26.953 27.103 3.175 1.00 10.00 C ATOM 699 CG GLN A 48 -28.232 27.567 2.515 1.00 10.00 C ATOM 700 CD GLN A 48 -28.948 26.496 1.691 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.334 25.441 2.179 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.163 26.723 0.411 1.00 10.00 N ATOM 0 H GLN A 48 -25.932 29.335 2.760 1.00 10.00 H new ATOM 0 HA GLN A 48 -24.974 26.621 2.788 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.048 26.045 3.418 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.832 27.637 4.118 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -28.912 27.929 3.286 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.005 28.414 1.867 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.848 27.596 -0.012 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -29.644 26.026 -0.157 1.00 10.00 H new ATOM 711 N SER A 49 -25.879 27.780 -0.062 1.00 10.00 N ATOM 712 CA SER A 49 -25.717 27.571 -1.500 1.00 10.00 C ATOM 713 C SER A 49 -24.276 27.226 -1.849 1.00 10.00 C ATOM 714 O SER A 49 -24.023 26.241 -2.534 1.00 10.00 O ATOM 715 CB SER A 49 -26.101 28.817 -2.329 1.00 10.00 C ATOM 716 OG SER A 49 -27.497 29.042 -2.269 1.00 10.00 O ATOM 0 H SER A 49 -26.113 28.744 0.177 1.00 10.00 H new ATOM 0 HA SER A 49 -26.386 26.747 -1.748 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.569 29.690 -1.951 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.793 28.680 -3.366 1.00 10.00 H new ATOM 0 HG SER A 49 -27.714 29.538 -1.452 1.00 10.00 H new ATOM 722 N LYS A 50 -23.311 28.007 -1.360 1.00 10.00 N ATOM 723 CA LYS A 50 -21.881 27.832 -1.627 1.00 10.00 C ATOM 724 C LYS A 50 -21.316 26.560 -0.995 1.00 10.00 C ATOM 725 O LYS A 50 -20.550 25.856 -1.634 1.00 10.00 O ATOM 726 CB LYS A 50 -21.148 29.113 -1.203 1.00 10.00 C ATOM 727 CG LYS A 50 -21.544 30.285 -2.117 1.00 10.00 C ATOM 728 CD LYS A 50 -20.425 30.695 -3.059 1.00 10.00 C ATOM 729 CE LYS A 50 -20.050 29.616 -4.080 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.456 29.999 -5.461 1.00 10.00 N ATOM 0 H LYS A 50 -23.507 28.801 -0.750 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.723 27.683 -2.695 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.391 29.353 -0.168 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.070 28.955 -1.249 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.421 30.005 -2.701 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.829 31.140 -1.503 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.724 31.598 -3.592 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.543 30.948 -2.471 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -18.974 29.446 -4.051 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.529 28.675 -3.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.186 29.245 -6.124 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.486 30.137 -5.494 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.980 30.883 -5.730 1.00 10.00 H new ATOM 744 N LEU A 51 -21.770 26.225 0.205 1.00 10.00 N ATOM 745 CA LEU A 51 -21.593 24.976 0.954 1.00 10.00 C ATOM 746 C LEU A 51 -22.020 23.774 0.101 1.00 10.00 C ATOM 747 O LEU A 51 -21.362 22.735 0.121 1.00 10.00 O ATOM 748 CB LEU A 51 -22.430 25.224 2.235 1.00 10.00 C ATOM 749 CG LEU A 51 -23.044 24.122 3.121 1.00 10.00 C ATOM 750 CD1 LEU A 51 -23.881 24.828 4.205 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.019 23.177 2.410 1.00 10.00 C ATOM 0 H LEU A 51 -22.332 26.888 0.739 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.565 24.726 1.217 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.798 25.819 2.894 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.261 25.860 1.930 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.206 23.525 3.481 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.336 24.082 4.857 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.237 25.481 4.794 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.663 25.421 3.732 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.394 22.440 3.120 