USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 603 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 44 SER OG : rot 180:sc= 0.235 USER MOD Set 1.2: A 45 THR OG1 : rot 161:sc= 1.24 USER MOD Set 2.1: A 13 TYR OH : rot -25:sc= 0.305 USER MOD Set 2.2: A 34 THR OG1 : rot 65:sc= 1.63 USER MOD Single : A 1 LYS N :NH3+ 152:sc= 0.743 (180deg=0.318) USER MOD Single : A 1 LYS NZ :NH3+ -115:sc= 0.378 (180deg=-0.00681) USER MOD Single : A 2 SER OG : rot 180:sc= 0.11 USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= 0.389 (180deg=-0.058) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.689) USER MOD Single : A 21 ASN : amide:sc= 1.43 K(o=1.4,f=-6.2!) USER MOD Single : A 22 GLN : amide:sc= 0.882 K(o=0.88,f=-3.1!) USER MOD Single : A 24 SER OG : rot -128:sc= 1.79 USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= 0.287 (180deg=0.00771) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= -0.0108 (180deg=-0.0334) USER MOD Single : A 33 GLN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 38 SER OG : rot 47:sc= 1.23 USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0.948 (180deg=0.766) USER MOD Single : A 43 MET CE :methyl 171:sc=-0.00504 (180deg=-0.136) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -78:sc= 1.59 USER MOD Single : A 67 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.24) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0396) USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= -0.0162 (180deg=-0.806) USER MOD Single : A 74 SER OG : rot 2:sc= 1.21 USER MOD Single : A 75 GLN : amide:sc= 1.09 K(o=1.1,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.370 2.728 -1.058 1.00 0.00 N ATOM 2 CA LYS A 1 3.575 1.883 -1.148 1.00 0.00 C ATOM 3 C LYS A 1 3.330 0.706 -2.094 1.00 0.00 C ATOM 4 O LYS A 1 3.793 0.719 -3.232 1.00 0.00 O ATOM 5 CB LYS A 1 4.044 1.453 0.253 1.00 0.00 C ATOM 6 CG LYS A 1 5.439 0.805 0.297 1.00 0.00 C ATOM 7 CD LYS A 1 5.466 -0.654 -0.186 1.00 0.00 C ATOM 8 CE LYS A 1 6.753 -1.366 0.248 1.00 0.00 C ATOM 9 NZ LYS A 1 7.953 -0.757 -0.352 1.00 0.00 N ATOM 0 H1 LYS A 1 2.346 3.200 -0.132 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.391 3.444 -1.812 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.522 2.136 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 1 4.393 2.462 -1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.044 2.327 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.319 0.750 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.121 1.393 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.815 0.846 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.602 -1.186 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.383 -0.680 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.836 -1.334 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.699 -2.417 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.405 -1.439 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.681 0.093 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.622 -0.494 0.400 1.00 0.00 H new ATOM 25 N SER A 2 2.604 -0.317 -1.636 1.00 0.00 N ATOM 26 CA SER A 2 2.476 -1.581 -2.339 1.00 0.00 C ATOM 27 C SER A 2 2.001 -1.418 -3.787 1.00 0.00 C ATOM 28 O SER A 2 2.662 -1.944 -4.676 1.00 0.00 O ATOM 29 CB SER A 2 1.626 -2.560 -1.518 1.00 0.00 C ATOM 30 OG SER A 2 1.648 -2.164 -0.155 1.00 0.00 O ATOM 0 H SER A 2 2.086 -0.284 -0.758 1.00 0.00 H new ATOM 0 HA SER A 2 3.471 -2.016 -2.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.601 -2.572 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.014 -3.573 -1.622 1.00 0.00 H new ATOM 0 HG SER A 2 1.105 -2.785 0.375 1.00 0.00 H new ATOM 36 N PRO A 3 0.909 -0.687 -4.066 1.00 0.00 N ATOM 37 CA PRO A 3 0.455 -0.464 -5.433 1.00 0.00 C ATOM 38 C PRO A 3 1.577 0.072 -6.326 1.00 0.00 C ATOM 39 O PRO A 3 1.782 -0.413 -7.436 1.00 0.00 O ATOM 40 CB PRO A 3 -0.708 0.530 -5.324 1.00 0.00 C ATOM 41 CG PRO A 3 -1.243 0.287 -3.914 1.00 0.00 C ATOM 42 CD PRO A 3 0.037 0.007 -3.129 1.00 0.00 C ATOM 0 HA PRO A 3 0.140 -1.396 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.372 1.559 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.469 0.344 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.777 1.154 -3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.934 -0.555 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.494 0.932 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.165 -0.605 -2.250 1.00 0.00 H new ATOM 50 N GLU A 4 2.313 1.067 -5.827 1.00 0.00 N ATOM 51 CA GLU A 4 3.384 1.724 -6.557 1.00 0.00 C ATOM 52 C GLU A 4 4.538 0.749 -6.783 1.00 0.00 C ATOM 53 O GLU A 4 5.080 0.663 -7.883 1.00 0.00 O ATOM 54 CB GLU A 4 3.848 2.960 -5.775 1.00 0.00 C ATOM 55 CG GLU A 4 2.715 3.976 -5.564 1.00 0.00 C ATOM 56 CD GLU A 4 3.067 4.960 -4.456 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.784 4.610 -3.289 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.621 6.028 -4.792 1.00 0.00 O ATOM 0 H GLU A 4 2.174 1.441 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 4 3.022 2.046 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.239 2.649 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.668 3.439 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.529 4.518 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.793 3.452 -5.311 1.00 0.00 H new ATOM 65 N GLU A 5 4.910 0.004 -5.741 1.00 0.00 N ATOM 66 CA GLU A 5 5.941 -1.015 -5.834 1.00 0.00 C ATOM 67 C GLU A 5 5.564 -2.034 -6.915 1.00 0.00 C ATOM 68 O GLU A 5 6.356 -2.331 -7.806 1.00 0.00 O ATOM 69 CB GLU A 5 6.116 -1.660 -4.453 1.00 0.00 C ATOM 70 CG GLU A 5 7.268 -2.668 -4.413 1.00 0.00 C ATOM 71 CD GLU A 5 7.463 -3.203 -2.998 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.527 -3.875 -2.514 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.526 -2.902 -2.415 1.00 0.00 O ATOM 0 H GLU A 5 4.501 0.095 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 5 6.896 -0.580 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.295 -0.880 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.190 -2.161 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.060 -3.493 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.186 -2.193 -4.758 1.00 0.00 H new ATOM 80 N LEU A 6 4.340 -2.556 -6.841 1.00 0.00 N ATOM 81 CA LEU A 6 3.855 -3.584 -7.748 1.00 0.00 C ATOM 82 C LEU A 6 3.766 -3.031 -9.169 1.00 0.00 C ATOM 83 O LEU A 6 4.109 -3.733 -10.117 1.00 0.00 O ATOM 84 CB LEU A 6 2.515 -4.151 -7.260 1.00 0.00 C ATOM 85 CG LEU A 6 2.638 -4.826 -5.881 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.271 -4.900 -5.197 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.215 -6.237 -5.996 1.00 0.00 C ATOM 0 H LEU A 6 3.654 -2.271 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 6 4.563 -4.413 -7.761 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.780 -3.348 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.143 -4.875 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 6 3.317 -4.218 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.377 -5.380 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.876 -3.893 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.586 -5.480 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.287 -6.682 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.563 -6.847 -6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.207 -6.189 -6.445 1.00 0.00 H new ATOM 99 N LYS A 7 3.345 -1.771 -9.326 1.00 0.00 N ATOM 100 CA LYS A 7 3.416 -1.078 -10.602 1.00 0.00 C ATOM 101 C LYS A 7 4.855 -1.077 -11.117 1.00 0.00 C ATOM 102 O LYS A 7 5.098 -1.511 -12.237 1.00 0.00 O ATOM 103 CB LYS A 7 2.858 0.347 -10.478 1.00 0.00 C ATOM 104 CG LYS A 7 2.830 1.048 -11.842 1.00 0.00 C ATOM 105 CD LYS A 7 2.199 2.440 -11.723 1.00 0.00 C ATOM 106 CE LYS A 7 2.318 3.221 -13.038 1.00 0.00 C ATOM 107 NZ LYS A 7 1.684 2.512 -14.165 1.00 0.00 N ATOM 0 H LYS A 7 2.948 -1.211 -8.571 1.00 0.00 H new ATOM 0 HA LYS A 7 2.798 -1.606 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.851 0.312 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.470 0.922 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.844 1.135 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.265 0.447 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.148 2.343 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.687 2.996 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.855 4.201 -12.920 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.371 3.391 -13.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.300 3.205 -14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.391 1.918 -14.