USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 478 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 21 MET CE :methyl 136:sc= -0.0844 (180deg=-0.191) USER MOD Set 1.2: A 25 MET CE :methyl -150:sc= -4 (180deg=-6.31!) USER MOD Single : A 16 GLN : amide:sc= -0.015 K(o=-0.015,f=-0.98) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 8:sc= -0.266! USER MOD Single : A 33 CYS SG : rot 180:sc= -3.53! USER MOD Single : A 36 HIS : no HD1:sc= -8.23! C(o=-8.2!,f=-6.9!) USER MOD Single : A 37 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.0091) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 SER OG : rot 180:sc= -0.106 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.935 USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0799 (180deg=-0.457) USER MOD Single : A 55 THR OG1 : rot -96:sc= 0.206 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 59 GLN : amide:sc= -0.403 K(o=-0.4,f=-1.4) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 60:sc= -5.19! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc=-0.00323 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 3.057 -4.234 -5.174 1.00 0.00 N ATOM 31 CA GLN A 16 4.109 -5.109 -5.663 1.00 0.00 C ATOM 32 C GLN A 16 4.339 -4.879 -7.158 1.00 0.00 C ATOM 33 O GLN A 16 5.464 -4.995 -7.642 1.00 0.00 O ATOM 34 CB GLN A 16 3.780 -6.575 -5.377 1.00 0.00 C ATOM 35 CG GLN A 16 4.962 -7.481 -5.726 1.00 0.00 C ATOM 36 CD GLN A 16 4.880 -8.807 -4.967 1.00 0.00 C ATOM 37 OE1 GLN A 16 3.883 -9.136 -4.347 1.00 0.00 O ATOM 38 NE2 GLN A 16 5.983 -9.547 -5.050 1.00 0.00 N ATOM 0 HA GLN A 16 5.031 -4.868 -5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.524 -6.695 -4.324 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.905 -6.874 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.974 -7.672 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.896 -6.976 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.783 -9.212 -5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.028 -10.450 -4.577 1.00 0.00 H new ATOM 47 N GLU A 17 3.254 -4.559 -7.848 1.00 0.00 N ATOM 48 CA GLU A 17 3.323 -4.312 -9.279 1.00 0.00 C ATOM 49 C GLU A 17 4.052 -2.996 -9.556 1.00 0.00 C ATOM 50 O GLU A 17 4.969 -2.950 -10.374 1.00 0.00 O ATOM 51 CB GLU A 17 1.926 -4.307 -9.902 1.00 0.00 C ATOM 52 CG GLU A 17 1.233 -5.657 -9.707 1.00 0.00 C ATOM 53 CD GLU A 17 1.988 -6.771 -10.436 1.00 0.00 C ATOM 54 OE1 GLU A 17 2.849 -6.486 -11.281 1.00 0.00 O ATOM 55 OE2 GLU A 17 1.652 -7.969 -10.097 1.00 0.00 O ATOM 0 H GLU A 17 2.322 -4.465 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 17 3.888 -5.122 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.325 -3.517 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.999 -4.082 -10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.173 -5.889 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.210 -5.602 -10.079 1.00 0.00 H new ATOM 63 N GLN A 18 3.617 -1.957 -8.858 1.00 0.00 N ATOM 64 CA GLN A 18 4.217 -0.643 -9.018 1.00 0.00 C ATOM 65 C GLN A 18 5.698 -0.686 -8.637 1.00 0.00 C ATOM 66 O GLN A 18 6.509 0.047 -9.201 1.00 0.00 O ATOM 67 CB GLN A 18 3.468 0.405 -8.193 1.00 0.00 C ATOM 68 CG GLN A 18 4.065 0.527 -6.790 1.00 0.00 C ATOM 69 CD GLN A 18 3.299 1.556 -5.956 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.538 2.363 -6.464 1.00 0.00 O ATOM 71 NE2 GLN A 18 3.540 1.482 -4.650 1.00 0.00 N ATOM 0 H GLN A 18 2.856 -1.998 -8.180 1.00 0.00 H new ATOM 0 HA GLN A 18 4.140 -0.355 -10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.514 1.370 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.415 0.132 -8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.037 -0.443 -6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.113 0.818 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.189 0.782 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.076 2.125 -4.009 1.00 0.00 H new ATOM 80 N TRP A 19 6.006 -1.551 -7.682 1.00 0.00 N ATOM 81 CA TRP A 19 7.375 -1.699 -7.219 1.00 0.00 C ATOM 82 C TRP A 19 8.197 -2.303 -8.359 1.00 0.00 C ATOM 83 O TRP A 19 9.381 -2.003 -8.502 1.00 0.00 O ATOM 84 CB TRP A 19 7.433 -2.529 -5.935 1.00 0.00 C ATOM 85 CG TRP A 19 8.845 -2.969 -5.542 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.692 -2.365 -4.698 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.543 -4.141 -6.015 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.881 -3.059 -4.593 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.787 -4.173 -5.419 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.136 -5.140 -6.916 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.726 -5.183 -5.659 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.086 -6.143 -7.145 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.343 -6.189 -6.554 1.00 0.00 C ATOM 0 H TRP A 19 5.330 -2.157 -7.216 1.00 0.00 H new ATOM 0 HA TRP A 19 7.801 -0.730 -6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.004 -1.947 -5.119 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.809 -3.414 -6.058 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.473 -1.451 -4.167 1.00 0.00 H new ATOM 0 HE1 TRP A 19 11.681 -2.802 -4.015 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.167 -5.135 -7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.694 -5.186 -5.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.823 -6.937 -7.829 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.021 -6.997 -6.784 1.00 0.00 H new ATOM 104 N ALA A 20 7.536 -3.144 -9.141 1.00 0.00 N ATOM 105 CA ALA A 20 8.191 -3.793 -10.264 1.00 0.00 C ATOM 106 C ALA A 20 8.613 -2.734 -11.285 1.00 0.00 C ATOM 107 O ALA A 20 9.724 -2.781 -11.811 1.00 0.00 O ATOM 108 CB ALA A 20 7.254 -4.842 -10.866 1.00 0.00 C ATOM 0 H ALA A 20 6.554 -3.391 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 20 9.092 -4.311 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.746 -5.329 -11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.008 -5.587 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.339 -4.359 -11.210 1.00 0.00 H new ATOM 114 N MET A 21 7.703 -1.804 -11.534 1.00 0.00 N ATOM 115 CA MET A 21 7.967 -0.735 -12.483 1.00 0.00 C ATOM 116 C MET A 21 9.280 -0.022 -12.155 1.00 0.00 C ATOM 117 O MET A 21 9.855 0.651 -13.009 1.00 0.00 O ATOM 118 CB MET A 21 6.816 0.273 -12.448 1.00 0.00 C ATOM 119 CG MET A 21 5.544 -0.326 -13.049 1.00 0.00 C ATOM 120 SD MET A 21 4.114 0.579 -12.481 1.00 0.00 S ATOM 121 CE MET A 21 4.075 1.888 -13.694 1.00 0.00 C ATOM 0 H MET A 21 6.783 -1.768 -11.096 1.00 0.00 H new ATOM 0 HA MET A 21 8.051 -1.171 -13.479 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.627 0.579 -11.419 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.096 1.170 -13.001 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.596 -0.294 -14.137 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.457 -1.375 -12.765 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.050 2.041 -14.032 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.451 2.809 -13.248 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.700 1.615 -14.544 1.00 0.00 H new ATOM 131 N GLN A 22 9.717 -0.196 -10.916 1.00 0.00 N ATOM 132 CA GLN A 22 10.952 0.423 -10.465 1.00 0.00 C ATOM 133 C GLN A 22 12.004 0.379 -11.575 1.00 0.00 C ATOM 134 O GLN A 22 12.245 1.381 -12.247 1.00 0.00 O ATOM 135 CB GLN A 22 11.470 -0.251 -9.192 1.00 0.00 C ATOM 136 CG GLN A 22 12.727 0.450 -8.673 1.00 0.00 C ATOM 137 CD GLN A 22 13.172 -0.144 -7.335 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.199 0.518 -6.311 1.00 0.00 O ATOM 139 NE2 GLN A 22 13.520 -1.426 -7.401 1.00 0.00 N ATOM 0 H GLN A 