USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 4 THR OG1 : rot -51:sc= 0.659 USER MOD Set 1.2: A 7 THR OG1 : rot 120:sc= 1.03 USER MOD Single : A 3 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -48:sc= -1.55 USER MOD Single : A 15 SER OG : rot 119:sc= 0.906 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -0.27 (180deg=-0.271) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0719! USER MOD Single : A 36 SER OG : rot 130:sc= -0.432 USER MOD Single : A 38 ASN : amide:sc= -0.542 K(o=-0.54,f=-4.3!) USER MOD Single : A 50 HIS : no HE2:sc= -2.94 K(o=-2.9,f=-4.3!) USER MOD Single : A 53 THR OG1 : rot -83:sc= 1.87 USER MOD Single : A 57 SER OG : rot -39:sc= 0.336 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.421 -15.720 -9.284 1.00 0.00 N ATOM 38 CA TYR A 3 -15.072 -14.636 -8.366 1.00 0.00 C ATOM 39 C TYR A 3 -15.891 -14.753 -7.093 1.00 0.00 C ATOM 40 O TYR A 3 -17.105 -14.950 -7.147 1.00 0.00 O ATOM 41 CB TYR A 3 -15.361 -13.293 -9.031 1.00 0.00 C ATOM 42 CG TYR A 3 -14.533 -13.178 -10.283 1.00 0.00 C ATOM 43 CD1 TYR A 3 -15.017 -13.709 -11.482 1.00 0.00 C ATOM 44 CD2 TYR A 3 -13.282 -12.555 -10.247 1.00 0.00 C ATOM 45 CE1 TYR A 3 -14.252 -13.618 -12.647 1.00 0.00 C ATOM 46 CE2 TYR A 3 -12.517 -12.465 -11.412 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.001 -12.995 -12.613 1.00 0.00 C ATOM 48 OH TYR A 3 -12.245 -12.903 -13.763 1.00 0.00 O ATOM 0 HA TYR A 3 -14.012 -14.704 -8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.421 -13.213 -9.272 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.126 -12.476 -8.348 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.984 -14.190 -11.508 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -12.908 -12.144 -9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.627 -14.028 -13.573 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.550 -11.985 -11.386 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.838 -12.858 -14.542 1.00 0.00 H new ATOM 58 N THR A 4 -15.228 -14.633 -5.943 1.00 0.00 N ATOM 59 CA THR A 4 -15.923 -14.732 -4.656 1.00 0.00 C ATOM 60 C THR A 4 -15.454 -13.621 -3.712 1.00 0.00 C ATOM 61 O THR A 4 -14.350 -13.098 -3.870 1.00 0.00 O ATOM 62 CB THR A 4 -15.657 -16.100 -4.013 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.531 -16.006 -3.153 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.387 -17.139 -5.101 1.00 0.00 C ATOM 0 H THR A 4 -14.224 -14.469 -5.874 1.00 0.00 H new ATOM 0 HA THR A 4 -16.993 -14.622 -4.833 1.00 0.00 H new ATOM 0 HB THR A 4 -16.531 -16.405 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.783 -15.599 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.199 -18.108 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.254 -17.212 -5.758 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.515 -16.839 -5.683 1.00 0.00 H new ATOM 72 N PRO A 5 -16.253 -13.253 -2.732 1.00 0.00 N ATOM 73 CA PRO A 5 -15.871 -12.184 -1.761 1.00 0.00 C ATOM 74 C PRO A 5 -14.493 -12.410 -1.140 1.00 0.00 C ATOM 75 O PRO A 5 -13.772 -11.454 -0.863 1.00 0.00 O ATOM 76 CB PRO A 5 -16.965 -12.250 -0.681 1.00 0.00 C ATOM 77 CG PRO A 5 -18.149 -12.870 -1.350 1.00 0.00 C ATOM 78 CD PRO A 5 -17.601 -13.795 -2.443 1.00 0.00 C ATOM 0 HA PRO A 5 -15.801 -11.213 -2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.639 -12.846 0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.204 -11.256 -0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.749 -13.431 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.796 -12.105 -1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.550 -14.829 -2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.234 -13.783 -3.330 1.00 0.00 H new ATOM 86 N ASP A 6 -14.139 -13.676 -0.903 1.00 0.00 N ATOM 87 CA ASP A 6 -12.849 -14.007 -0.293 1.00 0.00 C ATOM 88 C ASP A 6 -12.207 -15.173 -1.027 1.00 0.00 C ATOM 89 O ASP A 6 -12.512 -16.333 -0.751 1.00 0.00 O ATOM 90 CB ASP A 6 -13.055 -14.385 1.174 1.00 0.00 C ATOM 91 CG ASP A 6 -13.444 -13.151 1.982 1.00 0.00 C ATOM 92 OD1 ASP A 6 -13.348 -12.060 1.444 1.00 0.00 O ATOM 93 OD2 ASP A 6 -13.834 -13.316 3.125 1.00 0.00 O ATOM 0 H ASP A 6 -14.723 -14.483 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.195 -13.138 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.833 -15.144 1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.141 -14.821 1.578 1.00 0.00 H new ATOM 98 N THR A 7 -11.321 -14.861 -1.967 1.00 0.00 N ATOM 99 CA THR A 7 -10.641 -15.900 -2.744 1.00 0.00 C ATOM 100 C THR A 7 -9.138 -15.627 -2.767 1.00 0.00 C ATOM 101 O THR A 7 -8.705 -14.514 -3.067 1.00 0.00 O ATOM 102 CB THR A 7 -11.206 -15.913 -4.178 1.00 0.00 C ATOM 103 OG1 THR A 7 -12.515 -15.367 -4.165 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.282 -17.349 -4.714 1.00 0.00 C ATOM 0 H THR A 7 -11.056 -13.907 -2.211 1.00 0.00 H new ATOM 0 HA THR A 7 -10.810 -16.874 -2.285 1.00 0.00 H new ATOM 0 HB THR A 7 -10.549 -15.325 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.545 -14.576 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.683 -17.338 -5.727 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.284 -17.787 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.933 -17.943 -4.072 1.00 0.00 H new ATOM 112 N ALA A 8 -8.350 -16.651 -2.463 1.00 0.00 N ATOM 113 CA ALA A 8 -6.894 -16.516 -2.466 1.00 0.00 C ATOM 114 C ALA A 8 -6.359 -16.851 -3.847 1.00 0.00 C ATOM 115 O ALA A 8 -6.271 -18.018 -4.223 1.00 0.00 O ATOM 116 CB ALA A 8 -6.279 -17.464 -1.435 1.00 0.00 C ATOM 0 H ALA A 8 -8.689 -17.580 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.629 -15.490 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.194 -17.357 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.660 -17.220 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.544 -18.492 -1.682 1.00 0.00 H new ATOM 122 N TRP A 9 -6.018 -15.817 -4.611 1.00 0.00 N ATOM 123 CA TRP A 9 -5.504 -16.003 -5.970 1.00 0.00 C ATOM 124 C TRP A 9 -3.994 -15.805 -5.989 1.00 0.00 C ATOM 125 O TRP A 9 -3.458 -14.963 -5.270 1.00 0.00 O ATOM 126 CB TRP A 9 -6.169 -14.995 -6.925 1.00 0.00 C ATOM 127 CG TRP A 9 -7.539 -15.466 -7.323 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.290 -16.359 -6.640 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.328 -15.087 -8.492 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.481 -16.551 -7.306 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.554 -15.789 -8.450 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.106 -14.210 -9.569 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.520 -15.634 -9.436 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.081 -14.049 -10.569 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.289 -14.759 -10.500 1.00 0.00 C ATOM 0 H TRP A 9 -6.087 -14.843 -4.316 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.736 -17.016 -6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.240 -14.021 -6.442 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.551 -14.866 -7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.002 -16.844 -5.719 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.218 -17.181 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.180 -13.657 -9.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.446 -16.188 -9.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -8.899 -13.376 -11.394 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.038 -14.629 -11.267 1.00 0.00 H new ATOM 146 N LYS A 10 -3.317 -16.587 -6.824 1.00 0.00 N ATOM 147 CA LYS A 10 -1.863 -16.496 -6.949 1.00 0.00 C ATOM 148 C LYS A 10 -1.510 -15.620 -8.139 1.00 0.00 C ATOM 149 O LYS A 10 -2.166 -15.689 -9.173 1.00 0.00 O ATOM 150 CB LYS A 10 -1.271 -17.884 -7.156 1.00 0.00 C ATOM 151 CG LYS A 10 0.256 -17.805 -7.081 1.00 0.00 C ATOM 152 CD LYS A 10 0.872 -19.173 -7.400 1.00 0.00 C ATOM 153 CE LYS A 10 0.591 -20.166 -6.269 1.00 0.00 C ATOM 154 NZ LYS A 10 1.504 -21.335 -6.411 1.00 0.00 N ATOM 0 H LYS A 10 -3.749 -17.290 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.454 -16.062 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.648 -18.569 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.578 -18.281 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.624 -17.059 -7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.563 -17.483 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.462 -19.553 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.948 -19.070 -7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.741 -19.687 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.448 -20.493 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.319 -22.015 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.340 -21.794 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.491 -21.013 -6.357 1.00 0.00 H new ATOM 168 N ILE A 11 -0.476 -14.799 -7.985 1.00 0.00 N ATOM 169 CA ILE A 11 -0.040 -13.900 -9.055 1.00 0.00 C ATOM 170 C ILE A 11 1.116 -14.522 -9.830 1.00 0.00 C ATOM 171 O ILE A 11 2.155 -14.842 -9.255 1.00 0.00 O ATOM 172 CB ILE A 11 0.424 -12.568 -8.454 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.611 -12.062 -7.452 