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.913 1.913 -13.808 1.00 0.00 H new ATOM 121 N GLY A 8 5.805 -0.596 -10.313 1.00 0.00 N ATOM 122 CA GLY A 8 7.211 -0.548 -10.688 1.00 0.00 C ATOM 123 C GLY A 8 7.695 -1.914 -11.174 1.00 0.00 C ATOM 124 O GLY A 8 8.206 -2.038 -12.287 1.00 0.00 O ATOM 0 H GLY A 8 5.615 -0.228 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.357 0.194 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.808 -0.229 -9.834 1.00 0.00 H new ATOM 128 N ILE A 9 7.511 -2.940 -10.340 1.00 0.00 N ATOM 129 CA ILE A 9 7.822 -4.328 -10.662 1.00 0.00 C ATOM 130 C ILE A 9 7.208 -4.689 -12.021 1.00 0.00 C ATOM 131 O ILE A 9 7.932 -5.030 -12.959 1.00 0.00 O ATOM 132 CB ILE A 9 7.322 -5.227 -9.511 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.195 -5.042 -8.257 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.275 -6.712 -9.864 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.635 -5.812 -7.057 1.00 0.00 C ATOM 0 H ILE A 9 7.132 -2.822 -9.400 1.00 0.00 H new ATOM 0 HA ILE A 9 8.897 -4.482 -10.755 1.00 0.00 H new ATOM 0 HB ILE A 9 6.298 -4.906 -9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.209 -5.382 -8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.259 -3.982 -8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.914 -7.279 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.603 -6.864 -10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.275 -7.054 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.279 -5.656 -6.192 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.631 -5.453 -6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.596 -6.875 -7.293 1.00 0.00 H new ATOM 147 N PHE A 10 5.876 -4.611 -12.118 1.00 0.00 N ATOM 148 CA PHE A 10 5.120 -4.891 -13.335 1.00 0.00 C ATOM 149 C PHE A 10 5.779 -4.222 -14.547 1.00 0.00 C ATOM 150 O PHE A 10 6.073 -4.891 -15.535 1.00 0.00 O ATOM 151 CB PHE A 10 3.649 -4.470 -13.148 1.00 0.00 C ATOM 152 CG PHE A 10 2.844 -4.383 -14.432 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.987 -3.250 -15.249 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.081 -5.469 -14.895 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.578 -3.292 -16.586 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.527 -5.442 -16.186 1.00 0.00 C ATOM 157 CZ PHE A 10 1.828 -4.382 -17.055 1.00 0.00 C ATOM 0 H PHE A 10 5.284 -4.345 -11.331 1.00 0.00 H new ATOM 0 HA PHE A 10 5.128 -5.963 -13.531 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.164 -5.181 -12.479 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.624 -3.499 -12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.414 -2.344 -14.844 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.920 -6.326 -14.257 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.839 -2.487 -17.257 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.870 -6.236 -16.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.485 -4.405 -18.079 1.00 0.00 H new ATOM 167 N GLU A 11 6.021 -2.910 -14.469 1.00 0.00 N ATOM 168 CA GLU A 11 6.576 -2.133 -15.566 1.00 0.00 C ATOM 169 C GLU A 11 7.958 -2.658 -15.949 1.00 0.00 C ATOM 170 O GLU A 11 8.228 -2.864 -17.128 1.00 0.00 O ATOM 171 CB GLU A 11 6.633 -0.642 -15.202 1.00 0.00 C ATOM 172 CG GLU A 11 5.232 -0.012 -15.176 1.00 0.00 C ATOM 173 CD GLU A 11 5.273 1.473 -14.830 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.941 1.807 -13.828 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.616 2.245 -15.561 1.00 0.00 O ATOM 0 H GLU A 11 5.833 -2.358 -13.632 1.00 0.00 H new ATOM 0 HA GLU A 11 5.921 -2.241 -16.431 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.104 -0.523 -14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.256 -0.114 -15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.759 -0.143 -16.149 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.614 -0.536 -14.447 1.00 0.00 H new ATOM 182 N LYS A 12 8.841 -2.868 -14.968 1.00 0.00 N ATOM 183 CA LYS A 12 10.180 -3.371 -15.246 1.00 0.00 C ATOM 184 C LYS A 12 10.122 -4.734 -15.937 1.00 0.00 C ATOM 185 O LYS A 12 10.840 -4.960 -16.909 1.00 0.00 O ATOM 186 CB LYS A 12 11.008 -3.440 -13.956 1.00 0.00 C ATOM 187 CG LYS A 12 11.356 -2.039 -13.437 1.00 0.00 C ATOM 188 CD LYS A 12 12.255 -2.084 -12.193 1.00 0.00 C ATOM 189 CE LYS A 12 11.552 -2.726 -10.990 1.00 0.00 C ATOM 190 NZ LYS A 12 12.370 -2.620 -9.769 1.00 0.00 N ATOM 0 H LYS A 12 8.650 -2.697 -13.981 1.00 0.00 H new ATOM 0 HA LYS A 12 10.671 -2.676 -15.928 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.451 -3.984 -13.193 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.925 -3.999 -14.140 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.858 -1.477 -14.225 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.437 -1.504 -13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.162 -2.644 -12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.563 -1.071 -11.933 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.589 -2.241 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.348 -3.775 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.867 -3.063 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.279 -3.104 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.543 -1.617 -9.553 1.00 0.00 H new ATOM 204 N TYR A 13 9.272 -5.642 -15.451 1.00 0.00 N ATOM 205 CA TYR A 13 9.060 -6.915 -16.117 1.00 0.00 C ATOM 206 C TYR A 13 8.575 -6.704 -17.551 1.00 0.00 C ATOM 207 O TYR A 13 9.254 -7.087 -18.504 1.00 0.00 O ATOM 208 CB TYR A 13 8.111 -7.782 -15.288 1.00 0.00 C ATOM 209 CG TYR A 13 8.846 -8.557 -14.220 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.603 -9.682 -14.590 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.756 -8.196 -12.865 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.294 -10.418 -13.617 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.496 -8.897 -11.902 1.00 0.00 C ATOM 214 CZ TYR A 13 10.266 -10.009 -12.276 1.00 0.00 C ATOM 215 OH TYR A 13 10.888 -10.743 -11.315 1.00 0.00 O ATOM 0 H TYR A 13 8.724 -5.513 -14.600 1.00 0.00 H new ATOM 0 HA TYR A 13 10.007 -7.450 -16.192 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.355 -7.150 -14.823 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.586 -8.476 -15.944 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.653 -9.980 -15.627 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.117 -7.379 -12.565 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.848 -11.301 -13.901 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.473 -8.580 -10.870 1.00 0.00 H new ATOM 0 HH TYR A 13 10.955 -11.676 -11.608 1.00 0.00 H new ATOM 225 N ALA A 14 7.404 -6.086 -17.694 1.00 0.00 N ATOM 226 CA ALA A 14 6.769 -5.780 -18.965 1.00 0.00 C ATOM 227 C ALA A 14 7.762 -5.230 -19.985 1.00 0.00 C ATOM 228 O ALA A 14 7.875 -5.747 -21.096 1.00 0.00 O ATOM 229 CB ALA A 14 5.645 -4.774 -18.717 1.00 0.00 C ATOM 0 H ALA A 14 6.854 -5.774 -16.894 1.00 0.00 H new ATOM 0 HA ALA A 14 6.367 -6.702 -19.385 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.157 -4.533 -19.662 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.915 -5.205 -18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.060 -3.865 -18.281 1.00 0.00 H new ATOM 235 N ALA A 15 8.504 -4.198 -19.581 1.00 0.00 N ATOM 236 CA ALA A 15 9.470 -3.494 -20.407 1.00 0.00 C ATOM 237 C ALA A 15 10.391 -4.411 -21.218 1.00 0.00 C ATOM 238 O ALA A 15 10.770 -4.029 -22.325 1.00 0.00 O ATOM 239 CB ALA A 15 10.293 -2.535 -19.545 1.00 0.00 C ATOM 0 H ALA A 15 8.442 -3.821 -18.635 1.00 0.00 H new ATOM 0 HA ALA A 15 8.891 -2.937 -21.143 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.015 -2.011 -20.171 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.630 -1.811 -19.072 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.822 -3.099 -18.776 1.00 0.00 H new ATOM 245 N LYS A 16 10.769 -5.605 -20.729 1.00 0.00 N ATOM 246 CA LYS A 16 11.685 -6.423 -21.524 1.00 0.00 C ATOM 247 C LYS A 16 11.029 -6.899 -22.825 1.00 0.00 C ATOM 248 O LYS A 16 11.724 -7.196 -23.794 1.00 0.00 O ATOM 249 CB LYS A 16 12.330 -7.548 -20.705 1.00 0.00 C ATOM 250 CG LYS A 16 11.444 -8.781 -20.503 1.00 0.00 C ATOM 251 CD LYS A 16 12.210 -9.902 -19.786 1.00 0.00 C ATOM 252 CE LYS A 16 12.758 -9.505 -18.409 1.00 0.00 C ATOM 253 NZ LYS A 16 11.715 -8.912 -17.557 1.00 0.00 N ATOM 0 H LYS A 16 10.472 -6.004 -19.838 1.00 0.00 H new ATOM 0 HA LYS A 16 12.517 -5.786 -21.824 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.251 -7.856 -21.199 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.609 -7.154 -19.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.564 -8.508 -19.921 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.089 -9.140 -21.469 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.549 -10.761 -19.668 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.039 -10.222 -20.417 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.174 -10.384 -17.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.574 -8.793 -18.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.015 -8.953 -16.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.564 -7.921 -17.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.828 -9.443 -17.673 1.00 0.00 H new ATOM 267 N GLU A 17 9.693 -6.929 -22.866 1.00 0.00 N ATOM 268 CA GLU A 17 8.917 -7.203 -24.067 1.00 0.00 C ATOM 269 C GLU A 17 8.645 -5.916 -24.857 1.00 0.00 C ATOM 270 O GLU A 17 7.712 -5.872 -25.659 1.00 0.00 O ATOM 271 CB GLU A 17 7.603 -7.896 -23.677 1.00 0.00 C ATOM 272 CG GLU A 17 7.852 -9.069 -22.721 1.00 0.00 C ATOM 273 CD GLU A 17 6.635 -9.979 -22.619 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.664 -9.581 -21.940 1.00 0.00 O ATOM 275 OE2 GLU A 17 6.697 -11.076 -23.217 1.00 0.00 O ATOM 0 H GLU A 17 9.114 -6.759 -22.044 1.00 0.00 H new ATOM 0 HA GLU A 17 9.491 -7.865 -24.715 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.936 -7.175 -23.