22 9.238 -0.756 -10.211 1.00 0.00 H new ATOM 0 HA GLN A 22 10.747 1.467 -10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.696 -0.232 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.691 -1.299 -9.395 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.530 0.353 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.531 1.516 -8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.474 -1.922 -8.291 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.833 -1.913 -6.561 1.00 0.00 H new ATOM 148 N THR A 23 12.603 -0.792 -11.733 1.00 0.00 N ATOM 149 CA THR A 23 13.623 -0.980 -12.751 1.00 0.00 C ATOM 150 C THR A 23 12.987 -1.036 -14.141 1.00 0.00 C ATOM 151 O THR A 23 13.375 -0.287 -15.036 1.00 0.00 O ATOM 152 CB THR A 23 14.419 -2.237 -12.396 1.00 0.00 C ATOM 153 OG1 THR A 23 15.418 -1.772 -11.492 1.00 0.00 O ATOM 154 CG2 THR A 23 15.216 -2.781 -13.584 1.00 0.00 C ATOM 0 H THR A 23 12.402 -1.620 -11.173 1.00 0.00 H new ATOM 0 HA THR A 23 14.314 -0.137 -12.779 1.00 0.00 H new ATOM 0 HB THR A 23 13.738 -3.007 -12.033 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.979 -2.524 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.763 -3.673 -13.278 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.533 -3.034 -14.395 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.921 -2.023 -13.927 1.00 0.00 H new ATOM 162 N LEU A 24 12.019 -1.931 -14.278 1.00 0.00 N ATOM 163 CA LEU A 24 11.325 -2.095 -15.543 1.00 0.00 C ATOM 164 C LEU A 24 11.136 -0.725 -16.197 1.00 0.00 C ATOM 165 O LEU A 24 11.663 -0.471 -17.279 1.00 0.00 O ATOM 166 CB LEU A 24 10.019 -2.866 -15.342 1.00 0.00 C ATOM 167 CG LEU A 24 9.084 -2.928 -16.552 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.991 -3.979 -16.346 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.501 -1.549 -16.866 1.00 0.00 C ATOM 0 H LEU A 24 11.699 -2.550 -13.533 1.00 0.00 H new ATOM 0 HA LEU A 24 11.921 -2.697 -16.229 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.264 -3.886 -15.045 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.477 -2.413 -14.512 1.00 0.00 H new ATOM 0 HG LEU A 24 9.668 -3.235 -17.420 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.340 -4.003 -17.220 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.449 -4.958 -16.208 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.404 -3.725 -15.463 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.840 -1.621 -17.730 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.936 -1.188 -16.006 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.311 -0.853 -17.086 1.00 0.00 H new ATOM 181 N MET A 25 10.382 0.123 -15.513 1.00 0.00 N ATOM 182 CA MET A 25 10.117 1.461 -16.014 1.00 0.00 C ATOM 183 C MET A 25 11.352 2.353 -15.877 1.00 0.00 C ATOM 184 O MET A 25 11.547 3.276 -16.666 1.00 0.00 O ATOM 185 CB MET A 25 8.954 2.077 -15.234 1.00 0.00 C ATOM 186 CG MET A 25 9.437 3.225 -14.344 1.00 0.00 C ATOM 187 SD MET A 25 8.104 3.790 -13.300 1.00 0.00 S ATOM 188 CE MET A 25 6.913 4.260 -14.544 1.00 0.00 C ATOM 0 H MET A 25 9.946 -0.091 -14.616 1.00 0.00 H new ATOM 0 HA MET A 25 9.860 1.388 -17.071 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.199 2.444 -15.929 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.477 1.312 -14.621 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.275 2.893 -13.731 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.800 4.047 -14.961 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.296 5.076 -14.167 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.436 4.586 -15.443 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.279 3.406 -14.782 1.00 0.00 H new ATOM 198 N GLY A 26 12.156 2.045 -14.870 1.00 0.00 N ATOM 199 CA GLY A 26 13.368 2.807 -14.619 1.00 0.00 C ATOM 200 C GLY A 26 14.382 2.610 -15.747 1.00 0.00 C ATOM 201 O GLY A 26 15.407 3.288 -15.791 1.00 0.00 O ATOM 0 H GLY A 26 11.992 1.278 -14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.124 3.865 -14.525 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.808 2.496 -13.671 1.00 0.00 H new ATOM 205 N SER A 27 14.061 1.677 -16.632 1.00 0.00 N ATOM 206 CA SER A 27 14.932 1.382 -17.758 1.00 0.00 C ATOM 207 C SER A 27 15.051 2.609 -18.664 1.00 0.00 C ATOM 208 O SER A 27 15.873 2.633 -19.578 1.00 0.00 O ATOM 209 CB SER A 27 14.415 0.182 -18.554 1.00 0.00 C ATOM 210 OG SER A 27 14.886 0.191 -19.899 1.00 0.00 O ATOM 0 H SER A 27 13.210 1.116 -16.592 1.00 0.00 H new ATOM 0 HA SER A 27 15.919 1.129 -17.370 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.730 -0.740 -18.066 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.325 0.188 -18.551 1.00 0.00 H new ATOM 0 HG SER A 27 15.552 0.901 -20.007 1.00 0.00 H new ATOM 216 N GLY A 28 14.218 3.599 -18.377 1.00 0.00 N ATOM 217 CA GLY A 28 14.219 4.827 -19.155 1.00 0.00 C ATOM 218 C GLY A 28 13.104 4.813 -20.203 1.00 0.00 C ATOM 219 O GLY A 28 13.021 5.713 -21.037 1.00 0.00 O ATOM 0 H GLY A 28 13.538 3.576 -17.617 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.089 5.682 -18.492 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.184 4.949 -19.647 1.00 0.00 H new ATOM 223 N VAL A 29 12.276 3.782 -20.126 1.00 0.00 N ATOM 224 CA VAL A 29 11.170 3.639 -21.058 1.00 0.00 C ATOM 225 C VAL A 29 10.083 4.659 -20.712 1.00 0.00 C ATOM 226 O VAL A 29 9.557 5.334 -21.596 1.00 0.00 O ATOM 227 CB VAL A 29 10.661 2.196 -21.048 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.586 1.987 -22.117 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.814 1.207 -21.229 1.00 0.00 C ATOM 0 H VAL A 29 12.349 3.037 -19.433 1.00 0.00 H new ATOM 0 HA VAL A 29 11.499 3.847 -22.076 1.00 0.00 H new ATOM 0 HB VAL A 29 10.207 2.007 -20.075 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.241 0.953 -22.089 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.747 2.655 -21.924 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.004 2.203 -23.100 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.425 0.189 -21.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.309 1.396 -22.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.530 1.330 -20.417 1.00 0.00 H new ATOM 239 N LEU A 30 9.779 4.739 -19.425 1.00 0.00 N ATOM 240 CA LEU A 30 8.764 5.665 -18.952 1.00 0.00 C ATOM 241 C LEU A 30 9.443 6.855 -18.271 1.00 0.00 C ATOM 242 O LEU A 30 10.668 6.900 -18.169 1.00 0.00 O ATOM 243 CB LEU A 30 7.752 4.942 -18.061 1.00 0.00 C ATOM 244 CG LEU A 30 6.884 3.887 -18.751 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.130 3.040 -17.724 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.940 4.533 -19.767 1.00 0.00 C ATOM 0 H LEU A 30 10.218 4.178 -18.695 1.00 0.00 H new ATOM 0 HA LEU A 30 8.190 6.061 -19.790 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.293 4.462 -17.