USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 514 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 14 CYS SG : rot -118:sc= -7.26! USER MOD Set 1.2: A 23 CYS SG : rot -10:sc= -2.03! USER MOD Single : A 1 GLY N :NH3+ -160:sc= 0.00536 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0868 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -120:sc= 0 (180deg=-0.127) USER MOD Single : A 7 THR OG1 : rot -1:sc= 0.183 USER MOD Single : A 8 THR OG1 : rot 71:sc= 0.369 USER MOD Single : A 9 MET CE :methyl 136:sc= -0.0417 (180deg=-0.6) USER MOD Single : A 11 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.025) USER MOD Single : A 16 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-0.97) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -157:sc= -0.181 (180deg=-0.916) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 0.181 (180deg=-0.000242) USER MOD Single : A 26 CYS SG : rot 46:sc= -3.49! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.5! K(o=-2.5!,f=-0.91) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= 1.72 (180deg=0.357) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 115:sc= 1.16 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -140:sc= -0.0488 (180deg=-0.596) USER MOD Single : A 70 THR OG1 : rot 92:sc= 0.617 USER MOD Single : A 71 GLN : amide:sc= 0.721 X(o=0.72,f=0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.802 -9.122 0.039 1.00100.00 N ATOM 2 CA GLY A 1 -14.316 -8.647 -1.275 1.00100.00 C ATOM 3 C GLY A 1 -13.892 -9.823 -2.089 1.00100.00 C ATOM 4 O GLY A 1 -14.593 -10.835 -2.148 1.00100.00 O ATOM 0 H1 GLY A 1 -15.399 -8.390 0.474 1.00100.00 H new ATOM 0 H2 GLY A 1 -15.358 -9.991 -0.090 1.00100.00 H new ATOM 0 H3 GLY A 1 -13.990 -9.319 0.659 1.00100.00 H new ATOM 0 HA2 GLY A 1 -15.102 -8.096 -1.791 1.00100.00 H new ATOM 0 HA3 GLY A 1 -13.480 -7.960 -1.142 1.00100.00 H new ATOM 10 N SER A 2 -12.718 -9.688 -2.748 1.00100.00 N ATOM 11 CA SER A 2 -12.160 -10.735 -3.563 1.00100.00 C ATOM 12 C SER A 2 -11.479 -11.732 -2.656 1.00100.00 C ATOM 13 O SER A 2 -11.272 -11.471 -1.466 1.00100.00 O ATOM 14 CB SER A 2 -11.158 -10.211 -4.619 1.00100.00 C ATOM 15 OG SER A 2 -10.790 -11.248 -5.501 1.00100.00 O ATOM 0 H SER A 2 -12.149 -8.842 -2.715 1.00100.00 H new ATOM 0 HA SER A 2 -12.975 -11.200 -4.118 1.00100.00 H new ATOM 0 HB2 SER A 2 -11.605 -9.390 -5.179 1.00100.00 H new ATOM 0 HB3 SER A 2 -10.272 -9.814 -4.124 1.00100.00 H new ATOM 0 HG SER A 2 -10.157 -10.903 -6.165 1.00100.00 H new ATOM 21 N THR A 3 -11.131 -12.921 -3.211 1.00100.00 N ATOM 22 CA THR