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -24.854 23.751 2.008 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.503 22.667 1.596 1.00 10.00 H new ATOM 763 N SER A 52 -23.066 23.935 -0.710 1.00 10.00 N ATOM 764 CA SER A 52 -23.459 22.964 -1.718 1.00 10.00 C ATOM 765 C SER A 52 -22.625 23.050 -2.994 1.00 10.00 C ATOM 766 O SER A 52 -22.201 22.016 -3.496 1.00 10.00 O ATOM 767 CB SER A 52 -24.930 23.103 -2.091 1.00 10.00 C ATOM 768 OG SER A 52 -25.785 23.060 -0.957 1.00 10.00 O ATOM 0 H SER A 52 -23.669 24.757 -0.681 1.00 10.00 H new ATOM 0 HA SER A 52 -23.282 21.992 -1.257 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.080 24.044 -2.620 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.204 22.304 -2.779 1.00 10.00 H new ATOM 0 HG SER A 52 -25.727 23.909 -0.471 1.00 10.00 H new ATOM 774 N GLU A 53 -22.319 24.245 -3.505 1.00 10.00 N ATOM 775 CA GLU A 53 -21.477 24.430 -4.683 1.00 10.00 C ATOM 776 C GLU A 53 -20.089 23.805 -4.508 1.00 10.00 C ATOM 777 O GLU A 53 -19.496 23.306 -5.455 1.00 10.00 O ATOM 778 CB GLU A 53 -21.215 25.880 -5.036 1.00 10.00 C ATOM 779 CG GLU A 53 -22.240 26.835 -5.609 1.00 10.00 C ATOM 780 CD GLU A 53 -23.015 26.267 -6.813 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.391 26.007 -7.869 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.256 26.112 -6.720 1.00 10.00 O ATOM 0 H GLU A 53 -22.655 25.121 -3.105 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.052 23.946 -5.472 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.848 26.348 -4.123 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.387 25.870 -5.744 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -22.949 27.104 -4.826 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.737 27.753 -5.913 1.00 10.00 H new ATOM 789 N TYR A 54 -19.548 23.853 -3.297 1.00 10.00 N ATOM 790 CA TYR A 54 -18.275 23.251 -2.932 1.00 10.00 C ATOM 791 C TYR A 54 -18.352 21.721 -2.968 1.00 10.00 C ATOM 792 O TYR A 54 -17.405 21.067 -3.405 1.00 10.00 O ATOM 793 CB TYR A 54 -17.810 23.858 -1.603 1.00 10.00 C ATOM 794 CG TYR A 54 -17.137 22.937 -0.640 1.00 10.00 C ATOM 795 CD1 TYR A 54 -17.926 22.189 0.239 1.00 10.00 C ATOM 796 CD2 TYR A 54 -15.737 22.894 -0.574 1.00 10.00 C ATOM 797 CE1 TYR A 54 -17.318 21.414 1.228 1.00 10.00 C ATOM 798 CE2 TYR A 54 -15.120 22.115 0.414 1.00 10.00 C ATOM 799 CZ TYR A 54 -15.907 21.386 1.341 1.00 10.00 C ATOM 800 OH TYR A 54 -15.319 20.675 2.342 1.00 10.00 O ATOM 0 H TYR A 54 -20.000 24.329 -2.516 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.504 23.485 -3.666 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.125 24.677 -1.825 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.677 24.293 -1.107 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -19.002 22.211 0.153 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -15.140 23.456 -1.278 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -17.925 20.835 1.908 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -14.042 22.070 0.469 1.00 10.00 H new ATOM 0 HH TYR A 54 -14.345 20.760 2.275 1.00 10.00 H new ATOM 843 N TYR A 57 -18.520 21.152 -6.836 1.00 10.00 N ATOM 844 CA TYR A 57 -17.130 21.158 -7.257 1.00 10.00 C ATOM 845 C TYR A 57 -16.557 19.730 -7.057 1.00 10.00 C ATOM 846 O TYR A 57 -15.907 19.150 -7.929 1.00 10.00 O ATOM 847 CB TYR A 57 -16.368 22.286 -6.531 1.00 10.00 C ATOM 848 CG TYR A 57 -14.885 22.042 -6.603 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.351 21.079 -5.736 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.125 22.538 -7.676 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.119 20.485 -6.027 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.839 22.020 -7.912 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.346 20.966 -7.110 1.00 10.00 C ATOM 854 OH TYR A 57 -11.141 20.412 -7.407 1.00 10.00 O ATOM 0 HA TYR A 57 -17.018 21.388 -8.317 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.608 23.247 -6.985 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.685 22.337 -5.489 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.890 20.796 -4.844 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.526 23.311 -8.315 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.759 19.662 -5.427 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.229 22.427 -8.705 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.753 20.869 -8.182 1.00 10.00 H new ATOM 864 N ARG A 58 -16.906 19.122 -5.916 1.00 10.00 N ATOM 865 CA ARG A 58 -16.635 17.741 -5.502 1.00 10.00 C ATOM 866 C ARG A 58 -17.359 16.696 -6.362 1.00 10.00 C ATOM 867 O ARG A 58 -16.780 15.666 -6.687 1.00 10.00 O ATOM 868 CB ARG A 58 -17.096 17.628 -4.033 1.00 10.00 C ATOM 869 CG ARG A 58 -16.137 17.019 -3.017 1.00 10.00 C ATOM 870 CD ARG A 58 -15.589 18.074 -2.044 1.00 10.00 C ATOM 871 NE ARG A 58 -16.490 18.211 -0.881 1.00 10.00 N ATOM 872 CZ ARG A 58 -16.187 18.071 0.395 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.961 17.964 0.823 1.00 10.00 N ATOM 874 NH2 ARG A 58 -17.149 18.020 1.267 1.00 10.00 N ATOM 0 H ARG A 58 -17.429 19.626 -5.200 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.572 17.532 -5.623 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.353 18.629 -3.688 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.014 17.040 -4.017 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.650 16.239 -2.455 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.308 16.542 -3.540 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.592 17.788 -1.709 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.491 19.033 -2.553 1.00 10.00 H new ATOM 0 HE ARG A 58 -17.462 18.441 -1.090 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -14.186 17.987 0.161 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -14.777 17.857 1.820 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -18.119 18.088 0.960 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -16.934 17.912 2.258 1.00 10.00 H new ATOM 888 N ASN A 59 -18.607 16.966 -6.748 1.00 10.00 N ATOM 889 CA ASN A 59 -19.440 16.120 -7.606 1.00 10.00 C ATOM 890 C ASN A 59 -18.863 16.032 -9.027 1.00 10.00 C ATOM 891 O ASN A 59 -18.772 14.962 -9.624 1.00 10.00 O ATOM 892 CB ASN A 59 -20.886 16.660 -7.639 1.00 10.00 C ATOM 893 CG ASN A 59 -21.858 15.670 -8.270 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.827 14.475 -8.015 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.753 16.131 -9.115 1.00 10.00 N ATOM 0 H ASN A 59 -19.087 17.818 -6.458 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.449 15.113 -7.189 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.210 16.887 -6.623 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.910 17.596 -8.198 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.417 15.493 -9.554 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.784 17.127 -9.332 1.00 10.00 H new ATOM 902 N ALA A 60 -18.405 17.173 -9.538 1.00 10.00 N ATOM 903 CA ALA A 60 -17.634 17.309 -10.758 1.00 10.00 C ATOM 904 C ALA A 60 -16.311 16.541 -10.642 1.00 10.00 C ATOM 905 O ALA A 60 -15.983 15.745 -11.522 1.00 10.00 O ATOM 906 CB ALA A 60 -17.471 18.811 -11.014 1.00 10.00 C ATOM 0 H ALA A 60 -18.574 18.070 -9.084 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.135 16.866 -11.619 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.894 18.964 -11.926 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.453 19.270 -11.124 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.949 19.269 -10.174 1.00 10.00 H new ATOM 912 N GLN A 61 -15.634 16.638 -9.492 1.00 10.00 N ATOM 913 CA GLN A 61 -14.485 15.811 -9.108 1.00 10.00 C ATOM 914 C GLN A 61 -14.874 14.404 -8.588 1.00 10.00 C ATOM 915 O GLN A 61 -14.225 13.789 -7.746 1.00 10.00 O ATOM 916 CB GLN A 61 -13.561 16.580 -8.185 1.00 10.00 C ATOM 917 CG GLN A 61 -12.134 15.984 -8.182 1.00 10.00 C ATOM 918 CD GLN A 61 -11.158 16.662 -9.144 1.00 10.00 C ATOM 919 OE1 GLN A 61 -10.691 16.071 -10.107 1.00 10.00 O ATOM 920 NE2 GLN A 61 -10.788 17.906 -8.931 1.00 10.00 N ATOM 0 H GLN A 61 -15.881 