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.095 5.687 -17.612 1.00 0.00 H new ATOM 0 HG LEU A 30 7.539 3.214 -19.304 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.521 2.298 -18.241 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.844 2.534 -17.075 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.487 3.683 -17.124 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.335 3.762 -20.243 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.288 5.243 -19.258 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.524 5.055 -20.525 1.00 0.00 H new ATOM 258 N ALA A 31 8.618 7.789 -17.823 1.00 0.00 N ATOM 259 CA ALA A 31 9.123 8.976 -17.155 1.00 0.00 C ATOM 260 C ALA A 31 8.495 9.079 -15.763 1.00 0.00 C ATOM 261 O ALA A 31 7.279 8.969 -15.618 1.00 0.00 O ATOM 262 CB ALA A 31 8.838 10.208 -18.016 1.00 0.00 C ATOM 0 H ALA A 31 7.603 7.748 -17.909 1.00 0.00 H new ATOM 0 HA ALA A 31 10.203 8.913 -17.025 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.217 11.098 -17.514 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.331 10.099 -18.982 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.763 10.306 -18.166 1.00 0.00 H new ATOM 268 N ARG A 32 9.353 9.289 -14.776 1.00 0.00 N ATOM 269 CA ARG A 32 8.897 9.409 -13.401 1.00 0.00 C ATOM 270 C ARG A 32 9.400 10.716 -12.787 1.00 0.00 C ATOM 271 O ARG A 32 10.584 11.036 -12.882 1.00 0.00 O ATOM 272 CB ARG A 32 9.388 8.233 -12.554 1.00 0.00 C ATOM 273 CG ARG A 32 10.833 7.871 -12.903 1.00 0.00 C ATOM 274 CD ARG A 32 11.423 6.911 -11.868 1.00 0.00 C ATOM 275 NE ARG A 32 12.831 6.605 -12.207 1.00 0.00 N ATOM 276 CZ ARG A 32 13.496 5.533 -11.756 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.885 4.657 -10.947 1.00 0.00 N ATOM 278 NH2 ARG A 32 14.772 5.336 -12.116 1.00 0.00 N ATOM 0 H ARG A 32 10.361 9.379 -14.901 1.00 0.00 H new ATOM 0 HA ARG A 32 7.807 9.405 -13.411 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.319 8.488 -11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.744 7.369 -12.717 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.868 7.412 -13.891 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.437 8.777 -12.950 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.368 7.356 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.839 5.991 -11.839 1.00 0.00 H new ATOM 0 HE ARG A 32 13.326 7.251 -12.822 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.913 4.806 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.391 3.841 -10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.236 6.002 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.279 4.520 -11.773 1.00 0.00 H new ATOM 292 N CYS A 33 8.476 11.437 -12.169 1.00 0.00 N ATOM 293 CA CYS A 33 8.811 12.703 -11.539 1.00 0.00 C ATOM 294 C CYS A 33 9.207 12.426 -10.087 1.00 0.00 C ATOM 295 O CYS A 33 8.538 11.664 -9.392 1.00 0.00 O ATOM 296 CB CYS A 33 7.659 13.705 -11.635 1.00 0.00 C ATOM 297 SG CYS A 33 8.306 15.414 -11.525 1.00 0.00 S ATOM 0 H CYS A 33 7.495 11.168 -12.091 1.00 0.00 H new ATOM 0 HA CYS A 33 9.649 13.162 -12.063 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.125 13.569 -12.576 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.943 13.526 -10.833 1.00 0.00 H new ATOM 0 HG CYS A 33 7.320 16.257 -11.610 1.00 0.00 H new ATOM 302 N ARG A 34 10.294 13.062 -9.673 1.00 0.00 N ATOM 303 CA ARG A 34 10.787 12.894 -8.316 1.00 0.00 C ATOM 304 C ARG A 34 9.708 13.291 -7.306 1.00 0.00 C ATOM 305 O ARG A 34 9.702 12.804 -6.176 1.00 0.00 O ATOM 306 CB ARG A 34 12.037 13.743 -8.076 1.00 0.00 C ATOM 307 CG ARG A 34 11.670 15.211 -7.856 1.00 0.00 C ATOM 308 CD ARG A 34 12.924 16.078 -7.733 1.00 0.00 C ATOM 309 NE ARG A 34 13.522 16.296 -9.069 1.00 0.00 N ATOM 310 CZ ARG A 34 14.465 17.212 -9.329 1.00 0.00 C ATOM 311 NH1 ARG A 34 14.922 18.001 -8.348 1.00 0.00 N ATOM 312 NH2 ARG A 34 14.950 17.340 -10.572 1.00 0.00 N ATOM 0 H ARG A 34 10.846 13.694 -10.253 1.00 0.00 H new ATOM 0 HA ARG A 34 11.044 11.843 -8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.576 13.365 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.709 13.657 -8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.059 15.565 -8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.067 15.307 -6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.671 17.036 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.647 15.595 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 34 13.196 15.713 -9.840 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.552 17.905 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.640 18.698 -8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.601 16.740 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.668 18.037 -10.770 1.00 0.00 H new ATOM 326 N ILE A 35 8.822 14.170 -7.750 1.00 0.00 N ATOM 327 CA ILE A 35 7.741 14.637 -6.899 1.00 0.00 C ATOM 328 C ILE A 35 6.544 13.695 -7.038 1.00 0.00 C ATOM 329 O ILE A 35 5.668 13.666 -6.175 1.00 0.00 O ATOM 330 CB ILE A 35 7.412 16.099 -7.205 1.00 0.00 C ATOM 331 CG1 ILE A 35 6.198 16.568 -6.400 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.222 16.315 -8.708 1.00 0.00 C ATOM 333 CD1 ILE A 35 5.776 17.979 -6.816 1.00 0.00 C ATOM 0 H ILE A 35 8.831 14.571 -8.688 1.00 0.00 H new ATOM 0 HA ILE A 35 8.044 14.615 -5.852 1.00 0.00 H new ATOM 0 HB ILE A 35 8.259 16.712 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.368 15.877 -6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.435 16.554 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.989 17.363 -8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.139 16.046 -9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.403 15.691 -9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.911 18.288 -6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.600 18.671 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.516 17.984 -7.875 1.00 0.00 H new ATOM 345 N HIS A 36 6.545 12.947 -8.132 1.00 0.00 N ATOM 346 CA HIS A 36 5.470 12.006 -8.396 1.00 0.00 C ATOM 347 C HIS A 36 6.049 10.601 -8.571 1.00 0.00 C ATOM 348 O HIS A 36 6.620 10.286 -9.614 1.00 0.00 O ATOM 349 CB HIS A 36 4.635 12.457 -9.596 1.00 0.00 C ATOM 350 CG HIS A 36 4.570 13.956 -9.770 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.078 14.803 -8.793 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.939 14.748 -10.817 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.152 16.047 -9.242 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.686 16.011 -10.497 1.00 0.00 N ATOM 0 H HIS A 36 7.273 12.974 -8.846 1.00 0.00 H new ATOM 0 HA HIS A 36 4.790 11.978 -7.545 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.050 12.014 -10.501 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.622 12.070 -9.487 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.365 14.406 -11.749 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.844 16.934 -8.708 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.862 16.821 -11.091 1.00 0.00 H new ATOM 362 N ASN A 37 5.881 9.793 -7.534 1.00 0.00 N ATOM 363 CA ASN A 37 6.381 8.428 -7.560 1.00 0.00 C ATOM 364 C ASN A 37 5.252 7.485 -7.980 1.00 0.00 C ATOM 365 O ASN A 37 5.505 6.415 -8.531 1.00 0.00 O ATOM 366 CB ASN A 37 6.870 7.995 -6.177 1.00 0.00 C ATOM 367 CG ASN A 37 8.092 8.808 -5.748 1.00 0.00 C ATOM 368 OD1 ASN A 37 9.220 8.343 -5.773 1.00 0.00 O ATOM 369 ND2 ASN A 37 7.807 10.046 -5.354 1.00 0.00 N ATOM 0 H ASN A 37 5.406 10.057 -6.671 1.00 0.00 H new ATOM 0 HA ASN A 37 7.211 8.385 -8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.070 8.123 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.121 6.934 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.555 10.669 -5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.841 10.373 -5.357 1.00 0.00 H new ATOM 376 N ASP A 38 4.030 7.916 -7.703 1.00 0.00 N ATOM 377 CA ASP A 38 2.861 7.123 -8.045 1.00 0.00 C ATOM 378 C ASP A 38 2.338 7.558 -9.415 1.00 0.00 C ATOM 379 O ASP A 38 1.194 7.272 -9.766 1.00 0.00 O ATOM 380 CB ASP A 38 1.740 7.326 -7.024 1.00 0.00 C ATOM 381 CG ASP A 38 0.806 6.128 -6.842 1.00 0.00 C ATOM 382 OD1 ASP A 38 -0.426 6.273 -6.842 1.00 0.00 O ATOM 383 OD2 ASP A 38 1.399 4.993 -6.692 1.00 0.00 O ATOM 0 H ASP A 38 3.824 8.804 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 38 3.156 6.074 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.187 7.569 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.146 8.188 -7.326 1.00 0.00 H new ATOM 389 N VAL A 39 3.200 8.243 -10.152 1.00 0.00 N ATOM 390 CA VAL A 39 2.838 8.720 -11.476 1.00 0.00 C ATOM 391 C VAL A 39 3.790 8.114 -12.509 1.00 0.00 C ATOM 392 O VAL A 39 5.000 8.068 -12.293 1.00 0.00 O ATOM 393 CB VAL A 39 2.830 10.250 -11.497 1.00 0.00 C ATOM 394 CG1 VAL A 39 2.602 10.778 -12.914 1.00 0.00 C ATOM 395 CG2 VAL A 39 1.783 10.806 -10.529 1.00 0.00 C ATOM 0 H VAL A 39 4.148 8.479 -9.858 1.00 0.00 H new ATOM 0 HA VAL A 39 1.829 8.399 -11.735 1.00 0.00 H new ATOM 0 HB VAL A 39 3.809 10.595 -11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.601 11.868 -12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.400 10.424 -13.567 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.643 10.419 -13.286 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.798 11.895 -10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.795 10.447 -10.