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.100 -8.256 -24.574 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.710 -9.645 -23.068 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.104 -8.686 -21.732 1.00 0.00 H new ATOM 282 N GLY A 18 9.421 -4.850 -24.634 1.00 0.00 N ATOM 283 CA GLY A 18 9.264 -3.582 -25.327 1.00 0.00 C ATOM 284 C GLY A 18 8.100 -2.789 -24.740 1.00 0.00 C ATOM 285 O GLY A 18 8.292 -1.689 -24.228 1.00 0.00 O ATOM 0 H GLY A 18 10.184 -4.851 -23.957 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.183 -3.002 -25.247 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.091 -3.761 -26.388 1.00 0.00 H new ATOM 289 N ASP A 19 6.886 -3.340 -24.822 1.00 0.00 N ATOM 290 CA ASP A 19 5.685 -2.698 -24.309 1.00 0.00 C ATOM 291 C ASP A 19 5.822 -2.494 -22.792 1.00 0.00 C ATOM 292 O ASP A 19 5.860 -3.481 -22.060 1.00 0.00 O ATOM 293 CB ASP A 19 4.458 -3.559 -24.647 1.00 0.00 C ATOM 294 CG ASP A 19 3.128 -2.866 -24.343 1.00 0.00 C ATOM 295 OD1 ASP A 19 3.123 -1.940 -23.501 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.127 -3.275 -24.968 1.00 0.00 O ATOM 0 H ASP A 19 6.714 -4.250 -25.250 1.00 0.00 H new ATOM 0 HA ASP A 19 5.555 -1.721 -24.775 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.489 -3.823 -25.704 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.511 -4.491 -24.084 1.00 0.00 H new ATOM 301 N PRO A 20 5.866 -1.251 -22.285 1.00 0.00 N ATOM 302 CA PRO A 20 5.979 -1.006 -20.855 1.00 0.00 C ATOM 303 C PRO A 20 4.700 -1.404 -20.116 1.00 0.00 C ATOM 304 O PRO A 20 4.742 -1.643 -18.911 1.00 0.00 O ATOM 305 CB PRO A 20 6.251 0.495 -20.727 1.00 0.00 C ATOM 306 CG PRO A 20 5.529 1.078 -21.941 1.00 0.00 C ATOM 307 CD PRO A 20 5.753 0.008 -23.010 1.00 0.00 C ATOM 0 HA PRO A 20 6.774 -1.602 -20.406 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.860 0.898 -19.793 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.318 0.715 -20.748 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.469 1.238 -21.744 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.947 2.040 -22.237 1.00 0.00 H new ATOM 0 HD2 PRO A 20 4.924 -0.020 -23.717 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.656 0.212 -23.586 1.00 0.00 H new ATOM 315 N ASN A 21 3.559 -1.451 -20.815 1.00 0.00 N ATOM 316 CA ASN A 21 2.262 -1.748 -20.231 1.00 0.00 C ATOM 317 C ASN A 21 1.757 -3.119 -20.682 1.00 0.00 C ATOM 318 O ASN A 21 0.601 -3.227 -21.094 1.00 0.00 O ATOM 319 CB ASN A 21 1.259 -0.629 -20.559 1.00 0.00 C ATOM 320 CG ASN A 21 -0.044 -0.778 -19.767 1.00 0.00 C ATOM 321 OD1 ASN A 21 -0.104 -1.502 -18.780 1.00 0.00 O ATOM 322 ND2 ASN A 21 -1.107 -0.091 -20.172 1.00 0.00 N ATOM 0 H ASN A 21 3.520 -1.279 -21.820 1.00 0.00 H new ATOM 0 HA ASN A 21 2.369 -1.790 -19.147 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.710 0.338 -20.338 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.038 -0.641 -21.626 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.986 -0.163 -19.660 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.044 0.508 -20.995 1.00 0.00 H new ATOM 329 N GLN A 22 2.586 -4.174 -20.602 1.00 0.00 N ATOM 330 CA GLN A 22 2.075 -5.530 -20.801 1.00 0.00 C ATOM 331 C GLN A 22 3.010 -6.679 -20.424 1.00 0.00 C ATOM 332 O GLN A 22 4.212 -6.605 -20.651 1.00 0.00 O ATOM 333 CB GLN A 22 1.535 -5.718 -22.228 1.00 0.00 C ATOM 334 CG GLN A 22 0.041 -6.050 -22.167 1.00 0.00 C ATOM 335 CD GLN A 22 -0.719 -5.456 -23.345 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.193 -6.161 -24.227 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.842 -4.132 -23.349 1.00 0.00 N ATOM 0 H GLN A 22 3.585 -4.113 -20.406 1.00 0.00 H new ATOM 0 HA GLN A 22 1.264 -5.601 -20.076 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.694 -4.811 -22.811 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.077 -6.519 -22.731 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.091 -7.132 -22.158 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.378 -5.670 -21.235 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.433 -3.580 -22.596 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.346 -3.669 -24.105 1.00 0.00 H new ATOM 346 N LEU A 23 2.419 -7.756 -19.886 1.00 0.00 N ATOM 347 CA LEU A 23 3.079 -9.004 -19.525 1.00 0.00 C ATOM 348 C LEU A 23 2.479 -10.165 -20.327 1.00 0.00 C ATOM 349 O LEU A 23 1.307 -10.487 -20.147 1.00 0.00 O ATOM 350 CB LEU A 23 2.837 -9.303 -18.035 1.00 0.00 C ATOM 351 CG LEU A 23 3.330 -8.237 -17.053 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.839 -8.600 -15.654 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.842 -8.160 -16.975 1.00 0.00 C ATOM 0 H LEU A 23 1.419 -7.774 -19.684 1.00 0.00 H new ATOM 0 HA LEU A 23 4.144 -8.903 -19.735 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.767 -9.445 -17.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.322 -10.248 -17.790 1.00 0.00 H new ATOM 0 HG LEU A 23 2.947 -7.280 -17.407 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.182 -7.850 -14.942 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.750 -8.634 -15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.234 -9.576 -15.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.131 -7.387 -16.263 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.239 -9.121 -16.648 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.245 -7.917 -17.958 1.00 0.00 H new ATOM 365 N SER A 24 3.253 -10.836 -21.182 1.00 0.00 N ATOM 366 CA SER A 24 2.809 -12.088 -21.793 1.00 0.00 C ATOM 367 C SER A 24 2.594 -13.156 -20.715 1.00 0.00 C ATOM 368 O SER A 24 3.025 -12.968 -19.584 1.00 0.00 O ATOM 369 CB SER A 24 3.896 -12.569 -22.758 1.00 0.00 C ATOM 370 OG SER A 24 5.079 -12.861 -22.027 1.00 0.00 O ATOM 0 H SER A 24 4.185 -10.535 -21.465 1.00 0.00 H new ATOM 0 HA SER A 24 1.870 -11.922 -22.321 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.557 -13.456 -23.292 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.098 -11.803 -23.507 1.00 0.00 H new ATOM 0 HG SER A 24 5.838 -12.390 -22.431 1.00 0.00 H new ATOM 376 N LYS A 25 1.987 -14.302 -21.048 1.00 0.00 N ATOM 377 CA LYS A 25 1.982 -15.471 -20.168 1.00 0.00 C ATOM 378 C LYS A 25 3.375 -15.743 -19.594 1.00 0.00 C ATOM 379 O LYS A 25 3.511 -16.039 -18.410 1.00 0.00 O ATOM 380 CB LYS A 25 1.503 -16.715 -20.922 1.00 0.00 C ATOM 381 CG LYS A 25 0.017 -16.655 -21.283 1.00 0.00 C ATOM 382 CD LYS A 25 -0.458 -17.967 -21.918 1.00 0.00 C ATOM 383 CE LYS A 25 -1.973 -17.914 -22.154 1.00 0.00 C ATOM 384 NZ LYS A 25 -2.476 -19.158 -22.763 1.00 0.00 N ATOM 0 H LYS A 25 1.490 -14.442 -21.928 1.00 0.00 H new ATOM 0 HA LYS A 25 1.297 -15.253 -19.348 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.089 -16.830 -21.834 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.688 -17.598 -20.311 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.569 -16.450 -20.387 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.158 -15.830 -21.974 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.060 -18.133 -22.862 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.212 -18.806 -21.268 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.483 -17.741 -21.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.211 -17.070 -22.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.193 -18.928 -23.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.688 -19.668 -23.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.902 -19.757 -22.027 1.00 0.00 H new ATOM 398 N GLU A 26 4.413 -15.649 -20.428 1.00 0.00 N ATOM 399 CA GLU A 26 5.773 -15.909 -19.993 1.00 0.00 C ATOM 400 C GLU A 26 6.221 -14.852 -18.981 1.00 0.00 C ATOM 401 O GLU A 26 6.762 -15.181 -17.927 1.00 0.00 O ATOM 402 CB GLU A 26 6.715 -15.966 -21.201 1.00 0.00 C ATOM 403 CG GLU A 26 6.297 -17.064 -22.187 1.00 0.00 C ATOM 404 CD GLU A 26 7.317 -17.205 -23.311 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.268 -17.992 -23.116 1.00 0.00 O ATOM 406 OE2 GLU A 26 7.131 -16.512 -24.335 1.00 0.00 O ATOM 0 H GLU A 26 4.329 -15.393 -21.412 1.00 0.00 H new ATOM 0 HA GLU A 26 5.808 -16.879 -19.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.717 -15.001 -21.708 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.734 -16.149 -20.861 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.198 -18.013 -21.660 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.319 -16.828 -22.606 1.00 0.00 H new ATOM 413 N GLU A 27 5.995 -13.574 -19.287 1.00 0.00 N ATOM 414 CA GLU A 27 6.377 -12.512 -18.368 1.00 0.00 C ATOM 415 C GLU A 27 5.590 -12.647 -17.052 1.00 0.00 C ATOM 416 O GLU A 27 6.152 -12.515 -15.964 1.00 0.00 O ATOM 417 CB GLU A 27 6.186 -11.154 -19.065 1.00 0.00 C ATOM 418 CG GLU A 27 7.208 -10.094 -18.627 1.00 0.00 C ATOM 419 CD GLU A 27 8.628 -10.488 -19.008 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.854 -10.725 -20.214 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.457 -10.568 -18.078 1.00 0.00 O ATOM 0 H GLU A 27 5.556 -13.256 -20.151 1.00 0.00 H new ATOM 0 HA GLU A 27 7.430 -12.589 -18.099 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.259 -11.294 -20.144 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.181 -10.786 -18.858 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.960 -9.138 -19.087 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.147 -9.954 -17.548 1.00 0.00 H new ATOM 428 N LEU A 28 4.294 -12.957 -17.158 1.00 0.00 N ATOM 429 CA LEU A 28 3.379 -13.153 -16.048 1.00 0.00 C ATOM 430 C LEU A 28 3.860 -14.306 -15.167 1.00 0.00 C ATOM 431 O LEU A 28 3.970 -14.156 -13.951 1.00 0.00 O ATOM 432 CB LEU A 28 1.953 -13.329 -16.593 1.00 0.00 C ATOM 433 CG LEU A 28 0.808 -13.363 -15.562 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.620 -14.750 -14.935 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.942 -12.284 -14.483 1.00 0.00 C ATOM 0 H LEU A 28 3.842 -13.082 -18.064 1.00 0.00 H new ATOM 0 HA LEU A 28 3.359 -12.277 -15.400 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.755 -12.516 -17.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.921 -14.256 -17.165 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.095 -13.136 -16.129 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.199 -14.717 -14.217 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.388 -15.474 -15.716 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.537 -15.047 -14.