USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 15 SER OG : rot -72:sc= 1.21 USER MOD Set 1.2: A 64 MET CE :methyl -114:sc= -0.14 (180deg=-0.743) USER MOD Single : A 7 TYR OH : rot 145:sc= 0.637 USER MOD Single : A 8 GLN : amide:sc= -4.19! K(o=-4.2!,f=-1.1) USER MOD Single : A 11 GLN : amide:sc= -4.23! K(o=-4.2!,f=-0.16) USER MOD Single : A 17 MET CE :methyl 174:sc= -0.727 (180deg=-0.78) USER MOD Single : A 18 MET CE :methyl -166:sc= 0 (180deg=-0.239) USER MOD Single : A 28 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.14) USER MOD Single : A 30 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.35) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -106:sc= -0.596! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -1.38 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -31:sc= -5.68! USER MOD Single : A 65 TYR OH : rot 73:sc= 1.25 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.057) USER MOD Single : A 73 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.12) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= -2.15! (180deg=-2.24!) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.326 -6.732 6.671 1.00 0.00 N ATOM 93 CA TYR A 7 7.131 -5.932 6.869 1.00 0.00 C ATOM 94 C TYR A 7 5.923 -6.812 7.121 1.00 0.00 C ATOM 95 O TYR A 7 5.960 -8.022 6.913 1.00 0.00 O ATOM 96 CB TYR A 7 6.895 -4.996 5.673 1.00 0.00 C ATOM 97 CG TYR A 7 6.702 -5.685 4.340 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.794 -6.100 3.589 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.431 -5.895 3.821 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.627 -6.710 2.363 1.00 0.00 C ATOM 101 CE2 TYR A 7 5.256 -6.501 2.595 1.00 0.00 C ATOM 102 CZ TYR A 7 6.357 -6.907 1.868 1.00 0.00 C ATOM 103 OH TYR A 7 6.197 -7.509 0.642 1.00 0.00 O ATOM 0 HA TYR A 7 7.282 -5.314 7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.015 -4.386 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.743 -4.316 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.792 -5.942 3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.567 -5.579 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.487 -7.031 1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.261 -6.657 2.205 1.00 0.00 H new ATOM 0 HH TYR A 7 5.391 -8.066 0.654 1.00 0.00 H new ATOM 113 N GLN A 8 4.854 -6.195 7.576 1.00 0.00 N ATOM 114 CA GLN A 8 3.674 -6.926 7.972 1.00 0.00 C ATOM 115 C GLN A 8 2.446 -6.309 7.331 1.00 0.00 C ATOM 116 O GLN A 8 2.117 -5.149 7.588 1.00 0.00 O ATOM 117 CB GLN A 8 3.537 -6.920 9.497 1.00 0.00 C ATOM 118 CG GLN A 8 3.105 -8.258 10.084 1.00 0.00 C ATOM 119 CD GLN A 8 1.673 -8.633 9.744 1.00 0.00 C ATOM 120 OE1 GLN A 8 1.351 -9.810 9.590 1.00 0.00 O ATOM 121 NE2 GLN A 8 0.798 -7.643 9.657 1.00 0.00 N ATOM 0 H GLN A 8 4.780 -5.183 7.681 1.00 0.00 H new ATOM 0 HA GLN A 8 3.766 -7.959 7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.492 -6.633 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.813 -6.158 9.784 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.773 -9.038 9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.216 -8.223 11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.103 -6.679 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.182 -7.844 9.456 1.00 0.00 H new ATOM 130 N ILE A 9 1.801 -7.079 6.480 1.00 0.00 N ATOM 131 CA ILE A 9 0.562 -6.658 5.858 1.00 0.00 C ATOM 132 C ILE A 9 -0.622 -7.136 6.677 1.00 0.00 C ATOM 133 O ILE A 9 -0.879 -8.336 6.793 1.00 0.00 O ATOM 134 CB ILE A 9 0.442 -7.179 4.419 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.526 -6.540 3.554 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.943 -6.884 3.865 1.00 0.00 C ATOM 137 CD1 ILE A 9 1.389 -6.839 2.085 1.00 0.00 C ATOM 0 H ILE A 9 2.117 -8.008 6.201 1.00 0.00 H new ATOM 0 HA ILE A 9 0.566 -5.569 5.821 1.00 0.00 H new ATOM 0 HB ILE A 9 0.581 -8.260 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.503 -5.460 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.501 -6.887 3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.014 -7.259 2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.694 -7.374 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.115 -5.808 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.195 -6.351 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.443 -7.916 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.429 -6.467 1.726 1.00 0.00 H new ATOM 149 N GLU A 10 -1.321 -6.192 7.263 1.00 0.00 N ATOM 150 CA GLU A 10 -2.424 -6.493 8.144 1.00 0.00 C ATOM 151 C GLU A 10 -3.704 -5.808 7.689 1.00 0.00 C ATOM 152 O GLU A 10 -3.694 -4.938 6.812 1.00 0.00 O ATOM 153 CB GLU A 10 -2.049 -6.061 9.552 1.00 0.00 C ATOM 154 CG GLU A 10 -1.837 -4.568 9.709 1.00 0.00 C ATOM 155 CD GLU A 10 -1.229 -4.221 11.052 1.00 0.00 C ATOM 156 OE1 GLU A 10 -0.063 -4.609 11.301 1.00 0.00 O ATOM 157 OE2 GLU A 10 -1.923 -3.594 11.880 1.00 0.00 O ATOM 0 H GLU A 10 -1.141 -5.195 7.142 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.617 -7.566 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.834 -6.379 10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.137 -6.579 9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.186 -4.208 8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.791 -4.052 9.598 1.00 0.00 H new ATOM 164 N GLN A 11 -4.806 -6.212 8.290 1.00 0.00 N ATOM 165 CA GLN A 11 -6.104 -5.663 7.949 1.00 0.00 C ATOM 166 C GLN A 11 -6.387 -4.420 8.772 1.00 0.00 C ATOM 167 O GLN A 11 -6.289 -4.421 9.998 1.00 0.00 O ATOM 168 CB GLN A 11 -7.204 -6.721 8.141 1.00 0.00 C ATOM 169 CG GLN A 11 -8.631 -6.165 8.183 1.00 0.00 C ATOM 170 CD GLN A 11 -9.193 -5.744 6.829 1.00 0.00 C ATOM 171 OE1 GLN A 11 -10.402 -5.780 6.616 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.338 -5.355 5.903 1.00 0.00 N ATOM 0 H GLN A 11 -4.828 -6.923 9.021 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.097 -5.375 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.136 -7.447 7.331 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.012 -7.260 9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.288 -6.920 8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.651 -5.305 8.852 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.339 -5.335 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.676 -5.074 4.982 1.00 0.00 H new ATOM 181 N LEU A 12 -6.745 -3.363 8.062 1.00 0.00 N ATOM 182 CA LEU A 12 -6.934 -2.058 8.659 1.00 0.00 C ATOM 183 C LEU A 12 -8.254 -1.987 9.418 1.00 0.00 C ATOM 184 O LEU A 12 -8.304 -1.507 10.549 1.00 0.00 O ATOM 185 CB LEU A 12 -6.905 -1.018 7.562 1.00 0.00 C ATOM 186 CG LEU A 12 -6.500 0.387 7.977 1.00 0.00 C ATOM 187 CD1 LEU A 12 -5.777 0.398 9.322 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.600 0.939 6.908 1.00 0.00 C ATOM 0 H LEU A 12 -6.912 -3.389 7.056 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.133 -1.871 9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.218 -1.357 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.896 -0.969 7.110 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.395 0.998 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.505 1.421 9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.433 -0.009 10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.875 -0.211 9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.292 1.949 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.719 0.305 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.135 0.964 5.959 1.00 0.00 H new ATOM 200 N GLY A 13 -9.320 -2.468 8.790 1.00 0.00 N ATOM 201 CA GLY A 13 -10.621 -2.434 9.421 1.00 0.00 C ATOM 202 C GLY A 13 -11.651 -3.260 8.678 1.00 0.00 C ATOM 203 O GLY A 13 -11.797 -4.455 8.932 1.00 0.00 O ATOM 0 H GLY A 13 -9.305 -2.880 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.535 -2.802 10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.964 -1.401 9.482 1.00 0.00 H new ATOM 207 N ASP A 14 -12.348 -2.626 7.749 1.00 0.00 N ATOM 208 CA ASP A 14 -13.442 -3.274 7.033 1.00 0.00 C ATOM 209 C ASP A 14 -13.090 -3.525 5.568 1.00 0.00 C ATOM 210 O ASP A 14 -13.459 -4.558 5.003 1.00 0.00 O ATOM 211 CB ASP A 14 -14.715 -2.429 7.121 1.00 0.00 C ATOM 212 CG ASP A 14 -14.575 -1.082 6.440 1.00 0.00 C ATOM 213 OD1 ASP A 14 -13.928 -0.186 7.018 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.093 -0.919 5.317 1.00 0.00 O ATOM 0 H ASP A 14 -12.177 -1.660 7.470 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.614 -4.239 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.541 -2.976 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.972 -2.276 8.169 1.00 0.00 H new ATOM 219 N SER A 15 -12.376 -2.592 4.953 1.00 0.00 N ATOM 220 CA SER A 15 -12.043 -2.709 3.541 1.00 0.00 C ATOM 221 C SER A 15 -10.868 -1.811 3.190 1.00 0.00 C ATOM 222 O SER A 15 -10.851 -1.135 2.161 1.00 0.00 O ATOM 223 CB SER A 15 -13.256 -2.375 2.674 1.00 0.00 C ATOM 224 OG SER A 15 -13.807 -1.108 3.007 1.00 0.00 O ATOM 0 H SER A 15 -12.018 -1.751 5.406 1.00 0.00 H new ATOM 0 HA SER A 15 -11.754 -3.741 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.965 -2.381 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.016 -3.146 2.799 1.00 0.00 H new ATOM 0 HG SER A 15 -14.255 -1.165 3.877 