A 3 -10.478 -13.970 -2.468 1.00100.00 C ATOM 23 C THR A 3 -9.006 -13.628 -2.472 1.00100.00 C ATOM 24 O THR A 3 -8.182 -14.203 -3.189 1.00100.00 O ATOM 25 CB THR A 3 -10.746 -15.347 -3.043 1.00100.00 C ATOM 26 OG1 THR A 3 -12.138 -15.559 -3.114 1.00100.00 O ATOM 27 CG2 THR A 3 -10.125 -16.425 -2.156 1.00100.00 C ATOM 0 H THR A 3 -11.306 -13.156 -4.188 1.00100.00 H new ATOM 0 HA THR A 3 -10.868 -14.022 -1.452 1.00100.00 H new ATOM 0 HB THR A 3 -10.304 -15.404 -4.038 1.00100.00 H new ATOM 0 HG1 THR A 3 -12.315 -16.448 -3.487 1.00100.00 H new ATOM 0 HG21 THR A 3 -10.326 -17.408 -2.583 1.00100.00 H new ATOM 0 HG22 THR A 3 -9.048 -16.270 -2.095 1.00100.00 H new ATOM 0 HG23 THR A 3 -10.557 -16.368 -1.157 1.00100.00 H new ATOM 35 N ALA A 4 -8.688 -12.604 -1.663 1.00100.00 N ATOM 36 CA ALA A 4 -7.372 -12.076 -1.472 1.00100.00 C ATOM 37 C ALA A 4 -7.274 -11.741 -0.018 1.00100.00 C ATOM 38 O ALA A 4 -8.285 -11.547 0.668 1.00100.00 O ATOM 39 CB ALA A 4 -7.119 -10.784 -2.274 1.00100.00 C ATOM 0 H ALA A 4 -9.391 -12.115 -1.109 1.00100.00 H new ATOM 0 HA ALA A 4 -6.641 -12.810 -1.810 1.00100.00 H new ATOM 0 HB1 ALA A 4 -6.104 -10.433 -2.087 1.00100.00 H new ATOM 0 HB2 ALA A 4 -7.243 -10.986 -3.338 1.00100.00 H new ATOM 0 HB3 ALA A 4 -7.831 -10.018 -1.965 1.00100.00 H new ATOM 45 N MET A 5 -6.022 -11.669 0.482 1.00100.00 N ATOM 46 CA MET A 5 -5.759 -11.358 1.862 1.00100.00 C ATOM 47 C MET A 5 -6.234 -9.976 2.207 1.00100.00 C ATOM 48 O MET A 5 -6.280 -9.093 1.350 1.00100.00 O ATOM 49 CB MET A 5 -4.274 -11.510 2.268 1.00100.00 C ATOM 50 CG MET A 5 -3.443 -10.462 1.534 1.00100.00 C ATOM 51 SD MET A 5 -1.661 -10.558 1.829 1.00100.00 S ATOM 52 CE MET A 5 -1.300 -12.044 0.862 1.00100.00 C ATOM 0 H MET A 5 -5.183 -11.828 -0.075 1.00100.00 H new ATOM 0 HA MET A 5 -6.321 -12.098 2.432 1.00100.00 H new ATOM 0 HB2 MET A 5 -4.165 -11.388 3.346 1.00100.00 H new ATOM 0 HB3 MET A 5 -3.918 -12.511 2.023 1.00100.00 H new ATOM 0 HG2 MET A 5 -3.625 -10.560 0.464 1.00100.00 H new ATOM 0 HG3 MET A 5 -3.792 -9.472 1.828 1.00100.00 H new ATOM 0 HE1 MET A 5 -0.877 -12.809 1.514 1.00100.00 H new ATOM 0 HE2 MET A 5 -2.220 -12.418 0.413 1.00100.00 H new ATOM 0 HE3 MET A 5 -0.585 -11.802 0.076 1.00100.00 H new ATOM 62 N ALA A 6 -6.835 -9.872 3.412 1.00100.00 N ATOM 63 CA ALA A 6 -7.388 -8.668 3.978 1.00100.00 C ATOM 64 C ALA A 6 -8.472 -8.047 3.128 1.00100.00 C ATOM 65 O ALA A 6 -8.629 -6.824 3.094 1.00100.00 O ATOM 66 CB ALA A 6 -6.293 -7.627 4.328 1.00100.00 C ATOM 0 H ALA A 6 -6.942 -10.677 4.030 1.00100.00 H new ATOM 0 HA ALA A 6 -7.863 -8.982 4.908 1.00100.00 H new ATOM 0 HB1 ALA A 6 -6.759 -6.737 4.751 1.00100.00 H new ATOM 0 HB2 ALA A 6 -5.602 -8.056 5.054 1.00100.00 H new ATOM 0 HB3 ALA A 6 -5.747 -7.356 3.425 1.00100.00 H new ATOM 72 N THR A 7 -9.260 -8.917 2.439 1.00100.00 N ATOM 73 CA THR A 7 -10.369 -8.579 1.576 1.00100.00 C ATOM 74 C THR A 7 -10.042 -7.520 0.554 1.00100.00 C ATOM 75 O THR A 7 -10.764 -6.531 0.406 1.00100.00 O ATOM 76 CB THR A 7 -11.682 -8.312 2.299 1.00100.00 C ATOM 77 OG1 THR A 7 -11.543 -7.201 3.157 1.00100.00 O ATOM 78 CG2 THR A 7 -12.090 -9.539 3.113 1.00100.00 C ATOM 0 H THR A 7 -9.109 -9.924 2.491 1.00100.00 H new ATOM 0 HA THR A 7 -10.543 -9.497 1.014 1.00100.00 H new ATOM 0 HB THR A 7 -12.453 -8.100 1.559 1.00100.00 H new ATOM 0 HG1 THR A 7 -10.625 -6.862 3.107 1.00100.00 H new ATOM 0 HG21 THR A 7 -13.030 -9.339 3.627 1.00100.00 H new ATOM 0 HG22 THR A 7 -12.215 -10.392 2.447 1.00100.00 H new ATOM 0 HG23 THR A 7 -11.316 -9.762 3.847 1.00100.00 H new ATOM 86 N THR A 8 -8.906 -7.705 -0.158 1.00100.00 N ATOM 87 CA THR A 8 -8.476 -6.766 -1.166 1.00100.00 C ATOM 88 C THR A 8 -9.406 -6.885 -2.357 1.00100.00 C ATOM 89 O THR A 8 -9.726 -7.983 -2.813 1.00100.00 O ATOM 90 CB THR A 8 -7.031 -6.986 -1.579 1.00100.00 C ATOM 91 OG1 THR A 8 -6.214 -6.998 -0.436 1.00100.00 O ATOM 92 CG2 THR A 8 -6.531 -5.897 -2.522 1.00100.00 C ATOM 0 H THR A 8 -8.284 -8.504 -0.037 1.00100.00 H new ATOM 0 HA THR A 8 -8.522 -5.759 -0.752 1.00100.00 H new ATOM 0 HB THR A 8 -6.984 -7.941 -2.103 1.00100.00 H new ATOM 0 HG1 THR A 8 -6.378 -7.818 0.075 1.00100.00 H new ATOM 0 HG21 THR A 8 -5.493 -6.096 -2.790 1.00100.00 H new ATOM 0 HG22 THR A 8 -7.143 -5.887 -3.424 1.00100.00 H new ATOM 0 HG23 THR A 8 -6.598 -4.928 -2.027 1.00100.00 H new ATOM 100 N MET A 9 -9.877 -5.715 -2.849 1.00100.00 N ATOM 101 CA MET A 9 -10.767 -5.595 -3.983 1.00100.00 C ATOM 102 C MET A 9 -10.004 -5.422 -5.277 1.00100.00 C ATOM 103 O MET A 9 -10.602 -5.442 -6.355 1.00100.00 O ATOM 104 CB MET A 9 -11.716 -4.385 -3.858 1.00100.00 C ATOM 105 CG MET A 9 -12.926 -4.700 -2.981 1.00100.00 C ATOM 106 SD MET A 9 -12.574 -5.000 -1.233 1.00100.00 S ATOM 107 CE MET A 9 -11.981 -3.357 -0.760 1.00100.00 C ATOM 0 H MET A 9 -9.629 -4.813 -2.442 1.00100.00 H new ATOM 0 HA MET A 9 -11.341 -6.522 -3.993 1.00100.00 H new ATOM 0 HB2 MET A 9 -11.173 -3.539 -3.437 1.00100.00 H new ATOM 0 HB3 MET A 9 -12.054 -4.085 -4.850 1.00100.00 H new ATOM 0 HG2 MET A 9 -13.629 -3.870 -3.053 1.00100.00 H new ATOM 0 HG3 MET A 9 -13.427 -5.579 -3.387 1.00100.00 H new ATOM 0 HE1 MET A 9 -12.423 -3.071 