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.106 -12.360 -13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.878 -12.424 -13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.937 -11.299 -14.950 1.00 0.00 H new ATOM 447 N LYS A 29 4.181 -15.463 -15.753 1.00 0.00 N ATOM 448 CA LYS A 29 4.728 -16.540 -14.947 1.00 0.00 C ATOM 449 C LYS A 29 6.061 -16.110 -14.328 1.00 0.00 C ATOM 450 O LYS A 29 6.330 -16.422 -13.170 1.00 0.00 O ATOM 451 CB LYS A 29 4.788 -17.874 -15.716 1.00 0.00 C ATOM 452 CG LYS A 29 6.027 -18.104 -16.583 1.00 0.00 C ATOM 453 CD LYS A 29 5.943 -19.462 -17.293 1.00 0.00 C ATOM 454 CE LYS A 29 7.271 -19.834 -17.966 1.00 0.00 C ATOM 455 NZ LYS A 29 7.696 -18.828 -18.955 1.00 0.00 N ATOM 0 H LYS A 29 4.074 -15.668 -16.747 1.00 0.00 H new ATOM 0 HA LYS A 29 4.049 -16.740 -14.118 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.720 -18.688 -14.994 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.907 -17.940 -16.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.115 -17.306 -17.321 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.923 -18.066 -15.964 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.672 -20.233 -16.572 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.151 -19.433 -18.042 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.044 -19.942 -17.205 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.169 -20.802 -18.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.570 -19.146 -19.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.949 -18.706 -19.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.869 -17.921 -18.476 1.00 0.00 H new ATOM 469 N LEU A 30 6.916 -15.406 -15.080 1.00 0.00 N ATOM 470 CA LEU A 30 8.219 -14.982 -14.579 1.00 0.00 C ATOM 471 C LEU A 30 8.074 -14.146 -13.304 1.00 0.00 C ATOM 472 O LEU A 30 8.648 -14.496 -12.269 1.00 0.00 O ATOM 473 CB LEU A 30 9.017 -14.250 -15.669 1.00 0.00 C ATOM 474 CG LEU A 30 10.472 -13.961 -15.256 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.304 -15.245 -15.130 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.126 -13.052 -16.302 1.00 0.00 C ATOM 0 H LEU A 30 6.723 -15.120 -16.040 1.00 0.00 H new ATOM 0 HA LEU A 30 8.789 -15.872 -14.311 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.016 -14.851 -16.578 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.519 -13.310 -15.907 1.00 0.00 H new ATOM 0 HG LEU A 30 10.445 -13.477 -14.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.323 -14.991 -14.837 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.860 -15.894 -14.375 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.321 -15.763 -16.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.156 -12.846 -16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.115 -13.548 -17.273 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.573 -12.115 -16.367 1.00 0.00 H new ATOM 488 N LEU A 31 7.323 -13.040 -13.348 1.00 0.00 N ATOM 489 CA LEU A 31 7.241 -12.187 -12.167 1.00 0.00 C ATOM 490 C LEU A 31 6.470 -12.851 -11.032 1.00 0.00 C ATOM 491 O LEU A 31 6.855 -12.686 -9.879 1.00 0.00 O ATOM 492 CB LEU A 31 6.825 -10.738 -12.454 1.00 0.00 C ATOM 493 CG LEU A 31 5.342 -10.373 -12.499 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.188 -8.862 -12.686 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.690 -11.051 -13.683 1.00 0.00 C ATOM 0 H LEU A 31 6.785 -12.727 -14.156 1.00 0.00 H new ATOM 0 HA LEU A 31 8.265 -12.079 -11.809 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.293 -10.108 -11.697 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.259 -10.458 -13.414 1.00 0.00 H new ATOM 0 HG LEU A 31 4.875 -10.692 -11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.129 -8.605 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.663 -8.342 -11.854 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.662 -8.561 -13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.632 -10.790 -13.714 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.173 -10.721 -14.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.795 -12.132 -13.586 1.00 0.00 H new ATOM 507 N LEU A 32 5.422 -13.630 -11.317 1.00 0.00 N ATOM 508 CA LEU A 32 4.731 -14.335 -10.243 1.00 0.00 C ATOM 509 C LEU A 32 5.652 -15.366 -9.595 1.00 0.00 C ATOM 510 O LEU A 32 5.683 -15.443 -8.371 1.00 0.00 O ATOM 511 CB LEU A 32 3.374 -14.890 -10.699 1.00 0.00 C ATOM 512 CG LEU A 32 2.248 -13.863 -10.483 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.620 -12.464 -10.983 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.998 -14.320 -11.228 1.00 0.00 C ATOM 0 H LEU A 32 5.046 -13.783 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 32 4.482 -13.621 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.425 -15.160 -11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.148 -15.802 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 32 2.074 -13.803 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.789 -11.781 -10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.502 -12.109 -10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.834 -12.504 -12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.199 -13.595 -11.077 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.218 -14.401 -12.292 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.683 -15.292 -10.848 1.00 0.00 H new ATOM 526 N GLN A 33 6.458 -16.102 -10.364 1.00 0.00 N ATOM 527 CA GLN A 33 7.494 -16.940 -9.769 1.00 0.00 C ATOM 528 C GLN A 33 8.440 -16.108 -8.904 1.00 0.00 C ATOM 529 O GLN A 33 8.683 -16.466 -7.756 1.00 0.00 O ATOM 530 CB GLN A 33 8.290 -17.682 -10.846 1.00 0.00 C ATOM 531 CG GLN A 33 7.500 -18.846 -11.454 1.00 0.00 C ATOM 532 CD GLN A 33 8.153 -19.329 -12.739 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.619 -20.458 -12.840 1.00 0.00 O ATOM 534 NE2 GLN A 33 8.194 -18.452 -13.735 1.00 0.00 N ATOM 0 H GLN A 33 6.413 -16.134 -11.383 1.00 0.00 H new ATOM 0 HA GLN A 33 6.996 -17.675 -9.137 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.569 -16.983 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.216 -18.061 -10.414 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.444 -19.666 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.477 -18.530 -11.657 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.795 -17.521 -13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.625 -18.709 -14.623 1.00 0.00 H new ATOM 543 N THR A 34 8.995 -15.021 -9.452 1.00 0.00 N ATOM 544 CA THR A 34 10.006 -14.254 -8.730 1.00 0.00 C ATOM 545 C THR A 34 9.429 -13.690 -7.424 1.00 0.00 C ATOM 546 O THR A 34 9.981 -13.898 -6.346 1.00 0.00 O ATOM 547 CB THR A 34 10.587 -13.114 -9.589 1.00 0.00 C ATOM 548 OG1 THR A 34 10.860 -13.495 -10.929 1.00 0.00 O ATOM 549 CG2 THR A 34 11.903 -12.632 -8.964 1.00 0.00 C ATOM 0 H THR A 34 8.764 -14.660 -10.378 1.00 0.00 H new ATOM 0 HA THR A 34 10.820 -14.939 -8.493 1.00 0.00 H new ATOM 0 HB THR A 34 9.828 -12.332 -9.612 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.021 -13.719 -11.383 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.319 -11.825 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.714 -12.269 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.612 -13.459 -8.926 1.00 0.00 H new ATOM 557 N GLU A 35 8.337 -12.934 -7.540 1.00 0.00 N ATOM 558 CA GLU A 35 7.768 -12.142 -6.466 1.00 0.00 C ATOM 559 C GLU A 35 6.864 -12.981 -5.558 1.00 0.00 C ATOM 560 O GLU A 35 6.843 -12.758 -4.349 1.00 0.00 O ATOM 561 CB GLU A 35 7.026 -10.942 -7.082 1.00 0.00 C ATOM 562 CG GLU A 35 7.915 -10.107 -8.017 1.00 0.00 C ATOM 563 CD GLU A 35 9.210 -9.645 -7.357 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.106 -8.968 -6.311 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.279 -9.978 -7.911 1.00 0.00 O ATOM 0 H GLU A 35 7.814 -12.858 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 35 8.567 -11.773 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.160 -11.302 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.649 -10.305 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.155 -10.696 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.356 -9.235 -8.357 1.00 0.00 H new ATOM 572 N PHE A 36 6.116 -13.936 -6.122 1.00 0.00 N ATOM 573 CA PHE A 36 5.098 -14.698 -5.403 1.00 0.00 C ATOM 574 C PHE A 36 5.250 -16.212 -5.611 1.00 0.00 C ATOM 575 O PHE A 36 4.307 -16.838 -6.105 1.00 0.00 O ATOM 576 CB PHE A 36 3.720 -14.227 -5.890 1.00 0.00 C ATOM 577 CG PHE A 36 3.501 -12.729 -5.791 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.653 -12.083 -4.550 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.268 -11.966 -6.951 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.635 -10.682 -4.480 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.225 -10.563 -6.876 1.00 0.00 C ATOM 582 CZ PHE A 36 3.435 -9.925 -5.645 1.00 0.00 C ATOM 0 H PHE A 36 6.204 -14.202 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 36 5.213 -14.520 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.590 -14.533 -6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.950 -14.734 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.784 -12.666 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.122 -12.460 -7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.775 -10.186 -3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.031 -9.979 -7.