17.321 -8.776 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.921 15.594 -10.015 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.519 17.623 -8.498 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.964 16.566 -7.172 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.730 16.047 -7.171 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -12.196 14.926 -8.435 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -11.164 18.420 -8.134 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -10.126 18.356 -9.563 1.00 10.00 H new ATOM 929 N SER A 62 -15.983 13.914 -9.124 1.00 10.00 N ATOM 930 CA SER A 62 -16.540 12.564 -9.061 1.00 10.00 C ATOM 931 C SER A 62 -17.181 12.179 -10.414 1.00 10.00 C ATOM 932 O SER A 62 -17.863 11.161 -10.535 1.00 10.00 O ATOM 933 CB SER A 62 -17.488 12.451 -7.865 1.00 10.00 C ATOM 934 OG SER A 62 -17.855 11.105 -7.607 1.00 10.00 O ATOM 0 H SER A 62 -16.586 14.522 -9.678 1.00 10.00 H new ATOM 0 HA SER A 62 -15.747 11.835 -8.895 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.009 12.873 -6.981 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.384 13.042 -8.055 1.00 10.00 H new ATOM 0 HG SER A 62 -17.977 10.631 -8.456 1.00 10.00 H new ATOM 940 N ASN A 63 -16.902 12.977 -11.456 1.00 10.00 N ATOM 941 CA ASN A 63 -17.351 12.839 -12.834 1.00 10.00 C ATOM 942 C ASN A 63 -16.164 12.770 -13.796 1.00 10.00 C ATOM 943 O ASN A 63 -16.025 11.835 -14.576 1.00 10.00 O ATOM 944 CB ASN A 63 -18.277 14.027 -13.141 1.00 10.00 C ATOM 945 CG ASN A 63 -19.245 13.716 -14.268 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.940 13.876 -15.440 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.432 13.248 -13.954 1.00 10.00 N ATOM 0 H ASN A 63 -16.309 13.798 -11.338 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.898 11.906 -12.968 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.837 14.291 -12.244 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.676 14.896 -13.409 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -21.100 13.018 -14.689 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.685 13.115 -12.975 1.00 10.00 H new ATOM 954 N THR A 64 -15.234 13.705 -13.635 1.00 10.00 N ATOM 955 CA THR A 64 -13.904 13.727 -14.263 1.00 10.00 C ATOM 956 C THR A 64 -13.085 12.464 -13.993 1.00 10.00 C ATOM 957 O THR A 64 -12.428 11.882 -14.847 1.00 10.00 O ATOM 958 CB THR A 64 -13.176 14.963 -13.749 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.944 15.158 -14.396 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.986 14.935 -12.235 1.00 10.00 C ATOM 0 H THR A 64 -15.389 14.513 -13.033 1.00 10.00 H new ATOM 0 HA THR A 64 -14.030 13.761 -15.345 1.00 10.00 H new ATOM 0 HB THR A 64 -13.818 15.811 -13.987 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.291 14.510 -14.059 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.463 15.837 -11.917 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.960 14.889 -11.747 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.400 14.059 -11.958 1.00 10.00 H new ATOM 968 N VAL A 65 -13.260 11.952 -12.788 1.00 10.00 N ATOM 969 CA VAL A 65 -12.811 10.671 -12.237 1.00 10.00 C ATOM 970 C VAL A 65 -13.234 9.471 -13.098 1.00 10.00 C ATOM 971 O VAL A 65 -12.508 8.488 -13.235 1.00 10.00 O ATOM 972 CB VAL A 65 -13.421 10.566 -10.827 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.683 9.540 -9.979 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.370 11.903 -10.087 1.00 10.00 C ATOM 0 H VAL A 65 -13.779 12.479 -12.086 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.722 10.643 -12.214 1.00 10.00 H new ATOM 0 HB VAL A 65 -14.458 10.262 -10.969 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -13.138 9.490 -8.990 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.744 8.562 -10.456 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.637 9.832 -9.883 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.810 11.788 -9.096 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.333 12.225 -9.989 