USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 155:sc= -0.161 (180deg=-0.846) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.673 (180deg=0.365) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0391 USER MOD Single : A 5 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.51) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -113:sc= 0.0473 (180deg=-1.73) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.506 USER MOD Single : A 44 MET CE :methyl -150:sc= -1.18 (180deg=-2.98!) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= 1.65 (180deg=1.52) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= -0.039 (180deg=-0.0505) USER MOD Single : A 66 ASN : amide:sc= 1.11 K(o=1.1,f=-0.28) USER MOD Single : A 68 LYS NZ :NH3+ 171:sc=-0.00944 (180deg=-0.117) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 74 THR OG1 : rot 52:sc= 0.744 USER MOD Single : A 75 LYS NZ :NH3+ 139:sc= -0.0732 (180deg=-0.44) USER MOD Single : A 76 TYR OH : rot 80:sc= 1.15 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0.668 K(o=0.67,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.893 -7.119 3.407 1.00 0.00 N ATOM 2 CA MET A 1 16.132 -5.914 3.823 1.00 0.00 C ATOM 3 C MET A 1 15.058 -5.576 2.796 1.00 0.00 C ATOM 4 O MET A 1 13.993 -5.079 3.145 1.00 0.00 O ATOM 5 CB MET A 1 17.066 -4.708 3.998 1.00 0.00 C ATOM 6 CG MET A 1 18.108 -4.874 5.098 1.00 0.00 C ATOM 7 SD MET A 1 19.384 -6.079 4.677 1.00 0.00 S ATOM 8 CE MET A 1 20.154 -5.267 3.275 1.00 0.00 C ATOM 0 H1 MET A 1 17.732 -7.226 4.013 1.00 0.00 H new ATOM 0 H2 MET A 1 16.289 -7.960 3.500 1.00 0.00 H new ATOM 0 H3 MET A 1 17.192 -7.016 2.416 1.00 0.00 H new ATOM 0 HA MET A 1 15.658 -6.137 4.779 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.578 -4.520 3.054 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.464 -3.826 4.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.576 -3.910 5.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.612 -5.183 6.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.182 -5.614 3.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.600 -5.505 2.367 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.148 -4.188 3.431 1.00 0.00 H new ATOM 20 N ALA A 2 15.344 -5.849 1.528 1.00 0.00 N ATOM 21 CA ALA A 2 14.410 -5.542 0.454 1.00 0.00 C ATOM 22 C ALA A 2 13.335 -6.619 0.341 1.00 0.00 C ATOM 23 O ALA A 2 13.638 -7.809 0.234 1.00 0.00 O ATOM 24 CB ALA A 2 15.156 -5.383 -0.866 1.00 0.00 C ATOM 0 H ALA A 2 16.215 -6.282 1.220 1.00 0.00 H new ATOM 0 HA ALA A 2 13.915 -4.599 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.445 -5.154 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.879 -4.571 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.678 -6.310 -1.103 1.00 0.00 H new ATOM 30 N ALA A 3 12.086 -6.189 0.366 1.00 0.00 N ATOM 31 CA ALA A 3 10.960 -7.087 0.231 1.00 0.00 C ATOM 32 C ALA A 3 10.407 -6.997 -1.176 1.00 0.00 C ATOM 33 O ALA A 3 10.104 -5.907 -1.662 1.00 0.00 O ATOM 34 CB ALA A 3 9.878 -6.757 1.253 1.00 0.00 C ATOM 0 H ALA A 3 11.827 -5.209 0.480 1.00 0.00 H new ATOM 0 HA ALA A 3 11.297 -8.106 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.041 -7.445 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.286 -6.855 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.532 -5.735 1.099 1.00 0.00 H new ATOM 40 N THR A 4 10.305 -8.132 -1.842 1.00 0.00 N ATOM 41 CA THR A 4 9.773 -8.157 -3.186 1.00 0.00 C ATOM 42 C THR A 4 8.251 -8.035 -3.162 1.00 0.00 C ATOM 43 O THR A 4 7.673 -7.686 -2.132 1.00 0.00 O ATOM 44 CB THR A 4 10.189 -9.438 -3.923 1.00 0.00 C ATOM 45 OG1 THR A 4 11.303 -10.045 -3.249 1.00 0.00 O ATOM 46 CG2 THR A 4 10.566 -9.111 -5.362 1.00 0.00 C ATOM 0 H THR A 4 10.582 -9.042 -1.475 1.00 0.00 H new ATOM 0 HA THR A 4 10.187 -7.304 -3.724 1.00 0.00 H new ATOM 0 HB THR A 4 9.352 -10.136 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.565 -10.863 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.860 -10.025 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.710 -8.667 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.398 -8.407 -5.369 1.00 0.00 H new ATOM 54 N GLN A 5 7.607 -8.342 -4.282 1.00 0.00 N ATOM 55 CA GLN A 5 6.182 -8.090 -4.440 1.00 0.00 C ATOM 56 C GLN A 5 5.361 -8.774 -3.353 1.00 0.00 C ATOM 57 O GLN A 5 4.640 -8.114 -2.619 1.00 0.00 O ATOM 58 CB GLN A 5 5.703 -8.557 -5.814 1.00 0.00 C ATOM 59 CG GLN A 5 4.333 -8.018 -6.191 1.00 0.00 C ATOM 60 CD GLN A 5 3.839 -8.568 -7.510 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.149 -8.038 -8.572 1.00 0.00 O ATOM 62 NE2 GLN A 5 3.040 -9.621 -7.449 1.00 0.00 N ATOM 0 H GLN A 5 8.052 -8.767 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 5 6.035 -7.014 -4.350 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.427 -8.247 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.673 -9.646 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.619 -8.268 -5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.377 -6.930 -6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.807 -10.032 -6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.658 -10.021 -8.306 1.00 0.00 H new ATOM 71 N GLU A 6 5.500 -10.083 -3.219 1.00 0.00 N ATOM 72 CA GLU A 6 4.662 -10.840 -2.292 1.00 0.00 C ATOM 73 C GLU A 6 5.041 -10.553 -0.841 1.00 0.00 C ATOM 74 O GLU A 6 4.193 -10.582 0.047 1.00 0.00 O ATOM 75 CB GLU A 6 4.747 -12.334 -2.603 1.00 0.00 C ATOM 76 CG GLU A 6 6.146 -12.912 -2.512 1.00 0.00 C ATOM 77 CD GLU A 6 6.312 -14.122 -3.405 1.00 0.00 C ATOM 78 OE1 GLU A 6 5.927 -15.231 -2.986 1.00 0.00 O ATOM 79 OE2 GLU A 6 6.813 -13.962 -4.539 1.00 0.00 O ATOM 0 H GLU A 6 6.179 -10.644 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 6 3.628 -10.520 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.098 -12.874 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.360 -12.507 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.873 -12.150 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.358 -13.190 -1.480 1.00 0.00 H new ATOM 86 N GLU A 7 6.312 -10.254 -0.616 1.00 0.00 N ATOM 87 CA GLU A 7 6.789 -9.894 0.712 1.00 0.00 C ATOM 88 C GLU A 7 6.156 -8.584 1.162 1.00 0.00 C ATOM 89 O GLU A 7 5.546 -8.504 2.232 1.00 0.00 O ATOM 90 CB GLU A 7 8.309 -9.745 0.711 1.00 0.00 C ATOM 91 CG GLU A 7 9.062 -11.044 0.491 1.00 0.00 C ATOM 92 CD GLU A 7 8.875 -12.026 1.628 1.00 0.00 C ATOM 93 OE1 GLU A 7 9.170 -11.664 2.789 1.00 0.00 O ATOM 94 OE2 GLU A 7 8.442 -13.166 1.364 1.00 0.00 O ATOM 0 H GLU A 7 7.033 -10.253 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 7 6.507 -10.689 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.593 -9.037 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.621 -9.314 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.725 -11.502 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.124 -10.828 0.373 1.00 0.00 H new ATOM 101 N ILE A 8 6.288 -7.561 0.325 1.00 0.00 N ATOM 102 CA ILE A 8 5.755 -6.247 0.636 1.00 0.00 C ATOM 103 C ILE A 8 4.222 -6.293 0.612 1.00 0.00 C ATOM 104 O ILE A 8 3.565 -5.626 1.407 1.00 0.00 O ATOM 105 CB ILE A 8 6.317 -5.178 -0.346 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.231 -3.754 0.237 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.607 -5.246 -1.688 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.846 -3.137 0.225 1.00 0.00 C ATOM 0 H ILE A 8 6.762 -7.621 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 8 6.071 -5.958 1.638 1.00 0.00 H new ATOM 0 HB ILE A 8 7.372 -5.408 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.593 -3.776 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.905 -3.107 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.018 -4.489 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.751 -6.234 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.542 -5.064 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.890 -2.136 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.484 -3.075 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.167 -3.755 0.813 1.00 0.00 H new ATOM 120 N VAL A 9 3.665 -7.125 -0.272 1.00 0.00 N ATOM 121 CA VAL A 9 2.220 -7.315 -0.353 1.00 0.00 C ATOM 122 C VAL A 9 1.675 -7.885 0.953 1.00 0.00 C ATOM 123 O VAL A 9 0.601 -7.495 1.399 1.00 0.00 O ATOM 124 CB VAL A 9 1.829 -8.219 -1.556 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.519 -8.959 -1.318 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.711 -7.377 -2.817 1.00 0.00 C ATOM 0 H VAL A 9 4.198 -7.678 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 9 1.768 -6.337 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 9 2.616 -8.964 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.288 -9.577 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.614 -9.592 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.283 -8.238 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.437 -8.016 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.945 -6.615 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.667 -6.896 -3.024 1.00 0.00 H new ATOM 136 N ALA A 10 2.433 -8.785 1.577 1.00 0.00 N ATOM 137 CA ALA A 10 2.046 -9.344 2.869 1.00 0.00 C ATOM 138 C ALA A 10 1.996 -8.251 3.930 1.00 0.00 C ATOM 139 O ALA A 10 1.050 -8.180 4.719 1.00 0.00 O ATOM 140 CB ALA A 10 3.010 -10.442 3.292 1.00 0.00 C ATOM 0 H ALA A 10 3.315 -9.141 1.210 1.00 0.00 H new ATOM 0 HA ALA A 10 1.052 -9.778 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.702 -10.844 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.003 -11.239 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.016 -10.031 3.374 1.00 0.00 H new ATOM 146 N GLY A 11 3.015 -7.395 3.940 1.00 0.00 N ATOM 147 CA GLY A 11 3.046 -6.285 4.877 1.00 0.00 C ATOM 148 C GLY A 11 1.972 -5.256 4.573 1.00 0.00 C ATOM 149 O GLY A 11 1.341 -4.718 5.483 1.00 0.00 O ATOM 0 H GLY A 11 3.820 -7.450 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.911 -6.662 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.026 -5.808 4.842 1.00 0.00 H new ATOM 153 N LEU A 12 1.766 -4.994 3.285 1.00 0.00 N ATOM 154 CA LEU A 12 0.740 -4.063 2.820 1.00 0.00 C ATOM 155 C LEU A 12 -0.645 -4.585 3.215 1.00 0.00 C ATOM 156 O LEU A 12 -1.453 -3.860 3.793 1.00 0.00 O ATOM 157 CB LEU A 12 0.848 -3.906 1.292 1.00 0.00 C ATOM 158 CG LEU A 12 0.619 -2.498 0.720 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.811 -2.043 0.943 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.602 -1.501 1.320 1.00 0.00 C ATOM 0 H LEU A 12 2.306 -5.421 2.533 1.00 0.00 H new ATOM 0 HA LEU A 12 0.887 -3.088 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.840 -4.239 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.128 -4.581 0.830 1.00 0.00 H new ATOM 0 HG LEU A 12 0.794 -2.543 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.944 -1.044 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.494 -2.734 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.024 -2.023 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.420 -0.512 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.470 -1.465 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.621 -1.811 1.089 1.00 0.00 H new ATOM 172 N ALA A 13 -0.889 -5.860 2.922 1.00 0.00 N ATOM 173 CA ALA A 13 -2.150 -6.518 3.256 1.00 0.00 C ATOM 174 C ALA A 13 -2.445 -6.408 4.739 1.00 0.00 C ATOM 175 O ALA A 13 -3.537 -6.001 5.143 1.00 0.00 O ATOM 176 CB ALA A 13 -2.093 -7.985 2.857 1.00 0.00 C ATOM 0 H ALA A 13 -0.219 -6.465 2.447 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.948 -6.019 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.037 -8.468 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.921 -8.064 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.280 -8.476 3.392 1.00 0.00 H new ATOM 182 N GLU A 14 -1.449 -6.761 5.534 1.00 0.00 N ATOM 183 CA GLU A 14 -1.550 -6.731 6.983 1.00 0.00 C ATOM 184 C GLU A 14 -1.971 -5.352 7.476 1.00 0.00 C ATOM 185 O GLU A 14 -2.763 -5.227 8.411 1.00 0.00 O ATOM 186 CB GLU A 14 -0.193 -7.104 7.582 1.00 0.00 C ATOM 187 CG GLU A 14 -0.170 -7.125 9.100 1.00 0.00 C ATOM 188 CD GLU A 14 1.193 -7.484 9.653 1.00 0.00 C ATOM 189 OE1 GLU A 14 2.054 -6.589 9.752 1.00 0.00 O ATOM 190 OE2 GLU A 14 1.412 -8.670 9.982 1.00 0.00 O ATOM 0 H GLU A 14 -0.543 -7.078 5.190 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.310 -7.446 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.098 -8.087 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.556 -6.395 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.466 -6.147 9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.906 -7.843 9.462 1.00 0.00 H new ATOM 197 N ILE A 15 -1.452 -4.322 6.831 1.00 0.00 N ATOM 198 CA ILE A 15 -1.648 -2.962 7.297 1.00 0.00 C ATOM 199 C ILE A 15 -2.942 -2.335 6.766 1.00 0.00 C ATOM 200 O ILE A 15 -3.577 -1.542 7.457 1.00 0.00 O ATOM 201 CB ILE A 15 -0.416 -2.095 6.955 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.198 -1.561 8.249 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.765 -0.960 6.001 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.555 -0.928 8.065 1.00 0.00 C ATOM 0 H ILE A 15 -0.891 -4.402 5.983 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.756 -3.002 8.381 1.00 0.00 H new ATOM 0 HB ILE A 15 0.314 -2.718 6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.479 -0.826 8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.283 -2.379 8.964 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.130 -0.376 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.159 -1.373 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.517 -0.317 6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.925 -0.574 9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.248 -1.665 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.474 -0.088 7.376 1.00 0.00 H new ATOM 216 N VAL A 16 -3.351 -2.690 5.555 1.00 0.00 N ATOM 217 CA VAL A 16 -4.609 -2.177 5.023 1.00 0.00 C ATOM 218 C VAL A 16 -5.771 -2.880 5.709 1.00 0.00 C ATOM 219 O VAL A 16 -6.886 -2.357 5.782 1.00 0.00 O ATOM 220 CB VAL A 16 -4.721 -2.351 3.497 1.00 0.00 C ATOM 221 CG1 VAL A 16 -5.999 -1.718 2.965 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.511 -1.757 2.807 1.00 0.00 C ATOM 0 H VAL A 16 -2.843 -3.318 4.932 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.639 -1.106 5.226 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.758 -3.419 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.051 -1.856 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.862 -2.191 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.000 -0.653 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.606 -1.888 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.445 -0.694 3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.609 -2.261 3.156 1.00 0.00 H new ATOM 232 N ASN A 17 -5.497 -4.072 6.220 1.00 0.00 N ATOM 233 CA ASN A 17 -6.470 -4.811 7.012 1.00 0.00 C ATOM 234 C ASN A 17 -6.797 -4.030 8.292 1.00 0.00 C ATOM 235 O ASN A 17 -7.874 -4.177 8.865 1.00 0.00 O ATOM 236 CB ASN A 17 -5.929 -6.210 7.345 1.00 0.00 C ATOM 237 CG ASN A 17 -6.982 -7.125 7.949 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.197 -7.136 9.161 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.632 -7.915 7.103 1.00 0.00 N ATOM 0 H ASN A 17 -4.604 -4.550 6.099 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.387 -4.931 6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.536 -6.667 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.095 -6.115 8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.340 -8.562 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.424 -7.875 6.105 1.00 0.00 H new ATOM 246 N GLU A 18 -5.860 -3.176 8.712 1.00 0.00 N ATOM 247 CA GLU A 18 -6.064 -2.284 9.854 1.00 0.00 C ATOM 248 C GLU A 18 -7.039 -1.169 9.494 1.00 0.00 C ATOM 249 O GLU A 18 -7.737 -0.630 10.354 1.00 0.00 O ATOM 250 CB GLU A 18 -4.733 -1.645 10.279 1.00 0.00 C ATOM 251 CG GLU A 18 -3.636 -2.650 10.602 1.00 0.00 C ATOM 252 CD GLU A 18 -3.770 -3.250 11.985 1.00 0.00 C ATOM 253 OE1 GLU A 18 -4.773 -3.944 12.249 1.00 0.00 O ATOM 254 OE2 GLU A 18 -2.863 -3.039 12.819 1.00 0.00 O ATOM 0 H GLU A 18 -4.944 -3.084 8.272 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.469 -2.879 10.673 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.386 -0.989 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.906 -1.019 11.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.655 -3.450 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.666 -2.160 10.517 1.00 0.00 H new ATOM 261 N ILE A 19 -7.074 -0.830 8.210 1.00 0.00 N ATOM 262 CA ILE A 19 -7.846 0.309 7.737 1.00 0.00 C ATOM 263 C ILE A 19 -9.255 -0.099 7.335 1.00 0.00 C ATOM 264 O ILE A 19 -10.237 0.462 7.816 1.00 0.00 O ATOM 265 CB ILE A 19 -7.166 0.968 6.516 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.706 1.298 6.829 1.00 0.00 C ATOM 267 CG2 ILE A 19 -7.928 2.218 6.095 1.00 0.00 C ATOM 268 CD1 ILE A 19 -4.952 1.923 5.671 1.00 0.00 C ATOM 0 H ILE A 19 -6.573 -1.332 7.476 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.896 1.017 8.564 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.183 0.263 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.673 1.978 7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.195 0.384 7.131 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.437 2.671 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.950 1.949 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.943 2.930 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.925 2.127 5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.952 1.237 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.437 2.855 5.382 1.00 0.00 H new ATOM 280 N ALA A 20 -9.348 -1.085 6.460 1.00 0.00 N ATOM 281 CA ALA A 20 -10.632 -1.499 5.929 1.00 0.00 C ATOM 282 C ALA A 20 -10.869 -2.980 6.178 1.00 0.00 C ATOM 283 O ALA A 20 -11.545 -3.348 7.134 1.00 0.00 O ATOM 284 CB ALA A 20 -10.720 -1.175 4.448 1.00 0.00 C ATOM 0 H ALA A 20 -8.551 -1.612 6.104 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.415 -0.945 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.689 -1.492 4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.605 -0.101 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.928 -1.700 3.913 1.00 0.00 H new ATOM 290 N GLY A 21 -10.311 -3.832 5.325 1.00 0.00 N ATOM 291 CA GLY A 21 -10.412 -5.253 5.567 1.00 0.00 C ATOM 292 C GLY A 21 -10.420 -6.101 4.311 1.00 0.00 C ATOM 293 O GLY A 21 -11.376 -6.830 4.068 1.00 0.00 O ATOM 0 H GLY A 21 -9.799 -3.567 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.577 -5.563 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.324 -5.450 6.130 1.00 0.00 H new ATOM 297 N ILE A 22 -9.373 -6.010 3.503 1.00 0.00 N ATOM 298 CA ILE A 22 -9.168 -6.991 2.445 1.00 0.00 C ATOM 299 C ILE A 22 -8.364 -8.153 3.014 1.00 0.00 C ATOM 300 O ILE A 22 -7.357 -7.933 3.694 1.00 0.00 O ATOM 301 CB ILE A 22 -8.425 -6.413 1.205 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.327 -5.470 0.395 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.905 -7.534 0.309 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.568 -6.129 -0.169 1.00 0.00 C ATOM 0 H ILE A 22 -8.663 -5.280 3.557 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.151 -7.311 2.100 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.578 -5.837 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.629 -4.638 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.748 -5.049 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.390 -7.104 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.212 -8.158 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.742 -8.141 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.149 -5.394 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.278 -6.942 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.172 -6.526 0.647 1.00 0.00 H new ATOM 316 N PRO A 23 -8.817 -9.400 2.795 1.00 0.00 N ATOM 317 CA PRO A 23 -8.066 -10.588 3.199 1.00 0.00 C ATOM 318 C PRO A 23 -6.642 -10.549 2.649 1.00 0.00 C ATOM 319 O PRO A 23 -6.424 -10.123 1.513 1.00 0.00 O ATOM 320 CB PRO A 23 -8.861 -11.758 2.594 1.00 0.00 C ATOM 321 CG PRO A 23 -9.850 -11.140 1.658 1.00 0.00 C ATOM 322 CD PRO A 23 -10.095 -9.747 2.158 1.00 0.00 C ATOM 0 HA PRO A 23 -7.963 -10.669 4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.202 -12.447 2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.365 -12.332 3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -9.463 -11.124 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.777 -11.714 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.341 -9.063 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.923 -9.711 2.866 1.00 0.00 H new ATOM 330 N VAL A 24 -5.679 -11.000 3.445 1.00 0.00 N ATOM 331 CA VAL A 24 -4.269 -10.875 3.085 1.00 0.00 C ATOM 332 C VAL A 24 -3.938 -11.658 1.814 1.00 0.00 C ATOM 333 O VAL A 24 -2.936 -11.395 1.152 1.00 0.00 O ATOM 334 CB VAL A 24 -3.334 -11.331 4.229 1.00 0.00 C ATOM 335 CG1 VAL A 24 -3.536 -10.465 5.466 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.551 -12.800 4.564 1.00 0.00 C ATOM 0 H VAL A 24 -5.847 -11.455 4.342 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.098 -9.814 2.901 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.306 -11.212 3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.869 -10.802 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.314 -9.426 5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.570 -10.546 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.880 -13.092 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.584 -12.953 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.345 -13.408 3.683 1.00 0.00 H new ATOM 346 N GLU A 25 -4.782 -12.626 1.485 1.00 0.00 N ATOM 347 CA GLU A 25 -4.598 -13.429 0.286 1.00 0.00 C ATOM 348 C GLU A 25 -5.123 -12.703 -0.952 1.00 0.00 C ATOM 349 O GLU A 25 -4.728 -13.008 -2.080 1.00 0.00 O ATOM 350 CB GLU A 25 -5.306 -14.778 0.442 1.00 0.00 C ATOM 351 CG GLU A 25 -6.792 -14.664 0.736 1.00 0.00 C ATOM 352 CD GLU A 25 -7.464 -16.016 0.846 1.00 0.00 C ATOM 353 OE1 GLU A 25 -7.277 -16.694 1.876 1.00 0.00 O ATOM 354 OE2 GLU A 25 -8.161 -16.414 -0.107 1.00 0.00 O ATOM 0 H GLU A 25 -5.604 -12.874 2.035 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.529 -13.597 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.170 -15.356 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.828 -15.337 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.934 -14.114 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.272 -14.086 -0.053 1.00 0.00 H new ATOM 361 N ASP A 26 -6.005 -11.728 -0.743 1.00 0.00 N ATOM 362 CA ASP A 26 -6.680 -11.070 -1.857 1.00 0.00 C ATOM 363 C ASP A 26 -5.999 -9.764 -2.215 1.00 0.00 C ATOM 364 O ASP A 26 -6.338 -9.135 -3.214 1.00 0.00 O ATOM 365 CB ASP A 26 -8.145 -10.801 -1.532 1.00 0.00 C ATOM 366 CG ASP A 26 -9.019 -10.904 -2.764 1.00 0.00 C ATOM 367 OD1 ASP A 26 -9.489 -12.020 -3.063 1.00 0.00 O ATOM 368 OD2 ASP A 26 -9.233 -9.876 -3.437 1.00 0.00 O ATOM 0 H ASP A 26 -6.267 -11.379 0.179 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.623 -11.746 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.488 -11.513 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.245 -9.807 -1.097 1.00 0.00 H new ATOM 373 N VAL A 27 -5.055 -9.340 -1.389 1.00 0.00 N ATOM 374 CA VAL A 27 -4.283 -8.148 -1.693 1.00 0.00 C ATOM 375 C VAL A 27 -3.411 -8.409 -2.906 1.00 0.00 C ATOM 376 O VAL A 27 -2.463 -9.192 -2.864 1.00 0.00 O ATOM 377 CB VAL A 27 -3.443 -7.668 -0.494 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.528 -6.516 -0.893 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.365 -7.238 0.636 1.00 0.00 C ATOM 0 H VAL A 27 -4.808 -9.799 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.981 -7.341 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.817 -8.494 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.947 -6.197 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.853 -6.845 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.130 -5.682 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.769 -6.899 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.005 -6.425 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.983 -8.082 0.942 1.00 0.00 H new ATOM 389 N LYS A 28 -3.770 -7.756 -3.992 1.00 0.00 N ATOM 390 CA LYS A 28 -3.189 -8.020 -5.288 1.00 0.00 C ATOM 391 C LYS A 28 -2.881 -6.710 -5.972 1.00 0.00 C ATOM 392 O LYS A 28 -3.404 -5.664 -5.587 1.00 0.00 O ATOM 393 CB LYS A 28 -4.171 -8.818 -6.151 1.00 0.00 C ATOM 394 CG LYS A 28 -4.520 -10.182 -5.584 1.00 0.00 C ATOM 395 CD LYS A 28 -5.782 -10.747 -6.215 1.00 0.00 C ATOM 396 CE LYS A 28 -5.609 -11.007 -7.701 1.00 0.00 C ATOM 397 NZ LYS A 28 -6.848 -11.568 -8.303 1.00 0.00 N ATOM 0 H LYS A 28 -4.478 -7.022 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.274 -8.597 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.087 -8.240 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.744 -8.947 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.690 -10.869 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.656 -10.104 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.053 -11.676 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.606 -10.050 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.346 -10.078 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.782 -11.699 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.696 -11.734 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.084 -12.467 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.631 -10.896 -8.175 1.00 0.00 H new ATOM 411 N LEU A 29 -2.073 -6.768 -7.005 1.00 0.00 N ATOM 412 CA LEU A 29 -1.761 -5.586 -7.787 1.00 0.00 C ATOM 413 C LEU A 29 -2.944 -5.212 -8.672 1.00 0.00 C ATOM 414 O LEU A 29 -2.925 -4.195 -9.365 1.00 0.00 O ATOM 415 CB LEU A 29 -0.510 -5.825 -8.643 1.00 0.00 C ATOM 416 CG LEU A 29 0.828 -5.477 -7.976 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.988 -6.189 -6.639 1.00 0.00 C ATOM 418 CD2 LEU A 29 1.982 -5.815 -8.902 1.00 0.00 C ATOM 0 H LEU A 29 -1.617 -7.622 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.561 -4.760 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.487 -6.875 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.602 -5.241 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 29 0.835 -4.405 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.946 -5.919 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.181 -5.891 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.951 -7.267 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.924 -5.563 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.965 -6.881 -9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.886 -5.244 -9.826 1.00 0.00 H new ATOM 430 N ASP A 30 -3.980 -6.034 -8.618 1.00 0.00 N ATOM 431 CA ASP A 30 -5.102 -5.909 -9.530 1.00 0.00 C ATOM 432 C ASP A 30 -6.329 -5.290 -8.867 1.00 0.00 C ATOM 433 O ASP A 30 -7.311 -5.001 -9.547 1.00 0.00 O ATOM 434 CB ASP A 30 -5.481 -7.285 -10.085 1.00 0.00 C ATOM 435 CG ASP A 30 -4.283 -8.104 -10.522 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.716 -8.825 -9.674 1.00 0.00 O ATOM 437 OD2 ASP A 30 -3.900 -8.030 -11.708 1.00 0.00 O ATOM 0 H ASP A 30 -4.066 -6.798 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.783 -5.245 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.032 -7.837 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.153 -7.155 -10.933 1.00 0.00 H new ATOM 442 N LYS A 31 -6.303 -5.088 -7.551 1.00 0.00 N ATOM 443 CA LYS A 31 -7.467 -4.539 -6.883 1.00 0.00 C ATOM 444 C LYS A 31 -7.240 -3.068 -6.548 1.00 0.00 C ATOM 445 O LYS A 31 -6.130 -2.650 -6.194 1.00 0.00 O ATOM 446 CB LYS A 31 -7.825 -5.378 -5.650 1.00 0.00 C ATOM 447 CG LYS A 31 -7.081 -5.020 -4.382 1.00 0.00 C ATOM 448 CD LYS A 31 -7.080 -6.163 -3.388 1.00 0.00 C ATOM 449 CE LYS A 31 -8.485 -6.501 -2.908 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.251 -7.340 -3.869 1.00 0.00 N ATOM 0 H LYS A 31 -5.508 -5.292 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.324 -4.585 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.894 -5.280 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.636 -6.427 