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.010 10.472 -9.517 1.00 0.00 H new ATOM 405 N ILE A 40 3.207 7.663 -13.611 1.00 0.00 N ATOM 406 CA ILE A 40 3.988 7.061 -14.678 1.00 0.00 C ATOM 407 C ILE A 40 3.677 7.774 -15.996 1.00 0.00 C ATOM 408 O ILE A 40 2.518 7.869 -16.396 1.00 0.00 O ATOM 409 CB ILE A 40 3.755 5.550 -14.726 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.272 4.957 -16.039 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.281 5.215 -14.487 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.324 5.278 -17.196 1.00 0.00 C ATOM 0 H ILE A 40 2.203 7.703 -13.787 1.00 0.00 H new ATOM 0 HA ILE A 40 5.054 7.189 -14.489 1.00 0.00 H new ATOM 0 HB ILE A 40 4.325 5.090 -13.919 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.264 5.354 -16.256 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.376 3.877 -15.938 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.142 4.135 -14.526 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.978 5.584 -13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.671 5.687 -15.257 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.714 4.845 -18.117 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.340 4.859 -16.987 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.241 6.359 -17.309 1.00 0.00 H new ATOM 424 N LEU A 41 4.733 8.257 -16.634 1.00 0.00 N ATOM 425 CA LEU A 41 4.587 8.958 -17.898 1.00 0.00 C ATOM 426 C LEU A 41 5.132 8.083 -19.028 1.00 0.00 C ATOM 427 O LEU A 41 6.123 7.376 -18.848 1.00 0.00 O ATOM 428 CB LEU A 41 5.239 10.341 -17.822 1.00 0.00 C ATOM 429 CG LEU A 41 5.211 11.021 -16.452 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.261 12.131 -16.370 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.807 11.535 -16.124 1.00 0.00 C ATOM 0 H LEU A 41 5.693 8.177 -16.299 1.00 0.00 H new ATOM 0 HA LEU A 41 3.534 9.138 -18.114 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.278 10.249 -18.139 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.744 10.994 -18.540 1.00 0.00 H new ATOM 0 HG LEU A 41 5.467 10.278 -15.696 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.220 12.598 -15.386 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.252 11.707 -16.529 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.059 12.880 -17.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.814 12.014 -15.145 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.498 12.258 -16.879 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.107 10.700 -16.114 1.00 0.00 H new ATOM 443 N ASP A 42 4.461 8.158 -20.168 1.00 0.00 N ATOM 444 CA ASP A 42 4.866 7.380 -21.327 1.00 0.00 C ATOM 445 C ASP A 42 5.491 8.312 -22.367 1.00 0.00 C ATOM 446 O ASP A 42 4.863 9.278 -22.798 1.00 0.00 O ATOM 447 CB ASP A 42 3.664 6.689 -21.973 1.00 0.00 C ATOM 448 CG ASP A 42 3.947 6.028 -23.324 1.00 0.00 C ATOM 449 OD1 ASP A 42 4.659 6.587 -24.171 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.395 4.875 -23.493 1.00 0.00 O ATOM 0 H ASP A 42 3.640 8.745 -20.314 1.00 0.00 H new ATOM 0 HA ASP A 42 5.580 6.626 -20.995 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.288 5.931 -21.286 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.869 7.423 -22.104 1.00 0.00 H new ATOM 456 N SER A 43 6.720 7.989 -22.741 1.00 0.00 N ATOM 457 CA SER A 43 7.437 8.785 -23.723 1.00 0.00 C ATOM 458 C SER A 43 7.287 8.162 -25.112 1.00 0.00 C ATOM 459 O SER A 43 7.238 8.874 -26.114 1.00 0.00 O ATOM 460 CB SER A 43 8.917 8.911 -23.355 1.00 0.00 C ATOM 461 OG SER A 43 9.576 9.909 -24.129 1.00 0.00 O ATOM 0 H SER A 43 7.238 7.187 -22.382 1.00 0.00 H new ATOM 0 HA SER A 43 7.006 9.786 -23.732 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.008 9.154 -22.296 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.411 7.951 -23.505 1.00 0.00 H new ATOM 0 HG SER A 43 10.518 9.960 -23.863 1.00 0.00 H new ATOM 467 N GLY A 44 7.218 6.839 -25.128 1.00 0.00 N ATOM 468 CA GLY A 44 7.074 6.112 -26.378 1.00 0.00 C ATOM 469 C GLY A 44 8.407 5.500 -26.813 1.00 0.00 C ATOM 470 O GLY A 44 8.660 5.336 -28.005 1.00 0.00 O ATOM 0 H GLY A 44 7.259 6.251 -24.295 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.329 5.325 -26.261 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.708 6.784 -27.154 1.00 0.00 H new ATOM 474 N ASN A 45 9.225 5.177 -25.821 1.00 0.00 N ATOM 475 CA ASN A 45 10.526 4.586 -26.086 1.00 0.00 C ATOM 476 C ASN A 45 10.363 3.080 -26.298 1.00 0.00 C ATOM 477 O ASN A 45 9.263 2.546 -26.164 1.00 0.00 O ATOM 478 CB ASN A 45 11.477 4.798 -24.907 1.00 0.00 C ATOM 479 CG ASN A 45 12.263 6.101 -25.063 1.00 0.00 C ATOM 480 OD1 ASN A 45 11.779 7.088 -25.592 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.499 6.050 -24.575 1.00 0.00 N ATOM 0 H ASN A 45 9.012 5.313 -24.833 1.00 0.00 H new ATOM 0 HA ASN A 45 10.940 5.065 -26.973 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.909 4.821 -23.977 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.168 3.958 -24.838 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.104 6.869 -24.631 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.842 5.191 -24.144 1.00 0.00 H new ATOM 488 N ASP A 46 11.474 2.437 -26.626 1.00 0.00 N ATOM 489 CA ASP A 46 11.468 1.003 -26.858 1.00 0.00 C ATOM 490 C ASP A 46 10.784 0.303 -25.682 1.00 0.00 C ATOM 491 O ASP A 46 11.377 0.152 -24.615 1.00 0.00 O ATOM 492 CB ASP A 46 12.893 0.457 -26.968 1.00 0.00 C ATOM 493 CG ASP A 46 13.812 1.233 -27.914 1.00 0.00 C ATOM 494 OD1 ASP A 46 15.045 1.187 -27.788 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.205 1.918 -28.824 1.00 0.00 O ATOM 0 H ASP A 46 12.385 2.883 -26.737 1.00 0.00 H new ATOM 0 HA ASP A 46 10.936 0.815 -27.791 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.341 0.451 -25.974 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.844 -0.579 -27.302 1.00 0.00 H new ATOM 501 N ALA A 47 9.546 -0.105 -25.917 1.00 0.00 N ATOM 502 CA ALA A 47 8.775 -0.785 -24.890 1.00 0.00 C ATOM 503 C ALA A 47 9.259 -2.231 -24.768 1.00 0.00 C ATOM 504 O ALA A 47 9.171 -2.831 -23.698 1.00 0.00 O ATOM 505 CB ALA A 47 7.285 -0.696 -25.228 1.00 0.00 C ATOM 0 H ALA A 47 9.057 0.022 -26.803 1.00 0.00 H new ATOM 0 HA ALA A 47 8.920 -0.306 -23.922 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.706 -1.206 -24.458 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.984 0.351 -25.275 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.102 -1.169 -26.193 1.00 0.00 H new ATOM 511 N SER A 48 9.761 -2.750 -25.879 1.00 0.00 N ATOM 512 CA SER A 48 10.260 -4.114 -25.910 1.00 0.00 C ATOM 513 C SER A 48 11.312 -4.311 -24.817 1.00 0.00 C ATOM 514 O SER A 48 11.304 -5.322 -24.117 1.00 0.00 O ATOM 515 CB SER A 48 10.847 -4.455 -27.281 1.00 0.00 C ATOM 516 OG SER A 48 12.220 -4.084 -27.381 1.00 0.00 O ATOM 0 H