0.194 1.00100.00 H new ATOM 0 HE2 MET A 9 -10.895 -3.375 -0.666 1.00100.00 H new ATOM 0 HE3 MET A 9 -12.267 -2.633 -1.523 1.00100.00 H new ATOM 117 N GLU A 10 -8.649 -5.404 -5.195 1.00100.00 N ATOM 118 CA GLU A 10 -7.703 -5.246 -6.272 1.00100.00 C ATOM 119 C GLU A 10 -7.885 -3.960 -7.039 1.00100.00 C ATOM 120 O GLU A 10 -7.691 -3.891 -8.255 1.00100.00 O ATOM 121 CB GLU A 10 -7.624 -6.492 -7.192 1.00100.00 C ATOM 122 CG GLU A 10 -7.329 -7.731 -6.347 1.00100.00 C ATOM 123 CD GLU A 10 -7.211 -8.988 -7.201 1.00100.00 C ATOM 124 OE1 GLU A 10 -7.883 -9.032 -8.254 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -6.455 -9.889 -6.777 1.00100.00 O ATOM 0 H GLU A 10 -8.178 -5.509 -4.296 1.00100.00 H new ATOM 0 HA GLU A 10 -6.727 -5.165 -5.794 1.00100.00 H new ATOM 0 HB2 GLU A 10 -8.563 -6.621 -7.730 1.00100.00 H new ATOM 0 HB3 GLU A 10 -6.844 -6.355 -7.941 1.00100.00 H new ATOM 0 HG2 GLU A 10 -6.402 -7.580 -5.793 1.00100.00 H new ATOM 0 HG3 GLU A 10 -8.122 -7.865 -5.611 1.00100.00 H new ATOM 132 N GLN A 11 -8.252 -2.890 -6.295 1.00100.00 N ATOM 133 CA GLN A 11 -8.444 -1.575 -6.842 1.00100.00 C ATOM 134 C GLN A 11 -7.530 -0.579 -6.160 1.00100.00 C ATOM 135 O GLN A 11 -7.823 0.618 -6.119 1.00100.00 O ATOM 136 CB GLN A 11 -9.925 -1.107 -6.854 1.00100.00 C ATOM 137 CG GLN A 11 -10.565 -1.168 -5.473 1.00100.00 C ATOM 138 CD GLN A 11 -12.006 -0.674 -5.521 1.00100.00 C ATOM 139 OE1 GLN A 11 -12.265 0.442 -5.959 1.00100.00 O ATOM 140 NE2 GLN A 11 -12.943 -1.508 -5.063 1.00100.00 N ATOM 0 H GLN A 11 -8.419 -2.942 -5.290 1.00100.00 H new ATOM 0 HA GLN A 11 -8.167 -1.631 -7.895 1.00100.00 H new ATOM 0 HB2 GLN A 11 -9.977 -0.086 -7.231 1.00100.00 H new ATOM 0 HB3 GLN A 11 -10.495 -1.730 -7.543 1.00100.00 H new ATOM 0 HG2 GLN A 11 -10.539 -2.192 -5.100 1.00100.00 H new ATOM 0 HG3 GLN A 11 -9.991 -0.560 -4.774 1.00100.00 H new ATOM 0 HE21 GLN A 11 -12.678 -2.427 -4.708 1.00100.00 H new ATOM 0 HE22 GLN A 11 -13.923 -1.226 -5.068 1.00100.00 H new ATOM 149 N GLU A 12 -6.378 -1.070 -5.625 1.00100.00 N ATOM 150 CA GLU A 12 -5.357 -0.299 -4.948 1.00100.00 C ATOM 151 C GLU A 12 -5.836 0.572 -3.811 1.00100.00 C ATOM 152 O GLU A 12 -5.589 1.780 -3.773 1.00100.00 O ATOM 153 CB GLU A 12 -4.445 0.478 -5.929 1.00100.00 C ATOM 154 CG GLU A 12 -3.709 -0.480 -6.863 1.00100.00 C ATOM 155 CD GLU A 12 -2.752 0.262 -7.791 1.00100.00 C ATOM 156 OE1 GLU A 12 -2.699 1.508 -7.692 1.00100.00 O1- ATOM 157 OE2 GLU A 12 -2.086 -0.435 -8.585 1.00100.00 O ATOM 0 H GLU A 12 -6.148 -2.063 -5.669 1.00100.00 H new ATOM 0 HA GLU A 12 -4.751 -1.062 -4.461 