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.054 -4.751 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.540 -4.143 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.632 -7.044 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.458 -5.899 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.419 -7.023 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.032 -5.576 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.045 -6.790 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.626 -7.636 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.618 -8.181 -3.380 1.00 0.00 H new ATOM 464 N SER A 32 -8.284 -2.277 -6.693 1.00 0.00 N ATOM 465 CA SER A 32 -8.170 -0.836 -6.562 1.00 0.00 C ATOM 466 C SER A 32 -8.244 -0.410 -5.098 1.00 0.00 C ATOM 467 O SER A 32 -9.119 -0.850 -4.359 1.00 0.00 O ATOM 468 CB SER A 32 -9.274 -0.157 -7.375 1.00 0.00 C ATOM 469 OG SER A 32 -9.289 -0.630 -8.712 1.00 0.00 O ATOM 0 H SER A 32 -9.226 -2.608 -6.903 1.00 0.00 H new ATOM 0 HA SER A 32 -7.199 -0.527 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.241 -0.345 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.122 0.922 -7.370 1.00 0.00 H new ATOM 0 HG SER A 32 -10.004 -0.182 -9.210 1.00 0.00 H new ATOM 475 N PHE A 33 -7.316 0.444 -4.689 1.00 0.00 N ATOM 476 CA PHE A 33 -7.267 0.936 -3.317 1.00 0.00 C ATOM 477 C PHE A 33 -8.549 1.681 -2.978 1.00 0.00 C ATOM 478 O PHE A 33 -9.183 1.426 -1.958 1.00 0.00 O ATOM 479 CB PHE A 33 -6.065 1.865 -3.130 1.00 0.00 C ATOM 480 CG PHE A 33 -5.126 1.440 -2.040 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.595 1.171 -0.767 1.00 0.00 C ATOM 482 CD2 PHE A 33 -3.771 1.303 -2.292 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.734 0.775 0.235 1.00 0.00 C ATOM 484 CE2 PHE A 33 -2.903 0.907 -1.294 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.387 0.642 -0.027 1.00 0.00 C ATOM 0 H PHE A 33 -6.581 0.813 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.165 0.082 -2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.513 1.921 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.427 2.870 -2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.649 1.272 -0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.389 1.508 -3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.115 0.569 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.848 0.805 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.711 0.331 0.756 1.00 0.00 H new ATOM 495 N THR A 34 -8.939 2.580 -3.855 1.00 0.00 N ATOM 496 CA THR A 34 -10.123 3.380 -3.646 1.00 0.00 C ATOM 497 C THR A 34 -11.396 2.540 -3.769 1.00 0.00 C ATOM 498 O THR A 34 -12.364 2.750 -3.041 1.00 0.00 O ATOM 499 CB THR A 34 -10.154 4.530 -4.665 1.00 0.00 C ATOM 500 OG1 THR A 34 -9.829 4.017 -5.966 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.159 5.619 -4.286 1.00 0.00 C ATOM 0 H THR A 34 -8.447 2.775 -4.727 1.00 0.00 H new ATOM 0 HA THR A 34 -10.086 3.784 -2.634 1.00 0.00 H new ATOM 0 HB THR A 34 -11.154 4.964 -4.671 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.849 4.747 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.200 6.422 -5.022 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.411 6.016 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.153 5.200 -4.261 1.00 0.00 H new ATOM 509 N ASP A 35 -11.375 1.569 -4.676 1.00 0.00 N ATOM 510 CA ASP A 35 -12.569 0.788 -4.980 1.00 0.00 C ATOM 511 C ASP A 35 -12.656 -0.467 -4.114 1.00 0.00 C ATOM 512 O ASP A 35 -13.499 -0.563 -3.222 1.00 0.00 O ATOM 513 CB ASP A 35 -12.574 0.399 -6.460 1.00 0.00 C ATOM 514 CG ASP A 35 -13.872 -0.254 -6.891 1.00 0.00 C ATOM 515 OD1 ASP A 35 -14.043 -1.465 -6.657 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.716 0.437 -7.498 1.00 0.00 O ATOM 0 H ASP A 35 -10.548 1.305 -5.212 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.438 1.408 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.402 1.289 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.747 -0.284 -6.654 1.00 0.00 H new ATOM 521 N ASP A 36 -11.752 -1.407 -4.364 1.00 0.00 N ATOM 522 CA ASP A 36 -11.786 -2.724 -3.726 1.00 0.00 C ATOM 523 C ASP A 36 -11.394 -2.650 -2.264 1.00 0.00 C ATOM 524 O ASP A 36 -12.033 -3.263 -1.411 1.00 0.00 O ATOM 525 CB ASP A 36 -10.846 -3.698 -4.437 1.00 0.00 C ATOM 526 CG ASP A 36 -11.260 -3.983 -5.862 1.00 0.00 C ATOM 527 OD1 ASP A 36 -12.047 -4.927 -6.074 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.786 -3.272 -6.772 1.00 0.00 O ATOM 0 H ASP A 36 -10.975 -1.281 -5.013 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.813 -3.081 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.836 -3.288 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.812 -4.634 -3.880 1.00 0.00 H new ATOM 533 N LEU A 37 -10.336 -1.901 -1.977 1.00 0.00 N ATOM 534 CA LEU A 37 -9.843 -1.775 -0.610 1.00 0.00 C ATOM 535 C LEU A 37 -10.822 -0.955 0.219 1.00 0.00 C ATOM 536 O LEU A 37 -10.756 -0.967 1.441 1.00 0.00 O ATOM 537 CB LEU A 37 -8.447 -1.120 -0.563 1.00 0.00 C ATOM 538 CG LEU A 37 -7.248 -1.979 -1.009 1.00 0.00 C ATOM 539 CD1 LEU A 37 -7.051 -3.163 -0.091 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.414 -2.457 -2.434 1.00 0.00 C ATOM 0 H LEU A 37 -9.804 -1.373 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.756 -2.779 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.472 -0.227 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.264 -0.790 0.459 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.363 -1.345 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.198 -3.750 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.867 -2.810 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.946 -3.785 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.552 -3.060 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.319 -3.059 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.491 -1.597 -3.100 1.00 0.00 H new ATOM 552 N ASP A 38 -11.726 -0.243 -0.467 1.00 0.00 N ATOM 553 CA ASP A 38 -12.745 0.590 0.190 1.00 0.00 C ATOM 554 C ASP A 38 -12.068 1.668 1.033 1.00 0.00 C ATOM 555 O ASP A 38 -12.606 2.133 2.037 1.00 0.00 O ATOM 556 CB ASP A 38 -13.675 -0.279 1.061 1.00 0.00 C ATOM 557 CG ASP A 38 -14.926 0.454 1.511 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.728 0.857 0.638 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.130 0.610 2.733 1.00 0.00 O ATOM 0 H ASP A 38 -11.773 -0.227 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.353 1.073 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.964 -1.167 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.126 -0.621 1.938 1.00 0.00 H new ATOM 564 N VAL A 39 -10.888 2.087 0.601 1.00 0.00 N ATOM 565 CA VAL A 39 -10.070 2.980 1.395 1.00 0.00 C ATOM 566 C VAL A 39 -10.344 4.441 1.031 1.00 0.00 C ATOM 567 O VAL A 39 -10.639 4.763 -0.124 1.00 0.00 O ATOM 568 CB VAL A 39 -8.565 2.651 1.219 1.00 0.00 C ATOM 569 CG1 VAL A 39 -7.924 3.496 0.131 1.00 0.00 C ATOM 570 CG2 VAL A 39 -7.828 2.807 2.535 1.00 0.00 C ATOM 0 H VAL A 39 -10.479 1.821 -0.295 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.334 2.834 2.442 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.490 1.611 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.870 3.234 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.427 3.310 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.015 4.551 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.773 2.572 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.926 3.834 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.254 2.128 3.273 1.00 0.00 H new ATOM 580 N ASP A 40 -10.280 5.315 2.025 1.00 0.00 N ATOM 581 CA ASP A 40 -10.431 6.744 1.799 1.00 0.00 C ATOM 582 C ASP A 40 -9.053 7.378 1.676 1.00 0.00 C ATOM 583 O ASP A 40 -8.064 6.806 2.146 1.00 0.00 O ATOM 584 CB ASP A 40 -11.217 7.389 2.947 1.00 0.00 C ATOM 585 CG ASP A 40 -11.594 8.833 2.670 1.00 0.00 C ATOM 586 OD1 ASP A 40 -10.774 9.732 2.940 1.00 0.00 O ATOM 587 OD2 ASP A 40 -12.720 9.068 2.175 1.00 0.00 O ATOM 0 H ASP A 40 -10.124 5.057 3.000 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.988 6.907 0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.123 6.811 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.621 7.343 3.859 1.00 0.00 H new ATOM 592 N SER A 41 -8.992 8.552 1.058 1.00 0.00 N ATOM 593 CA SER A 41 -7.732 9.237 0.803 1.00 0.00 C ATOM 594 C SER A 41 -6.910 9.402 2.082 1.00 0.00 C ATOM 595 O SER A 41 -5.699 9.171 2.085 1.00 0.00 O ATOM 596 CB SER A 41 -8.004 10.602 0.169 1.00 0.00 C ATOM 597 OG SER A 41 -8.773 10.464 -1.015 1.00 0.00 O ATOM 0 H SER A 41 -9.813 9.054 0.721 1.00 0.00 H new ATOM 0 HA SER A 41 -7.149 8.625 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.532 11.239 0.879 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.060 11.096 -0.061 1.00 0.00 H new ATOM 0 HG SER A 41 -8.937 11.349 -1.403 1.00 0.00 H new ATOM 603 N LEU A 42 -7.565 9.768 3.173 1.00 0.00 N ATOM 604 CA LEU A 42 -6.856 9.954 4.429 1.00 0.00 C ATOM 605 C LEU A 42 -6.475 8.593 5.011 1.00 0.00 C ATOM 606 O LEU A 42 -5.340 8.384 5.436 1.00 0.00 O ATOM 607 CB LEU A 42 -7.715 10.743 5.426 1.00 0.00 C ATOM 608 CG LEU A 42 -6.945 11.694 6.351 1.00 0.00 C ATOM 609 CD1 LEU A 42 -5.859 10.956 7.116 1.00 0.00 C ATOM 610 CD2 LEU A 42 -6.346 12.838 5.551 1.00 0.00 C ATOM 0 H LEU A 42 -8.570 9.940 3.215 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.949 10.527 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.449 