1.00 0.00 H new ATOM 230 N ALA A 16 -9.886 -1.816 4.065 1.00 0.00 N ATOM 231 CA ALA A 16 -8.661 -1.076 3.863 1.00 0.00 C ATOM 232 C ALA A 16 -7.505 -1.929 4.341 1.00 0.00 C ATOM 233 O ALA A 16 -7.667 -2.740 5.254 1.00 0.00 O ATOM 234 CB ALA A 16 -8.703 0.253 4.604 1.00 0.00 C ATOM 0 H ALA A 16 -9.916 -2.337 4.941 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.536 -0.849 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.771 0.792 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.538 0.849 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.831 0.071 5.671 1.00 0.00 H new ATOM 240 N MET A 17 -6.359 -1.787 3.716 1.00 0.00 N ATOM 241 CA MET A 17 -5.206 -2.609 4.075 1.00 0.00 C ATOM 242 C MET A 17 -4.060 -1.762 4.598 1.00 0.00 C ATOM 243 O MET A 17 -3.796 -0.675 4.092 1.00 0.00 O ATOM 244 CB MET A 17 -4.769 -3.444 2.874 1.00 0.00 C ATOM 245 CG MET A 17 -3.463 -4.188 3.061 1.00 0.00 C ATOM 246 SD MET A 17 -3.303 -5.592 1.945 1.00 0.00 S ATOM 247 CE MET A 17 -3.396 -4.781 0.356 1.00 0.00 C ATOM 0 H MET A 17 -6.192 -1.120 2.963 1.00 0.00 H new ATOM 0 HA MET A 17 -5.501 -3.281 4.881 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.553 -4.166 2.646 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.677 -2.789 2.008 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.631 -3.502 2.898 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.392 -4.537 4.091 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.205 -5.507 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.390 -4.353 0.224 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.650 -3.988 0.308 1.00 0.00 H new ATOM 257 N MET A 18 -3.385 -2.264 5.618 1.00 0.00 N ATOM 258 CA MET A 18 -2.315 -1.523 6.255 1.00 0.00 C ATOM 259 C MET A 18 -1.037 -2.338 6.260 1.00 0.00 C ATOM 260 O MET A 18 -1.010 -3.485 6.700 1.00 0.00 O ATOM 261 CB MET A 18 -2.735 -1.140 7.671 1.00 0.00 C ATOM 262 CG MET A 18 -1.816 -0.165 8.380 1.00 0.00 C ATOM 263 SD MET A 18 -0.396 -0.950 9.159 1.00 0.00 S ATOM 264 CE MET A 18 0.162 0.388 10.208 1.00 0.00 C ATOM 0 H MET A 18 -3.561 -3.184 6.022 1.00 0.00 H new ATOM 0 HA MET A 18 -2.120 -0.610 5.692 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.735 -0.707 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.805 -2.048 8.269 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.463 0.576 7.663 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.385 0.372 9.139 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.166 0.170 10.573 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.178 1.316 9.637 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.517 0.494 11.054 1.00 0.00 H new ATOM 274 N ILE A 19 0.007 -1.738 5.740 1.00 0.00 N ATOM 275 CA ILE A 19 1.305 -2.385 5.658 1.00 0.00 C ATOM 276 C ILE A 19 2.326 -1.586 6.441 1.00 0.00 C ATOM 277 O ILE A 19 2.332 -0.363 6.389 1.00 0.00 O ATOM 278 CB ILE A 19 1.785 -2.510 4.198 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.718 -3.171 3.338 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.070 -3.321 4.126 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.650 -2.605 1.940 1.00 0.00 C ATOM 0 H ILE A 19 -0.014 -0.791 5.362 1.00 0.00 H new ATOM 0 HA ILE A 19 1.202 -3.386 6.077 1.00 0.00 H new ATOM 0 HB ILE A 19 1.975 -1.506 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.917 -4.241 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.253 -3.053 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.394 -3.399 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.845 -2.827 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.893 -4.319 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.130 -3.118 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.421 -1.540 1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.609 -2.747 1.443 1.00 0.00 H new ATOM 293 N ARG A 20 3.176 -2.271 7.171 1.00 0.00 N ATOM 294 CA ARG A 20 4.211 -1.616 7.952 1.00 0.00 C ATOM 295 C ARG A 20 5.507 -2.393 7.866 1.00 0.00 C ATOM 296 O ARG A 20 5.538 -3.596 8.107 1.00 0.00 O ATOM 297 CB ARG A 20 3.768 -1.469 9.405 1.00 0.00 C ATOM 298 CG ARG A 20 2.934 -2.636 9.881 1.00 0.00 C ATOM 299 CD ARG A 20 3.662 -3.495 10.893 1.00 0.00 C ATOM 300 NE ARG A 20 2.736 -4.262 11.701 1.00 0.00 N ATOM 301 CZ ARG A 20 2.885 -4.475 13.007 1.00 0.00 C ATOM 302 NH1 ARG A 20 3.977 -4.045 13.628 1.00 0.00 N ATOM 303 NH2 ARG A 20 1.952 -5.132 13.685 1.00 0.00 N ATOM 0 H ARG A 20 3.174 -3.288 7.243 1.00 0.00 H new ATOM 0 HA ARG A 20 4.379 -0.620 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.648 -1.373 10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.194 -0.549 9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.011 -2.262 10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.651 -3.249 9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.342 -4.172 10.376 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.272 -2.862 11.538 1.00 0.00 H new ATOM 0 HE ARG A 20 1.919 -4.664 11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.701 -3.552 13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.092 -4.208 14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.119 -5.475 13.206 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.068 -5.294 14.685 1.00 0.00 H new ATOM 317 N PHE A 21 6.560 -1.693 7.498 1.00 0.00 N ATOM 318 CA PHE A 21 7.877 -2.297 7.339 1.00 0.00 C ATOM 319 C PHE A 21 8.705 -2.069 8.594 1.00 0.00 C ATOM 320 O PHE A 21 8.169 -1.906 9.692 1.00 0.00 O ATOM 321 CB PHE A 21 8.638 -1.696 6.143 1.00 0.00 C ATOM 322 CG PHE A 21 7.912 -1.719 4.819 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.806 -0.915 4.598 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.365 -2.520 3.782 1.00 0.00 C ATOM 325 CE1 PHE A 21 6.164 -0.910 3.377 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.722 -2.524 2.558 1.00 0.00 C ATOM 327 CZ PHE A 21 6.620 -1.717 2.355 1.00 0.00 C ATOM 0 H PHE A 21 6.533 -0.693 7.300 1.00 0.00 H new ATOM 0 HA PHE A 21 7.726 -3.362 7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.889 -0.662 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.579 -2.234 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.441 -0.282 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.230 -3.148 3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.305 -0.275 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.081 -3.158 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.117 -1.718 1.399 1.00 0.00 H new ATOM 422 N GLN A 28 15.796 1.307 3.527 1.00 0.00 N ATOM 423 CA GLN A 28 14.913 0.810 2.472 1.00 0.00 C ATOM 424 C GLN A 28 13.508 1.401 2.590 1.00 0.00 C ATOM 425 O GLN A 28 12.983 1.962 1.628 1.00 0.00 O ATOM 426 CB GLN A 28 14.848 -0.719 2.549 1.00 0.00 C ATOM 427 CG GLN A 28 14.544 -1.411 1.229 1.00 0.00 C ATOM 428 CD GLN A 28 13.084 -1.340 0.823 1.00 0.00 C ATOM 429 OE1 GLN A 28 12.275 -2.169 1.234 1.00 0.00 O ATOM 430 NE2 GLN A 28 12.742 -0.374 -0.012 1.00 0.00 N ATOM 0 HA GLN A 28 15.319 1.118 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.800 -1.091 2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.085 -1.000 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.152 -0.960 0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.841 -2.457 1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.442 0.296 -0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.778 -0.298 -0.337 1.00 0.00 H new ATOM 439 N VAL A 29 12.910 1.298 3.775 1.00 0.00 N ATOM 440 CA VAL A 29 11.527 1.720 3.956 1.00 0.00 C ATOM 441 C VAL A 29 11.377 3.226 3.770 1.00 0.00 C ATOM 442 O VAL A 29 10.543 3.665 2.990 1.00 0.00 O ATOM 443 CB VAL A 29 10.948 1.290 5.332 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.703 1.917 6.492 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.467 1.625 5.418 1.00 0.00 C ATOM 0 H VAL A 29 13.357 0.930 4.615 1.00 0.00 H new ATOM 0 HA VAL A 29 10.950 1.211 3.184 1.00 0.00 H new ATOM 0 HB VAL A 29 11.072 0.210 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.263 1.588 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.748 1.611 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.640 3.003 6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.080 1.316 6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.329 2.700 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.929 1.100 4.629 1.00 0.00 H new ATOM 455 N ASN A 30 12.209 4.001 4.452 1.00 0.00 N ATOM 456 CA ASN A 30 12.132 5.461 4.407 1.00 0.00 C ATOM 457 C ASN A 30 12.156 5.962 2.973 1.00 0.00 C ATOM 458 O ASN A 30 11.392 6.854 2.596 1.00 0.00 O ATOM 459 CB ASN A 30 13.310 6.074 5.158 1.00 0.00 C ATOM 460 CG ASN A 30 13.404 5.605 6.591 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.397 5.396 7.266 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.623 5.400 7.052 1.00 0.00 N ATOM 0 H ASN A 30 12.953 3.642 5.050 1.00 0.00 H new ATOM 0 HA ASN A 30 11.194 5.758 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.235 5.824 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.219 7.160 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.758 5.055 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.431 5.586 6.458 1.00 0.00 H new ATOM 469 N GLY A 31 13.028 5.366 2.175 1.00 0.00 N ATOM 