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.577 -11.531 -9.565 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.041 -10.865 -6.686 1.00 0.00 C ATOM 0 H ILE A 11 0.078 -14.736 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.879 -13.731 -9.730 1.00 0.00 H new ATOM 0 HB ILE A 11 1.379 -12.722 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.524 -11.773 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.878 -12.858 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.907 -10.585 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.315 -11.879 -10.288 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.381 -11.389 -10.064 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.781 -10.505 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.860 -11.169 -6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.204 -10.067 -7.387 1.00 0.00 H new ATOM 187 N THR A 12 0.933 -14.690 -11.142 1.00 0.00 N ATOM 188 CA THR A 12 1.979 -15.274 -11.988 1.00 0.00 C ATOM 189 C THR A 12 2.574 -14.212 -12.910 1.00 0.00 C ATOM 190 O THR A 12 3.793 -14.121 -13.062 1.00 0.00 O ATOM 191 CB THR A 12 1.384 -16.403 -12.827 1.00 0.00 C ATOM 192 OG1 THR A 12 0.529 -15.850 -13.811 1.00 0.00 O ATOM 193 CG2 THR A 12 0.580 -17.342 -11.926 1.00 0.00 C ATOM 0 H THR A 12 0.080 -14.433 -11.638 1.00 0.00 H new ATOM 0 HA THR A 12 2.770 -15.667 -11.349 1.00 0.00 H new ATOM 0 HB THR A 12 2.186 -16.963 -13.308 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.076 -15.203 -13.392 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.156 -18.147 -12.526 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.235 -17.764 -11.163 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.224 -16.785 -11.446 1.00 0.00 H new ATOM 201 N GLY A 13 1.705 -13.407 -13.517 1.00 0.00 N ATOM 202 CA GLY A 13 2.154 -12.350 -14.420 1.00 0.00 C ATOM 203 C GLY A 13 0.987 -11.773 -15.215 1.00 0.00 C ATOM 204 O GLY A 13 -0.160 -12.187 -15.045 1.00 0.00 O ATOM 0 H GLY A 13 0.693 -13.465 -13.401 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.634 -11.557 -13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.903 -12.747 -15.105 1.00 0.00 H new ATOM 208 N PHE A 14 1.289 -10.808 -16.082 1.00 0.00 N ATOM 209 CA PHE A 14 0.265 -10.166 -16.907 1.00 0.00 C ATOM 210 C PHE A 14 0.226 -10.792 -18.303 1.00 0.00 C ATOM 211 O PHE A 14 1.236 -11.297 -18.796 1.00 0.00 O ATOM 212 CB PHE A 14 0.563 -8.668 -17.023 1.00 0.00 C ATOM 213 CG PHE A 14 2.053 -8.454 -17.098 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.795 -8.287 -15.923 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.690 -8.409 -18.341 1.00 0.00 C ATOM 216 CE1 PHE A 14 4.176 -8.077 -15.991 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.072 -8.197 -18.412 1.00 0.00 C ATOM 218 CZ PHE A 14 4.815 -8.030 -17.236 1.00 0.00 C ATOM 0 H PHE A 14 2.233 -10.453 -16.232 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.706 -10.311 -16.433 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.081 -8.259 -17.911 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.152 -8.137 -16.164 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.301 -8.320 -14.963 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.116 -8.538 -19.247 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.749 -7.951 -15.084 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.565 -8.162 -19.372 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.881 -7.865 -17.290 1.00 0.00 H new ATOM 228 N SER A 15 -0.944 -10.746 -18.935 1.00 0.00 N ATOM 229 CA SER A 15 -1.109 -11.301 -20.278 1.00 0.00 C ATOM 230 C SER A 15 -0.583 -10.330 -21.332 1.00 0.00 C ATOM 231 O SER A 15 -0.270 -9.182 -21.027 1.00 0.00 O ATOM 232 CB SER A 15 -2.586 -11.611 -20.536 1.00 0.00 C ATOM 233 OG SER A 15 -2.871 -12.925 -20.075 1.00 0.00 O ATOM 0 H SER A 15 -1.789 -10.332 -18.542 1.00 0.00 H new ATOM 0 HA SER A 15 -0.533 -12.224 -20.345 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.218 -10.887 -20.022 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.807 -11.529 -21.600 1.00 0.00 H new ATOM 0 HG SER A 15 -3.556 -12.885 -19.376 1.00 0.00 H new ATOM 239 N ARG A 16 -0.485 -10.800 -22.567 1.00 0.00 N ATOM 240 CA ARG A 16 0.001 -9.963 -23.656 1.00 0.00 C ATOM 241 C ARG A 16 -1.007 -8.863 -23.978 1.00 0.00 C ATOM 242 O ARG A 16 -0.633 -7.721 -24.244 1.00 0.00 O ATOM 243 CB ARG A 16 0.243 -10.818 -24.897 1.00 0.00 C ATOM 244 CG ARG A 16 1.456 -11.718 -24.662 1.00 0.00 C ATOM 245 CD ARG A 16 1.633 -12.655 -25.856 1.00 0.00 C ATOM 246 NE ARG A 16 1.911 -11.883 -27.063 1.00 0.00 N ATOM 247 CZ ARG A 16 3.150 -11.514 -27.378 1.00 0.00 C ATOM 248 NH1 ARG A 16 4.147 -11.837 -26.599 1.00 0.00 N ATOM 249 NH2 ARG A 16 3.368 -10.827 -28.465 1.00 0.00 N ATOM 0 H ARG A 16 -0.734 -11.751 -22.840 1.00 0.00 H new ATOM 0 HA ARG A 16 0.937 -9.499 -23.346 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.637 -11.424 -25.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.412 -10.180 -25.765 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.351 -11.112 -24.526 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.321 -12.297 -23.748 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.450 -13.351 -25.664 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.732 -13.252 -25.996 1.00 0.00 H new ATOM 0 HE ARG A 16 1.140 -11.621 -27.677 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.976 -12.373 -25.748 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.096 -11.554 -26.842 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.589 -10.573 -29.073 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.317 -10.544 -28.707 1.00 0.00 H new ATOM 263 N GLU A 17 -2.288 -9.219 -23.943 1.00 0.00 N ATOM 264 CA GLU A 17 -3.349 -8.267 -24.226 1.00 0.00 C ATOM 265 C GLU A 17 -3.394 -7.181 -23.163 1.00 0.00 C ATOM 266 O GLU A 17 -4.038 -6.147 -23.345 1.00 0.00 O ATOM 267 CB GLU A 17 -4.699 -8.985 -24.264 1.00 0.00 C ATOM 268 CG GLU A 17 -4.788 -9.868 -25.511 1.00 0.00 C ATOM 269 CD GLU A 17 -4.839 -8.999 -26.764 1.00 0.00 C ATOM 270 OE1 GLU A 17 -5.205 -7.841 -26.645 1.00 0.00 O ATOM 271 OE2 GLU A 17 -4.510 -9.505 -27.825 1.00 0.00 O ATOM 0 H GLU A 17 -2.613 -10.160 -23.721 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.146 -7.810 -25.194 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.822 -9.594 -23.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.508 -8.255 -24.267 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.927 -10.535 -25.556 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.677 -10.497 -25.458 1.00 0.00 H new ATOM 278 N ILE A 18 -2.717 -7.425 -22.047 1.00 0.00 N ATOM 279 CA ILE A 18 -2.696 -6.461 -20.952 1.00 0.00 C ATOM 280 C ILE A 18 -2.530 -5.044 -21.492 1.00 0.00 C ATOM 281 O ILE A 18 -1.876 -4.837 -22.515 1.00 0.00 O ATOM 282 CB ILE A 18 -1.544 -6.783 -19.997 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.626 -5.895 -18.750 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.210 -6.526 -20.707 1.00 0.00 C ATOM 285 CD1 ILE A 18 -2.905 -6.189 -17.950 1.00 0.00 C ATOM 0 H ILE A 18 -2.179 -8.275 -21.876 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.642 -6.526 -20.415 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.614 -7.829 -19.698 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.752 -6.063 -18.121 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.610 -4.846 -19.044 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.613 -6.754 -20.029 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.140 -7.161 -21.590 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.153 -5.480 -21.007 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.940 -5.546 -17.070 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.777 -5.996 -18.575 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.906 -7.233 -17.637 1.00 0.00 H new ATOM 297 N SER A 19 -3.133 -4.073 -20.811 1.00 0.00 N ATOM 298 CA SER A 19 -3.045 -2.685 -21.257 1.00 0.00 C ATOM 299 C SER A 19 -1.727 -2.043 -20.795 1.00 0.00 C ATOM 300 O SER A 19 -1.199 -2.411 -19.744 1.00 0.00 O ATOM 301 CB SER A 19 -4.226 -1.887 -20.701 1.00 0.00 C ATOM 302 OG SER A 19 -5.397 -2.210 -21.441 1.00 0.00 O ATOM 0 H SER A 19 -3.679 -4.217 -19.962 1.00 0.00 H new ATOM 0 HA SER A 19 -3.073 -2.673 -22.347 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.372 -2.118 -19.646 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.022 -0.818 -20.768 1.00 0.00 H new ATOM 0 HG SER A 19 -6.157 -1.703 -21.088 1.00 0.00 H new ATOM 308 N PRO A 20 -1.189 -1.087 -21.534 1.00 0.00 N ATOM 309 CA PRO A 20 0.083 -0.399 -21.142 1.00 0.00 C ATOM 310 C PRO A 20 0.050 0.128 -19.702 1.00 0.00 C ATOM 311 O PRO A 20 1.052 0.074 -18.993 1.00 0.00 O ATOM 312 CB PRO A 20 0.192 0.775 -22.134 1.00 0.00 C ATOM 313 CG PRO A 20 -0.599 0.361 -23.331 1.00 0.00 C ATOM 314 CD PRO A 20 -1.707 -0.568 -22.823 1.00 0.00 C ATOM 0 HA PRO A 20 0.930 -1.084 -21.177 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.204 1.693 -21.700 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.231 0.970 -22.399 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.022 1.230 -23.835 