11.323 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.270 10.035 6.042 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.648 12.102 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.330 11.656 7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.311 10.171 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.156 10.511 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.803 13.505 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.662 12.439 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.143 13.392 5.056 1.00 0.00 H new ATOM 622 N SER A 43 -7.430 7.672 5.001 1.00 0.00 N ATOM 623 CA SER A 43 -7.231 6.330 5.532 1.00 0.00 C ATOM 624 C SER A 43 -5.982 5.669 4.939 1.00 0.00 C ATOM 625 O SER A 43 -5.100 5.195 5.671 1.00 0.00 O ATOM 626 CB SER A 43 -8.457 5.488 5.210 1.00 0.00 C ATOM 627 OG SER A 43 -9.642 6.154 5.609 1.00 0.00 O ATOM 0 H SER A 43 -8.364 7.834 4.625 1.00 0.00 H new ATOM 0 HA SER A 43 -7.089 6.401 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.492 5.283 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.387 4.526 5.717 1.00 0.00 H new ATOM 0 HG SER A 43 -10.419 5.597 5.392 1.00 0.00 H new ATOM 633 N MET A 44 -5.917 5.652 3.611 1.00 0.00 N ATOM 634 CA MET A 44 -4.798 5.052 2.903 1.00 0.00 C ATOM 635 C MET A 44 -3.490 5.720 3.290 1.00 0.00 C ATOM 636 O MET A 44 -2.540 5.051 3.667 1.00 0.00 O ATOM 637 CB MET A 44 -5.012 5.109 1.382 1.00 0.00 C ATOM 638 CG MET A 44 -5.302 6.496 0.832 1.00 0.00 C ATOM 639 SD MET A 44 -6.034 6.458 -0.817 1.00 0.00 S ATOM 640 CE MET A 44 -4.931 5.332 -1.670 1.00 0.00 C ATOM 0 H MET A 44 -6.633 6.050 3.003 1.00 0.00 H new ATOM 0 HA MET A 44 -4.742 4.003 3.195 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.123 4.716 0.889 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.839 4.449 1.120 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.976 7.017 1.512 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.376 7.070 0.800 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.891 5.594 -2.727 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.932 5.405 -1.240 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.299 4.311 -1.563 1.00 0.00 H new ATOM 650 N VAL A 45 -3.445 7.038 3.248 1.00 0.00 N ATOM 651 CA VAL A 45 -2.217 7.739 3.574 1.00 0.00 C ATOM 652 C VAL A 45 -1.792 7.465 5.024 1.00 0.00 C ATOM 653 O VAL A 45 -0.612 7.473 5.337 1.00 0.00 O ATOM 654 CB VAL A 45 -2.359 9.259 3.328 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.107 10.012 3.754 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.655 9.523 1.861 1.00 0.00 C ATOM 0 H VAL A 45 -4.231 7.637 2.996 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.437 7.360 2.913 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.189 9.622 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.242 11.077 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.929 9.850 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.252 9.649 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.753 10.596 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.840 9.136 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.585 9.027 1.582 1.00 0.00 H new ATOM 666 N GLU A 46 -2.743 7.147 5.892 1.00 0.00 N ATOM 667 CA GLU A 46 -2.423 6.980 7.303 1.00 0.00 C ATOM 668 C GLU A 46 -1.679 5.669 7.562 1.00 0.00 C ATOM 669 O GLU A 46 -0.489 5.679 7.903 1.00 0.00 O ATOM 670 CB GLU A 46 -3.698 7.023 8.158 1.00 0.00 C ATOM 671 CG GLU A 46 -3.416 6.898 9.644 1.00 0.00 C ATOM 672 CD GLU A 46 -4.659 6.985 10.505 1.00 0.00 C ATOM 673 OE1 GLU A 46 -5.359 8.017 10.452 1.00 0.00 O ATOM 674 OE2 GLU A 46 -4.921 6.031 11.267 1.00 0.00 O ATOM 0 H GLU A 46 -3.723 7.002 5.651 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.771 7.807 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.224 7.959 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.363 6.216 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.919 5.946 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.722 7.684 9.941 1.00 0.00 H new ATOM 681 N VAL A 47 -2.338 4.536 7.347 1.00 0.00 N ATOM 682 CA VAL A 47 -1.730 3.273 7.717 1.00 0.00 C ATOM 683 C VAL A 47 -0.897 2.706 6.570 1.00 0.00 C ATOM 684 O VAL A 47 0.001 1.901 6.788 1.00 0.00 O ATOM 685 CB VAL A 47 -2.788 2.255 8.190 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.134 1.016 8.776 1.00 0.00 C ATOM 687 CG2 VAL A 47 -3.714 2.889 9.219 1.00 0.00 C ATOM 0 H VAL A 47 -3.267 4.469 6.930 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.060 3.465 8.555 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.373 1.955 7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.905 0.317 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.509 0.542 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.518 1.299 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.454 2.157 9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.131 3.219 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.221 3.745 8.774 1.00 0.00 H new ATOM 697 N VAL A 48 -1.150 3.161 5.350 1.00 0.00 N ATOM 698 CA VAL A 48 -0.354 2.698 4.221 1.00 0.00 C ATOM 699 C VAL A 48 0.979 3.456 4.184 1.00 0.00 C ATOM 700 O VAL A 48 1.962 2.970 3.632 1.00 0.00 O ATOM 701 CB VAL A 48 -1.107 2.808 2.871 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.312 2.174 1.733 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.472 2.144 2.981 1.00 0.00 C ATOM 0 H VAL A 48 -1.881 3.834 5.119 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.158 1.636 4.366 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.233 3.867 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.870 2.270 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.648 2.680 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.145 1.119 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.994 2.226 2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.345 1.092 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.055 2.638 3.758 1.00 0.00 H new ATOM 713 N VAL A 49 1.025 4.634 4.808 1.00 0.00 N ATOM 714 CA VAL A 49 2.306 5.296 5.055 1.00 0.00 C ATOM 715 C VAL A 49 3.012 4.612 6.221 1.00 0.00 C ATOM 716 O VAL A 49 4.235 4.534 6.273 1.00 0.00 O ATOM 717 CB VAL A 49 2.146 6.811 5.316 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.310 7.385 6.115 1.00 0.00 C ATOM 719 CG2 VAL A 49 2.012 7.543 3.990 1.00 0.00 C ATOM 0 H VAL A 49 0.207 5.141 5.146 1.00 0.00 H new ATOM 0 HA VAL A 49 2.914 5.203 4.155 1.00 0.00 H new ATOM 0 HB VAL A 49 1.245 6.952 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.152 8.452 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.373 6.881 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.239 7.233 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.899 8.611 4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.904 7.371 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.137 7.172 3.457 1.00 0.00 H new ATOM 729 N ALA A 50 2.238 4.082 7.151 1.00 0.00 N ATOM 730 CA ALA A 50 2.805 3.206 8.162 1.00 0.00 C ATOM 731 C ALA A 50 3.410 1.966 7.487 1.00 0.00 C ATOM 732 O ALA A 50 4.332 1.342 8.010 1.00 0.00 O ATOM 733 CB ALA A 50 1.750 2.818 9.188 1.00 0.00 C ATOM 0 H ALA A 50 1.233 4.238 7.228 1.00 0.00 H new ATOM 0 HA ALA A 50 3.598 3.734 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.194 2.162 9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.367 3.716 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.932 2.298 8.690 1.00 0.00 H new ATOM 739 N ALA A 51 2.892 1.635 6.303 1.00 0.00 N ATOM 740 CA ALA A 51 3.384 0.502 5.529 1.00 0.00 C ATOM 741 C ALA A 51 4.628 0.868 4.727 1.00 0.00 C ATOM 742 O ALA A 51 5.532 0.050 4.580 1.00 0.00 O ATOM 743 CB ALA A 51 2.302 -0.017 4.599 1.00 0.00 C ATOM 0 H ALA A 51 2.126 2.142 5.859 1.00 0.00 H new ATOM 0 HA ALA A 51 3.656 -0.283 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.687 -0.863 4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.441 -0.337 5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.000 0.775 3.914 1.00 0.00 H new ATOM 749 N GLU A 52 4.684 2.094 4.214 1.00 0.00 N ATOM 750 CA GLU A 52 5.828 2.507 3.418 1.00 0.00 C ATOM 751 C GLU A 52 7.081 2.505 4.285 1.00 0.00 C ATOM 752 O GLU A 52 8.117 1.949 3.921 1.00 0.00 O ATOM 753 CB GLU A 52 5.618 3.895 2.790 1.00 0.00 C ATOM 754 CG GLU A 52 5.518 5.032 3.793 1.00 0.00 C ATOM 755 CD GLU A 52 5.975 6.358 3.232 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.154 6.444 2.013 1.00 0.00 O ATOM 757 OE2 GLU A 52 6.174 7.310 4.021 1.00 0.00 O ATOM 0 H GLU A 52 3.963 2.805 4.334 1.00 0.00 H new ATOM 0 HA GLU A 52 5.945 1.795 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.444 4.100 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.708 3.875 2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.485 5.123 4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.118 4.789 4.670 1.00 0.00 H new ATOM 764 N GLU A 53 6.949 3.067 5.471 1.00 0.00 N ATOM 765 CA GLU A 53 8.082 3.300 6.334 1.00 0.00 C ATOM 766 C GLU A 53 8.579 2.017 6.994 1.00 0.00 C ATOM 767 O GLU A 53 9.731 1.946 7.415 1.00 0.00 O ATOM 768 CB GLU A 53 7.720 4.332 7.386 1.00 0.00 C ATOM 769 CG GLU A 53 7.220 5.641 6.802 1.00 0.00 C ATOM 770 CD GLU A 53 7.040 6.726 7.840 1.00 0.00 C ATOM 771 OE1 GLU A 53 6.178 6.575 8.729 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.770 7.737 7.777 1.00 0.00 O ATOM 0 H GLU A 53 6.056 3.372 5.859 