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.931 12.651 -10.648 1.00 10.00 H new ATOM 984 N LYS A 66 -14.403 9.603 -13.733 1.00 10.00 N ATOM 985 CA LYS A 66 -15.075 8.692 -14.656 1.00 10.00 C ATOM 986 C LYS A 66 -14.907 9.107 -16.136 1.00 10.00 C ATOM 987 O LYS A 66 -15.526 8.529 -17.027 1.00 10.00 O ATOM 988 CB LYS A 66 -16.552 8.619 -14.219 1.00 10.00 C ATOM 989 CG LYS A 66 -16.873 7.464 -13.254 1.00 10.00 C ATOM 990 CD LYS A 66 -16.184 7.567 -11.882 1.00 10.00 C ATOM 991 CE LYS A 66 -16.747 6.544 -10.880 1.00 10.00 C ATOM 992 NZ LYS A 66 -16.398 5.143 -11.234 1.00 10.00 N ATOM 0 H LYS A 66 -14.960 10.446 -13.595 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.619 7.703 -14.607 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.824 9.561 -13.742 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -17.176 8.519 -15.107 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -17.952 7.423 -13.102 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -16.582 6.524 -13.723 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.112 7.407 -12.001 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -16.314 8.574 -11.485 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -16.365 6.769 -9.884 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -17.832 6.644 -10.836 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.020 4.489 -10.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.521 5.002 -12.257 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -15.408 4.956 -10.976 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.010 10.061 -16.398 1.00 10.00 N ATOM 1007 CA VAL A 67 -13.567 10.584 -17.691 1.00 10.00 C ATOM 1008 C VAL A 67 -12.090 10.309 -17.921 1.00 10.00 C ATOM 1009 O VAL A 67 -11.688 10.019 -19.041 1.00 10.00 O ATOM 1010 CB VAL A 67 -13.887 12.075 -17.749 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.099 12.848 -18.784 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.384 12.224 -17.939 1.00 10.00 C ATOM 0 H VAL A 67 -13.528 10.533 -15.633 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.099 10.076 -18.495 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.573 12.524 -16.807 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -13.391 13.898 -18.754 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.034 12.762 -18.569 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -13.304 12.442 -19.775 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.642 13.282 -17.984 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -15.683 11.738 -18.868 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -15.905 11.759 -17.102 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.273 10.314 -16.871 1.00 10.00 N ATOM 1023 CA PHE A 68 -9.905 9.809 -16.921 1.00 10.00 C ATOM 1024 C PHE A 68 -9.948 8.314 -17.316 1.00 10.00 C ATOM 1025 O PHE A 68 -9.043 7.789 -17.961 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.245 10.074 -15.566 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.891 11.532 -15.319 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.020 12.212 -16.193 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.449 12.224 -14.225 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.744 13.578 -16.000 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -9.183 13.591 -14.038 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.338 14.273 -14.931 1.00 10.00 C ATOM 0 H PHE A 68 -11.544 10.671 -15.955 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.300 10.315 -17.673 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.915 9.736 -14.776 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.338 9.474 -15.493 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.562 11.682 -17.015 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -10.085 11.700 -13.526 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.075 14.094 -16.673 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.628 14.118 -13.207 1.00 10.00 H new ATOM 0 HZ PHE A 68 -8.146 15.327 -14.797 1.00 10.00 H new