470 CA GLY A 31 13.201 5.801 0.809 1.00 0.00 C ATOM 471 C GLY A 31 12.147 5.259 -0.140 1.00 0.00 C ATOM 472 O GLY A 31 12.123 5.638 -1.312 1.00 0.00 O ATOM 0 H GLY A 31 13.621 4.584 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.180 6.890 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.186 5.491 0.460 1.00 0.00 H new ATOM 476 N ILE A 32 11.266 4.384 0.339 1.00 0.00 N ATOM 477 CA ILE A 32 10.278 3.784 -0.546 1.00 0.00 C ATOM 478 C ILE A 32 8.846 3.948 -0.052 1.00 0.00 C ATOM 479 O ILE A 32 7.948 4.115 -0.857 1.00 0.00 O ATOM 480 CB ILE A 32 10.576 2.289 -0.827 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.599 2.050 -2.344 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.577 1.353 -0.148 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.295 2.375 -3.071 1.00 0.00 C ATOM 0 H ILE A 32 11.217 4.082 1.312 1.00 0.00 H new ATOM 0 HA ILE A 32 10.364 4.338 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 32 11.553 2.058 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.398 2.650 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.849 1.005 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.833 0.319 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.612 1.504 0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.572 1.568 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.412 2.174 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.491 1.757 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.050 3.427 -2.926 1.00 0.00 H new ATOM 495 N VAL A 33 8.623 3.928 1.249 1.00 0.00 N ATOM 496 CA VAL A 33 7.262 3.951 1.773 1.00 0.00 C ATOM 497 C VAL A 33 6.557 5.249 1.386 1.00 0.00 C ATOM 498 O VAL A 33 5.354 5.263 1.133 1.00 0.00 O ATOM 499 CB VAL A 33 7.239 3.757 3.302 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.989 4.870 3.998 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.815 3.663 3.817 1.00 0.00 C ATOM 0 H VAL A 33 9.355 3.896 1.959 1.00 0.00 H new ATOM 0 HA VAL A 33 6.724 3.115 1.326 1.00 0.00 H new ATOM 0 HB VAL A 33 7.742 2.817 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.959 4.711 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.026 4.876 3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.524 5.827 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.827 3.526 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.279 4.580 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.314 2.815 3.350 1.00 0.00 H new ATOM 511 N HIS A 34 7.319 6.332 1.296 1.00 0.00 N ATOM 512 CA HIS A 34 6.758 7.610 0.889 1.00 0.00 C ATOM 513 C HIS A 34 6.617 7.656 -0.632 1.00 0.00 C ATOM 514 O HIS A 34 5.802 8.406 -1.162 1.00 0.00 O ATOM 515 CB HIS A 34 7.625 8.774 1.385 1.00 0.00 C ATOM 516 CG HIS A 34 6.937 10.108 1.319 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.168 10.610 2.347 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.900 11.042 0.338 1.00 0.00 C ATOM 519 CE1 HIS A 34 5.687 11.789 2.000 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.115 12.074 0.786 1.00 0.00 N ATOM 0 H HIS A 34 8.319 6.350 1.498 1.00 0.00 H new ATOM 0 HA HIS A 34 5.771 7.714 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.924 8.580 2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.537 8.815 0.790 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.397 10.985 -0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.050 12.415 2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.898 12.923 0.265 1.00 0.00 H new ATOM 529 N ALA A 35 7.411 6.846 -1.330 1.00 0.00 N ATOM 530 CA ALA A 35 7.330 6.771 -2.783 1.00 0.00 C ATOM 531 C ALA A 35 6.261 5.770 -3.205 1.00 0.00 C ATOM 532 O ALA A 35 5.708 5.857 -4.296 1.00 0.00 O ATOM 533 CB ALA A 35 8.682 6.392 -3.376 1.00 0.00 C ATOM 0 H ALA A 35 8.114 6.236 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 35 7.052 7.754 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.602 6.341 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.423 7.143 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.990 5.421 -2.989 1.00 0.00 H new ATOM 539 N ALA A 36 5.968 4.831 -2.311 1.00 0.00 N ATOM 540 CA ALA A 36 4.996 3.774 -2.565 1.00 0.00 C ATOM 541 C ALA A 36 3.600 4.347 -2.749 1.00 0.00 C ATOM 542 O ALA A 36 2.744 3.728 -3.377 1.00 0.00 O ATOM 543 CB ALA A 36 5.006 2.764 -1.431 1.00 0.00 C ATOM 0 H ALA A 36 6.399 4.782 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 36 5.279 3.270 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.275 1.981 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.998 2.321 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.751 3.264 -0.496 1.00 0.00 H new ATOM 549 N ALA A 37 3.387 5.540 -2.211 1.00 0.00 N ATOM 550 CA ALA A 37 2.120 6.225 -2.360 1.00 0.00 C ATOM 551 C ALA A 37 1.897 6.530 -3.826 1.00 0.00 C ATOM 552 O ALA A 37 0.796 6.388 -4.351 1.00 0.00 O ATOM 553 CB ALA A 37 2.113 7.509 -1.552 1.00 0.00 C ATOM 0 H ALA A 37 4.081 6.051 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 37 1.317 5.587 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.153 8.011 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.268 7.277 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.912 8.163 -1.901 1.00 0.00 H new ATOM 559 N ALA A 38 2.971 6.935 -4.482 1.00 0.00 N ATOM 560 CA ALA A 38 2.938 7.177 -5.906 1.00 0.00 C ATOM 561 C ALA A 38 3.120 5.878 -6.680 1.00 0.00 C ATOM 562 O ALA A 38 2.593 5.723 -7.779 1.00 0.00 O ATOM 563 CB ALA A 38 3.996 8.191 -6.308 1.00 0.00 C ATOM 0 H ALA A 38 3.878 7.102 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 38 1.960 7.589 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.951 8.356 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.814 9.132 -5.789 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.983 7.813 -6.040 1.00 0.00 H new ATOM 569 N TYR A 39 3.860 4.945 -6.092 1.00 0.00 N ATOM 570 CA TYR A 39 4.113 3.656 -6.721 1.00 0.00 C ATOM 571 C TYR A 39 2.793 2.951 -7.041 1.00 0.00 C ATOM 572 O TYR A 39 2.611 2.411 -8.133 1.00 0.00 O ATOM 573 CB TYR A 39 4.975 2.766 -5.813 1.00 0.00 C ATOM 574 CG TYR A 39 5.571 1.576 -6.533 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.794 0.472 -6.856 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.908 1.569 -6.909 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.329 -0.604 -7.535 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.454 0.493 -7.583 1.00 0.00 C ATOM 579 CZ TYR A 39 6.659 -0.592 -7.896 1.00 0.00 C ATOM 580 OH TYR A 39 7.188 -1.659 -8.589 1.00 0.00 O ATOM 0 H TYR A 39 4.296 5.059 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 39 4.655 3.833 -7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.780 3.365 -5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.367 2.411 -4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.752 0.455 -6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.531 2.418 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.708 -1.452 -7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.497 0.501 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 39 8.137 -1.494 -8.768 1.00 0.00 H new ATOM 590 N ILE A 40 1.867 2.979 -6.084 1.00 0.00 N ATOM 591 CA ILE A 40 0.595 2.282 -6.225 1.00 0.00 C ATOM 592 C ILE A 40 -0.360 3.039 -7.135 1.00 0.00 C ATOM 593 O ILE A 40 -1.081 2.436 -7.920 1.00 0.00 O ATOM 594 CB ILE A 40 -0.077 2.081 -4.858 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.837 1.278 -3.945 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.420 1.378 -5.010 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.498 1.442 -2.488 1.00 0.00 C ATOM 0 H ILE A 40 1.977 3.479 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 40 0.816 1.312 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.256 3.060 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.773 0.223 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.869 1.586 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.876 1.247 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.077 1.980 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.270 0.403 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.183 0.846 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.589 2.492 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.524 1.107 -2.312 1.00 0.00 H new ATOM 609 N GLU A 41 -0.360 4.361 -7.035 1.00 0.00 N ATOM 610 CA GLU A 41 -1.302 5.168 -7.800 1.00 0.00 C ATOM 611 C GLU A 41 -0.981 5.117 -9.293 1.00 0.00 C ATOM 612 O GLU A 41 -1.839 5.384 -10.133 1.00 0.00 O ATOM 613 CB GLU A 41 -1.313 6.616 -7.301 1.00 0.00 C ATOM 614 CG GLU A 41 -0.061 7.408 -7.639 1.00 0.00 C ATOM 615 CD GLU A 41 -0.177 8.867 -7.257 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.008 9.580 -7.859 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.564 9.318 -6.356 1.00 0.00 O ATOM 0 H GLU A 41 0.274 4.893 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.297 4.748 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.177 7.127 -7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.445 6.613 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.793 6.968 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.136 7.330 -8.708 1.00 0.00 H new ATOM 624 N GLU A 42 0.258 4.765 -9.616 1.00 0.00 