1.00 0.00 H new ATOM 0 HA GLU A 53 8.898 3.677 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.953 3.919 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.595 4.530 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.923 5.985 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.269 5.467 6.299 1.00 0.00 H new ATOM 779 N ARG A 54 7.729 0.993 7.080 1.00 0.00 N ATOM 780 CA ARG A 54 8.160 -0.278 7.666 1.00 0.00 C ATOM 781 C ARG A 54 9.008 -1.060 6.665 1.00 0.00 C ATOM 782 O ARG A 54 9.546 -2.120 6.982 1.00 0.00 O ATOM 783 CB ARG A 54 6.974 -1.126 8.154 1.00 0.00 C ATOM 784 CG ARG A 54 6.052 -1.608 7.052 1.00 0.00 C ATOM 785 CD ARG A 54 4.964 -2.528 7.588 1.00 0.00 C ATOM 786 NE ARG A 54 5.493 -3.819 8.040 1.00 0.00 N ATOM 787 CZ ARG A 54 4.749 -4.774 8.609 1.00 0.00 C ATOM 788 NH1 ARG A 54 3.465 -4.562 8.868 1.00 0.00 N ATOM 789 NH2 ARG A 54 5.294 -5.940 8.941 1.00 0.00 N ATOM 0 H ARG A 54 6.761 1.015 6.760 1.00 0.00 H new ATOM 0 HA ARG A 54 8.766 -0.046 8.542 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.360 -1.992 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.393 -0.540 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.593 -0.750 6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.634 -2.135 6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.454 -2.038 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.219 -2.696 6.810 1.00 0.00 H new ATOM 0 HE ARG A 54 6.489 -4.000 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.039 -3.666 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.904 -5.295 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.284 -6.110 8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.722 -6.665 9.375 1.00 0.00 H new ATOM 803 N PHE A 55 9.116 -0.524 5.455 1.00 0.00 N ATOM 804 CA PHE A 55 10.017 -1.069 4.448 1.00 0.00 C ATOM 805 C PHE A 55 11.075 -0.024 4.103 1.00 0.00 C ATOM 806 O PHE A 55 11.754 -0.110 3.076 1.00 0.00 O ATOM 807 CB PHE A 55 9.238 -1.501 3.203 1.00 0.00 C ATOM 808 CG PHE A 55 8.295 -2.645 3.462 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.775 -3.939 3.595 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.934 -2.426 3.579 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.912 -4.991 3.840 1.00 0.00 C ATOM 812 CE2 PHE A 55 6.065 -3.474 3.823 1.00 0.00 C ATOM 813 CZ PHE A 55 6.554 -4.757 3.953 1.00 0.00 C ATOM 0 H PHE A 55 8.587 0.292 5.147 1.00 0.00 H new ATOM 0 HA PHE A 55 10.512 -1.955 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.672 -0.651 2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.943 -1.789 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.835 -4.127 3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.545 -1.424 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.298 -5.994 3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.005 -3.288 3.912 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.878 -5.577 4.143 1.00 0.00 H new ATOM 823 N ASP A 56 11.185 0.971 4.990 1.00 0.00 N ATOM 824 CA ASP A 56 12.207 2.018 4.909 1.00 0.00 C ATOM 825 C ASP A 56 12.132 2.809 3.612 1.00 0.00 C ATOM 826 O ASP A 56 13.133 2.981 2.918 1.00 0.00 O ATOM 827 CB ASP A 56 13.610 1.433 5.088 1.00 0.00 C ATOM 828 CG ASP A 56 13.863 0.971 6.506 1.00 0.00 C ATOM 829 OD1 ASP A 56 14.245 1.811 7.354 1.00 0.00 O ATOM 830 OD2 ASP A 56 13.689 -0.236 6.783 1.00 0.00 O ATOM 0 H ASP A 56 10.561 1.072 5.791 1.00 0.00 H new ATOM 0 HA ASP A 56 12.003 2.710 5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.741 0.593 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.352 2.184 4.815 1.00 0.00 H new ATOM 835 N VAL A 57 10.951 3.303 3.294 1.00 0.00 N ATOM 836 CA VAL A 57 10.784 4.194 2.156 1.00 0.00 C ATOM 837 C VAL A 57 9.944 5.393 2.577 1.00 0.00 C ATOM 838 O VAL A 57 9.200 5.308 3.554 1.00 0.00 O ATOM 839 CB VAL A 57 10.101 3.477 0.968 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.646 3.194 1.283 1.00 0.00 C ATOM 841 CG2 VAL A 57 10.226 4.292 -0.312 1.00 0.00 C ATOM 0 H VAL A 57 10.091 3.104 3.806 1.00 0.00 H new ATOM 0 HA VAL A 57 11.772 4.519 1.829 1.00 0.00 H new ATOM 0 HB VAL A 57 10.612 2.527 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.182 2.689 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.582 2.556 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.126 4.133 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.737 3.763 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.751 5.263 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.280 4.434 -0.551 1.00 0.00 H new ATOM 851 N LYS A 58 10.091 6.511 1.884 1.00 0.00 N ATOM 852 CA LYS A 58 9.218 7.640 2.124 1.00 0.00 C ATOM 853 C LYS A 58 8.739 8.234 0.808 1.00 0.00 C ATOM 854 O LYS A 58 9.522 8.801 0.042 1.00 0.00 O ATOM 855 CB LYS A 58 9.907 8.705 2.973 1.00 0.00 C ATOM 856 CG LYS A 58 8.939 9.758 3.477 1.00 0.00 C ATOM 857 CD LYS A 58 9.119 10.020 4.958 1.00 0.00 C ATOM 858 CE LYS A 58 7.799 10.395 5.608 1.00 0.00 C ATOM 859 NZ LYS A 58 6.886 9.223 5.718 1.00 0.00 N ATOM 0 H LYS A 58 10.797 6.657 1.162 1.00 0.00 H new ATOM 0 HA LYS A 58 8.352 7.279 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.396 8.228 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.688 9.186 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.088 10.685 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.916 9.433 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.527 9.132 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.841 10.823 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.986 10.805 6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.316 11.179 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.908 9.555 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.952 8.649 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.160 8.645 6.538 1.00 0.00 H new ATOM 873 N ILE A 59 7.453 8.083 0.554 1.00 0.00 N ATOM 874 CA ILE A 59 6.819 8.626 -0.630 1.00 0.00 C ATOM 875 C ILE A 59 5.998 9.854 -0.252 1.00 0.00 C ATOM 876 O ILE A 59 5.722 10.078 0.928 1.00 0.00 O ATOM 877 CB ILE A 59 5.902 7.576 -1.306 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.685 7.258 -0.429 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.680 6.300 -1.603 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.813 6.148 -0.979 1.00 0.00 C ATOM 0 H ILE A 59 6.815 7.576 1.168 1.00 0.00 H new ATOM 0 HA ILE A 59 7.599 8.904 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 59 5.546 8.000 -2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.029 6.979 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.083 8.160 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.020 5.574 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.510 6.527 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.067 5.885 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.972 5.978 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.439 6.433 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.399 5.233 -1.065 1.00 0.00 H new ATOM 892 N PRO A 60 5.619 10.686 -1.234 1.00 0.00 N ATOM 893 CA PRO A 60 4.787 11.864 -0.974 1.00 0.00 C ATOM 894 C PRO A 60 3.422 11.486 -0.400 1.00 0.00 C ATOM 895 O PRO A 60 2.773 10.554 -0.880 1.00 0.00 O ATOM 896 CB PRO A 60 4.625 12.507 -2.355 1.00 0.00 C ATOM 897 CG PRO A 60 5.733 11.948 -3.182 1.00 0.00 C ATOM 898 CD PRO A 60 5.973 10.562 -2.660 1.00 0.00 C ATOM 0 HA PRO A 60 5.239 12.527 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.653 12.270 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.690 13.593 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.461 11.927 -4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.632 12.559 -3.097 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.352 9.825 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.010 10.253 -2.794 1.00 0.00 H new ATOM 906 N ASP A 61 2.993 12.224 0.624 1.00 0.00 N ATOM 907 CA ASP A 61 1.703 11.987 1.282 1.00 0.00 C ATOM 908 C ASP A 61 0.577 11.905 0.264 1.00 0.00 C ATOM 909 O ASP A 61 -0.181 10.934 0.222 1.00 0.00 O ATOM 910 CB ASP A 61 1.380 13.119 2.266 1.00 0.00 C ATOM 911 CG ASP A 61 2.210 13.093 3.534 1.00 0.00 C ATOM 912 OD1 ASP A 61 3.444 13.262 3.452 1.00 0.00 O ATOM 913 OD2 ASP A 61 1.621 12.950 4.627 1.00 0.00 O ATOM 0 H ASP A 61 3.524 12.999 1.021 1.00 0.00 H new ATOM 0 HA ASP A 61 1.784 11.040 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.531 14.075 1.765 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.325 13.063 2.534 1.00 0.00 H new ATOM 918 N ASP A 62 0.494 12.926 -0.576 1.00 0.00 N ATOM 919 CA ASP A 62 -0.592 13.055 -1.532 1.00 0.00 C ATOM 920 C ASP A 62 -0.470 12.034 -2.656 1.00 0.00 C ATOM 921 O ASP A 62 -1.440 11.761 -3.355 1.00 0.00 O ATOM 922 CB ASP A 62 -0.634 14.469 -2.113 1.00 0.00 C ATOM 923 CG ASP A 62 0.485 14.749 -3.095 1.00 0.00 C ATOM 924 OD1 ASP A 62 1.664 14.738 -2.683 1.00 0.00 O ATOM 925 OD2 ASP A 62 0.182 15.005 -4.282 1.00 0.00 O ATOM 0 H ASP A 62 1.175 13.684 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.522 12.862 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.591 14.621 -2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.581 15.191 -1.298 1.00 0.00 H new ATOM 930 N ASP A 63 0.712 11.466 -2.835 1.00 0.00 N ATOM 931 CA ASP A 63 0.925 10.514 -3.917 1.00 0.00 C ATOM 932 C ASP A 63 0.283 9.169 -3.577 1.00 0.00 C ATOM 933 O ASP A 63 -0.039 8.387 -4.468 1.00 0.00 O ATOM 934 CB ASP A 63 2.416 