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.443 -8.846 -5.593 1.00 0.00 H new ATOM 592 N PRO A 37 6.386 -16.821 -5.215 1.00 0.00 N ATOM 593 CA PRO A 37 6.699 -18.230 -5.453 1.00 0.00 C ATOM 594 C PRO A 37 5.754 -19.166 -4.683 1.00 0.00 C ATOM 595 O PRO A 37 6.128 -19.756 -3.674 1.00 0.00 O ATOM 596 CB PRO A 37 8.167 -18.398 -5.035 1.00 0.00 C ATOM 597 CG PRO A 37 8.359 -17.306 -3.985 1.00 0.00 C ATOM 598 CD PRO A 37 7.494 -16.171 -4.532 1.00 0.00 C ATOM 0 HA PRO A 37 6.557 -18.503 -6.499 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.358 -19.389 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.843 -18.268 -5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.029 -17.629 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.404 -17.012 -3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.136 -15.528 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.061 -15.540 -5.216 1.00 0.00 H new ATOM 606 N SER A 38 4.525 -19.290 -5.186 1.00 0.00 N ATOM 607 CA SER A 38 3.388 -20.035 -4.660 1.00 0.00 C ATOM 608 C SER A 38 2.162 -19.730 -5.521 1.00 0.00 C ATOM 609 O SER A 38 1.409 -20.639 -5.857 1.00 0.00 O ATOM 610 CB SER A 38 3.086 -19.665 -3.198 1.00 0.00 C ATOM 611 OG SER A 38 3.903 -20.395 -2.308 1.00 0.00 O ATOM 0 H SER A 38 4.280 -18.823 -6.059 1.00 0.00 H new ATOM 0 HA SER A 38 3.632 -21.097 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.246 -18.597 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.037 -19.864 -2.979 1.00 0.00 H new ATOM 0 HG SER A 38 4.832 -20.369 -2.620 1.00 0.00 H new ATOM 617 N LEU A 39 1.936 -18.469 -5.898 1.00 0.00 N ATOM 618 CA LEU A 39 0.700 -18.069 -6.568 1.00 0.00 C ATOM 619 C LEU A 39 0.754 -18.358 -8.077 1.00 0.00 C ATOM 620 O LEU A 39 0.467 -17.481 -8.888 1.00 0.00 O ATOM 621 CB LEU A 39 0.404 -16.592 -6.261 1.00 0.00 C ATOM 622 CG LEU A 39 0.393 -16.265 -4.755 1.00 0.00 C ATOM 623 CD1 LEU A 39 -0.011 -14.801 -4.557 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.579 -17.153 -3.967 1.00 0.00 C ATOM 0 H LEU A 39 2.597 -17.706 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.125 -18.667 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.151 -15.970 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.563 -16.327 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 39 1.398 -16.451 -4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.020 -14.567 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.704 -14.154 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.006 -14.639 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.547 -16.881 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.591 -17.012 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.291 -18.198 -4.081 1.00 0.00 H new ATOM 636 N LEU A 40 1.123 -19.591 -8.450 1.00 0.00 N ATOM 637 CA LEU A 40 1.270 -20.039 -9.834 1.00 0.00 C ATOM 638 C LEU A 40 1.445 -21.562 -9.903 1.00 0.00 C ATOM 639 O LEU A 40 2.253 -22.071 -10.676 1.00 0.00 O ATOM 640 CB LEU A 40 2.378 -19.258 -10.585 1.00 0.00 C ATOM 641 CG LEU A 40 3.813 -19.176 -10.011 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.914 -18.493 -8.648 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.555 -20.514 -9.930 1.00 0.00 C ATOM 0 H LEU A 40 1.333 -20.324 -7.773 1.00 0.00 H new ATOM 0 HA LEU A 40 0.346 -19.808 -10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.456 -19.690 -11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.023 -18.235 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 40 4.303 -18.552 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.954 -18.481 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.546 -17.470 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.314 -19.041 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.550 -20.354 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.001 -21.199 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.642 -20.943 -10.928 1.00 0.00 H new ATOM 655 N LYS A 41 0.691 -22.310 -9.087 1.00 0.00 N ATOM 656 CA LYS A 41 0.908 -23.742 -8.898 1.00 0.00 C ATOM 657 C LYS A 41 0.531 -24.575 -10.134 1.00 0.00 C ATOM 658 O LYS A 41 -0.504 -25.239 -10.149 1.00 0.00 O ATOM 659 CB LYS A 41 0.175 -24.248 -7.645 1.00 0.00 C ATOM 660 CG LYS A 41 0.520 -23.447 -6.388 1.00 0.00 C ATOM 661 CD LYS A 41 0.052 -24.183 -5.125 1.00 0.00 C ATOM 662 CE LYS A 41 0.506 -23.458 -3.852 1.00 0.00 C ATOM 663 NZ LYS A 41 -0.010 -22.079 -3.788 1.00 0.00 N ATOM 0 H LYS A 41 -0.085 -21.935 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 41 1.980 -23.877 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.901 -24.201 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.426 -25.296 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.597 -23.283 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.050 -22.465 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.035 -24.264 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.447 -25.199 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.166 -24.013 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.595 -23.440 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.159 -21.689 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.477 -21.493 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.031 -22.081 -3.984 1.00 0.00 H new ATOM 677 N GLY A 42 1.395 -24.574 -11.151 1.00 0.00 N ATOM 678 CA GLY A 42 1.328 -25.460 -12.302 1.00 0.00 C ATOM 679 C GLY A 42 1.486 -24.689 -13.610 1.00 0.00 C ATOM 680 O GLY A 42 0.781 -23.712 -13.857 1.00 0.00 O ATOM 0 H GLY A 42 2.186 -23.932 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.110 -26.216 -12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.374 -25.987 -12.302 1.00 0.00 H new ATOM 684 N MET A 43 2.396 -25.156 -14.469 1.00 0.00 N ATOM 685 CA MET A 43 2.567 -24.620 -15.814 1.00 0.00 C ATOM 686 C MET A 43 1.243 -24.710 -16.582 1.00 0.00 C ATOM 687 O MET A 43 0.899 -23.815 -17.346 1.00 0.00 O ATOM 688 CB MET A 43 3.690 -25.392 -16.522 1.00 0.00 C ATOM 689 CG MET A 43 4.149 -24.704 -17.816 1.00 0.00 C ATOM 690 SD MET A 43 4.861 -23.042 -17.653 1.00 0.00 S ATOM 691 CE MET A 43 6.290 -23.380 -16.598 1.00 0.00 C ATOM 0 H MET A 43 3.035 -25.919 -14.246 1.00 0.00 H new ATOM 0 HA MET A 43 2.850 -23.568 -15.769 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.539 -25.493 -15.846 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.345 -26.400 -16.753 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.888 -25.344 -18.297 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.294 -24.643 -18.489 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.917 -22.490 -16.539 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.949 -23.651 -15.599 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.867 -24.203 -17.020 1.00 0.00 H new ATOM 701 N SER A 44 0.494 -25.793 -16.355 1.00 0.00 N ATOM 702 CA SER A 44 -0.872 -25.949 -16.810 1.00 0.00 C ATOM 703 C SER A 44 -1.727 -24.835 -16.214 1.00 0.00 C ATOM 704 O SER A 44 -2.240 -23.990 -16.941 1.00 0.00 O ATOM 705 CB SER A 44 -1.361 -27.315 -16.325 1.00 0.00 C ATOM 706 OG SER A 44 -0.852 -27.543 -15.017 1.00 0.00 O ATOM 0 H SER A 44 0.839 -26.600 -15.836 1.00 0.00 H new ATOM 0 HA SER A 44 -0.939 -25.891 -17.896 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.451 -27.345 -16.317 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.025 -28.099 -17.003 1.00 0.00 H new ATOM 0 HG SER A 44 -1.160 -28.415 -14.694 1.00 0.00 H new ATOM 712 N THR A 45 -1.856 -24.841 -14.885 1.00 0.00 N ATOM 713 CA THR A 45 -2.634 -23.902 -14.087 1.00 0.00 C ATOM 714 C THR A 45 -2.449 -22.444 -14.522 1.00 0.00 C ATOM 715 O THR A 45 -3.400 -21.663 -14.477 1.00 0.00 O ATOM 716 CB THR A 45 -2.258 -24.095 -12.613 1.00 0.00 C ATOM 717 OG1 THR A 45 -2.113 -25.478 -12.356 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.330 -23.521 -11.683 1.00 0.00 C ATOM 0 H THR A 45 -1.392 -25.543 -14.308 1.00 0.00 H new ATOM 0 HA THR A 45 -3.692 -24.115 -14.240 1.00 0.00 H new ATOM 0 HB THR A 45 -1.324 -23.566 -12.422 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.597 -25.605 -11.533 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.032 -23.675 -10.646 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.444 -22.454 -11.874 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.279 -24.025 -11.866 1.00 0.00 H new ATOM 726 N LEU A 46 -1.233 -22.075 -14.946 1.00 0.00 N ATOM 727 CA LEU A 46 -0.932 -20.746 -15.461 1.00 0.00 C ATOM 728 C LEU A 46 -1.957 -20.347 -16.511 1.00 0.00 C ATOM 729 O LEU A 46 -2.404 -19.208 -16.523 1.00 0.00 O ATOM 730 CB LEU A 46 0.467 -20.707 -16.093 1.00 0.00 C ATOM 731 CG LEU A 46 0.856 -19.308 -16.619 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.278 -18.397 -15.461 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.004 -19.464 -17.620 1.00 0.00 C ATOM 0 H LEU A 46 -0.428 -22.701 -14.938 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.966 -20.048 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.202 -21.028 -15.355 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.508 -21.422 -16.915 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.002 -18.849 -17.110 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.549 -17.416 -15.850 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.450 -18.293 -14.759 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.136 -18.833 -14.949 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.290 -18.484 -18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.859 -19.925 -17.125 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.681 -20.095 -18.448 1.00 0.00 H new ATOM 745 N ASP A 47 -2.317 -21.270 -17.400 1.00 0.00 N ATOM 746 CA ASP A 47 -3.276 -21.007 -18.453 1.00 0.00 C ATOM 747 C ASP A 47 -4.586 -20.486 -17.863 1.00 0.00 C ATOM 748 O ASP A 47 -5.087 -19.444 -18.283 1.00 0.00 O ATOM 749 CB ASP A 47 -3.491 -22.289 -19.252 1.00 0.00 C ATOM 750 CG ASP A 47 -4.409 -22.030 -20.440 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.882 -21.535 -21.461 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.619 -22.310 -20.298 1.00 0.00 O ATOM 0 H ASP A 47 -1.947 -22.221 -17.405 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.895 -20.235 -19.121 