SER A 48 9.833 -2.250 -26.765 1.00 0.00 H new ATOM 0 HA SER A 48 9.424 -4.789 -25.726 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.746 -5.525 -27.463 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.276 -3.945 -28.057 1.00 0.00 H new ATOM 0 HG SER A 48 12.559 -4.320 -28.270 1.00 0.00 H new ATOM 522 N SER A 49 12.194 -3.328 -24.706 1.00 0.00 N ATOM 523 CA SER A 49 13.251 -3.381 -23.710 1.00 0.00 C ATOM 524 C SER A 49 12.646 -3.405 -22.305 1.00 0.00 C ATOM 525 O SER A 49 12.999 -4.253 -21.488 1.00 0.00 O ATOM 526 CB SER A 49 14.206 -2.194 -23.857 1.00 0.00 C ATOM 527 OG SER A 49 15.514 -2.499 -23.381 1.00 0.00 O ATOM 0 H SER A 49 12.198 -2.491 -25.289 1.00 0.00 H new ATOM 0 HA SER A 49 13.824 -4.295 -23.867 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.261 -1.901 -24.905 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.810 -1.340 -23.307 1.00 0.00 H new ATOM 0 HG SER A 49 16.094 -1.717 -23.494 1.00 0.00 H new ATOM 533 N ALA A 50 11.745 -2.463 -22.068 1.00 0.00 N ATOM 534 CA ALA A 50 11.087 -2.365 -20.776 1.00 0.00 C ATOM 535 C ALA A 50 10.435 -3.707 -20.437 1.00 0.00 C ATOM 536 O ALA A 50 10.535 -4.183 -19.307 1.00 0.00 O ATOM 537 CB ALA A 50 10.078 -1.216 -20.802 1.00 0.00 C ATOM 0 H ALA A 50 11.455 -1.761 -22.749 1.00 0.00 H new ATOM 0 HA ALA A 50 11.812 -2.144 -19.992 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.585 -1.143 -19.833 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.596 -0.281 -21.017 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.333 -1.404 -21.575 1.00 0.00 H new ATOM 543 N TYR A 51 9.781 -4.280 -21.437 1.00 0.00 N ATOM 544 CA TYR A 51 9.112 -5.558 -21.260 1.00 0.00 C ATOM 545 C TYR A 51 10.099 -6.634 -20.803 1.00 0.00 C ATOM 546 O TYR A 51 9.820 -7.378 -19.864 1.00 0.00 O ATOM 547 CB TYR A 51 8.560 -5.939 -22.635 1.00 0.00 C ATOM 548 CG TYR A 51 7.576 -4.921 -23.215 1.00 0.00 C ATOM 549 CD1 TYR A 51 7.184 -3.834 -22.461 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.081 -5.090 -24.492 1.00 0.00 C ATOM 551 CE1 TYR A 51 6.257 -2.876 -23.006 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.155 -4.132 -25.038 1.00 0.00 C ATOM 553 CZ TYR A 51 5.789 -3.072 -24.268 1.00 0.00 C ATOM 554 OH TYR A 51 4.914 -2.168 -24.783 1.00 0.00 O ATOM 0 H TYR A 51 9.700 -3.883 -22.373 1.00 0.00 H new ATOM 0 HA TYR A 51 8.331 -5.481 -20.503 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.392 -6.060 -23.328 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.064 -6.907 -22.560 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.572 -3.702 -21.462 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.388 -5.941 -25.082 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.941 -2.022 -22.426 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.760 -4.252 -26.036 1.00 0.00 H new ATOM 0 HH TYR A 51 4.665 -2.435 -25.693 1.00 0.00 H new ATOM 564 N LYS A 52 11.231 -6.683 -21.489 1.00 0.00 N ATOM 565 CA LYS A 52 12.261 -7.656 -21.165 1.00 0.00 C ATOM 566 C LYS A 52 12.715 -7.449 -19.719 1.00 0.00 C ATOM 567 O LYS A 52 12.779 -8.401 -18.942 1.00 0.00 O ATOM 568 CB LYS A 52 13.400 -7.590 -22.184 1.00 0.00 C ATOM 569 CG LYS A 52 14.121 -8.935 -22.289 1.00 0.00 C ATOM 570 CD LYS A 52 13.387 -9.878 -23.244 1.00 0.00 C ATOM 571 CE LYS A 52 14.197 -11.153 -23.487 1.00 0.00 C ATOM 572 NZ LYS A 52 15.461 -10.837 -24.189 1.00 0.00 N ATOM 0 H LYS A 52 11.458 -6.065 -22.268 1.00 0.00 H new ATOM 0 HA LYS A 52 11.864 -8.669 -21.232 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.004 -7.309 -23.160 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.109 -6.815 -21.892 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.141 -8.778 -22.640 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.190 -9.393 -21.302 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.413 -10.136 -22.829 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.206 -9.372 -24.192 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.414 -11.640 -22.536 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.611 -11.856 -24.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.831 -11.697 -24.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.284 -10.113 -24.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.158 -10.479 -23.505 1.00 0.00 H new ATOM 586 N LEU A 53 13.020 -6.199 -19.401 1.00 0.00 N ATOM 587 CA LEU A 53 13.467 -5.855 -18.062 1.00 0.00 C ATOM 588 C LEU A 53 12.356 -6.177 -17.060 1.00 0.00 C ATOM 589 O LEU A 53 12.632 -6.550 -15.921 1.00 0.00 O ATOM 590 CB LEU A 53 13.938 -4.401 -18.012 1.00 0.00 C ATOM 591 CG LEU A 53 14.876 -3.960 -19.138 1.00 0.00 C ATOM 592 CD1 LEU A 53 14.519 -2.556 -19.631 1.00 0.00 C ATOM 593 CD2 LEU A 53 16.339 -4.060 -18.702 1.00 0.00 C ATOM 0 H LEU A 53 12.966 -5.412 -20.048 1.00 0.00 H new ATOM 0 HA LEU A 53 14.333 -6.456 -17.783 1.00 0.00 H new ATOM 0 HB2 LEU A 53 13.060 -3.755 -18.024 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.443 -4.236 -17.060 1.00 0.00 H new ATOM 0 HG LEU A 53 14.743 -4.640 -19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.201 -2.267 -20.431 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.496 -2.552 -20.007 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.606 -1.848 -18.807 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.985 -3.741 -19.520 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.505 -3.418 -17.837 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.570 -5.092 -18.438 1.00 0.00 H new ATOM 605 N GLY A 54 11.124 -6.021 -17.521 1.00 0.00 N ATOM 606 CA GLY A 54 9.970 -6.290 -16.680 1.00 0.00 C ATOM 607 C GLY A 54 9.851 -7.785 -16.375 1.00 0.00 C ATOM 608 O GLY A 54 9.630 -8.172 -15.228 1.00 0.00 O ATOM 0 H GLY A 54 10.900 -5.712 -18.467 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.056 -5.731 -15.748 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.064 -5.943 -17.177 1.00 0.00 H new ATOM 612 N THR A 55 10.002 -8.584 -17.421 1.00 0.00 N ATOM 613 CA THR A 55 9.914 -10.027 -17.279 1.00 0.00 C ATOM 614 C THR A 55 11.038 -10.544 -16.379 1.00 0.00 C ATOM 615 O THR A 55 10.851 -11.507 -15.637 1.00 0.00 O ATOM 616 CB THR A 55 9.927 -10.641 -18.680 1.00 0.00 C ATOM 617 OG1 THR A 55 10.628 -9.686 -19.472 1.00 0.00 O ATOM 618 CG2 THR A 55 8.533 -10.694 -19.309 1.00 0.00 C ATOM 0 H THR A 55 10.185 -8.259 -18.370 1.00 0.00 H new ATOM 0 HA THR A 55 8.986 -10.320 -16.788 1.00 0.00 H new ATOM 0 HB THR A 55 10.342 -11.648 -18.631 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.985 -9.102 -19.925 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.599 -11.138 -20.302 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.875 -11.298 -18.684 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.131 -9.684 -19.389 1.00 0.00 H new ATOM 626 N TYR A 56 12.181 -9.881 -16.474 1.00 0.00 N ATOM 627 CA TYR A 56 13.335 -10.262 -15.678 1.00 0.00 C ATOM 628 C TYR A 56 13.086 -10.001 -14.191 1.00 0.00 C ATOM 629 O TYR A 56 13.280 -10.887 -13.360 1.00 0.00 O ATOM 630 CB TYR A 56 14.487 -9.374 -16.153 1.00 0.00 C ATOM 631 CG TYR A 56 15.258 -9.941 -17.347 1.00 0.00 C ATOM 632 CD1 TYR A 56 14.673 -10.892 -18.158 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.539 -9.500 -17.614 1.00 0.00 C ATOM 634 CE1 TYR A 56 15.398 -11.426 -19.281 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.264 -10.034 -18.738 1.00 0.00 C ATOM 636 CZ TYR A 56 16.658 -10.970 -19.516 1.00 0.00 C ATOM 637 OH TYR A 56 17.343 -11.474 -20.577 1.00 0.00 O ATOM 0 H TYR A 56 12.333 -9.082 -17.090 1.00 0.00 H new ATOM 0 HA TYR A 56 13.549 -11.324 -15.797 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.091 -8.395 -16.421 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.180 -9.222 -15.325 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.671 -11.236 -17.950 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.997 -8.755 -16.980 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.952 -12.172 -19.922 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.267 -9.698 -18.958 1.00 0.00 H new ATOM 0 HH TYR A 56 18.228 -11.056 -20.623 1.00 0.00 H new ATOM 647 N LEU A 57 12.660 -8.780 -13.901 1.00 0.00 N ATOM 648 CA LEU A 57 12.382 -8.391 -12.529 1.00 0.00 C ATOM 649 C LEU A 57 11.219 -9.227 -11.992 1.00 0.00 C ATOM 650 O LEU A 57 11.308 -9.796 -10.905 1.00 0.00 O ATOM 651 CB LEU A 57 12.149 -6.882 -12.437 1.00 0.00 C ATOM 652 CG LEU A 57 11.945 -6.319 -11.028 1.00 0.00 C ATOM 653 CD1 LEU A 57 12.500 -4.898 -10.920 1.00 0.00 C ATOM 654 CD2 LEU A 57 10.473 -6.392 -10.617 1.00 0.00 C ATOM 0 H LEU A 57 12.501 -8.048 -14.593 1.00 0.00 H new ATOM 0 HA LEU A 57 13.243 -8.597 -11.893 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.001 -6.375 -12.890 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.274 -6.632 -13.037 1.00 0.00 H new ATOM 0 HG LEU A 57 12.506 -6.938 -10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.342 -4.522 -9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.567 -4.906 -11.142 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.987 -4.252 -11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.355 -5.986 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.871 -5.811 -11.316 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.143 -7.431 -10.630 1.00 0.00 H new ATOM 666 N TYR A 58 10.154 -9.276 -12.779 1.00 0.00 N ATOM 667 CA TYR A 58 8.974 -10.033 -12.396 1.00 0.00 C ATOM 668 C TYR A 58 9.295 -11.524 -12.277 1.00 0.00 C ATOM 669 O TYR A 58 8.668 -12.237 -11.495 1.00 0.00 O ATOM 670 CB TYR A 58 7.959 -9.830 -13.522 1.00 0.00 C ATOM 671 CG TYR A 58 7.191 -8.509 -13.437 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.647 -8.103 -12.235 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.043 -7.723 -14.562 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.925 -6.860 -12.155 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.321 -6.480 -14.482 1.00 0.00 C ATOM 676 CZ TYR A 58 5.797 -6.110 -13.283 1.00 0.00 C ATOM 677 OH TYR A 58 5.115 -4.936 -13.207 1.00 0.00 O ATOM 0 H TYR A 58 10.084 -8.804 -13.680 1.00 0.00 H new ATOM 0 HA TYR A 58 8.599 -9.696 -11.430 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.479 -9.875 -14.479 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.246 -10.654 -13.508 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.763 -8.718 -11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.469 -8.040 -15.502 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.495 -6.530 -11.221 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.198 -5.856 -15.355 1.00 0.00 H new ATOM 0 HH TYR A 58 5.104 -4.506 -14.088 1.00 0.00 H new ATOM 687 N GLN A 59 10.270 -11.952 -13.066 1.00 0.00 N ATOM 688 CA GLN A 59 10.681 -13.346 -13.059 1.00 0.00 C ATOM 689 C GLN A 59 12.191 -13.452 -12.839 1.00 0.00 C ATOM 690 O GLN A 59 12.972 -13.282 -13.774 1.00 0.00 O ATOM 691 CB GLN A 59 10.265 -14.046 -14.354 1.00 0.00 C ATOM 692 CG GLN A 59 8.828 -13.685 -14.736 1.00 0.00 C ATOM 693 CD GLN A 59 7.844 -14.131 -13.652 1.00 0.00 C ATOM 694 OE1 GLN A 59 8.092 -15.055 -12.895 1.00 0.00 O ATOM 695 NE2 GLN A 59 6.717 -13.425 -13.620 1.00 0.00 N ATOM 0 H GLN A 59 10.787 -11.358 -13.714 1.00 0.00 H new ATOM 0 HA GLN A 59 10.177 -13.850 -12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.942 -13.760 -15.159 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.352 -15.126 -14.232 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.747 -12.608 -14.885 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.570 -14.158 -15.683 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.573 -12.664 -14.283 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.997 -13.645 -12.932 1.00 0.00 H new ATOM 856 N LEU A 70 3.678 -14.138 -18.469 1.00 0.00 N ATOM 857 CA LEU A 70 4.344 -12.922 -18.903 1.00 0.00 C ATOM 858 C LEU A 70 3.295 -11.847 -19.195 1.00 0.00 C ATOM 859 O LEU A 70 3.529 -10.664 -18.950 1.00 0.00 O ATOM 860 CB LEU A 70 5.273 -13.212 -20.085 1.00 0.00 C ATOM 861 CG LEU A 70 5.453 -12.073 -21.091 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.813 -10.766 -20.381 1.00 0.00 C ATOM 863 CD2 LEU A 70 6.481 -12.446 -22.161 1.00 0.00 C ATOM 0 HA LEU A 70 4.985 -12.536 -18.111 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.253 -13.483 -19.693 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.891 -14.083 -20.617 1.00 0.00 H new ATOM 0 HG LEU A 70 4.502 -11.912 -21.599 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.935 -9.973 -21.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.016 -10.497 -19.688 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.745 -10.896 -19.830 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.591 -11.620 -22.864 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.441 -12.650 -21.688 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.144 -13.334 -22.695 1.00 0.00 H new ATOM 875 N THR A 71 2.162 -12.296 -19.714 1.00 0.00 N ATOM 876 CA THR A 71 1.077 -11.388 -20.041 1.00 0.00 C ATOM 877 C THR A 71 0.739 -10.505 -18.838 1.00 0.00 C ATOM 878 O THR A 71 0.330 -9.356 -19.002 1.00 0.00 O ATOM 879 CB THR A 71 -0.107 -12.223 -20.533 1.00 0.00 C ATOM 880 OG1 THR A 71 0.185 -12.463 -21.907 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.413 -11.427 -20.564 1.00 0.00 C ATOM 0 H THR A 71 1.972 -13.278 -19.916 1.00 0.00 H new ATOM 0 HA THR A 71 1.363 -10.702 -20.838 1.00 0.00 H new ATOM 0 HB THR A 71 -0.228 -13.094 -19.890 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.532 -13.000 -22.305 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.221 -12.067 -20.920 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.647 -11.073 -19.560 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.303 -10.574 -21.234 1.00 0.00 H new ATOM 889 N GLU A 72 0.922 -11.075 -17.656 1.00 0.00 N ATOM 890 CA GLU A 72 0.642 -10.354 -16.426 1.00 0.00 C ATOM 891 C GLU A 72 1.515 -9.101 -16.334 1.00 0.00 C ATOM 892 O GLU A 72 1.012 -8.006 -16.091 1.00 0.00 O ATOM 893 CB GLU A 72 0.844 -11.254 -15.205 1.00 0.00 C ATOM 894 CG GLU A 72 -0.025 -10.793 -14.034 1.00 0.00 C ATOM 895 CD GLU A 72 -1.500 -11.115 -14.286 1.00 0.00 C ATOM 896 OE1 GLU A 72 -2.372 -10.274 -14.023 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.726 -12.288 -14.773 1.00 0.00 O ATOM 0 H GLU A 72 1.261 -12.028 -17.524 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.403 -10.044 -16.439 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.596 -12.284 -15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.893 -11.243 -14.910 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.306 -11.280 -13.117 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.097 -9.720 -13.886 1.00 0.00 H new ATOM 905 N ALA A 73 2.809 -9.305 -16.535 1.00 0.00 N ATOM 906 CA ALA A 73 3.757 -8.205 -16.478 1.00 0.00 C ATOM 907 C ALA A 73 3.503 -7.257 -17.651 1.00 0.00 C ATOM 908 O ALA A 73 3.362 -6.050 -17.460 1.00 0.00 O ATOM 909 CB ALA A 73 5.183 -8.759 -16.474 1.00 0.00 C ATOM 0 H ALA A 73 3.223 -10.215 -16.737 1.00 0.00 H new ATOM 0 HA ALA A 73 3.627 -7.634 -15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.894 -7.934 -16.431 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.321 -9.402 -15.605 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.352 -9.336 -17.383 