10.334 -4.209 1.00 0.00 C ATOM 935 CG ASP A 63 2.708 10.156 -5.692 1.00 0.00 C ATOM 936 OD1 ASP A 63 1.833 9.666 -6.434 1.00 0.00 O ATOM 937 OD2 ASP A 63 3.823 10.514 -6.127 1.00 0.00 O ATOM 0 H ASP A 63 1.531 11.644 -2.253 1.00 0.00 H new ATOM 0 HA ASP A 63 0.452 10.913 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.962 11.201 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.786 9.466 -3.663 1.00 0.00 H new ATOM 942 N VAL A 64 0.073 8.903 -2.281 1.00 0.00 N ATOM 943 CA VAL A 64 -0.613 7.676 -1.868 1.00 0.00 C ATOM 944 C VAL A 64 -2.072 7.719 -2.313 1.00 0.00 C ATOM 945 O VAL A 64 -2.591 6.747 -2.842 1.00 0.00 O ATOM 946 CB VAL A 64 -0.554 7.414 -0.337 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.256 6.103 0.005 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.889 7.384 0.162 1.00 0.00 C ATOM 0 H VAL A 64 0.363 9.510 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.083 6.856 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.070 8.233 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.206 5.933 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.299 6.157 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.765 5.281 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.899 7.199 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.434 6.590 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.366 8.342 -0.045 1.00 0.00 H new ATOM 958 N LYS A 65 -2.726 8.861 -2.126 1.00 0.00 N ATOM 959 CA LYS A 65 -4.118 9.007 -2.553 1.00 0.00 C ATOM 960 C LYS A 65 -4.188 9.157 -4.073 1.00 0.00 C ATOM 961 O LYS A 65 -5.254 9.040 -4.680 1.00 0.00 O ATOM 962 CB LYS A 65 -4.799 10.198 -1.837 1.00 0.00 C ATOM 963 CG LYS A 65 -4.201 11.571 -2.149 1.00 0.00 C ATOM 964 CD LYS A 65 -4.660 12.099 -3.506 1.00 0.00 C ATOM 965 CE LYS A 65 -3.942 13.383 -3.897 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.224 14.499 -2.959 1.00 0.00 N ATOM 0 H LYS A 65 -2.324 9.690 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.664 8.106 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.855 10.209 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.747 10.033 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.487 12.277 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.113 11.504 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.483 11.340 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.735 12.280 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.868 13.200 -3.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.244 13.673 -4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.754 15.363 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.250 14.660 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.866 14.256 -2.013 1.00 0.00 H new ATOM 980 N ASN A 66 -3.033 9.424 -4.670 1.00 0.00 N ATOM 981 CA ASN A 66 -2.921 9.607 -6.108 1.00 0.00 C ATOM 982 C ASN A 66 -3.041 8.262 -6.817 1.00 0.00 C ATOM 983 O ASN A 66 -3.696 8.146 -7.855 1.00 0.00 O ATOM 984 CB ASN A 66 -1.579 10.264 -6.434 1.00 0.00 C ATOM 985 CG ASN A 66 -1.354 10.478 -7.920 1.00 0.00 C ATOM 986 OD1 ASN A 66 -2.287 10.757 -8.674 1.00 0.00 O ATOM 987 ND2 ASN A 66 -0.110 10.343 -8.352 1.00 0.00 N ATOM 0 H ASN A 66 -2.149 9.519 -4.170 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.727 10.253 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.521 11.225 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.774 9.644 -6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.103 10.471 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.635 10.111 -7.696 1.00 0.00 H new ATOM 994 N LEU A 67 -2.417 7.245 -6.238 1.00 0.00 N ATOM 995 CA LEU A 67 -2.480 5.898 -6.787 1.00 0.00 C ATOM 996 C LEU A 67 -3.799 5.235 -6.413 1.00 0.00 C ATOM 997 O LEU A 67 -4.246 5.301 -5.267 1.00 0.00 O ATOM 998 CB LEU A 67 -1.275 5.076 -6.317 1.00 0.00 C ATOM 999 CG LEU A 67 -0.950 5.173 -4.826 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.604 4.042 -4.053 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.553 5.159 -4.610 1.00 0.00 C ATOM 0 H LEU A 67 -1.861 7.328 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.437 5.952 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.453 4.029 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.399 5.393 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.349 6.116 -4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.357 4.134 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.685 4.093 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.239 3.086 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.768 5.229 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.969 4.232 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.003 6.007 -5.127 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.428 4.602 -7.391 1.00 0.00 N ATOM 1014 CA LYS A 68 -5.783 4.096 -7.211 1.00 0.00 C ATOM 1015 C LYS A 68 -5.815 2.587 -7.017 1.00 0.00 C ATOM 1016 O LYS A 68 -6.882 2.011 -6.825 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.658 4.505 -8.400 1.00 0.00 C ATOM 1018 CG LYS A 68 -6.764 6.016 -8.569 1.00 0.00 C ATOM 1019 CD LYS A 68 -7.332 6.673 -7.320 1.00 0.00 C ATOM 1020 CE LYS A 68 -7.385 8.187 -7.440 1.00 0.00 C ATOM 1021 NZ LYS A 68 -8.233 8.630 -8.574 1.00 0.00 N ATOM 0 H LYS A 68 -4.027 4.426 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.181 4.542 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.248 4.071 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.657 4.089 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.779 6.430 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.400 6.245 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.335 6.290 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.722 6.400 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.771 8.610 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.375 8.575 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.364 9.661 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.771 8.380 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.159 8.160 -8.519 1.00 0.00 H new ATOM 1035 N THR A 69 -4.657 1.939 -7.055 1.00 0.00 N ATOM 1036 CA THR A 69 -4.597 0.499 -6.831 1.00 0.00 C ATOM 1037 C THR A 69 -3.502 0.169 -5.825 1.00 0.00 C ATOM 1038 O THR A 69 -2.495 0.873 -5.741 1.00 0.00 O ATOM 1039 CB THR A 69 -4.348 -0.280 -8.148 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.041 0.002 -8.658 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.375 0.096 -9.202 1.00 0.00 C ATOM 0 H THR A 69 -3.756 2.381 -7.237 1.00 0.00 H new ATOM 0 HA THR A 69 -5.564 0.190 -6.436 1.00 0.00 H new ATOM 0 HB THR A 69 -4.434 -1.343 -7.923 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.899 -0.499 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.179 -0.464 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.374 -0.142 -8.838 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.309 1.164 -9.409 1.00 0.00 H new ATOM 1049 N VAL A 70 -3.697 -0.896 -5.056 1.00 0.00 N ATOM 1050 CA VAL A 70 -2.688 -1.332 -4.102 1.00 0.00 C ATOM 1051 C VAL A 70 -1.482 -1.898 -4.849 1.00 0.00 C ATOM 1052 O VAL A 70 -0.361 -1.925 -4.335 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.276 -2.361 -3.107 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.236 -3.292 -3.810 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.185 -3.153 -2.404 1.00 0.00 C ATOM 0 H VAL A 70 -4.540 -1.470 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.357 -0.474 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.821 -1.804 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.639 -4.008 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.052 -2.714 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.711 -3.827 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.639 -3.864 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.593 -3.692 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.540 -2.471 -1.850 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.716 -2.298 -6.091 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.648 -2.825 -6.907 1.00 0.00 C ATOM 1067 C GLY A 71 0.277 -1.742 -7.425 1.00 0.00 C ATOM 1068 O GLY A 71 1.491 -1.928 -7.482 1.00 0.00 O ATOM 0 H GLY A 71 -2.628 -2.266 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.071 -3.543 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.074 -3.368 -7.751 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.295 -0.611 -7.811 1.00 0.00 N ATOM 1073 CA ASP A 72 0.505 0.528 -8.236 1.00 0.00 C ATOM 1074 C ASP A 72 1.280 1.068 -7.044 1.00 0.00 C ATOM 1075 O ASP A 72 2.427 1.502 -7.165 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.392 1.615 -8.825 1.00 0.00 C ATOM 1077 CG ASP A 72 0.393 2.725 -9.489 1.00 0.00 C ATOM 1078 OD1 ASP A 72 1.224 2.426 -10.373 1.00 0.00 O ATOM 1079 OD2 ASP A 72 0.149 3.905 -9.159 1.00 0.00 O ATOM 0 H ASP A 72 -1.303 -0.458 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 72 1.206 0.210 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.067 1.167 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.012 2.037 -8.034 1.00 0.00 H new ATOM 1084 N ALA A 73 0.638 1.004 -5.881 1.00 0.00 N ATOM 1085 CA ALA A 73 1.255 1.412 -4.627 1.00 0.00 C ATOM 1086 C ALA A 73 2.517 0.621 -4.351 1.00 0.00 C ATOM 1087 O ALA A 73 3.546 1.182 -3.978 1.00 0.00 O ATOM 1088 CB ALA A 73 0.303 1.188 -3.476 1.00 0.00 C ATOM 0 H ALA A 73 -0.320 0.669 