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.532 -22.671 -19.602 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.925 -23.056 -18.610 1.00 0.00 H new ATOM 757 N GLU A 48 -5.124 -21.194 -16.867 1.00 0.00 N ATOM 758 CA GLU A 48 -6.381 -20.833 -16.231 1.00 0.00 C ATOM 759 C GLU A 48 -6.212 -19.517 -15.473 1.00 0.00 C ATOM 760 O GLU A 48 -7.012 -18.599 -15.644 1.00 0.00 O ATOM 761 CB GLU A 48 -6.861 -21.954 -15.297 1.00 0.00 C ATOM 762 CG GLU A 48 -7.344 -23.204 -16.055 1.00 0.00 C ATOM 763 CD GLU A 48 -6.236 -23.961 -16.785 1.00 0.00 C ATOM 764 OE1 GLU A 48 -5.098 -23.943 -16.269 1.00 0.00 O ATOM 765 OE2 GLU A 48 -6.547 -24.548 -17.841 1.00 0.00 O ATOM 0 H GLU A 48 -4.694 -22.035 -16.482 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.143 -20.699 -16.998 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.048 -22.234 -14.627 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.672 -21.578 -14.674 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.826 -23.880 -15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.103 -22.906 -16.779 1.00 0.00 H new ATOM 772 N LEU A 49 -5.171 -19.423 -14.641 1.00 0.00 N ATOM 773 CA LEU A 49 -4.867 -18.220 -13.873 1.00 0.00 C ATOM 774 C LEU A 49 -4.858 -17.017 -14.820 1.00 0.00 C ATOM 775 O LEU A 49 -5.637 -16.078 -14.660 1.00 0.00 O ATOM 776 CB LEU A 49 -3.530 -18.418 -13.137 1.00 0.00 C ATOM 777 CG LEU A 49 -3.255 -17.420 -11.997 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.011 -17.882 -11.231 1.00 0.00 C ATOM 779 CD2 LEU A 49 -3.021 -15.984 -12.485 1.00 0.00 C ATOM 0 H LEU A 49 -4.513 -20.186 -14.483 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.626 -18.029 -13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.505 -19.428 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.720 -18.348 -13.863 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.143 -17.404 -11.366 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.803 -17.184 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.186 -18.876 -10.819 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.158 -17.915 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.834 -15.335 -11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.160 -15.962 -13.153 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.903 -15.633 -13.020 1.00 0.00 H new ATOM 791 N PHE A 50 -4.004 -17.077 -15.841 1.00 0.00 N ATOM 792 CA PHE A 50 -3.895 -16.067 -16.873 1.00 0.00 C ATOM 793 C PHE A 50 -5.257 -15.776 -17.497 1.00 0.00 C ATOM 794 O PHE A 50 -5.653 -14.621 -17.562 1.00 0.00 O ATOM 795 CB PHE A 50 -2.877 -16.506 -17.926 1.00 0.00 C ATOM 796 CG PHE A 50 -2.375 -15.370 -18.788 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.247 -14.641 -18.372 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.943 -15.117 -20.050 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.666 -13.689 -19.220 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.318 -14.210 -20.923 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.179 -13.501 -20.508 1.00 0.00 C ATOM 0 H PHE A 50 -3.355 -17.853 -15.969 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.542 -15.139 -16.423 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.029 -16.975 -17.427 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.330 -17.264 -18.565 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.826 -14.816 -17.393 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.854 -15.617 -20.346 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.175 -13.102 -18.881 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.715 -14.058 -21.916 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.698 -12.810 -21.184 1.00 0.00 H new ATOM 811 N GLU A 51 -6.000 -16.799 -17.929 1.00 0.00 N ATOM 812 CA GLU A 51 -7.320 -16.609 -18.523 1.00 0.00 C ATOM 813 C GLU A 51 -8.245 -15.809 -17.599 1.00 0.00 C ATOM 814 O GLU A 51 -8.961 -14.918 -18.051 1.00 0.00 O ATOM 815 CB GLU A 51 -7.919 -17.974 -18.901 1.00 0.00 C ATOM 816 CG GLU A 51 -9.247 -17.862 -19.665 1.00 0.00 C ATOM 817 CD GLU A 51 -9.107 -17.107 -20.984 1.00 0.00 C ATOM 818 OE1 GLU A 51 -8.203 -17.483 -21.761 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.909 -16.170 -21.192 1.00 0.00 O ATOM 0 H GLU A 51 -5.704 -17.774 -17.876 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.214 -16.018 -19.433 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.201 -18.522 -19.512 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.077 -18.558 -17.994 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.633 -18.862 -19.863 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.981 -17.356 -19.038 1.00 0.00 H new ATOM 826 N GLU A 52 -8.220 -16.114 -16.302 1.00 0.00 N ATOM 827 CA GLU A 52 -9.054 -15.430 -15.319 1.00 0.00 C ATOM 828 C GLU A 52 -8.565 -14.000 -15.061 1.00 0.00 C ATOM 829 O GLU A 52 -9.312 -13.180 -14.533 1.00 0.00 O ATOM 830 CB GLU A 52 -9.093 -16.235 -14.012 1.00 0.00 C ATOM 831 CG GLU A 52 -9.838 -17.569 -14.170 1.00 0.00 C ATOM 832 CD GLU A 52 -11.321 -17.369 -14.466 1.00 0.00 C ATOM 833 OE1 GLU A 52 -12.014 -16.856 -13.560 1.00 0.00 O ATOM 834 OE2 GLU A 52 -11.733 -17.725 -15.590 1.00 0.00 O ATOM 0 H GLU A 52 -7.623 -16.840 -15.906 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.064 -15.360 -15.723 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.074 -16.428 -13.677 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.577 -15.641 -13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.383 -18.144 -14.976 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.727 -18.155 -13.258 1.00 0.00 H new ATOM 841 N LEU A 53 -7.306 -13.712 -15.391 1.00 0.00 N ATOM 842 CA LEU A 53 -6.655 -12.436 -15.152 1.00 0.00 C ATOM 843 C LEU A 53 -6.846 -11.509 -16.360 1.00 0.00 C ATOM 844 O LEU A 53 -7.389 -10.410 -16.250 1.00 0.00 O ATOM 845 CB LEU A 53 -5.175 -12.755 -14.894 1.00 0.00 C ATOM 846 CG LEU A 53 -4.343 -11.681 -14.191 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.910 -12.228 -14.140 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.386 -10.316 -14.883 1.00 0.00 C ATOM 0 H LEU A 53 -6.695 -14.389 -15.848 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.081 -11.910 -14.298 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.124 -13.666 -14.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.704 -12.974 -15.852 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.752 -11.492 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.261 -11.504 -13.647 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.898 -13.165 -13.583 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.552 -12.404 -15.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.773 -9.607 -14.327 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.001 -10.411 -15.898 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.415 -9.958 -14.917 1.00 0.00 H new ATOM 860 N ASP A 54 -6.385 -11.960 -17.527 1.00 0.00 N ATOM 861 CA ASP A 54 -6.212 -11.186 -18.747 1.00 0.00 C ATOM 862 C ASP A 54 -7.521 -10.960 -19.513 1.00 0.00 C ATOM 863 O ASP A 54 -7.560 -11.078 -20.740 1.00 0.00 O ATOM 864 CB ASP A 54 -5.189 -11.929 -19.625 1.00 0.00 C ATOM 865 CG ASP A 54 -4.540 -11.034 -20.674 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.908 -9.843 -20.734 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.669 -11.552 -21.403 1.00 0.00 O ATOM 0 H ASP A 54 -6.107 -12.934 -17.648 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.858 -10.190 -18.481 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.413 -12.354 -18.988 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.684 -12.763 -20.123 1.00 0.00 H new ATOM 872 N LYS A 55 -8.599 -10.628 -18.799 1.00 0.00 N ATOM 873 CA LYS A 55 -9.955 -10.583 -19.335 1.00 0.00 C ATOM 874 C LYS A 55 -10.217 -9.289 -20.119 1.00 0.00 C ATOM 875 O LYS A 55 -11.145 -8.546 -19.810 1.00 0.00 O ATOM 876 CB LYS A 55 -10.961 -10.776 -18.191 1.00 0.00 C ATOM 877 CG LYS A 55 -10.748 -12.126 -17.490 1.00 0.00 C ATOM 878 CD LYS A 55 -11.842 -12.420 -16.456 1.00 0.00 C ATOM 879 CE LYS A 55 -11.880 -11.363 -15.345 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.705 -11.812 -14.211 1.00 0.00 N ATOM 0 H LYS A 55 -8.549 -10.378 -17.811 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.078 -11.397 -20.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.855 -9.967 -17.469 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.977 -10.722 -18.583 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.731 -12.922 -18.235 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.775 -12.129 -16.998 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.811 -12.458 -16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.671 -13.403 -16.016 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.866 -11.156 -15.001 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.279 -10.429 -15.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.713 -11.077 -13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.677 -11.986 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.309 -12.690 -13.820 1.00 0.00 H new ATOM 894 N ALA A 56 -9.406 -9.050 -21.151 1.00 0.00 N ATOM 895 CA ALA A 56 -9.500 -7.956 -22.111 1.00 0.00 C ATOM 896 C ALA A 56 -8.314 -8.066 -23.067 1.00 0.00 C ATOM 897 O ALA A 56 -8.487 -8.120 -24.281 1.00 0.00 O ATOM 898 CB ALA A 56 -9.506 -6.582 -21.425 1.00 0.00 C ATOM 0 H ALA A 56 -8.612 -9.660 -21.349 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.443 -8.038 -22.651 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.577 -5.799 -22.180 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.360 -6.515 -20.