1.00 0.00 H new ATOM 915 N ARG A 74 3.452 -7.839 -18.840 1.00 0.00 N ATOM 916 CA ARG A 74 3.217 -7.061 -20.045 1.00 0.00 C ATOM 917 C ARG A 74 1.893 -6.302 -19.938 1.00 0.00 C ATOM 918 O ARG A 74 1.738 -5.231 -20.522 1.00 0.00 O ATOM 919 CB ARG A 74 3.183 -7.960 -21.283 1.00 0.00 C ATOM 920 CG ARG A 74 2.928 -7.139 -22.549 1.00 0.00 C ATOM 921 CD ARG A 74 2.461 -8.035 -23.698 1.00 0.00 C ATOM 922 NE ARG A 74 3.383 -9.183 -23.852 1.00 0.00 N ATOM 923 CZ ARG A 74 3.255 -10.129 -24.792 1.00 0.00 C ATOM 924 NH1 ARG A 74 2.242 -10.070 -25.668 1.00 0.00 N ATOM 925 NH2 ARG A 74 4.139 -11.133 -24.857 1.00 0.00 N ATOM 0 H ARG A 74 3.569 -8.840 -18.995 1.00 0.00 H new ATOM 0 HA ARG A 74 4.039 -6.352 -20.147 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.129 -8.494 -21.376 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.402 -8.712 -21.169 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.175 -6.378 -22.347 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.840 -6.617 -22.838 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.450 -8.393 -23.503 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.423 -7.462 -24.624 1.00 0.00 H new ATOM 0 HE ARG A 74 4.165 -9.258 -23.201 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.569 -9.305 -25.619 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.144 -10.790 -26.384 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.910 -11.178 -24.191 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.041 -11.853 -25.573 1.00 0.00 H new ATOM 939 N ASP A 75 0.972 -6.887 -19.186 1.00 0.00 N ATOM 940 CA ASP A 75 -0.334 -6.280 -18.995 1.00 0.00 C ATOM 941 C ASP A 75 -0.211 -5.116 -18.010 1.00 0.00 C ATOM 942 O ASP A 75 -0.857 -4.083 -18.180 1.00 0.00 O ATOM 943 CB ASP A 75 -1.330 -7.286 -18.415 1.00 0.00 C ATOM 944 CG ASP A 75 -2.062 -8.142 -19.451 1.00 0.00 C ATOM 945 OD1 ASP A 75 -2.814 -9.064 -19.101 1.00 0.00 O ATOM 946 OD2 ASP A 75 -1.830 -7.827 -20.680 1.00 0.00 O ATOM 0 H ASP A 75 1.105 -7.775 -18.702 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.692 -5.937 -19.966 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.799 -7.947 -17.730 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.070 -6.744 -17.826 1.00 0.00 H new ATOM 952 N ALA A 76 0.624 -5.321 -17.001 1.00 0.00 N ATOM 953 CA ALA A 76 0.841 -4.302 -15.989 1.00 0.00 C ATOM 954 C ALA A 76 1.381 -3.035 -16.655 1.00 0.00 C ATOM 955 O ALA A 76 0.847 -1.946 -16.450 1.00 0.00 O ATOM 956 CB ALA A 76 1.784 -4.843 -14.913 1.00 0.00 C ATOM 0 H ALA A 76 1.158 -6.179 -16.863 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.097 -4.042 -15.499 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.947 -4.078 -14.154 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.341 -5.725 -14.451 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.738 -5.112 -15.367 1.00 0.00 H new ATOM 962 N ILE A 77 2.433 -3.219 -17.439 1.00 0.00 N ATOM 963 CA ILE A 77 3.051 -2.105 -18.137 1.00 0.00 C ATOM 964 C ILE A 77 2.113 -1.617 -19.243 1.00 0.00 C ATOM 965 O ILE A 77 1.795 -0.431 -19.314 1.00 0.00 O ATOM 966 CB ILE A 77 4.444 -2.492 -18.638 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.361 -3.612 -19.677 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.364 -2.859 -17.471 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.720 -4.290 -19.863 1.00 0.00 C ATOM 0 H ILE A 77 2.873 -4.124 -17.606 1.00 0.00 H new ATOM 0 HA ILE A 77 3.204 -1.268 -17.456 1.00 0.00 H new ATOM 0 HB ILE A 77 4.882 -1.625 -19.133 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.623 -4.350 -19.363 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.020 -3.205 -20.629 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.348 -3.130 -17.854 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.459 -2.005 -16.800 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.942 -3.703 -16.926 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.633 -5.082 -20.607 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.450 -3.555 -20.200 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.046 -4.717 -18.915 1.00 0.00 H new ATOM 981 N LYS A 78 1.697 -2.557 -20.079 1.00 0.00 N ATOM 982 CA LYS A 78 0.802 -2.239 -21.178 1.00 0.00 C ATOM 983 C LYS A 78 -0.390 -1.441 -20.645 1.00 0.00 C ATOM 984 O LYS A 78 -0.908 -0.561 -21.330 1.00 0.00 O ATOM 985 CB LYS A 78 0.404 -3.510 -21.931 1.00 0.00 C ATOM 986 CG LYS A 78 -0.526 -3.185 -23.102 1.00 0.00 C ATOM 987 CD LYS A 78 0.275 -2.860 -24.364 1.00 0.00 C ATOM 988 CE LYS A 78 0.821 -1.432 -24.314 1.00 0.00 C ATOM 989 NZ LYS A 78 0.929 -0.870 -25.679 1.00 0.00 N ATOM 0 H LYS A 78 1.964 -3.540 -20.017 1.00 0.00 H new ATOM 0 HA LYS A 78 1.307 -1.608 -21.910 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.298 -4.013 -22.300 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.092 -4.201 -21.249 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.185 -4.032 -23.293 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.162 -2.338 -22.842 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.100 -3.565 -24.467 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.359 -2.980 -25.242 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.165 -0.807 -23.708 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.800 -1.427 -23.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.301 0.100 -25.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.573 -1.458 -26.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.011 -0.857 -26.124 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.789 -1.777 -19.427 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.910 -1.103 -18.795 1.00 0.00 C ATOM 1005 C ASP A 79 -1.457 0.270 -18.294 1.00 0.00 C ATOM 1006 O ASP A 79 -2.222 1.232 -18.335 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.424 -1.899 -17.593 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.482 -1.185 -16.750 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.316 -0.432 -17.275 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.428 -1.432 -15.485 1.00 0.00 O ATOM 0 H ASP A 79 -0.356 -2.507 -18.861 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.707 -1.009 -19.533 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.841 -2.840 -17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.578 -2.148 -16.952 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.216 0.316 -17.832 1.00 0.00 N ATOM 1017 CA ALA A 80 0.348 1.555 -17.324 1.00 0.00 C ATOM 1018 C ALA A 80 0.463 2.565 -18.468 1.00 0.00 C ATOM 1019 O ALA A 80 0.167 3.745 -18.291 1.00 0.00 O ATOM 1020 CB ALA A 80 1.696 1.268 -16.661 1.00 0.00 C ATOM 0 H ALA A 80 0.415 -0.485 -17.799 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.302 1.990 -16.565 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.119 2.197 -16.280 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.555 0.569 -15.837 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.376 0.833 -17.393 1.00 0.00 H new ATOM 1026 N TYR A 81 0.895 2.063 -19.616 1.00 0.00 N ATOM 1027 CA TYR A 81 1.054 2.906 -20.789 1.00 0.00 C ATOM 1028 C TYR A 81 -0.306 3.302 -21.368 1.00 0.00 C ATOM 1029 O TYR A 81 -0.515 4.457 -21.736 1.00 0.00 O ATOM 1030 CB TYR A 81 1.806 2.060 -21.818 1.00 0.00 C ATOM 1031 CG TYR A 81 3.308 1.944 -21.549 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.759 1.560 -20.303 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.212 2.224 -22.554 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.172 1.450 -20.050 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.626 2.115 -22.301 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.036 