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 73 1.501 2.470 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.778 1.498 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.603 1.774 -3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.045 0.131 -3.418 1.00 0.00 H new ATOM 1094 N THR A 74 2.422 -0.688 -4.527 1.00 0.00 N ATOM 1095 CA THR A 74 3.514 -1.570 -4.189 1.00 0.00 C ATOM 1096 C THR A 74 4.696 -1.290 -5.081 1.00 0.00 C ATOM 1097 O THR A 74 5.789 -1.049 -4.594 1.00 0.00 O ATOM 1098 CB THR A 74 3.116 -3.050 -4.292 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.927 -3.191 -5.077 1.00 0.00 O ATOM 1100 CG2 THR A 74 2.898 -3.639 -2.915 1.00 0.00 C ATOM 0 H THR A 74 1.598 -1.157 -4.902 1.00 0.00 H new ATOM 0 HA THR A 74 3.783 -1.376 -3.151 1.00 0.00 H new ATOM 0 HB THR A 74 3.928 -3.590 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.041 -2.723 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.617 -4.688 -3.008 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.818 -3.560 -2.336 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.102 -3.094 -2.408 1.00 0.00 H new ATOM 1108 N LYS A 75 4.458 -1.282 -6.382 1.00 0.00 N ATOM 1109 CA LYS A 75 5.503 -0.985 -7.348 1.00 0.00 C ATOM 1110 C LYS A 75 6.123 0.387 -7.075 1.00 0.00 C ATOM 1111 O LYS A 75 7.335 0.571 -7.209 1.00 0.00 O ATOM 1112 CB LYS A 75 4.938 -1.047 -8.767 1.00 0.00 C ATOM 1113 CG LYS A 75 4.510 -2.445 -9.198 1.00 0.00 C ATOM 1114 CD LYS A 75 5.682 -3.416 -9.223 1.00 0.00 C ATOM 1115 CE LYS A 75 5.277 -4.768 -9.795 1.00 0.00 C ATOM 1116 NZ LYS A 75 4.708 -4.652 -11.167 1.00 0.00 N ATOM 0 H LYS A 75 3.546 -1.479 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 75 6.288 -1.734 -7.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.081 -0.377 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.690 -0.676 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.745 -2.817 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.058 -2.397 -10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.491 -2.995 -9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.067 -3.549 -8.212 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.146 -5.425 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.543 -5.233 -9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.067 -5.429 -11.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.670 -4.705 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.989 -3.741 -11.584 1.00 0.00 H new ATOM 1130 N TYR A 76 5.290 1.345 -6.675 1.00 0.00 N ATOM 1131 CA TYR A 76 5.770 2.674 -6.313 1.00 0.00 C ATOM 1132 C TYR A 76 6.699 2.590 -5.096 1.00 0.00 C ATOM 1133 O TYR A 76 7.757 3.223 -5.063 1.00 0.00 O ATOM 1134 CB TYR A 76 4.586 3.604 -6.022 1.00 0.00 C ATOM 1135 CG TYR A 76 4.954 5.070 -5.990 1.00 0.00 C ATOM 1136 CD1 TYR A 76 4.984 5.823 -7.157 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.274 5.701 -4.796 1.00 0.00 C ATOM 1138 CE1 TYR A 76 5.321 7.161 -7.135 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.611 7.040 -4.767 1.00 0.00 C ATOM 1140 CZ TYR A 76 5.635 7.764 -5.937 1.00 0.00 C ATOM 1141 OH TYR A 76 5.985 9.095 -5.910 1.00 0.00 O ATOM 0 H TYR A 76 4.280 1.225 -6.594 1.00 0.00 H new ATOM 0 HA TYR A 76 6.334 3.084 -7.151 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.819 3.448 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.147 3.328 -5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.739 5.353 -8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.259 5.136 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.338 7.732 -8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.855 7.517 -3.829 1.00 0.00 H new ATOM 0 HH TYR A 76 5.176 9.647 -5.944 1.00 0.00 H new ATOM 1151 N ILE A 77 6.294 1.795 -4.106 1.00 0.00 N ATOM 1152 CA ILE A 77 7.114 1.540 -2.922 1.00 0.00 C ATOM 1153 C ILE A 77 8.392 0.782 -3.288 1.00 0.00 C ATOM 1154 O ILE A 77 9.494 1.172 -2.903 1.00 0.00 O ATOM 1155 CB ILE A 77 6.331 0.730 -1.858 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.293 1.619 -1.171 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.277 0.126 -0.823 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.370 0.867 -0.234 1.00 0.00 C ATOM 0 H ILE A 77 5.395 1.313 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 77 7.380 2.511 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 77 5.817 -0.086 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.809 2.398 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.694 2.118 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.701 -0.437 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.982 -0.541 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.824 0.924 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.662 1.563 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.825 0.106 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.958 0.390 0.550 1.00 0.00 H new ATOM 1170 N LEU A 78 8.221 -0.278 -4.065 1.00 0.00 N ATOM 1171 CA LEU A 78 9.291 -1.214 -4.384 1.00 0.00 C ATOM 1172 C LEU A 78 10.503 -0.528 -5.010 1.00 0.00 C ATOM 1173 O LEU A 78 11.640 -0.776 -4.604 1.00 0.00 O ATOM 1174 CB LEU A 78 8.761 -2.294 -5.329 1.00 0.00 C ATOM 1175 CG LEU A 78 7.631 -3.165 -4.766 1.00 0.00 C ATOM 1176 CD1 LEU A 78 7.134 -4.139 -5.826 1.00 0.00 C ATOM 1177 CD2 LEU A 78 8.111 -3.916 -3.538 1.00 0.00 C ATOM 0 H LEU A 78 7.327 -0.515 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 78 9.624 -1.661 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.406 -1.813 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.590 -2.943 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 78 6.802 -2.519 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.332 -4.750 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.759 -3.582 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.955 -4.783 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.300 -4.531 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.953 -4.554 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.426 -3.203 -2.776 1.00 0.00 H new ATOM 1189 N ASP A 79 10.259 0.347 -5.978 1.00 0.00 N ATOM 1190 CA ASP A 79 11.341 0.987 -6.727 1.00 0.00 C ATOM 1191 C ASP A 79 12.105 2.019 -5.896 1.00 0.00 C ATOM 1192 O ASP A 79 13.101 2.571 -6.360 1.00 0.00 O ATOM 1193 CB ASP A 79 10.807 1.663 -7.993 1.00 0.00 C ATOM 1194 CG ASP A 79 10.394 0.676 -9.068 1.00 0.00 C ATOM 1195 OD1 ASP A 79 11.279 0.001 -9.640 1.00 0.00 O ATOM 1196 OD2 ASP A 79 9.189 0.586 -9.367 1.00 0.00 O ATOM 0 H ASP A 79 9.323 0.632 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 79 12.033 0.189 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.951 2.285 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.573 2.327 -8.393 1.00 0.00 H new ATOM 1201 N HIS A 80 11.635 2.300 -4.684 1.00 0.00 N ATOM 1202 CA HIS A 80 12.294 3.289 -3.829 1.00 0.00 C ATOM 1203 C HIS A 80 12.576 2.739 -2.433 1.00 0.00 C ATOM 1204 O HIS A 80 13.107 3.450 -1.579 1.00 0.00 O ATOM 1205 CB HIS A 80 11.442 4.561 -3.721 1.00 0.00 C ATOM 1206 CG HIS A 80 11.444 5.409 -4.956 1.00 0.00 C ATOM 1207 ND1 HIS A 80 12.214 6.544 -5.083 1.00 0.00 N ATOM 1208 CD2 HIS A 80 10.755 5.290 -6.114 1.00 0.00 C ATOM 1209 CE1 HIS A 80 12.001 7.088 -6.267 1.00 0.00 C ATOM 1210 NE2 HIS A 80 11.117 6.349 -6.906 1.00 0.00 N ATOM 0 H HIS A 80 10.810 1.864 -4.273 1.00 0.00 H new ATOM 0 HA HIS A 80 13.249 3.530 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.415 4.278 -3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.805 5.157 -2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.053 4.509 -6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.470 7.984 -6.646 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.758 6.535 -7.843 1.00 0.00 H new ATOM 1219 N GLN A 81 12.229 1.478 -2.203 1.00 0.00 N ATOM 1220 CA GLN A 81 12.336 0.890 -0.868 1.00 0.00 C ATOM 1221 C GLN A 81 13.802 0.728 -0.453 1.00 0.00 C ATOM 1222 O GLN A 81 14.684 0.648 -1.311 1.00 0.00 O ATOM 1223 CB GLN A 81 11.634 -0.469 -0.823 1.00 0.00 C ATOM 1224 CG GLN A 81 12.457 -1.603 -1.414 1.00 0.00 C ATOM 1225 CD GLN A 81 11.772 -2.942 -1.274 1.00 0.00 C ATOM 1226 OE1 GLN A 81 11.900 -3.606 -0.250 1.00 0.00 O ATOM 1227 NE2 GLN A 81 11.086 -3.373 -2.319 1.00 0.00 N ATOM 0 H GLN A 81 11.873 0.844 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 81 11.849 1.568 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.392 -0.709 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.690 -0.398 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.644 -1.402 -2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.428 -1.640 -0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.004 -2.789 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.639 -4.289 -2.293 1.00 0.00 H new ATOM 1236 N ALA A 82 14.043 0.687 0.862 1.00 0.00 N ATOM 1237 CA ALA A 82 15.380 0.476 1.428 1.00 0.00 C ATOM 1238 C ALA A 82 16.416 1.419 0.816 1.00 0.00 C ATOM 1239 O ALA A 82 17.212 0.968 -0.034 1.00 0.00 O ATOM 1240 CB ALA A 82 15.807 -0.978 1.251 1.00 0.00 C ATOM 1241 OXT ALA A 82 16.426 2.616 1.177 1.00 0.00 O ATOM 0 H ALA A 82 13.314 0.800 1.566 1.00 0.00 H new ATOM 0 HA ALA A 82 15.325 0.703 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.801 -1.120 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.098 -1.630 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.828 -1.225 0.189 1.00 0.00 H new TER 1247 ALA A 82