N ATOM 625 CA GLU A 42 0.684 4.641 -11.002 1.00 0.00 C ATOM 626 C GLU A 42 0.513 3.208 -11.497 1.00 0.00 C ATOM 627 O GLU A 42 0.443 2.963 -12.701 1.00 0.00 O ATOM 628 CB GLU A 42 2.139 5.082 -11.144 1.00 0.00 C ATOM 629 CG GLU A 42 2.356 6.551 -10.815 1.00 0.00 C ATOM 630 CD GLU A 42 1.805 7.489 -11.872 1.00 0.00 C ATOM 631 OE1 GLU A 42 0.635 7.334 -12.277 1.00 0.00 O ATOM 632 OE2 GLU A 42 2.555 8.388 -12.308 1.00 0.00 O ATOM 0 H GLU A 42 0.987 4.560 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 42 0.056 5.288 -11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.762 4.474 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.471 4.892 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.885 6.776 -9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.424 6.736 -10.696 1.00 0.00 H new ATOM 639 N GLN A 43 0.450 2.266 -10.565 1.00 0.00 N ATOM 640 CA GLN A 43 0.246 0.860 -10.899 1.00 0.00 C ATOM 641 C GLN A 43 -0.833 0.250 -10.003 1.00 0.00 C ATOM 642 O GLN A 43 -0.558 -0.643 -9.200 1.00 0.00 O ATOM 643 CB GLN A 43 1.558 0.089 -10.753 1.00 0.00 C ATOM 644 CG GLN A 43 2.603 0.515 -11.762 1.00 0.00 C ATOM 645 CD GLN A 43 3.986 0.000 -11.433 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.374 -1.087 -11.865 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.743 0.775 -10.673 1.00 0.00 N ATOM 0 H GLN A 43 0.538 2.451 -9.566 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.087 0.791 -11.935 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.950 0.235 -9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.362 -0.977 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.313 0.157 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.629 1.604 -11.812 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.383 1.668 -10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.687 0.479 -10.424 1.00 0.00 H new ATOM 656 N PRO A 44 -2.080 0.735 -10.127 1.00 0.00 N ATOM 657 CA PRO A 44 -3.178 0.354 -9.257 1.00 0.00 C ATOM 658 C PRO A 44 -4.061 -0.739 -9.852 1.00 0.00 C ATOM 659 O PRO A 44 -3.779 -1.281 -10.923 1.00 0.00 O ATOM 660 CB PRO A 44 -3.958 1.666 -9.164 1.00 0.00 C ATOM 661 CG PRO A 44 -3.747 2.345 -10.483 1.00 0.00 C ATOM 662 CD PRO A 44 -2.537 1.706 -11.130 1.00 0.00 C ATOM 0 HA PRO A 44 -2.838 -0.059 -8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.017 1.482 -8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.595 2.282 -8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.626 2.233 -11.118 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.588 3.414 -10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.796 1.219 -12.070 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.766 2.443 -11.354 1.00 0.00 H new ATOM 670 N PHE A 45 -5.124 -1.056 -9.131 1.00 0.00 N ATOM 671 CA PHE A 45 -6.150 -1.962 -9.615 1.00 0.00 C ATOM 672 C PHE A 45 -7.453 -1.176 -9.725 1.00 0.00 C ATOM 673 O PHE A 45 -7.657 -0.234 -8.969 1.00 0.00 O ATOM 674 CB PHE A 45 -6.309 -3.181 -8.685 1.00 0.00 C ATOM 675 CG PHE A 45 -7.119 -2.923 -7.449 1.00 0.00 C ATOM 676 CD1 PHE A 45 -6.566 -2.280 -6.351 1.00 0.00 C ATOM 677 CD2 PHE A 45 -8.440 -3.331 -7.389 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.323 -2.054 -5.219 1.00 0.00 C ATOM 679 CE2 PHE A 45 -9.198 -3.104 -6.261 1.00 0.00 C ATOM 680 CZ PHE A 45 -8.640 -2.465 -5.174 1.00 0.00 C ATOM 0 H PHE A 45 -5.299 -0.692 -8.194 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.867 -2.355 -10.591 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.775 -3.991 -9.246 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.319 -3.527 -8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.537 -1.954 -6.382 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -8.882 -3.833 -8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.884 -1.555 -4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.228 -3.426 -6.228 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.232 -2.286 -4.289 1.00 0.00 H new ATOM 690 N PRO A 46 -8.317 -1.533 -10.697 1.00 0.00 N ATOM 691 CA PRO A 46 -9.527 -0.762 -11.066 1.00 0.00 C ATOM 692 C PRO A 46 -10.350 -0.202 -9.895 1.00 0.00 C ATOM 693 O PRO A 46 -11.060 0.795 -10.057 1.00 0.00 O ATOM 694 CB PRO A 46 -10.354 -1.788 -11.831 1.00 0.00 C ATOM 695 CG PRO A 46 -9.349 -2.667 -12.478 1.00 0.00 C ATOM 696 CD PRO A 46 -8.177 -2.740 -11.538 1.00 0.00 C ATOM 0 HA PRO A 46 -9.244 0.135 -11.617 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.003 -2.353 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.997 -1.309 -12.570 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.762 -3.659 -12.661 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.046 -2.264 -13.445 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.203 -3.650 -10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.231 -2.742 -12.079 1.00 0.00 H new ATOM 704 N GLY A 47 -10.253 -0.825 -8.727 1.00 0.00 N ATOM 705 CA GLY A 47 -11.055 -0.414 -7.587 1.00 0.00 C ATOM 706 C GLY A 47 -10.233 0.281 -6.524 1.00 0.00 C ATOM 707 O GLY A 47 -10.632 0.350 -5.364 1.00 0.00 O ATOM 0 H GLY A 47 -9.630 -1.612 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.847 0.255 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.540 -1.288 -7.153 1.00 0.00 H new ATOM 711 N PHE A 48 -9.066 0.765 -6.912 1.00 0.00 N ATOM 712 CA PHE A 48 -8.180 1.472 -5.998 1.00 0.00 C ATOM 713 C PHE A 48 -8.760 2.827 -5.599 1.00 0.00 C ATOM 714 O PHE A 48 -9.253 3.578 -6.440 1.00 0.00 O ATOM 715 CB PHE A 48 -6.799 1.634 -6.649 1.00 0.00 C ATOM 716 CG PHE A 48 -5.918 2.653 -5.992 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.312 2.392 -4.776 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.691 3.873 -6.605 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.495 3.333 -4.185 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.877 4.817 -6.017 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.279 4.547 -4.807 1.00 0.00 C ATOM 0 H PHE A 48 -8.706 0.681 -7.863 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.077 0.886 -5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.290 0.670 -6.637 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.934 1.909 -7.695 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.480 1.444 -4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.157 4.088 -7.555 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.024 3.121 -3.236 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.709 5.766 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.641 5.285 -4.344 1.00 0.00 H new ATOM 731 N ILE A 49 -8.693 3.122 -4.306 1.00 0.00 N ATOM 732 CA ILE A 49 -9.259 4.347 -3.762 1.00 0.00 C ATOM 733 C ILE A 49 -8.166 5.350 -3.400 1.00 0.00 C ATOM 734 O ILE A 49 -8.109 6.446 -3.960 1.00 0.00 O ATOM 735 CB ILE A 49 -10.113 4.042 -2.510 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.319 3.179 -2.885 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.567 5.316 -1.812 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.246 3.812 -3.896 1.00 0.00 C ATOM 0 H ILE A 49 -8.248 2.523 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.892 4.785 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.486 3.490 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.962 2.229 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.885 2.954 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.164 5.059 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.695 5.890 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.167 5.913 -2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.073 3.134 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.636 4.748 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.698 4.011 -4.817 1.00 0.00 H new ATOM 750 N GLU A 50 -7.284 4.964 -2.485 1.00 0.00 N ATOM 751 CA GLU A 50 -6.303 5.891 -1.933 1.00 0.00 C ATOM 752 C GLU A 50 -5.153 5.120 -1.292 1.00 0.00 C ATOM 753 O GLU A 50 -5.313 3.965 -0.928 1.00 0.00 O ATOM 754 CB GLU A 50 -6.994 6.791 -0.899 1.00 0.00 C ATOM 755 CG GLU A 50 -6.113 7.876 -0.304 1.00 0.00 C ATOM 756 CD GLU A 50 -6.881 8.793 0.626 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.026 8.456 1.818 1.00 0.00 O ATOM 758 OE2 GLU A 50 -7.346 9.857 0.162 1.00 0.00 O ATOM 0 H GLU A 50 -7.228 4.017 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.891 6.510 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.858 7.262 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.372 6.166 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.290 7.414 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.671 8.464 -1.108 1.00 0.00 H new ATOM 765 N CYS A 51 -3.994 5.741 -1.181 1.00 0.00 N ATOM 766 CA CYS A 51 -2.866 5.123 -0.503 1.00 0.00 C ATOM 767 C CYS A 51 -1.971 6.195 0.087 1.00 0.00 C ATOM 768 O CYS A 51 -1.443 7.044 -0.632 1.00 0.00 O ATOM 769 CB CYS A 51 -2.076 4.230 -1.462 1.00 0.00 C ATOM 770 SG CYS A 51 -1.570 5.050 -2.993 1.00 0.00 S ATOM 0 H CYS A 51 -3.807 6.673 -1.551 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.245 4.495 0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.187 3.862 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.682 3.360 -1.713 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.310 4.630 -3.976 1.00 0.00 H new ATOM 776 N ILE A 52 -1.814 6.165 1.395 1.00 0.00 N ATOM 777 CA ILE A 52 -1.065 7.198 2.084 1.00 0.00 C ATOM 778 C ILE A 52 0.074 6.617 2.908 1.00 0.00 C ATOM 779 O ILE A 52 -0.093 5.619 3.604 1.00 0.00 O ATOM 780 CB ILE A 52 -1.979 8.045 2.984 1.00 0.00 C ATOM 781 CG1 ILE A 52 -2.942 7.151 3.770 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.738 9.049 2.135 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.703 7.881 4.854 1.00 0.00 C ATOM 0 H ILE A 52 -2.194 5.438 2.002 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.637 7.840 1.314 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.368 8.587 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.654 6.703 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.379 6.334 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.386 9.649 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.030 9.700 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.343 8.519 1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.365 7.183 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.999 8.306 5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.295 8.681 4.408 1.00 0.00 H new ATOM 795 N PRO A 53 1.255 7.236 2.812 1.00 0.00 N ATOM 796 CA PRO A 53 2.441 6.801 3.530 1.00 0.00 C ATOM 797 C PRO A 53 2.529 7.403 4.929 1.00 0.00 C ATOM 798 O PRO A 53 2.012 8.491 5.183 1.00 0.00 O ATOM 799 CB PRO A 53 3.571 7.318 2.644 1.00 0.00 C ATOM 800 CG PRO A 53 3.026 8.546 1.985 1.00 0.00 C ATOM 801 CD PRO A 53 1.521 8.429 1.989 1.00 0.00 C ATOM 0 HA PRO A 53 2.460 5.724 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.459 7.549 3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.864 6.572 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.343 9.441 2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.402 8.634 0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.053 9.318 2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.128 8.312 0.979 1.00 0.00 H new ATOM 809 N ALA A 54 3.183 6.693 5.834 1.00 0.00 N ATOM 810 CA ALA A 54 3.371 7.181 7.190 1.00 0.00 C ATOM 811 C ALA A 54 4.793 6.907 7.682 1.00 0.00 C ATOM 812 O ALA A 54 4.988 6.376 8.776 1.00 0.00 O ATOM 813 CB ALA A 54 2.346 6.556 8.125 1.00 0.00 C ATOM 0 H ALA A 54 3.593 5.776 5.654 1.00 0.00 H new ATOM 0 HA ALA A 54 3.223 8.261 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.500 6.931 9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.342 6.816 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.461 5.472 8.119 1.00 0.00 H new ATOM 819 N PHE A 55 5.772 7.247 6.838 1.00 0.00 N ATOM 820 CA PHE A 55 7.205 7.181 7.179 1.00 0.00 C ATOM 821 C PHE A 55 7.740 5.743 7.263 1.00 0.00 C ATOM 822 O PHE A 55 8.875 5.478 6.872 1.00 0.00 O ATOM 823 CB PHE A 55 7.486 7.935 8.484 1.00 0.00 C ATOM 824 CG PHE A 55 8.950 8.115 8.776 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.730 8.936 7.977 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.546 7.464 9.845 1.00 0.00 C ATOM 827 CE1 PHE A 55 11.075 9.107 8.239 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.891 7.632 10.111 1.00 0.00 C ATOM 829 CZ PHE A 55 11.657 8.455 9.307 1.00 0.00 C ATOM 0 H PHE A 55 5.596 7.579 5.890 1.00 0.00 H new ATOM 0 HA PHE A 55 7.739 7.665 6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.011 8.915 8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.023 7.396 9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.280 9.448 7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.953 6.819 10.476 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.671 9.750 7.609 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.344 7.120 10.947 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.709 8.588 9.514 1.00 0.00 H new ATOM 839 N THR A 56 6.937 4.826 7.780 1.00 0.00 N ATOM 840 CA THR A 56 7.337 3.427 7.877 1.00 0.00 C ATOM 841 C THR A 56 6.178 2.499 7.500 1.00 0.00 C ATOM 842 O THR A 56 6.383 1.342 7.119 1.00 0.00 O ATOM 843 CB THR A 56 7.852 3.097 9.298 1.00 0.00 C ATOM 844 OG1 THR A 56 8.078 1.688 9.444 1.00 0.00 O ATOM 845 CG2 THR A 56 6.867 3.564 10.362 1.00 0.00 C ATOM 0 H THR A 56 6.003 5.024 8.140 1.00 0.00 H new ATOM 0 HA THR A 56 8.151 3.263 7.171 1.00 0.00 H new ATOM 0 HB THR A 56 8.795 3.627 9.434 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.405 1.501 10.349 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.256 3.319 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.731 4.643 10.283 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.909 3.065 10.215 1.00 0.00 H new ATOM 853 N SER A 57 4.961 3.017 7.585 1.00 0.00 N ATOM 854 CA SER A 57 3.783 2.250 7.226 1.00 0.00 C ATOM 855 C SER A 57 3.115 2.840 5.992 1.00 0.00 C ATOM 856 O SER A 57 3.280 4.022 5.687 1.00 0.00 O ATOM 857 CB SER A 57 2.810 2.212 8.407 1.00 0.00 C ATOM 858 OG SER A 57 2.670 3.495 8.992 1.00 0.00 O ATOM 0 H SER A 57 4.766 3.967 7.900 1.00 0.00 H new ATOM 0 HA SER A 57 4.083 1.230 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.837 1.854 8.070 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.168 1.505 9.155 1.00 0.00 H new ATOM 0 HG SER A 57 2.042 3.445 9.743 1.00 0.00 H new ATOM 864 N LEU A 58 2.387 2.005 5.278 1.00 0.00 N ATOM 865 CA LEU A 58 1.677 2.415 4.083 1.00 0.00 C ATOM 866 C LEU A 58 0.202 2.064 4.233 1.00 0.00 C ATOM 867 O LEU A 58 -0.163 0.888 4.332 1.00 0.00 O ATOM 868 CB LEU A 58 2.279 1.722 2.858 1.00 0.00 C ATOM 869 CG LEU A 58 1.684 2.125 1.508 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.983 3.588 1.192 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.228 1.221 0.416 1.00 0.00 C ATOM 0 H LEU A 58 2.271 1.019 5.511 1.00 0.00 H new ATOM 0 HA LEU A 58 1.772 3.492 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.350 1.926 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.162 0.645 2.979 1.00 0.00 H new ATOM 0 HG LEU A 58 0.601 2.011 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.549 3.848 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.553 4.223 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.062 3.740 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.801 1.512 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.313 1.314 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.961 0.187 0.633 1.00 0.00 H new ATOM 883 N THR A 59 -0.633 3.084 4.277 1.00 0.00 N ATOM 884 CA THR A 59 -2.054 2.908 4.496 1.00 0.00 C ATOM 885 C THR A 59 -2.785 2.860 3.154 1.00 0.00 C ATOM 886 O THR A 59 -2.928 3.878 2.478 1.00 0.00 O ATOM 887 CB THR A 59 -2.586 4.068 5.359 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.654 4.337 6.421 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.940 3.735 5.955 1.00 0.00 C ATOM 0 H THR A 59 -0.345 4.056 4.162 1.00 0.00 H new ATOM 0 HA THR A 59 -2.230 1.968 5.019 1.00 0.00 H new ATOM 0 HB THR A 59 -2.698 4.945 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.989 5.076 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.288 4.573 6.558 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.653 3.544 5.153 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.853 2.848 6.582 1.00 0.00 H new ATOM 897 N VAL A 60 -3.233 1.670 2.770 1.00 0.00 N ATOM 898 CA VAL A 60 -3.809 1.455 1.448 1.00 0.00 C ATOM 899 C VAL A 60 -5.326 1.302 1.513 1.00 0.00 C ATOM 900 O VAL A 60 -5.855 0.418 2.189 1.00 0.00 O ATOM 901 CB VAL A 60 -3.188 0.213 0.766 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.768 0.001 -0.624 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.676 0.355 0.693 1.00 0.00 C ATOM 0 H VAL A 60 -3.208 0.837 3.358 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.578 2.339 0.853 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.433 -0.662 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.312 -0.879 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.846 -0.146 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.562 0.875 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.251 -0.525 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.421 1.244 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.270 0.449 1.700 1.00 0.00 H new ATOM 913 N PHE A 61 -6.009 2.178 0.800 1.00 0.00 N ATOM 914 CA PHE A 61 -7.458 2.178 0.728 1.00 0.00 C ATOM 915 C PHE A 61 -7.909 1.765 -0.668 1.00 0.00 C ATOM 916 O PHE A 61 -7.240 2.051 -1.665 1.00 0.00 O ATOM 917 CB PHE A 61 -7.998 3.569 1.043 1.00 0.00 C ATOM 918 CG PHE A 61 -7.709 4.049 2.436 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.498 4.653 2.740 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.658 3.915 3.437 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.244 5.114 4.015 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.405 4.372 4.714 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.196 4.972 5.005 1.00 0.00 C ATOM 0 H PHE A 61 -5.570 2.916 0.250 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.844 1.468 1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.574 4.279 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.077 3.569 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.747 4.763 1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.606 3.448 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.299 5.587 