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.034 -0.151 -24.056 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.645 -0.030 -22.687 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.902 -1.376 -23.528 1.00 0.00 H new ATOM 322 N ALA A 21 -1.097 0.661 -19.293 1.00 0.00 N ATOM 323 CA ALA A 21 -1.233 1.219 -17.950 1.00 0.00 C ATOM 324 C ALA A 21 -0.840 0.201 -16.882 1.00 0.00 C ATOM 325 O ALA A 21 0.042 0.456 -16.060 1.00 0.00 O ATOM 326 CB ALA A 21 -2.681 1.660 -17.723 1.00 0.00 C ATOM 0 H ALA A 21 -1.939 0.719 -19.865 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.563 2.075 -17.869 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.782 2.076 -16.721 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.950 2.417 -18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.344 0.801 -17.827 1.00 0.00 H new ATOM 332 N TYR A 22 -1.498 -0.949 -16.898 1.00 0.00 N ATOM 333 CA TYR A 22 -1.211 -1.991 -15.925 1.00 0.00 C ATOM 334 C TYR A 22 0.216 -2.506 -16.099 1.00 0.00 C ATOM 335 O TYR A 22 0.974 -2.644 -15.135 1.00 0.00 O ATOM 336 CB TYR A 22 -2.203 -3.140 -16.095 1.00 0.00 C ATOM 337 CG TYR A 22 -1.950 -4.178 -15.034 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.917 -5.101 -15.202 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.748 -4.216 -13.883 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.676 -6.062 -14.220 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.507 -5.181 -12.900 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.470 -6.105 -13.069 1.00 0.00 C ATOM 343 OH TYR A 22 -1.228 -7.057 -12.099 1.00 0.00 O ATOM 0 H TYR A 22 -2.229 -1.183 -17.569 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.309 -1.573 -14.923 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.225 -2.768 -16.019 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.098 -3.583 -17.085 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.305 -5.071 -16.091 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.548 -3.501 -13.755 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.125 -6.774 -14.349 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.120 -5.213 -12.012 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.869 -6.947 -11.366 1.00 0.00 H new ATOM 353 N ARG A 23 0.581 -2.784 -17.340 1.00 0.00 N ATOM 354 CA ARG A 23 1.914 -3.279 -17.628 1.00 0.00 C ATOM 355 C ARG A 23 2.959 -2.298 -17.108 1.00 0.00 C ATOM 356 O ARG A 23 3.950 -2.692 -16.490 1.00 0.00 O ATOM 357 CB ARG A 23 2.079 -3.468 -19.134 1.00 0.00 C ATOM 358 CG ARG A 23 3.335 -4.294 -19.409 1.00 0.00 C ATOM 359 CD ARG A 23 3.494 -4.510 -20.916 1.00 0.00 C ATOM 360 NE ARG A 23 3.758 -3.243 -21.589 1.00 0.00 N ATOM 361 CZ ARG A 23 3.862 -3.176 -22.914 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.737 -4.257 -23.636 1.00 0.00 N ATOM 363 NH2 ARG A 23 4.093 -2.030 -23.493 1.00 0.00 N ATOM 0 H ARG A 23 -0.022 -2.676 -18.156 1.00 0.00 H new ATOM 0 HA ARG A 23 2.054 -4.238 -17.130 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.203 -3.969 -19.546 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.153 -2.499 -19.627 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.212 -3.783 -19.011 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.268 -5.255 -18.900 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.311 -5.206 -21.105 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.589 -4.962 -21.322 1.00 0.00 H new ATOM 0 HE ARG A 23 3.865 -2.394 -21.034 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.559 -5.154 -23.184 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.817 -4.204 -24.651 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.194 -1.185 -22.930 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.173 -1.979 -24.509 1.00 0.00 H new ATOM 377 N GLN A 24 2.718 -1.016 -17.347 1.00 0.00 N ATOM 378 CA GLN A 24 3.632 0.018 -16.887 1.00 0.00 C ATOM 379 C GLN A 24 3.688 0.025 -15.367 1.00 0.00 C ATOM 380 O GLN A 24 4.731 0.302 -14.777 1.00 0.00 O ATOM 381 CB GLN A 24 3.169 1.387 -17.390 1.00 0.00 C ATOM 382 CG GLN A 24 4.161 2.458 -16.934 1.00 0.00 C ATOM 383 CD GLN A 24 3.808 3.801 -17.566 1.00 0.00 C ATOM 384 OE1 GLN A 24 2.716 4.324 -17.348 1.00 0.00 O ATOM 385 NE2 GLN A 24 4.675 4.392 -18.343 1.00 0.00 N ATOM 0 H GLN A 24 1.903 -0.670 -17.853 1.00 0.00 H new ATOM 0 HA GLN A 24 4.626 -0.192 -17.281 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.097 1.382 -18.478 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.174 1.610 -17.006 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.143 2.542 -15.847 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.174 2.170 -17.215 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.580 3.956 -18.522 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.448 5.290 -18.771 1.00 0.00 H new ATOM 394 N LYS A 25 2.560 -0.290 -14.733 1.00 0.00 N ATOM 395 CA LYS A 25 2.512 -0.319 -13.277 1.00 0.00 C ATOM 396 C LYS A 25 3.521 -1.332 -12.759 1.00 0.00 C ATOM 397 O LYS A 25 4.297 -1.033 -11.854 1.00 0.00 O ATOM 398 CB LYS A 25 1.115 -0.709 -12.799 1.00 0.00 C ATOM 399 CG LYS A 25 1.015 -0.533 -11.281 1.00 0.00 C ATOM 400 CD LYS A 25 -0.391 -0.924 -10.800 1.00 0.00 C ATOM 401 CE LYS A 25 -1.417 0.146 -11.193 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.677 -0.080 -10.431 1.00 0.00 N ATOM 0 H LYS A 25 1.682 -0.525 -15.197 1.00 0.00 H new ATOM 0 HA LYS A 25 2.752 0.674 -12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.366 -0.092 -13.295 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.905 -1.744 -13.068 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.763 -1.151 -10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.226 0.502 -11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.675 -1.883 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.388 -1.051 -9.717 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.023 1.140 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.613 0.103 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.358 0.673 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.081 -1.002 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.473 -0.069 -9.411 1.00 0.00 H new ATOM 416 N LEU A 26 3.518 -2.527 -13.349 1.00 0.00 N ATOM 417 CA LEU A 26 4.467 -3.564 -12.935 1.00 0.00 C ATOM 418 C LEU A 26 5.895 -3.107 -13.208 1.00 0.00 C ATOM 419 O LEU A 26 6.790 -3.319 -12.393 1.00 0.00 O ATOM 420 CB LEU A 26 4.192 -4.888 -13.676 1.00 0.00 C ATOM 421 CG LEU A 26 3.107 -5.700 -12.950 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.606 -6.155 -11.559 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.846 -4.849 -12.807 1.00 0.00 C ATOM 0 H LEU A 26 2.884 -2.799 -14.100 1.00 0.00 H new ATOM 0 HA LEU A 26 4.341 -3.733 -11.866 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.875 -4.680 -14.698 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.110 -5.473 -13.740 1.00 0.00 H new ATOM 0 HG LEU A 26 2.878 -6.590 -13.536 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.824 -6.728 -11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.493 -6.778 -11.676 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.854 -5.280 -10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.076 -5.423 -12.292 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.075 -3.952 -12.231 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.486 -4.563 -13.795 1.00 0.00 H new ATOM 435 N LEU A 27 6.106 -2.496 -14.360 1.00 0.00 N ATOM 436 CA LEU A 27 7.432 -2.023 -14.716 1.00 0.00 C ATOM 437 C LEU A 27 7.850 -0.850 -13.827 1.00 0.00 C ATOM 438 O LEU A 27 9.029 -0.682 -13.513 1.00 0.00 O ATOM 439 CB LEU A 27 7.462 -1.597 -16.188 1.00 0.00 C ATOM 440 CG LEU A 27 8.917 -1.588 -16.707 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.304 -2.989 -17.194 1.00 0.00 C ATOM 442 CD2 LEU A 27 9.043 -0.608 -17.873 1.00 0.00 C ATOM 0 H LEU A 27 5.385 -2.317 -15.059 1.00 0.00 H new ATOM 0 HA LEU A 27 8.137 -2.840 -14.563 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.859 -2.281 -16.785 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.022 -0.606 -16.297 1.00 0.00 H new ATOM 0 HG LEU A 27 9.578 -1.284 -15.896 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.331 -2.977 -17.559 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.220 -3.697 -16.369 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.636 -3.291 -18.001 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.071 -0.605 -18.236 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.375 -0.913 -18.678 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.774 0.393 -17.537 1.00 0.00 H new ATOM 454 N SER A 28 6.876 -0.027 -13.451 1.00 0.00 N ATOM 455 CA SER A 28 7.147 1.151 -12.626 1.00 0.00 C ATOM 456 C SER A 28 7.772 0.769 -11.290 1.00 0.00 C ATOM 457 O SER A 28 8.729 1.402 -10.841 1.00 0.00 O ATOM 458 CB SER A 28 5.847 1.913 -12.373 1.00 0.00 C ATOM 459 OG SER A 28 6.123 3.067 -11.591 1.00 0.00 O ATOM 0 H SER A 28 5.895 -0.151 -13.702 1.00 0.00 H new ATOM 0 HA SER A 28 7.854 1.780 -13.167 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.391 2.202 -13.320 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.131 1.273 -11.857 1.00 0.00 H new ATOM 0 HG SER A 28 5.291 3.559 -11.428 1.00 0.00 H new ATOM 465 N LEU A 29 7.222 -0.259 -10.652 1.00 0.00 N ATOM 466 CA LEU A 29 7.720 -0.722 -9.351 1.00 0.00 C ATOM 467 C LEU A 29 8.265 -2.145 -9.470 1.00 0.00 C ATOM 468 O LEU A 29 8.064 -2.815 -10.483 1.00 0.00 O ATOM 469 CB LEU A 29 6.583 -0.675 -8.311 1.00 0.00 C ATOM 470 CG LEU A 29 5.239 -0.992 -8.982 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.297 -2.385 -9.625 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.125 -0.955 -7.930 1.00 0.00 C ATOM 0 H LEU A 29 6.430 -0.792 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 29 8.528 -0.066 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.779 -1.393 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.543 0.311 -7.849 1.00 0.00 H new ATOM 0 HG LEU A 29 5.035 -0.250 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.341 -2.606 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.089 -2.407 -10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.502 -3.132 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.169 -1.180 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.330 -1.696 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.082 0.037 -7.480 1.00 0.00 H new ATOM 484 N GLY A 30 8.961 -2.598 -8.430 1.00 0.00 N ATOM 485 CA GLY A 30 9.534 -3.943 -8.424 1.00 0.00 C ATOM 486 C GLY A 30 8.540 -4.957 -7.863 1.00 0.00 C ATOM 487 O GLY A 30 8.830 -6.151 -7.795 1.00 0.00 O ATOM 0 H GLY A 30 9.142 -2.057 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.816 -4.227 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.445 -3.952 -7.826 1.00 0.00 H new ATOM 491 N MET A 31 7.366 -4.473 -7.463 1.00 0.00 N ATOM 492 CA MET A 31 6.334 -5.347 -6.911 1.00 0.00 C ATOM 493 C MET A 31 5.802 -6.270 -7.992 1.00 0.00 C ATOM 494 O MET A 31 4.694 -6.081 -8.495 1.00 0.00 O ATOM 495 CB MET A 31 5.182 -4.515 -6.348 1.00 0.00 C ATOM 496 CG MET A 31 5.678 -3.695 -5.158 1.00 0.00 C ATOM 497 SD MET A 31 4.353 -2.599 -4.581 1.00 0.00 S ATOM 498 CE MET A 31 5.331 -1.080 -4.425 1.00 0.00 C ATOM 0 H MET A 31 7.107 -3.488 -7.510 1.00 0.00 H new ATOM 0 HA MET A 31 6.775 -5.940 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.787 -3.854 -7.119 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.366 -5.168 -6.038 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.992 -4.358 -4.352 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.550 -3.108 -5.446 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.691 -0.270 -4.076 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.138 -1.239 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.753 -0.817 -5.395 1.00 0.00 H new ATOM 508 N LEU A 32 6.606 -7.257 -8.361 1.00 0.00 N ATOM 509 CA LEU A 32 6.224 -8.204 -9.405 1.00 0.00 C ATOM 510 C LEU A 32 5.620 -9.469 -8.780 1.00 0.00 C ATOM 511 O LEU A 32 5.714 -9.670 -7.571 1.00 0.00 O ATOM 512 CB LEU A 32 7.482 -8.531 -10.255 1.00 0.00 C ATOM 513 CG LEU A 32 7.369 -7.895 -11.655 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.636 -6.395 -11.549 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.387 -8.528 -12.601 1.00 0.00 C ATOM 0 H LEU A 32 7.527 -7.425 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 32 5.461 -7.770 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.375 -8.160 -9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.594 -9.611 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 32 6.366 -8.065 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.557 -5.941 -12.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.903 -5.941 -10.881 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.638 -6.231 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.300 -8.072 -13.587 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.393 -8.366 -12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.196 -9.598 -12.678 1.00 0.00 H new ATOM 527 N PRO A 33 5.000 -10.318 -9.573 1.00 0.00 N ATOM 528 CA PRO A 33 4.377 -11.573 -9.063 1.00 0.00 C ATOM 529 C PRO A 33 5.295 -12.329 -8.109 1.00 0.00 C ATOM 530 O PRO A 33 6.412 -11.898 -7.828 1.00 0.00 O ATOM 531 CB PRO A 33 4.124 -12.400 -10.327 1.00 0.00 C ATOM 532 CG PRO A 33 3.982 -11.400 -11.426 1.00 0.00 C ATOM 533 CD PRO A 33 4.821 -10.179 -11.032 1.00 0.00 C ATOM 0 HA PRO A 33 3.473 -11.368 -8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.950 -13.085 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.224 -13.006 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.327 -11.816 -12.373 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.937 -11.122 -11.562 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.779 -10.170 -11.552 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.313 -9.248 -11.284 1.00 0.00 H new ATOM 541 N GLY A 34 4.812 -13.470 -7.630 1.00 0.00 N ATOM 542 CA GLY A 34 5.583 -14.309 -6.716 1.00 0.00 C ATOM 543 C GLY A 34 4.866 -14.446 -5.378 1.00 0.00 C ATOM 544 O GLY A 34 5.408 -15.007 -4.425 1.00 0.00 O ATOM 0 H GLY A 34 3.888 -13.837 -7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.732 -15.295 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.571 -13.876 -6.562 1.00 0.00 H new ATOM 548 N SER A 35 3.639 -13.930 -5.318 1.00 0.00 N ATOM 549 CA SER A 35 2.834 -13.993 -4.098 1.00 0.00 C ATOM 550 C SER A 35 1.357 -14.149 -4.442 1.00 0.00 C ATOM 551 O SER A 35 0.993 -14.290 -5.609 1.00 0.00 O ATOM 552 CB SER A 35 3.031 -12.726 -3.265 1.00 0.00 C ATOM 553 OG SER A 35 2.108 -12.729 -2.183 1.00 0.00 O ATOM 0 H SER A 35 3.180 -13.463 -6.100 1.00 0.00 H new ATOM 0 HA SER A 35 3.160 -14.858 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.052 -12.680 -2.887 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.880 -11.842 -3.885 1.00 0.00 H new ATOM 0 HG SER A 35 2.232 -11.919 -1.645 1.00 0.00 H new ATOM 559 N SER A 36 0.510 -14.127 -3.415 1.00 0.00 N ATOM 560 CA SER A 36 -0.935 -14.271 -3.601 1.00 0.00 C ATOM 561 C SER A 36 -1.676 -13.128 -2.924 1.00 0.00 C ATOM 562 O SER A 36 -1.166 -12.506 -1.993 1.00 0.00 O ATOM 563 CB SER A 36 -1.407 -15.600 -3.013 1.00 0.00 C ATOM 564 OG SER A 36 -0.938 -16.669 -3.823 1.00 0.00 O ATOM 0 H SER A 36 0.798 -14.011 -2.444 1.00 0.00 H new ATOM 0 HA SER A 36 -1.148 -14.249 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.036 -15.712 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.496 -15.620 -2.960 1.00 0.00 H new ATOM 0 HG SER A 36 -0.503 -17.341 -3.258 1.00 0.00 H new ATOM 570 N PHE A 37 -2.888 -12.852 -3.406 1.00 0.00 N ATOM 571 CA PHE A 37 -3.705 -11.776 -2.850 1.00 0.00 C ATOM 572 C PHE A 37 -5.127 -12.267 -2.600 1.00 0.00 C ATOM 573 O PHE A 37 -5.619 -13.161 -3.290 1.00 0.00 O ATOM 574 CB PHE A 37 -3.737 -10.592 -3.822 1.00 0.00 C ATOM 575 CG PHE A 37 -4.511 -10.964 -5.066 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.859 -11.540 -6.163 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.888 -10.728 -5.119 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.584 -11.879 -7.312 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.613 -11.066 -6.267 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.963 -11.642 -7.363 1.00 0.00 C ATOM 0 H PHE A 37 -3.324 -13.357 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.267 -11.458 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.198 -9.729 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.721 -10.303 -4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.795 -11.723 -6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.392 -10.285 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.080 -12.323 -8.158 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.676 -10.882 -6.307 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.524 -11.904 -8.248 1.00 0.00 H new ATOM 590 N ASN A 38 -5.783 -11.671 -1.605 1.00 0.00 N ATOM 591 CA ASN A 38 -7.154 -12.044 -1.257 1.00 0.00 C ATOM 592 C ASN A 38 -8.130 -10.961 -1.706 1.00 0.00 C ATOM 593 O ASN A 38 -7.810 -9.761 -1.703 1.00 0.00 O ATOM 594 CB ASN A 38 -7.271 -12.244 0.256 1.00 0.00 C ATOM 595 CG ASN A 38 -6.553 -13.525 0.665 1.00 0.00 C ATOM 596 OD1 ASN A 38 -6.286 -14.382 -0.175 1.00 0.00 O ATOM 597 ND2 ASN A 38 -6.221 -13.708 1.913 1.00 0.00 N ATOM 0 H ASN A 38 -5.388 -10.929 -1.027 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.401 -12.976 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.839 -11.391 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.321 -12.297 0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.739 -14.563 2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.443 -12.996 2.609 1.00 0.00 H new ATOM 604 N VAL A 39 -9.324 -11.392 -2.100 1.00 0.00 N ATOM 605 CA VAL A 39 -10.345 -10.464 -2.558 1.00 0.00 C ATOM 606 C VAL A 39 -11.100 -9.877 -1.370 1.00 0.00 C ATOM 607 O VAL A 39 -11.607 -10.610 -0.521 1.00 0.00 O ATOM 608 CB VAL A 39 -11.338 -11.186 -3.471 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.193 -10.155 -4.208 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.580 -12.048 -4.483 1.00 0.00 C ATOM 0 H VAL A 39 -9.605 -12.373 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.856 -9.661 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.982 -11.828 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.901 -10.668 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.739 -9.550 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.550 -9.511 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.292 -12.560 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.931 -11.414 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.976 -12.785 -3.953 1.00 0.00 H new ATOM 620 N VAL A 40 -11.174 -8.554 -1.317 1.00 0.00 N ATOM 621 CA VAL A 40 -11.877 -7.878 -0.234 1.00 0.00 C ATOM 622 C VAL A 40 -13.388 -8.066 -0.357 1.00 0.00 C ATOM 623 O VAL A 40 -14.088 -8.224 0.643 1.00 0.00 O ATOM 624 CB VAL A 40 -11.513 -6.383 -0.235 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.602 -5.811 -1.662 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.469 -5.615 0.690 1.00 0.00 C ATOM 0 H VAL A 40 -10.758 -7.929 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.567 -8.320 0.713 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.491 -6.271 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.342 -4.753 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.909 -6.346 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.618 -5.929 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.207 -4.557 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.493 -5.737 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.386 -6.005 1.704 1.00 0.00 H new ATOM 636 N ARG A 41 -13.884 -8.033 -1.587 1.00 0.00 N ATOM 637 CA ARG A 41 -15.310 -8.184 -1.829 1.00 0.00 C ATOM 638 C ARG A 41 -15.576 -8.284 -3.322 1.00 0.00 C ATOM 639 O ARG A 41 -14.804 -7.769 -4.129 1.00 0.00 O ATOM 640 CB ARG A 41 -16.058 -6.977 -1.255 1.00 0.00 C ATOM 641 CG ARG A 41 -15.629 -5.700 -1.991 1.00 0.00 C ATOM 642 CD ARG A 41 -16.292 -4.487 -1.337 1.00 0.00 C ATOM 643 NE ARG A 41 -15.912 -3.264 -2.037 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.072 -2.071 -1.471 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.577 -1.980 -0.271 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.724 -0.991 -2.116 1.00 0.00 N ATOM 0 H ARG A 41 -13.322 -7.904 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.660 -9.095 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.133 -7.122 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.849 -6.881 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.544 -5.596 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.913 -5.760 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.376 -4.603 -1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.995 -4.422 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.517 -3.325 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.849 -2.824 0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.700 -1.065 0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.329 -1.062 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.847 -0.076 -1.682 1.00 0.00 H new ATOM 660 N VAL A 42 -16.679 -8.932 -3.689 1.00 0.00 N ATOM 661 CA VAL A 42 -17.048 -9.070 -5.100 1.00 0.00 C ATOM 662 C VAL A 42 -18.471 -8.567 -5.306 1.00 0.00 C ATOM 663 O VAL A 42 -19.415 -9.099 -4.720 1.00 0.00 O ATOM 664 CB VAL A 42 -16.946 -10.538 -5.514 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.516 -10.726 -6.922 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.478 -10.963 -5.492 1.00 0.00 C ATOM 0 H VAL A 42 -17.330 -9.368 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.369 -8.479 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.518 -11.152 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.439 -11.775 -7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.563 -10.422 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.953 -10.115 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.398 -12.009 -5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.910 -10.346 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.078 -10.837 -4.486 1.00 0.00 H new ATOM 676 N ALA A 43 -18.625 -7.536 -6.138 1.00 0.00 N ATOM 677 CA ALA A 43 -19.949 -6.975 -6.402 1.00 0.00 C ATOM 678 C ALA A 43 -20.562 -7.624 -7.661 1.00 0.00 C ATOM 679 O ALA A 43 -20.074 -7.384 -8.767 1.00 0.00 O ATOM 680 CB ALA A 43 -19.822 -5.458 -6.611 1.00 0.00 C ATOM 0 H ALA A 43 -17.860 -7.078 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.601 -7.177 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.807 -5.034 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.403 -5.001 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.166 -5.261 -7.459 1.00 0.00 H new ATOM 686 N PRO A 44 -21.611 -8.428 -7.538 1.00 0.00 N ATOM 687 CA PRO A 44 -22.251 -9.086 -8.717 1.00 0.00 C ATOM 688 C PRO A 44 -23.119 -8.116 -9.522 1.00 0.00 C ATOM 689 O PRO A 44 -23.574 -8.442 -10.618 1.00 0.00 O ATOM 690 CB PRO A 44 -23.088 -10.216 -8.102 1.00 0.00 C ATOM 691 CG PRO A 44 -23.435 -9.740 -6.727 1.00 0.00 C ATOM 692 CD PRO A 44 -22.303 -8.799 -6.280 1.00 0.00 C ATOM 0 HA PRO A 44 -21.514 -9.450 -9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.985 -10.408 -8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.525 -11.149 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.392 -9.219 -6.729 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.532 -10.581 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.696 -7.920 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.625 -9.295 -5.585 1.00 0.00 H new ATOM 700 N LEU A 45 -23.367 -6.939 -8.958 1.00 0.00 N ATOM 701 CA LEU A 45 -24.206 -5.943 -9.620 1.00 0.00 C ATOM 702 C LEU A 45 -23.609 -5.547 -10.970 1.00 0.00 C ATOM 703 O LEU A 45 -24.341 -5.228 -11.906 1.00 0.00 O ATOM 704 CB LEU A 45 -24.330 -4.699 -8.723 1.00 0.00 C ATOM 705 CG LEU A 45 -25.389 -4.936 -7.643 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.972 -6.119 -6.766 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.519 -3.682 -6.777 1.00 0.00 C ATOM 0 H LEU A 45 -23.002 -6.651 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.193 -6.374 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.369 -4.478 -8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.601 -3.832 -9.325 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.346 -5.156 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.727 -6.286 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.877 -7.013 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.015 -5.901 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.273 -3.848 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.561 -3.464 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.817 -2.839 -7.400 1.00 0.00 H new ATOM 719 N GLY A 46 -22.281 -5.573 -11.069 1.00 0.00 N ATOM 720 CA GLY A 46 -21.600 -5.217 -12.318 1.00 0.00 C ATOM 721 C GLY A 46 -20.482 -4.213 -12.060 1.00 0.00 C ATOM 722 O GLY A 46 -20.140 -3.415 -12.932 1.00 0.00 O ATOM 0 H GLY A 46 -21.656 -5.835 -10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.189 -6.114 -12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.318 -4.795 -13.021 1.00 0.00 H new ATOM 726 N ASP A 47 -19.916 -4.252 -10.854 1.00 0.00 N ATOM 727 CA ASP A 47 -18.836 -3.334 -10.491 1.00 0.00 C ATOM 728 C ASP A 47 -17.482 -4.033 -10.666 1.00 0.00 C ATOM 729 O ASP A 47 -17.404 -5.261 -10.697 1.00 0.00 O ATOM 730 CB ASP A 47 -19.029 -2.872 -9.023 1.00 0.00 C ATOM 731 CG ASP A 47 -19.541 -1.430 -8.959 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.343 -1.068 -9.804 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.114 -0.710 -8.070 1.00 0.00 O ATOM 0 H ASP A 47 -20.184 -4.904 -10.117 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.859 -2.460 -11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.734 -3.534 -8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.083 -2.949 -8.487 1.00 0.00 H new ATOM 738 N PRO A 48 -16.421 -3.275 -10.774 1.00 0.00 N ATOM 739 CA PRO A 48 -15.043 -3.829 -10.946 1.00 0.00 C ATOM 740 C PRO A 48 -14.665 -4.777 -9.809 1.00 0.00 C ATOM 741 O PRO A 48 -15.398 -4.905 -8.829 1.00 0.00 O ATOM 742 CB PRO A 48 -14.134 -2.582 -10.962 1.00 0.00 C ATOM 743 CG PRO A 48 -14.969 -1.480 -10.379 1.00 0.00 C ATOM 744 CD PRO A 48 -16.411 -1.809 -10.746 1.00 0.00 C ATOM 0 HA PRO A 48 -14.952 -4.426 -11.854 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.231 -2.745 -10.374 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.815 -2.340 -11.976 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.844 -1.426 -9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.674 -0.511 -10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.114 -1.415 -10.012 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.688 -1.385 -11.711 1.00 0.00 H new ATOM 752 N ILE A 49 -13.524 -5.447 -9.956 1.00 0.00 N ATOM 753 CA ILE A 49 -13.066 -6.386 -8.947 1.00 0.00 C ATOM 754 C ILE A 49 -12.190 -5.671 -7.931 1.00 0.00 C ATOM 755 O ILE A 49 -11.121 -5.161 -8.272 1.00 0.00 O ATOM 756 CB ILE A 49 -12.265 -7.498 -9.625 1.00 0.00 C ATOM 757 CG1 ILE A 49 -12.944 -7.863 -10.953 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.195 -8.730 -8.710 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.413 -8.222 -10.716 1.00 0.00 C ATOM 0 H ILE A 49 -12.906 -5.355 -10.762 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.926 -6.813 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.249 -7.153 -9.817 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.874 -7.026 -11.647 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.427 -8.704 -11.415 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.623 -9.516 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.709 -8.460 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.204 -9.089 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -14.883 -8.479 -11.666 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.475 -9.074 -10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.929 -7.369 -10.275 1.00 0.00 H new ATOM 771 N HIS A 50 -12.646 -5.647 -6.684 1.00 0.00 N ATOM 772 CA HIS A 50 -11.899 -5.000 -5.610 1.00 0.00 C ATOM 773 C HIS A 50 -11.086 -6.036 -4.856 1.00 0.00 C ATOM 774 O HIS A 50 -11.635 -6.999 -4.323 1.00 0.00 O ATOM 775 CB HIS A 50 -12.858 -4.312 -4.639 1.00 0.00 C ATOM 776 CG HIS A 50 -13.504 -3.135 -5.315 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.762 -1.950 -4.643 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.940 -2.938 -6.601 1.00 0.00 C ATOM 779 CE1 HIS A 50 -14.329 -1.102 -5.519 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.461 -1.652 -6.727 1.00 0.00 N ATOM 0 H HIS A 50 -13.528 -6.067 -6.391 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.234 -4.255 -6.047 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.621 -5.016 -4.306 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.318 -3.983 -3.751 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -13.559 -1.757 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.887 -3.669 -7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.640 -0.097 -5.274 1.00 0.00 H new ATOM 788 N ILE A 51 -9.773 -5.833 -4.817 1.00 0.00 N ATOM 789 CA ILE A 51 -8.879 -6.755 -4.123 1.00 0.00 C ATOM 790 C ILE A 51 -7.963 -5.999 -3.170 1.00 0.00 C ATOM 791 O ILE A 51 -7.578 -4.857 -3.436 1.00 0.00 O ATOM 792 CB ILE A 51 -8.048 -7.545 -5.146 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.285 -6.576 -6.057 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.980 -8.413 -5.997 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.259 -7.350 -6.891 1.00 0.00 C ATOM 0 H ILE A 51 -9.305 -5.041 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.480 -7.451 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.336 -8.178 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.982 -6.054 -6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.782 -5.817 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.392 -8.974 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.520 -9.107 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.692 -7.776 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.719 -6.658 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.555 -7.852 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.773 -8.092 -7.503 1.00 0.00 H new ATOM 807 N GLU A 52 -7.616 -6.644 -2.054 1.00 0.00 N ATOM 808 CA GLU A 52 -6.736 -6.032 -1.053 1.00 0.00 C ATOM 809 C GLU A 52 -5.514 -6.904 -0.830 1.00 0.00 C ATOM 810 O GLU A 52 -5.620 -8.026 -0.336 1.00 0.00 O ATOM 811 CB GLU A 52 -7.493 -5.841 0.268 1.00 0.00 C ATOM 812 CG GLU A 52 -8.440 -4.641 0.158 1.00 0.00 C ATOM 813 CD GLU A 52 -7.633 -3.349 0.124 1.00 0.00 C ATOM 814 OE1 GLU A 52 -6.440 -3.415 0.364 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.224 -2.312 -0.129 1.00 0.00 O ATOM 0 H GLU A 52 -7.929 -7.586 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.412 -5.057 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.059 -6.741 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.786 -5.684 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.046 -4.726 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.127 -4.629 1.004 1.00 0.00 H new ATOM 822 N THR A 53 -4.348 -6.380 -1.199 1.00 0.00 N ATOM 823 CA THR A 53 -3.096 -7.115 -1.037 1.00 0.00 C ATOM 824 C THR A 53 -2.293 -6.513 0.104 1.00 0.00 C ATOM 825 O THR A 53 -2.202 -5.291 0.238 1.00 0.00 O ATOM 826 CB THR A 53 -2.275 -7.053 -2.333 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.382 -5.948 -2.272 1.00 0.00 O ATOM 828 CG2 THR A 53 -3.210 -6.877 -3.541 1.00 0.00 C ATOM 0 H THR A 53 -4.244 -5.453 -1.611 1.00 0.00 H new ATOM 0 HA THR A 53 -3.324 -8.157 -0.811 1.00 0.00 H new ATOM 0 HB THR A 53 -1.714 -7.981 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.853 -5.132 -2.541 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.619 -6.834 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.899 -7.720 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.776 -5.952 -3.431 1.00 0.00 H new ATOM 836 N ARG A 54 -1.714 -7.378 0.924 1.00 0.00 N ATOM 837 CA ARG A 54 -0.925 -6.930 2.064 1.00 0.00 C ATOM 838 C ARG A 54 -0.030 -5.764 1.666 1.00 0.00 C ATOM 839 O ARG A 54 0.137 -4.808 2.422 1.00 0.00 O ATOM 840 CB ARG A 54 -0.064 -8.082 2.577 1.00 0.00 C ATOM 841 CG ARG A 54 -0.962 -9.276 2.902 1.00 0.00 C ATOM 842 CD ARG A 54 -0.105 -10.436 3.413 1.00 0.00 C ATOM 843 NE ARG A 54 0.474 -10.101 4.710 1.00 0.00 N ATOM 844 CZ ARG A 54 1.333 -10.918 5.314 1.00 0.00 C ATOM 845 NH1 ARG A 54 1.680 -12.040 4.744 1.00 0.00 N ATOM 846 NH2 ARG A 54 1.829 -10.599 6.479 1.00 0.00 N ATOM 0 H ARG A 54 -1.775 -8.391 0.822 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.603 -6.601 2.851 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.675 -8.362 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.486 -7.773 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.699 -8.996 3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.514 -9.582 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.713 -11.336 3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.688 -10.654 2.698 1.00 0.00 H new ATOM 0 HE ARG A 54 0.215 -9.224 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.293 -12.291 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.339 -12.665 5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.558 -9.723 6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.488 -11.226 6.942 1.00 0.00 H new ATOM 860 N ARG A 55 0.544 -5.854 0.472 1.00 0.00 N ATOM 861 CA ARG A 55 1.418 -4.801 -0.018 1.00 0.00 C ATOM 862 C ARG A 55 0.629 -3.514 -0.251 1.00 0.00 C ATOM 863 O ARG A 55 1.052 -2.431 0.159 1.00 0.00 O ATOM 864 CB ARG A 55 2.075 -5.243 -1.333 1.00 0.00 C ATOM 865 CG ARG A 55 3.260 -4.318 -1.678 1.00 0.00 C ATOM 866 CD ARG A 55 4.537 -4.823 -0.992 1.00 0.00 C ATOM 867 NE ARG A 55 5.651 -3.927 -1.271 1.00 0.00 N ATOM 868 CZ ARG A 55 6.887 -4.238 -0.896 1.00 0.00 C ATOM 869 NH1 ARG A 55 7.110 -5.361 -0.269 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.876 -3.425 -1.153 1.00 0.00 N ATOM 0 H ARG A 55 0.420 -6.639 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 55 2.187 -4.612 0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.422 -6.273 -1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.341 -5.221 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.405 -4.287 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.043 -3.300 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.377 -4.891 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.773 -5.828 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 55 5.480 -3.049 -1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.337 -5.996 -0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.057 -5.604 0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.701 -2.548 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.824 -3.667 -0.864 1.00 0.00 H new ATOM 884 N VAL A 56 -0.519 -3.638 -0.917 1.00 0.00 N ATOM 885 CA VAL A 56 -1.354 -2.476 -1.203 1.00 0.00 C ATOM 886 C VAL A 56 -2.700 -2.909 -1.758 1.00 0.00 C ATOM 887 O VAL A 56 -2.922 -4.089 -2.035 1.00 0.00 O ATOM 888 CB VAL A 56 -0.652 -1.566 -2.214 1.00 0.00 C ATOM 889 CG1 VAL A 56 -0.552 -2.273 -3.569 1.00 0.00 C ATOM 890 CG2 VAL A 56 -1.421 -0.242 -2.379 1.00 0.00 C ATOM 0 H VAL A 56 -0.888 -4.523 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.516 -1.931 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 56 0.349 -1.346 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.051 -1.620 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.019 -3.194 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.553 -2.508 -3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.906 0.391 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.431 -0.449 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.472 0.271 -1.419 1.00 0.00 H new ATOM 900 N SER A 57 -3.595 -1.944 -1.928 1.00 0.00 N ATOM 901 CA SER A 57 -4.918 -2.226 -2.465 1.00 0.00 C ATOM 902 C SER A 57 -4.943 -1.983 -3.971 1.00 0.00 C ATOM 903 O SER A 57 -4.181 -1.165 -4.490 1.00 0.00 O ATOM 904 CB SER A 57 -5.958 -1.331 -1.795 1.00 0.00 C ATOM 905 OG SER A 57 -5.726 -1.300 -0.393 1.00 0.00 O ATOM 0 H SER A 57 -3.429 -0.963 -1.702 1.00 0.00 H new ATOM 0 HA SER A 57 -5.153 -3.271 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.904 -0.323 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.961 -1.705 -2.000 1.00 0.00 H new ATOM 0 HG SER A 57 -5.469 -2.194 -0.084 1.00 0.00 H new ATOM 911 N LEU A 58 -5.829 -2.689 -4.668 1.00 0.00 N ATOM 912 CA LEU A 58 -5.953 -2.532 -6.116 1.00 0.00 C ATOM 913 C LEU A 58 -7.348 -2.946 -6.568 1.00 0.00 C ATOM 914 O LEU A 58 -7.940 -3.870 -6.016 1.00 0.00 O ATOM 915 CB LEU A 58 -4.895 -3.385 -6.831 1.00 0.00 C ATOM 916 CG LEU A 58 -4.997 -3.215 -8.359 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.767 -1.746 -8.760 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.944 -4.105 -9.032 1.00 0.00 C ATOM 0 H LEU A 58 -6.468 -3.371 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.794 -1.484 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.900 -3.096 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.028 -4.434 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.996 -3.507 -8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.843 -1.648 -9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.520 -1.117 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.775 -1.432 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.009 -3.991 -10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.950 -3.811 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.124 -5.147 -8.766 1.00 0.00 H new ATOM 930 N VAL A 59 -7.864 -2.259 -7.583 1.00 0.00 N ATOM 931 CA VAL A 59 -9.189 -2.571 -8.122 1.00 0.00 C ATOM 932 C VAL A 59 -9.144 -2.511 -9.641 1.00 0.00 C ATOM 933 O VAL A 59 -8.730 -1.506 -10.214 1.00 0.00 O ATOM 934 CB VAL A 59 -10.233 -1.578 -7.597 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.783 -0.143 -7.881 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.578 -1.835 -8.284 1.00 0.00 C ATOM 0 H VAL A 59 -7.389 -1.486 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.472 -3.574 -7.801 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.340 -1.713 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.531 0.554 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.830 0.044 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.666 -0.004 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.319 -1.128 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.467 -1.708 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.907 -2.852 -8.071 1.00 0.00 H new ATOM 946 N LEU A 60 -9.575 -3.590 -10.293 1.00 0.00 N ATOM 947 CA LEU A 60 -9.577 -3.651 -11.759 1.00 0.00 C ATOM 948 C LEU A 60 -10.923 -4.165 -12.259 1.00 0.00 C ATOM 949 O LEU A 60 -11.825 -4.431 -11.471 1.00 0.00 O ATOM 950 CB LEU A 60 -8.463 -4.582 -12.256 1.00 0.00 C ATOM 951 CG LEU A 60 -7.125 -4.241 -11.580 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.111 -5.360 -11.840 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.569 -2.930 -12.152 1.00 0.00 C ATOM 0 H LEU A 60 -9.926 -4.431 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.404 -2.647 -12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.728 -5.618 -12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.363 -4.492 -13.338 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.293 -4.134 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.165 -5.113 -11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.491 -6.297 -11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.955 -5.467 -12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.621 -2.695 -11.668 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.412 -3.039 -13.225 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.279 -2.123 -11.970 1.00 0.00 H new ATOM 965 N ARG A 61 -11.052 -4.297 -13.578 1.00 0.00 N ATOM 966 CA ARG A 61 -12.296 -4.781 -14.184 1.00 0.00 C ATOM 967 C ARG A 61 -12.218 -6.286 -14.426 1.00 0.00 C ATOM 968 O ARG A 61 -11.139 -6.833 -14.644 1.00 0.00 O ATOM 969 CB ARG A 61 -12.542 -4.059 -15.512 1.00 0.00 C ATOM 970 CG ARG A 61 -12.996 -2.620 -15.243 1.00 0.00 C ATOM 971 CD ARG A 61 -11.895 -1.854 -14.502 1.00 0.00 C ATOM 972 NE ARG A 61 -12.071 -0.419 -14.681 1.00 0.00 N ATOM 973 CZ ARG A 61 -11.512 0.452 -13.848 1.00 0.00 C ATOM 974 NH1 ARG A 61 -10.795 0.026 -12.842 1.00 0.00 N ATOM 975 NH2 ARG A 61 -11.680 1.733 -14.032 1.00 0.00 N ATOM 0 H ARG A 61 -10.315 -4.077 -14.247 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.120 -4.575 -13.501 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.631 -4.057 -16.110 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.301 -4.588 -16.089 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.228 -2.121 -16.184 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.911 -2.623 -14.650 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.921 -2.101 -13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.917 -2.157 -14.876 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.634 -0.077 -15.460 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.665 -0.975 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.366 0.695 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.241 2.066 -14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.250 2.401 -13.392 1.00 0.00 H new ATOM 989 N LYS A 62 -13.371 -6.949 -14.391 1.00 0.00 N ATOM 990 CA LYS A 62 -13.428 -8.394 -14.606 1.00 0.00 C ATOM 991 C LYS A 62 -12.509 -8.809 -15.753 1.00 0.00 C ATOM 992 O LYS A 62 -11.791 -9.811 -15.661 1.00 0.00 O ATOM 993 CB LYS A 62 -14.869 -8.800 -14.934 1.00 0.00 C ATOM 994 CG LYS A 62 -14.947 -10.308 -15.174 1.00 0.00 C ATOM 995 CD LYS A 62 -16.390 -10.703 -15.478 1.00 0.00 C ATOM 996 CE LYS A 62 -16.443 -12.208 -15.717 1.00 0.00 C ATOM 997 NZ LYS A 62 -17.838 -12.618 -16.039 1.00 0.00 N ATOM 0 H LYS A 62 -14.276 -6.512 -14.217 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.095 -8.896 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.530 -8.520 -14.114 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.214 -8.265 -15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.300 -10.588 -16.005 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.589 -10.845 -14.296 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.040 -10.429 -14.647 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.752 -10.168 -16.356 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.776 -12.479 -16.535 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.093 -12.739 -14.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.869 -13.645 -16.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.464 -12.374 -15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.156 -12.122 -16.896 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.538 -8.039 -16.830 1.00 0.00 N ATOM 1012 CA LYS A 63 -11.710 -8.344 -17.988 1.00 0.00 C ATOM 1013 C LYS A 63 -10.235 -8.350 -17.602 1.00 0.00 C ATOM 1014 O LYS A 63 -9.469 -9.196 -18.058 1.00 0.00 O ATOM 1015 CB LYS A 63 -11.947 -7.310 -19.090 1.00 0.00 C ATOM 1016 CG LYS A 63 -13.353 -7.472 -19.656 1.00 0.00 C ATOM 1017 CD LYS A 63 -13.573 -6.426 -20.747 1.00 0.00 C ATOM 1018 CE LYS A 63 -14.976 -6.592 -21.321 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.210 -5.569 -22.378 1.00 0.00 N ATOM 0 H LYS A 63 -13.119 -7.207 -16.927 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.983 -9.333 -18.356 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.819 -6.304 -18.691 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.209 -7.434 -19.883 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.481 -8.475 -20.064 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.093 -7.353 -18.865 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.451 -5.423 -20.337 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.828 -6.542 -21.535 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.093 -7.593 -21.737 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.718 -6.487 -20.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.167 -5.685 -22.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.116 -4.618 -21.