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.585 -6.455 -20.856 1.00 0.00 H new ATOM 904 N GLY A 57 -7.105 -8.117 -22.504 1.00 0.00 N ATOM 905 CA GLY A 57 -5.869 -8.226 -23.259 1.00 0.00 C ATOM 906 C GLY A 57 -5.745 -9.593 -23.930 1.00 0.00 C ATOM 907 O GLY A 57 -5.202 -9.680 -25.031 1.00 0.00 O ATOM 0 H GLY A 57 -6.962 -8.083 -21.495 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.833 -7.443 -24.016 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.020 -8.067 -22.595 1.00 0.00 H new ATOM 911 N ASP A 58 -6.247 -10.653 -23.281 1.00 0.00 N ATOM 912 CA ASP A 58 -6.317 -12.029 -23.775 1.00 0.00 C ATOM 913 C ASP A 58 -4.943 -12.696 -23.904 1.00 0.00 C ATOM 914 O ASP A 58 -4.704 -13.734 -23.293 1.00 0.00 O ATOM 915 CB ASP A 58 -7.124 -12.114 -25.078 1.00 0.00 C ATOM 916 CG ASP A 58 -7.263 -13.562 -25.538 1.00 0.00 C ATOM 917 OD1 ASP A 58 -8.214 -14.220 -25.063 1.00 0.00 O ATOM 918 OD2 ASP A 58 -6.414 -13.983 -26.353 1.00 0.00 O ATOM 0 H ASP A 58 -6.637 -10.564 -22.343 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.850 -12.602 -23.016 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.112 -11.679 -24.928 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.632 -11.527 -25.854 1.00 0.00 H new ATOM 923 N GLY A 59 -4.056 -12.122 -24.719 1.00 0.00 N ATOM 924 CA GLY A 59 -2.725 -12.643 -24.989 1.00 0.00 C ATOM 925 C GLY A 59 -1.681 -12.099 -24.015 1.00 0.00 C ATOM 926 O GLY A 59 -0.757 -12.826 -23.651 1.00 0.00 O ATOM 0 H GLY A 59 -4.255 -11.257 -25.221 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.744 -13.731 -24.928 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.437 -12.386 -26.008 1.00 0.00 H new ATOM 930 N GLU A 60 -1.797 -10.823 -23.625 1.00 0.00 N ATOM 931 CA GLU A 60 -0.859 -10.162 -22.729 1.00 0.00 C ATOM 932 C GLU A 60 -1.616 -9.297 -21.713 1.00 0.00 C ATOM 933 O GLU A 60 -2.568 -8.609 -22.070 1.00 0.00 O ATOM 934 CB GLU A 60 0.161 -9.344 -23.533 1.00 0.00 C ATOM 935 CG GLU A 60 0.848 -10.136 -24.653 1.00 0.00 C ATOM 936 CD GLU A 60 2.086 -9.403 -25.156 1.00 0.00 C ATOM 937 OE1 GLU A 60 3.129 -9.530 -24.478 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.966 -8.727 -26.201 1.00 0.00 O ATOM 0 H GLU A 60 -2.559 -10.218 -23.932 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.304 -10.915 -22.170 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.342 -8.480 -23.968 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.922 -8.961 -22.853 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.129 -11.123 -24.286 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.151 -10.288 -25.477 1.00 0.00 H new ATOM 945 N VAL A 61 -1.176 -9.327 -20.453 1.00 0.00 N ATOM 946 CA VAL A 61 -1.804 -8.718 -19.288 1.00 0.00 C ATOM 947 C VAL A 61 -1.308 -7.283 -19.123 1.00 0.00 C ATOM 948 O VAL A 61 -0.122 -7.072 -18.881 1.00 0.00 O ATOM 949 CB VAL A 61 -1.438 -9.567 -18.053 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.775 -8.885 -16.722 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.181 -10.900 -18.106 1.00 0.00 C ATOM 0 H VAL A 61 -0.313 -9.811 -20.208 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.887 -8.687 -19.407 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.358 -9.707 -18.091 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.491 -9.538 -15.897 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.228 -7.945 -16.646 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.846 -8.686 -16.676 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.920 -11.497 -17.232 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.256 -10.718 -18.113 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.898 -11.438 -19.011 1.00 0.00 H new ATOM 961 N SER A 62 -2.209 -6.303 -19.235 1.00 0.00 N ATOM 962 CA SER A 62 -1.916 -4.896 -18.967 1.00 0.00 C ATOM 963 C SER A 62 -1.693 -4.645 -17.475 1.00 0.00 C ATOM 964 O SER A 62 -2.033 -5.482 -16.645 1.00 0.00 O ATOM 965 CB SER A 62 -3.081 -4.042 -19.473 1.00 0.00 C ATOM 966 OG SER A 62 -4.262 -4.399 -18.778 1.00 0.00 O ATOM 0 H SER A 62 -3.175 -6.469 -19.518 1.00 0.00 H new ATOM 0 HA SER A 62 -0.997 -4.625 -19.487 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.863 -2.985 -19.323 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.217 -4.191 -20.544 1.00 0.00 H new ATOM 0 HG SER A 62 -4.623 -5.230 -19.151 1.00 0.00 H new ATOM 972 N PHE A 63 -1.185 -3.460 -17.124 1.00 0.00 N ATOM 973 CA PHE A 63 -1.124 -2.996 -15.745 1.00 0.00 C ATOM 974 C PHE A 63 -2.538 -2.903 -15.170 1.00 0.00 C ATOM 975 O PHE A 63 -2.773 -3.165 -13.991 1.00 0.00 O ATOM 976 CB PHE A 63 -0.435 -1.626 -15.674 1.00 0.00 C ATOM 977 CG PHE A 63 -0.346 -1.051 -14.272 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.175 -1.830 -13.221 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.901 0.213 -13.994 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.067 -1.385 -11.892 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.964 0.679 -12.669 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.505 -0.131 -11.616 1.00 0.00 C ATOM 0 H PHE A 63 -0.803 -2.795 -17.797 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.544 -3.707 -15.157 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.571 -1.715 -16.083 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.977 -0.925 -16.309 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.659 -2.771 -13.436 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.279 0.825 -14.800 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.423 -2.006 -11.084 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.365 1.660 -12.460 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.592 0.210 -10.595 1.00 0.00 H new ATOM 992 N GLU A 64 -3.494 -2.517 -16.015 1.00 0.00 N ATOM 993 CA GLU A 64 -4.897 -2.406 -15.658 1.00 0.00 C ATOM 994 C GLU A 64 -5.400 -3.768 -15.176 1.00 0.00 C ATOM 995 O GLU A 64 -5.936 -3.887 -14.078 1.00 0.00 O ATOM 996 CB GLU A 64 -5.688 -1.852 -16.855 1.00 0.00 C ATOM 997 CG GLU A 64 -5.390 -0.366 -17.138 1.00 0.00 C ATOM 998 CD GLU A 64 -3.921 -0.056 -17.439 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.408 -0.592 -18.447 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.320 0.686 -16.633 1.00 0.00 O ATOM 0 H GLU A 64 -3.304 -2.269 -16.986 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.040 -1.704 -14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.452 -2.440 -17.742 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.755 -1.973 -16.666 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.997 -0.042 -17.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.703 0.224 -16.277 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.174 -4.811 -15.974 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.530 -6.168 -15.581 1.00 0.00 C ATOM 1009 C GLU A 65 -4.679 -6.615 -14.391 1.00 0.00 C ATOM 1010 O GLU A 65 -5.167 -7.250 -13.458 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.356 -7.085 -16.789 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.401 -6.716 -17.849 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.041 -7.278 -19.212 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.962 -6.887 -19.711 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.859 -8.062 -19.735 1.00 0.00 O ATOM 0 H GLU A 65 -4.745 -4.739 -16.897 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.570 -6.212 -15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.351 -6.982 -17.199 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.473 -8.127 -16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.377 -7.095 -17.545 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.486 -5.631 -17.914 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.394 -6.270 -14.397 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.497 -6.648 -13.323 1.00 0.00 C ATOM 1024 C PHE A 66 -2.957 -6.077 -11.983 1.00 0.00 C ATOM 1025 O PHE A 66 -2.802 -6.728 -10.968 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.055 -6.261 -13.626 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.063 -6.887 -12.667 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.459 -8.170 -12.913 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.352 -6.176 -11.529 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.498 -8.671 -12.112 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.387 -6.677 -10.726 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.987 -7.908 -11.038 1.00 0.00 C ATOM 0 H PHE A 66 -2.955 -5.727 -15.140 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.529 -7.735 -13.246 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.809 -6.563 -14.644 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.959 -5.176 -13.584 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.061 -8.770 -13.718 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.126 -5.242 -11.272 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.921 -9.642 -12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.723 -6.116 -9.867 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.822 -8.267 -10.454 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.556 -4.891 -11.928 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.177 -4.430 -10.687 1.00 0.00 C ATOM 1044 C GLN A 67 -5.286 -5.387 -10.216 1.00 0.00 C ATOM 1045 O GLN A 67 -5.426 -5.620 -9.015 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.665 -2.990 -10.848 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.463 -2.037 -10.832 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.796 -0.717 -11.510 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -4.060 0.288 -10.858 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.776 -0.720 -12.835 1.00 0.00 N ATOM 0 H GLN A 67 -3.625 -4.241 -12.711 