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.152 4.260 5.486 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.995 5.329 6.004 1.00 0.00 H new ATOM 933 N TYR A 62 -9.052 1.116 -0.738 1.00 0.00 N ATOM 934 CA TYR A 62 -9.541 0.546 -1.980 1.00 0.00 C ATOM 935 C TYR A 62 -10.996 0.144 -1.826 1.00 0.00 C ATOM 936 O TYR A 62 -11.533 0.148 -0.719 1.00 0.00 O ATOM 937 CB TYR A 62 -8.701 -0.664 -2.385 1.00 0.00 C ATOM 938 CG TYR A 62 -8.359 -1.560 -1.226 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.333 -2.325 -0.606 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.062 -1.623 -0.738 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.024 -3.123 0.468 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.750 -2.427 0.334 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.739 -3.173 0.930 1.00 0.00 C ATOM 944 OH TYR A 62 -7.447 -3.970 2.000 1.00 0.00 O ATOM 0 H TYR A 62 -9.668 0.968 0.061 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.459 1.299 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.243 -1.241 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.780 -0.319 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.349 -2.294 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.287 -1.033 -1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.795 -3.710 0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.736 -2.472 0.704 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.227 -4.023 2.591 1.00 0.00 H new ATOM 954 N ASP A 63 -11.627 -0.201 -2.927 1.00 0.00 N ATOM 955 CA ASP A 63 -13.029 -0.553 -2.903 1.00 0.00 C ATOM 956 C ASP A 63 -13.205 -2.059 -2.969 1.00 0.00 C ATOM 957 O ASP A 63 -12.781 -2.713 -3.927 1.00 0.00 O ATOM 958 CB ASP A 63 -13.767 0.113 -4.050 1.00 0.00 C ATOM 959 CG ASP A 63 -15.219 0.358 -3.700 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.936 -0.618 -3.385 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.654 1.527 -3.731 1.00 0.00 O ATOM 0 H ASP A 63 -11.192 -0.245 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.452 -0.196 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.285 1.059 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.706 -0.515 -4.939 1.00 0.00 H new ATOM 966 N MET A 64 -13.842 -2.598 -1.944 1.00 0.00 N ATOM 967 CA MET A 64 -13.998 -4.038 -1.799 1.00 0.00 C ATOM 968 C MET A 64 -14.906 -4.609 -2.886 1.00 0.00 C ATOM 969 O MET A 64 -14.831 -5.797 -3.199 1.00 0.00 O ATOM 970 CB MET A 64 -14.558 -4.371 -0.410 1.00 0.00 C ATOM 971 CG MET A 64 -16.062 -4.605 -0.381 1.00 0.00 C ATOM 972 SD MET A 64 -16.831 -4.029 1.140 1.00 0.00 S ATOM 973 CE MET A 64 -16.594 -2.263 0.962 1.00 0.00 C ATOM 0 H MET A 64 -14.264 -2.054 -1.191 1.00 0.00 H new ATOM 0 HA MET A 64 -13.015 -4.497 -1.907 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.056 -5.262 -0.033 1.00 0.00 H new ATOM 0 HB3 MET A 64 -14.316 -3.556 0.272 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.520 -4.096 -1.229 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.261 -5.670 -0.502 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.912 -1.908 1.734 1.00 0.00 H new ATOM 0 HE2 MET A 64 -16.173 -2.050 -0.020 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.553 -1.755 1.064 1.00 0.00 H new ATOM 983 N TYR A 65 -15.751 -3.761 -3.469 1.00 0.00 N ATOM 984 CA TYR A 65 -16.698 -4.213 -4.486 1.00 0.00 C ATOM 985 C TYR A 65 -15.961 -4.703 -5.735 1.00 0.00 C ATOM 986 O TYR A 65 -16.464 -5.557 -6.470 1.00 0.00 O ATOM 987 CB TYR A 65 -17.680 -3.086 -4.864 1.00 0.00 C ATOM 988 CG TYR A 65 -17.340 -2.371 -6.161 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.318 -1.436 -6.218 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.040 -2.647 -7.330 1.00 0.00 C ATOM 991 CE1 TYR A 65 -15.994 -0.801 -7.398 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.725 -2.011 -8.516 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.701 -1.090 -8.542 1.00 0.00 C ATOM 994 OH TYR A 65 -16.369 -0.467 -9.721 1.00 0.00 O ATOM 0 H TYR A 65 -15.800 -2.765 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.266 -5.043 -4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.683 -3.506 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.705 -2.355 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.765 -1.201 -5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.842 -3.370 -7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.190 -0.081 -7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.278 -2.235 -9.416 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.526 -0.836 -10.060 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.751 -4.187 -5.949 1.00 0.00 N ATOM 1005 CA GLU A 66 -14.035 -4.427 -7.190 1.00 0.00 C ATOM 1006 C GLU A 66 -13.202 -5.684 -7.044 1.00 0.00 C ATOM 1007 O GLU A 66 -13.019 -6.451 -7.986 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.135 -3.232 -7.521 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.678 -3.180 -8.971 1.00 0.00 C ATOM 1010 CD GLU A 66 -13.797 -2.804 -9.922 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -14.528 -3.703 -10.370 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.951 -1.602 -10.229 1.00 0.00 O ATOM 0 H GLU A 66 -14.252 -3.603 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.749 -4.555 -8.004 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.671 -2.312 -7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.257 -3.263 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.867 -2.458 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.275 -4.152 -9.256 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.720 -5.894 -5.832 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.911 -7.053 -5.524 1.00 0.00 C ATOM 1021 C VAL A 67 -12.803 -8.283 -5.368 1.00 0.00 C ATOM 1022 O VAL A 67 -12.442 -9.377 -5.795 1.00 0.00 O ATOM 1023 CB VAL A 67 -11.069 -6.811 -4.251 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.398 -5.455 -4.336 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.904 -6.899 -2.985 1.00 0.00 C ATOM 0 H VAL A 67 -12.878 -5.270 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.220 -7.229 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.316 -7.597 -4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.805 -5.286 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.749 -5.425 -5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.158 -4.678 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.269 -6.722 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.693 -6.148 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.350 -7.891 -2.912 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.992 -8.072 -4.790 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.985 -9.132 -4.612 1.00 0.00 C ATOM 1037 C TYR A 68 -15.449 -9.667 -5.945 1.00 0.00 C ATOM 1038 O TYR A 68 -15.964 -10.782 -6.029 1.00 0.00 O ATOM 1039 CB TYR A 68 -16.202 -8.613 -3.859 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.330 -9.133 -2.445 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.292 -10.497 -2.188 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -16.512 -8.267 -1.376 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.428 -10.984 -0.905 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.647 -8.748 -0.086 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.605 -10.108 0.143 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.734 -10.595 1.423 1.00 0.00 O ATOM 0 H TYR A 68 -14.290 -7.164 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.506 -9.927 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.159 -7.524 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -17.100 -8.882 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.154 -11.188 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.549 -7.202 -1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.396 -12.048 -0.723 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.785 -8.063 0.737 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.851 -9.848 2.047 1.00 0.00 H new ATOM 1056 N LYS A 69 -15.301 -8.851 -6.978 1.00 0.00 N ATOM 1057 CA LYS A 69 -15.660 -9.267 -8.319 1.00 0.00 C ATOM 1058 C LYS A 69 -14.928 -10.546 -8.646 1.00 0.00 C ATOM 1059 O LYS A 69 -15.511 -11.534 -9.096 1.00 0.00 O ATOM 1060 CB LYS A 69 -15.250 -8.222 -9.343 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.979 -8.342 -10.672 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.053 -7.278 -10.812 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.452 -5.891 -10.671 1.00 0.00 C ATOM 1064 NZ LYS A 69 -17.420 -4.809 -10.979 1.00 0.00 N ATOM 0 H LYS A 69 -14.936 -7.901 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.741 -9.404 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.432 -7.230 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.177 -8.302 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.265 -8.250 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.431 -9.331 -10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.541 -7.372 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.821 -7.426 -10.053 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.082 -5.762 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.593 -5.803 -11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.956 -3.885 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.755 -4.911 -11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.229 -4.871 -10.328 1.00 0.00 H new ATOM 1078 N HIS A 70 -13.635 -10.510 -8.388 1.00 0.00 N ATOM 1079 CA HIS A 70 -12.782 -11.618 -8.695 1.00 0.00 C ATOM 1080 C HIS A 70 -12.719 -12.569 -7.504 1.00 0.00 C ATOM 1081 O HIS A 70 -13.164 -13.710 -7.612 1.00 0.00 O ATOM 1082 CB HIS A 70 -11.385 -11.122 -9.076 1.00 0.00 C ATOM 1083 CG HIS A 70 -10.469 -12.196 -9.583 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -9.102 -12.046 -9.651 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -10.730 -13.438 -10.060 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -8.563 -13.143 -10.146 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -9.528 -14.002 -10.399 1.00 0.00 N ATOM 0 H HIS A 70 -13.159 -9.714 -7.963 1.00 0.00 H new ATOM 0 HA HIS A 70 -13.191 -12.160 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.481 -10.351 -9.841 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.928 -10.652 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.703 -13.897 -10.155 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.509 -13.309 -10.315 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.401 -14.937 -10.785 1.00 0.00 H new ATOM 1096 N LEU A 71 -12.190 -12.060 -6.376 1.00 0.00 N ATOM 1097 CA LEU A 71 -12.025 -12.830 -5.131 1.00 0.00 C ATOM 1098 C LEU A 71 -11.694 -14.299 -5.418 1.00 0.00 C ATOM 1099 O LEU A 71 -12.563 -15.174 -5.335 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.285 -12.705 -4.261 1.00 0.00 C ATOM 1101 CG LEU A 71 -13.100 -12.036 -2.882 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.321 -12.927 -1.927 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.400 -10.692 -3.013 1.00 0.00 C ATOM 0 H LEU A 71 -11.863 -11.097 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.181 -12.413 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.031 -12.139 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.694 -13.703 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.097 -11.877 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.211 -12.423 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.858 -13.865 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.335 -13.133 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.284 -10.245 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.418 -10.836 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.996 -10.031 -3.643 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.428 -14.573 -5.784 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.978 -15.912 -6.194 1.00 0.00 C ATOM 1117 C PRO A 72 -10.287 -16.984 -5.155 1.00 0.00 C ATOM 1118 O PRO A 72 -10.361 -16.705 -3.959 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.464 -15.744 -6.354 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.273 -14.293 -6.619 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.327 -13.594 -5.812 1.00 0.00 C ATOM 0 HA PRO A 72 -10.485 -16.247 -7.099 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.933 -16.056 -5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.083 -16.351 -7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.275 -13.969 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.380 -14.071 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.974 -13.355 -4.809 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.633 -12.656 -6.275 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.452 -18.213 -5.624 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.823 -19.320 -4.757 1.00 0.00 C ATOM 1131 C GLN A 73 -9.626 -19.782 -3.942 1.00 0.00 C ATOM 1132 O GLN A 73 -8.886 -20.691 -4.324 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.416 -20.458 -5.578 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.694 -20.055 -6.289 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.819 -19.717 -5.327 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.593 -20.588 -4.930 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.924 -18.453 -4.945 1.00 0.00 N ATOM 0 H GLN A 73 -10.334 -18.468 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.587 -18.981 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.684 -20.791 -6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.619 -21.306 -4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.494 -19.193 -6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.012 -20.867 -6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.264 -17.758 -5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.665 -18.175 -4.301 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.467 -19.126 -2.814 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.324 -19.306 -1.953 1.00 0.00 C ATOM 1148 C GLY A 74 -8.143 -18.050 -1.144 1.00 0.00 C ATOM 1149 O GLY A 74 -7.693 -18.073 -0.001 1.00 0.00 O ATOM 0 H GLY A 74 -10.139 -18.443 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.474 -20.163 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.431 -19.510 -2.544 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.528 -16.946 -1.768 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.650 -15.668 -1.102 1.00 0.00 C ATOM 1155 C ILE A 75 -9.968 -15.635 -0.341 1.00 0.00 C ATOM 1156 O ILE A 75 -11.042 -15.711 -0.935 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.624 -14.535 -2.142 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.364 -14.641 -3.008 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.699 -13.178 -1.465 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -6.083 -14.265 -2.289 1.00 0.00 C ATOM 0 H ILE A 75 -8.765 -16.917 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.819 -15.532 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.498 -14.637 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.274 -15.663 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.481 -13.997 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.679 -12.393 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.624 -13.107 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.848 -13.058 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.239 -14.367 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.148 -13.233 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.939 -14.924 -1.433 1.00 0.00 H new ATOM 1172 N SER A 76 -9.884 -15.549 0.968 1.00 0.00 N ATOM 1173 CA SER A 76 -11.066 -15.584 1.803 1.00 0.00 C ATOM 1174 C SER A 76 -11.488 -14.170 2.178 1.00 0.00 C ATOM 1175 O SER A 76 -12.547 -13.956 2.770 1.00 0.00 O ATOM 1176 CB SER A 76 -10.766 -16.403 3.056 1.00 0.00 C ATOM 1177 OG SER A 76 -10.264 -17.684 2.708 1.00 0.00 O ATOM 0 H SER A 76 -9.007 -15.454 1.480 1.00 0.00 H new ATOM 0 HA SER A 76 -11.887 -16.048 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.039 -15.877 3.675 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.672 -16.511 3.652 1.00 0.00 H new ATOM 0 HG SER A 76 -10.076 -18.194 3.523 1.00 0.00 H new ATOM 1183 N SER A 77 -10.664 -13.206 1.796 1.00 0.00 N ATOM 1184 CA SER A 77 -10.846 -11.834 2.224 1.00 0.00 C ATOM 1185 C SER A 77 -10.592 -10.841 1.086 1.00 0.00 C ATOM 1186 O SER A 77 -9.594 -10.949 0.382 1.00 0.00 O ATOM 1187 CB SER A 77 -9.877 -11.553 3.364 1.00 0.00 C ATOM 1188 OG SER A 77 -10.075 -12.445 4.450 1.00 0.00 O ATOM 0 H SER A 77 -9.859 -13.354 1.187 1.00 0.00 H new ATOM 0 HA SER A 77 -11.879 -11.707 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.853 -11.642 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.006 -10.527 3.707 1.00 0.00 H new ATOM 0 HG SER A 77 -9.436 -12.238 5.164 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.499 -9.867 0.890 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.312 -8.765 -0.069 1.00 0.00 C ATOM 1196 C PRO A 78 -9.922 -8.136 -0.003 1.00 0.00 C ATOM 1197 O PRO A 78 -9.203 -8.096 -1.003 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.376 -7.766 0.379 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.483 -8.639 0.831 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.816 -9.778 1.558 1.00 0.00 C ATOM 0 HA PRO A 78 -11.402 -9.098 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.014 -7.124 1.182 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.685 -7.112 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.167 -8.100 1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.069 -9.001 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.716 -9.574 2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.381 -10.705 1.463 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.551 -7.657 1.181 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.239 -7.046 1.401 1.00 0.00 C ATOM 1210 C PHE A 79 -7.110 -7.996 0.989 1.00 0.00 C ATOM 1211 O PHE A 79 -6.050 -7.567 0.533 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.096 -6.642 2.879 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.353 -7.624 3.744 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -8.012 -8.676 4.359 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.989 -7.486 3.942 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -7.323 -9.570 5.157 