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.510 -5.689 -23.138 1.00 0.00 H new ATOM 1033 N ASP A 64 -9.844 -7.405 -16.758 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.459 -7.316 -16.323 1.00 0.00 C ATOM 1035 C ASP A 64 -8.034 -8.605 -15.624 1.00 0.00 C ATOM 1036 O ASP A 64 -6.936 -9.111 -15.846 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.306 -6.147 -15.355 1.00 0.00 C ATOM 1038 CG ASP A 64 -6.836 -5.774 -15.205 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -6.001 -6.645 -15.381 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -6.567 -4.617 -14.928 1.00 0.00 O ATOM 0 H ASP A 64 -10.461 -6.695 -16.364 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.827 -7.163 -17.198 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.871 -5.289 -15.719 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.722 -6.414 -14.383 1.00 0.00 H new ATOM 1045 N LEU A 65 -8.912 -9.124 -14.770 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.617 -10.352 -14.040 1.00 0.00 C ATOM 1047 C LEU A 65 -8.442 -11.505 -15.019 1.00 0.00 C ATOM 1048 O LEU A 65 -7.544 -12.331 -14.866 1.00 0.00 O ATOM 1049 CB LEU A 65 -9.754 -10.674 -13.059 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.640 -9.811 -11.790 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.430 -10.212 -10.931 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -9.514 -8.351 -12.192 1.00 0.00 C ATOM 0 H LEU A 65 -9.825 -8.717 -14.568 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.694 -10.213 -13.477 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.716 -10.497 -13.540 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.721 -11.730 -12.791 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.538 -9.968 -11.192 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.387 -9.578 -10.045 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.529 -11.254 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.515 -10.088 -11.511 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.433 -7.733 -11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.624 -8.218 -12.807 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.395 -8.053 -12.760 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.308 -11.556 -16.028 1.00 0.00 N ATOM 1065 CA ALA A 66 -9.225 -12.618 -17.022 1.00 0.00 C ATOM 1066 C ALA A 66 -7.865 -12.588 -17.714 1.00 0.00 C ATOM 1067 O ALA A 66 -7.219 -13.623 -17.879 1.00 0.00 O ATOM 1068 CB ALA A 66 -10.333 -12.456 -18.061 1.00 0.00 C ATOM 0 H ALA A 66 -10.062 -10.886 -16.177 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.347 -13.576 -16.516 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.260 -13.256 -18.798 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.304 -12.504 -17.568 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.227 -11.492 -18.559 1.00 0.00 H new ATOM 1074 N LEU A 67 -7.432 -11.395 -18.113 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.141 -11.246 -18.781 1.00 0.00 C ATOM 1076 C LEU A 67 -4.999 -11.555 -17.820 1.00 0.00 C ATOM 1077 O LEU A 67 -4.011 -12.176 -18.199 1.00 0.00 O ATOM 1078 CB LEU A 67 -5.982 -9.812 -19.331 1.00 0.00 C ATOM 1079 CG LEU A 67 -6.553 -9.704 -20.751 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.074 -9.861 -20.725 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -6.189 -8.334 -21.324 1.00 0.00 C ATOM 0 H LEU A 67 -7.950 -10.525 -17.987 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.106 -11.953 -19.610 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.493 -9.108 -18.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.928 -9.535 -19.337 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.133 -10.495 -21.372 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.465 -9.782 -21.739 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.332 -10.836 -20.311 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.510 -9.077 -20.106 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.589 -8.244 -22.334 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.613 -7.552 -20.694 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.105 -8.228 -21.353 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.125 -11.110 -16.582 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.071 -11.345 -15.610 1.00 0.00 C ATOM 1095 C LEU A 68 -3.908 -12.835 -15.364 1.00 0.00 C ATOM 1096 O LEU A 68 -4.877 -13.537 -15.072 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.412 -10.628 -14.299 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.235 -9.107 -14.470 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.095 -8.371 -13.437 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -2.760 -8.713 -14.261 1.00 0.00 C ATOM 0 H LEU A 68 -5.931 -10.593 -16.230 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.132 -10.952 -15.999 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.438 -10.853 -14.008 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.767 -10.990 -13.498 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.543 -8.832 -15.479 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.969 -7.295 -13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.143 -8.633 -13.583 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.786 -8.661 -12.433 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.650 -7.636 -14.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.446 -8.997 -13.256 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.139 -9.228 -14.994 1.00 0.00 H new ATOM 1112 N GLU A 69 -2.674 -13.315 -15.485 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.406 -14.731 -15.275 1.00 0.00 C ATOM 1114 C GLU A 69 -2.384 -15.032 -13.783 1.00 0.00 C ATOM 1115 O GLU A 69 -1.425 -14.696 -13.077 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.067 -15.118 -15.906 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.149 -14.969 -17.426 1.00 0.00 C ATOM 1118 CD GLU A 69 0.205 -15.296 -18.045 1.00 0.00 C ATOM 1119 OE1 GLU A 69 1.094 -15.683 -17.304 1.00 0.00 O ATOM 1120 OE2 GLU A 69 0.334 -15.153 -19.250 1.00 0.00 O ATOM 0 H GLU A 69 -1.856 -12.754 -15.724 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.195 -15.315 -15.749 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.272 -14.485 -15.512 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.815 -16.146 -15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.914 -15.635 -17.826 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.443 -13.952 -17.687 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.457 -15.663 -13.303 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.579 -16.009 -11.886 1.00 0.00 C ATOM 1129 C VAL A 70 -3.844 -17.499 -11.724 1.00 0.00 C ATOM 1130 O VAL A 70 -4.281 -18.167 -12.660 1.00 0.00 O ATOM 1131 CB VAL A 70 -4.731 -15.225 -11.244 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.411 -13.727 -11.244 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.019 -15.472 -12.036 1.00 0.00 C ATOM 0 H VAL A 70 -4.254 -15.945 -13.874 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.642 -15.751 -11.393 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.862 -15.561 -10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.235 -13.179 -10.786 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.498 -13.550 -10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.273 -13.384 -12.270 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.838 -14.916 -11.581 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.883 -15.140 -13.065 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.254 -16.536 -12.026 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.577 -18.019 -10.525 1.00 0.00 N ATOM 1144 CA GLU A 71 -3.794 -19.445 -10.251 1.00 0.00 C ATOM 1145 C GLU A 71 -4.310 -19.639 -8.833 1.00 0.00 C ATOM 1146 O GLU A 71 -3.782 -19.057 -7.887 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.483 -20.216 -10.410 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.770 -21.718 -10.450 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.472 -22.487 -10.670 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.420 -21.882 -10.541 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.548 -23.669 -10.964 1.00 0.00 O ATOM 0 H GLU A 71 -3.215 -17.484 -9.736 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.531 -19.821 -10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.977 -19.908 -11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.812 -19.986 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.236 -22.033 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.476 -21.941 -11.250 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.331 -20.473 -8.686 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.886 -20.739 -7.368 1.00 0.00 C ATOM 1160 C ALA A 72 -4.877 -21.515 -6.528 1.00 0.00 C ATOM 1161 O ALA A 72 -4.292 -22.494 -6.990 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.176 -21.550 -7.502 1.00 0.00 C ATOM 0 H ALA A 72 -5.786 -20.970 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.107 -19.791 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.587 -21.746 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.900 -20.987 -8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.961 -22.496 -7.999 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.675 -21.071 -5.295 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.728 -21.730 -4.403 1.00 0.00 C ATOM 1170 C VAL A 73 -4.369 -22.942 -3.745 1.00 0.00 C ATOM 1171 O VAL A 73 -4.132 -23.220 -2.569 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.266 -20.758 -3.322 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.552 -19.580 -3.981 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -4.478 -20.249 -2.539 1.00 0.00 C ATOM 0 H VAL A 73 -5.150 -20.264 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.872 -22.056 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.584 -21.265 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.219 -18.881 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.690 -19.944 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.237 -19.073 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.147 -19.555 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.161 -19.738 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.991 -21.091 -2.074 1.00 0.00 H new