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.426 -4.436 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.214 -2.884 -11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.354 -2.736 -10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.156 -1.852 -9.803 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.618 -2.505 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.551 -1.577 -13.340 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.985 0.135 -13.350 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.042 -6.004 -11.131 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.948 -7.084 -10.741 1.00 0.00 C ATOM 1061 C VAL A 68 -6.118 -8.243 -10.174 1.00 0.00 C ATOM 1062 O VAL A 68 -6.463 -8.809 -9.136 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.868 -7.524 -11.897 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.946 -8.487 -11.383 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.556 -6.317 -12.551 1.00 0.00 C ATOM 0 H VAL A 68 -6.044 -5.779 -12.126 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.623 -6.722 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.245 -8.023 -12.639 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.588 -8.789 -12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.471 -9.368 -10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.546 -7.989 -10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.198 -6.660 -13.363 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.158 -5.795 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.801 -5.639 -12.948 1.00 0.00 H new ATOM 1075 N LEU A 69 -4.988 -8.571 -10.811 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.030 -9.502 -10.221 1.00 0.00 C ATOM 1077 C LEU A 69 -3.639 -9.044 -8.807 1.00 0.00 C ATOM 1078 O LEU A 69 -3.629 -9.876 -7.908 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.840 -9.791 -11.161 1.00 0.00 C ATOM 1080 CG LEU A 69 -1.851 -10.896 -10.742 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -0.787 -10.376 -9.770 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -2.543 -12.163 -10.228 1.00 0.00 C ATOM 0 H LEU A 69 -4.720 -8.208 -11.726 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.509 -10.473 -10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.241 -10.053 -12.140 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.277 -8.866 -11.284 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.331 -11.195 -11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.112 -11.188 -9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.221 -9.575 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.271 -9.994 -8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.791 -12.901 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.150 -11.918 -9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.181 -12.573 -11.011 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.375 -7.752 -8.567 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.044 -7.237 -7.241 1.00 0.00 C ATOM 1096 C VAL A 70 -4.149 -7.596 -6.240 1.00 0.00 C ATOM 1097 O VAL A 70 -3.869 -8.069 -5.137 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.674 -5.743 -7.217 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.350 -5.343 -5.770 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.425 -5.469 -8.068 1.00 0.00 C ATOM 0 H VAL A 70 -3.386 -7.036 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.126 -7.736 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.513 -5.174 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.085 -4.286 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.222 -5.520 -5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.513 -5.939 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.187 -4.406 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.585 -6.042 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.616 -5.764 -9.100 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.413 -7.407 -6.629 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.526 -7.859 -5.803 1.00 0.00 C ATOM 1112 C LYS A 71 -6.405 -9.364 -5.530 1.00 0.00 C ATOM 1113 O LYS A 71 -6.462 -9.784 -4.376 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.879 -7.496 -6.432 1.00 0.00 C ATOM 1115 CG LYS A 71 -8.033 -5.981 -6.616 1.00 0.00 C ATOM 1116 CD LYS A 71 -9.408 -5.660 -7.215 1.00 0.00 C ATOM 1117 CE LYS A 71 -9.544 -4.171 -7.555 1.00 0.00 C ATOM 1118 NZ LYS A 71 -9.430 -3.318 -6.358 1.00 0.00 N ATOM 0 H LYS A 71 -5.685 -6.950 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.480 -7.338 -4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.975 -7.991 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.685 -7.869 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.919 -5.477 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.246 -5.604 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.560 -6.255 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.188 -5.945 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.774 -3.892 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.507 -3.995 -8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.612 -2.328 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.126 -3.622 -5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.472 -3.401 -5.962 1.00 0.00 H new ATOM 1132 N LYS A 72 -6.210 -10.178 -6.571 1.00 0.00 N ATOM 1133 CA LYS A 72 -6.110 -11.629 -6.422 1.00 0.00 C ATOM 1134 C LYS A 72 -4.966 -12.046 -5.479 1.00 0.00 C ATOM 1135 O LYS A 72 -5.180 -12.865 -4.589 1.00 0.00 O ATOM 1136 CB LYS A 72 -6.005 -12.311 -7.796 1.00 0.00 C ATOM 1137 CG LYS A 72 -7.288 -12.122 -8.621 1.00 0.00 C ATOM 1138 CD LYS A 72 -7.160 -12.541 -10.095 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.869 -14.034 -10.307 1.00 0.00 C ATOM 1140 NZ LYS A 72 -5.431 -14.347 -10.213 1.00 0.00 N ATOM 0 H LYS A 72 -6.118 -9.851 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.029 -11.973 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.156 -11.900 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.812 -13.375 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.090 -12.698 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.583 -11.073 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.084 -12.286 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.363 -11.959 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.414 -14.616 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.241 -14.338 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.113 -14.790 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.895 -13.471 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.269 -15.002 -9.422 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.757 -11.497 -5.648 1.00 0.00 N ATOM 1155 CA ILE A 73 -2.630 -11.771 -4.751 1.00 0.00 C ATOM 1156 C ILE A 73 -2.917 -11.247 -3.336 1.00 0.00 C ATOM 1157 O ILE A 73 -2.379 -11.782 -2.367 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.285 -11.234 -5.300 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -1.308 -9.711 -5.401 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -0.942 -11.846 -6.668 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -0.021 -9.057 -5.914 1.00 0.00 C ATOM 0 H ILE A 73 -3.534 -10.853 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.522 -12.854 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.510 -11.531 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.127 -9.422 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.532 -9.304 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.008 -11.444 -7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.865 -12.929 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.726 -11.600 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.150 -7.975 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.804 -9.305 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.200 -9.425 -6.916 1.00 0.00 H new ATOM 1173 N SER A 74 -3.733 -10.190 -3.213 1.00 0.00 N ATOM 1174 CA SER A 74 -4.150 -9.610 -1.940 1.00 0.00 C ATOM 1175 C SER A 74 -2.945 -9.165 -1.106 1.00 0.00 C ATOM 1176 O SER A 74 -2.880 -9.434 0.092 1.00 0.00 O ATOM 1177 CB SER A 74 -5.044 -10.592 -1.167 1.00 0.00 C ATOM 1178 OG SER A 74 -6.229 -10.876 -1.884 1.00 0.00 O ATOM 0 H SER A 74 -4.128 -9.707 -4.020 1.00 0.00 H new ATOM 0 HA SER A 74 -4.738 -8.716 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.498 -11.517 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.296 -10.170 -0.194 1.00 0.00 H new ATOM 0 HG SER A 74 -6.212 -10.405 -2.743 1.00 0.00 H new ATOM 1184 N GLN A 75 -1.996 -8.474 -1.741 1.00 0.00 N ATOM 1185 CA GLN A 75 -0.772 -7.991 -1.114 1.00 0.00 C ATOM 1186 C GLN A 75 -0.121 -6.942 -2.017 1.00 0.00 C ATOM 1187 O GLN A 75 0.550 -6.039 -1.470 1.00 0.00 O ATOM 1188 CB GLN A 75 0.175 -9.165 -0.811 1.00 0.00 C ATOM 1189 CG GLN A 75 0.617 -9.924 -2.069 1.00 0.00 C ATOM 1190 CD GLN A 75 1.169 -11.302 -1.721 1.00 0.00 C ATOM 1191 OE1 GLN A 75 2.372 -11.476 -1.561 1.00 0.00 O ATOM 1192 NE2 GLN A 75 0.293 -12.294 -1.598 1.00 0.00 N ATOM 1193 OXT GLN A 75 -0.320 -7.060 -3.246 1.00 0.00 O ATOM 0 H GLN A 75 -2.063 -8.231 -2.729 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.005 -7.518 -0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.057 -8.788 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.321 -9.858 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.229 -10.030 -2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.378 -9.348 -2.595 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.702 -12.116 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.615 -13.233 -1.364 1.00 0.00 H new TER 1202 GLN A 75