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.295 -8.373 4.735 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.961 -9.421 5.343 1.00 0.00 C ATOM 0 H PHE A 79 -10.144 -7.680 2.010 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.163 -6.155 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.585 -5.680 2.928 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.092 -6.496 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.075 -8.799 4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.462 -6.671 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.848 -10.384 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.232 -8.250 4.882 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.419 -10.121 5.961 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.365 -9.288 1.128 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.368 -10.309 0.857 1.00 0.00 C ATOM 1230 C GLU A 80 -6.136 -10.472 -0.644 1.00 0.00 C ATOM 1231 O GLU A 80 -5.058 -10.891 -1.069 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.811 -11.622 1.501 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.972 -12.831 1.137 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.404 -14.063 1.898 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.568 -14.486 1.742 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.590 -14.594 2.675 1.00 0.00 O ATOM 0 H GLU A 80 -8.267 -9.656 1.431 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.415 -10.005 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.796 -11.501 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.845 -11.818 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.051 -13.019 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.923 -12.623 1.348 1.00 0.00 H new ATOM 1243 N SER A 81 -7.130 -10.107 -1.447 1.00 0.00 N ATOM 1244 CA SER A 81 -6.986 -10.172 -2.889 1.00 0.00 C ATOM 1245 C SER A 81 -6.129 -9.001 -3.341 1.00 0.00 C ATOM 1246 O SER A 81 -5.298 -9.124 -4.235 1.00 0.00 O ATOM 1247 CB SER A 81 -8.359 -10.137 -3.578 1.00 0.00 C ATOM 1248 OG SER A 81 -8.255 -10.413 -4.967 1.00 0.00 O ATOM 0 H SER A 81 -8.035 -9.766 -1.123 1.00 0.00 H new ATOM 0 HA SER A 81 -6.506 -11.110 -3.167 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.020 -10.867 -3.110 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.814 -9.157 -3.434 1.00 0.00 H new ATOM 0 HG SER A 81 -9.146 -10.384 -5.374 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.317 -7.879 -2.665 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.575 -6.659 -2.945 1.00 0.00 C ATOM 1256 C VAL A 82 -4.089 -6.844 -2.678 1.00 0.00 C ATOM 1257 O VAL A 82 -3.249 -6.210 -3.319 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.092 -5.515 -2.070 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.354 -4.225 -2.380 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.589 -5.352 -2.260 1.00 0.00 C ATOM 0 H VAL A 82 -6.990 -7.788 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.720 -6.421 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.904 -5.758 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.738 -3.425 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.289 -4.360 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.505 -3.962 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.949 -4.536 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.801 -5.128 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.094 -6.276 -1.978 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.767 -7.713 -1.725 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.377 -8.033 -1.433 1.00 0.00 C ATOM 1272 C LYS A 83 -1.688 -8.478 -2.710 1.00 0.00 C ATOM 1273 O LYS A 83 -0.546 -8.132 -2.966 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.271 -9.149 -0.396 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.909 -8.836 0.942 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.179 -9.516 2.095 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.711 -10.927 1.750 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.838 -11.865 1.499 1.00 0.00 N ATOM 0 H LYS A 83 -4.447 -8.205 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.898 -7.140 -1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.734 -10.048 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.217 -9.378 -0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.911 -7.757 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.950 -9.158 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.317 -8.912 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.839 -9.559 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.074 -10.887 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.100 -11.312 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.464 -12.822 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.471 -11.876 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.368 -11.554 0.660 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.422 -9.217 -3.529 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.894 -9.723 -4.788 1.00 0.00 C ATOM 1294 C ARG A 84 -1.572 -8.567 -5.725 1.00 0.00 C ATOM 1295 O ARG A 84 -0.573 -8.591 -6.437 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.904 -10.652 -5.462 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.523 -11.678 -4.526 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.465 -12.493 -3.799 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.366 -12.874 -4.676 1.00 0.00 N ATOM 1300 CZ ARG A 84 -0.094 -12.917 -4.291 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.223 -12.749 -3.015 1.00 0.00 N ATOM 1302 NH2 ARG A 84 0.854 -13.160 -5.184 1.00 0.00 N ATOM 0 H ARG A 84 -3.390 -9.481 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.984 -10.283 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.699 -10.050 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.411 -11.174 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.154 -11.170 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.168 -12.347 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.075 -11.915 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.923 -13.390 -3.382 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.585 -13.122 -5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.510 -12.586 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.200 -12.783 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.607 -13.313 -6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.831 -13.194 -4.894 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.422 -7.548 -5.685 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.311 -6.396 -6.561 1.00 0.00 C ATOM 1318 C ASP A 85 -1.116 -5.539 -6.181 1.00 0.00 C ATOM 1319 O ASP A 85 -0.456 -4.955 -7.039 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.590 -5.554 -6.492 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.812 -6.306 -6.984 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.895 -6.588 -8.196 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.690 -6.627 -6.162 1.00 0.00 O ATOM 0 H ASP A 85 -3.210 -7.501 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.170 -6.758 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.755 -5.234 -5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.459 -4.652 -7.089 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.839 -5.455 -4.893 1.00 0.00 N ATOM 1329 CA VAL A 86 0.273 -4.652 -4.425 1.00 0.00 C ATOM 1330 C VAL A 86 1.575 -5.454 -4.434 1.00 0.00 C ATOM 1331 O VAL A 86 2.598 -4.957 -4.884 1.00 0.00 O ATOM 1332 CB VAL A 86 0.003 -4.039 -3.027 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.215 -3.133 -3.081 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.183 -5.109 -1.959 1.00 0.00 C ATOM 0 H VAL A 86 -1.364 -5.929 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 86 0.383 -3.821 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 86 0.879 -3.453 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.396 -2.708 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.039 -2.329 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.085 -3.711 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.370 -4.633 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.031 -5.742 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.718 -5.719 -1.894 1.00 0.00 H new ATOM 1344 N GLU A 87 1.518 -6.705 -3.987 1.00 0.00 N ATOM 1345 CA GLU A 87 2.701 -7.563 -3.915 1.00 0.00 C ATOM 1346 C GLU A 87 3.234 -7.928 -5.296 1.00 0.00 C ATOM 1347 O GLU A 87 4.438 -8.090 -5.471 1.00 0.00 O ATOM 1348 CB GLU A 87 2.385 -8.842 -3.146 1.00 0.00 C ATOM 1349 CG GLU A 87 2.158 -8.624 -1.657 1.00 0.00 C ATOM 1350 CD GLU A 87 3.420 -8.210 -0.923 1.00 0.00 C ATOM 1351 OE1 GLU A 87 3.775 -7.013 -0.965 1.00 0.00 O ATOM 1352 OE2 GLU A 87 4.055 -9.083 -0.300 1.00 0.00 O ATOM 0 H GLU A 87 0.659 -7.152 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 87 3.471 -6.995 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.496 -9.303 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.205 -9.547 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.395 -7.858 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.771 -9.542 -1.215 1.00 0.00 H new