1.734 -21.062 1.00 0.00 C ATOM 1037 OH TYR A 81 7.371 1.630 -20.823 1.00 0.00 O ATOM 0 H TYR A 81 1.140 1.083 -19.759 1.00 0.00 H new ATOM 0 HA TYR A 81 1.585 3.823 -20.533 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.372 1.060 -21.838 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.657 2.492 -22.808 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.051 1.342 -19.517 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.859 2.525 -23.530 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.538 1.149 -19.079 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.344 2.331 -23.078 1.00 0.00 H new ATOM 0 HH TYR A 81 7.586 0.711 -20.560 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.195 2.321 -21.429 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.529 2.553 -21.957 1.00 0.00 C ATOM 1049 C GLU A 82 -3.371 3.336 -20.948 1.00 0.00 C ATOM 1050 O GLU A 82 -4.330 4.008 -21.323 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.207 1.233 -22.330 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.664 1.462 -22.738 1.00 0.00 C ATOM 1053 CD GLU A 82 -5.376 0.132 -22.995 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -4.979 -0.620 -23.897 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -6.376 -0.109 -22.217 1.00 0.00 O ATOM 0 H GLU A 82 -1.018 1.365 -21.122 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.441 3.148 -22.866 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.666 0.761 -23.150 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.166 0.547 -21.484 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.183 2.011 -21.953 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.701 2.078 -23.636 1.00 0.00 H new ATOM 1063 N SER A 83 -2.981 3.223 -19.686 1.00 0.00 N ATOM 1064 CA SER A 83 -3.688 3.912 -18.620 1.00 0.00 C ATOM 1065 C SER A 83 -3.328 5.399 -18.630 1.00 0.00 C ATOM 1066 O SER A 83 -4.208 6.255 -18.561 1.00 0.00 O ATOM 1067 CB SER A 83 -3.365 3.296 -17.257 1.00 0.00 C ATOM 1068 OG SER A 83 -3.850 4.095 -16.182 1.00 0.00 O ATOM 0 H SER A 83 -2.185 2.665 -19.378 1.00 0.00 H new ATOM 0 HA SER A 83 -4.759 3.803 -18.793 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.805 2.300 -17.196 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.286 3.175 -17.160 1.00 0.00 H new ATOM 0 HG SER A 83 -3.625 3.667 -15.329 1.00 0.00 H new ATOM 1074 N TYR A 84 -2.032 5.661 -18.715 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.544 7.030 -18.735 1.00 0.00 C ATOM 1076 C TYR A 84 -1.211 7.473 -20.161 1.00 0.00 C ATOM 1077 O TYR A 84 -0.653 8.550 -20.365 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.262 7.032 -17.900 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.499 6.894 -16.395 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.840 8.001 -15.645 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.372 5.661 -15.787 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -1.063 7.870 -14.228 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.595 5.530 -14.370 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.930 6.641 -13.661 1.00 0.00 C ATOM 1085 OH TYR A 84 -1.140 6.518 -12.323 1.00 0.00 O ATOM 0 H TYR A 84 -1.304 4.948 -18.771 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.299 7.713 -18.344 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.378 6.215 -18.233 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.281 7.958 -18.088 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.940 8.966 -16.120 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.105 4.795 -16.374 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.330 8.728 -13.629 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.498 4.571 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.011 5.584 -12.056 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.568 6.620 -21.110 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.314 6.911 -22.511 1.00 0.00 C ATOM 1097 C CYS A 85 -1.867 8.303 -22.820 1.00 0.00 C ATOM 1098 O CYS A 85 -2.973 8.643 -22.403 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.913 5.842 -23.428 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.643 6.628 -24.911 1.00 0.00 S ATOM 0 H CYS A 85 -2.031 5.728 -20.936 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.240 6.898 -22.699 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.141 5.132 -23.725 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.676 5.278 -22.892 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.147 5.712 -25.684 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.071 9.072 -23.549 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.467 10.420 -23.920 1.00 0.00 C ATOM 1108 C GLY A 86 -0.753 11.459 -23.053 1.00 0.00 C ATOM 1109 O GLY A 86 -0.961 12.660 -23.218 1.00 0.00 O ATOM 0 H GLY A 86 -0.154 8.787 -23.893 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.234 10.595 -24.970 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.546 10.529 -23.810 1.00 0.00 H new ATOM 1113 N ILE A 87 0.075 10.959 -22.147 1.00 0.00 N ATOM 1114 CA ILE A 87 0.821 11.828 -21.253 1.00 0.00 C ATOM 1115 C ILE A 87 2.310 11.488 -21.343 1.00 0.00 C ATOM 1116 O ILE A 87 2.719 10.381 -20.998 1.00 0.00 O ATOM 1117 CB ILE A 87 0.256 11.749 -19.833 1.00 0.00 C ATOM 1118 CG1 ILE A 87 0.952 10.650 -19.028 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.263 11.569 -19.857 1.00 0.00 C ATOM 1120 CD1 ILE A 87 0.178 10.337 -17.745 1.00 0.00 C ATOM 0 H ILE A 87 0.246 9.962 -22.013 1.00 0.00 H new ATOM 0 HA ILE A 87 0.713 12.869 -21.556 1.00 0.00 H new ATOM 0 HB ILE A 87 0.459 12.694 -19.330 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.037 9.748 -19.635 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.966 10.963 -18.778 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.639 11.516 -18.835 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.722 12.415 -20.369 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.512 10.648 -20.384 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.694 9.553 -17.191 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.115 11.235 -17.130 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.827 10.001 -17.999 1.00 0.00 H new ATOM 1132 N ASP A 88 3.079 12.462 -21.808 1.00 0.00 N ATOM 1133 CA ASP A 88 4.514 12.279 -21.947 1.00 0.00 C ATOM 1134 C ASP A 88 5.237 13.142 -20.910 1.00 0.00 C ATOM 1135 O ASP A 88 6.464 13.131 -20.835 1.00 0.00 O ATOM 1136 CB ASP A 88 4.992 12.709 -23.335 1.00 0.00 C ATOM 1137 CG ASP A 88 4.332 11.972 -24.503 1.00 0.00 C ATOM 1138 OD1 ASP A 88 5.005 11.288 -25.288 1.00 0.00 O ATOM 1139 OD2 ASP A 88 3.054 12.124 -24.591 1.00 0.00 O ATOM 0 H ASP A 88 2.736 13.379 -22.093 1.00 0.00 H new ATOM 0 HA ASP A 88 4.735 11.222 -21.801 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.811 13.778 -23.450 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.070 12.560 -23.394 1.00 0.00 H new ATOM 1145 N ASP A 89 4.444 13.870 -20.137 1.00 0.00 N ATOM 1146 CA ASP A 89 4.992 14.737 -19.108 1.00 0.00 C ATOM 1147 C ASP A 89 3.918 15.014 -18.055 1.00 0.00 C ATOM 1148 O ASP A 89 2.752 15.214 -18.390 1.00 0.00 O ATOM 1149 CB ASP A 89 5.435 16.078 -19.696 1.00 0.00 C ATOM 1150 CG ASP A 89 6.704 16.023 -20.549 1.00 0.00 C ATOM 1151 OD1 ASP A 89 6.671 16.281 -21.761 1.00 0.00 O ATOM 1152 OD2 ASP A 89 7.776 15.694 -19.910 1.00 0.00 O ATOM 0 H ASP A 89 3.426 13.877 -20.203 1.00 0.00 H new ATOM 0 HA ASP A 89 5.853 14.234 -18.667 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.623 16.477 -20.305 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.595 16.781 -18.878 1.00 0.00 H new