1.00100.00 H new ATOM 0 HB2 GLU A 12 -5.044 1.175 -6.515 1.00100.00 H new ATOM 0 HB3 GLU A 12 -3.723 1.072 -5.368 1.00100.00 H new ATOM 0 HG2 GLU A 12 -3.153 -1.208 -6.273 1.00100.00 H new ATOM 0 HG3 GLU A 12 -4.433 -1.038 -7.457 1.00100.00 H new ATOM 164 N ILE A 13 -6.569 -0.056 -2.861 1.00100.00 N ATOM 165 CA ILE A 13 -7.097 0.660 -1.729 1.00100.00 C ATOM 166 C ILE A 13 -6.328 0.370 -0.467 1.00100.00 C ATOM 167 O ILE A 13 -6.181 -0.776 -0.037 1.00100.00 O ATOM 168 CB ILE A 13 -8.592 0.446 -1.477 1.00100.00 C ATOM 169 CG1 ILE A 13 -9.010 -1.008 -1.198 1.00100.00 C ATOM 170 CG2 ILE A 13 -9.348 1.017 -2.674 1.00100.00 C ATOM 171 CD1 ILE A 13 -8.683 -2.013 -2.304 1.00100.00 C ATOM 0 H ILE A 13 -6.794 -1.051 -2.876 1.00100.00 H new ATOM 0 HA ILE A 13 -6.972 1.708 -2.002 1.00100.00 H new ATOM 0 HB ILE A 13 -8.844 0.966 -0.553 1.00100.00 H new ATOM 0 HG12 ILE A 13 -8.526 -1.336 -0.278 1.00100.00 H new ATOM 0 HG13 ILE A 13 -10.085 -1.030 -1.018 1.00100.00 H new ATOM 0 HG21 ILE A 13 -10.419 0.881 -2.526 1.00100.00 H new ATOM 0 HG22 ILE A 13 -9.127 2.080 -2.770 1.00100.00 H new ATOM 0 HG23 ILE A 13 -9.038 0.499 -3.581 1.00100.00 H new ATOM 0 HD11 ILE A 13 -9.020 -3.006 -2.005 1.00100.00 H new ATOM 0 HD12 ILE A 13 -9.190 -1.720 -3.224 1.00100.00 H new ATOM 0 HD13 ILE A 13 -7.606 -2.031 -2.473 1.00100.00 H new ATOM 183 N CYS A 14 -5.768 1.457 0.097 1.00100.00 N ATOM 184 CA CYS A 14 -5.002 1.512 1.320 1.00100.00 C ATOM 185 C CYS A 14 -4.873 2.953 1.723 1.00100.00 C ATOM 186 O CYS A 14 -5.387 3.849 1.046 1.00100.00 O ATOM 187 CB CYS A 14 -3.572 0.937 1.263 1.00100.00 C ATOM 188 SG CYS A 14 -3.646 -0.837 0.962 1.00100.00 S ATOM 0 H CYS A 14 -5.855 2.377 -0.335 1.00100.00 H new ATOM 0 HA CYS A 14 -5.553 0.886 2.022 1.00100.00 H new ATOM 0 HB2 CYS A 14 -3.003 1.427 0.472 1.00100.00 H new ATOM 0 HB3 CYS A 14 -3.052 1.136 2.200 1.00100.00 H new ATOM 0 HG CYS A 14 -3.111 -1.470 1.964 1.00100.00 H new ATOM 193 N ALA A 15 -4.219 3.205 2.890 1.00100.00 N ATOM 194 CA ALA A 15 -3.944 4.537 3.383 1.00100.00 C ATOM 195 C ALA A 15 -3.046 5.189 2.351 1.00100.00 C ATOM 196 O ALA A 15 -3.238 6.352 1.993 1.00100.00 O ATOM 197 CB ALA A 15 -3.191 4.526 4.729 1.00100.00 C ATOM 0 H ALA A 15 -3.875 2.466 3.503 1.00100.00 H new ATOM 0 HA ALA A 15 -4.886 5.063 3.541 1.00100.00 H new ATOM 0 HB1 ALA A 15 -3.010 5.551 5.053 1.00100.00 H new ATOM 0 HB2 ALA A 15 -3.791 4.009 5.478 1.00100.00 H new ATOM 0 HB3 ALA A 15 -2.238 4.010 4.609 1.00100.00 H new ATOM 203 N HIS A 16 -2.049 4.412 1.855 1.00100.00 N ATOM 204 CA HIS A 16 -1.128 4.814 0.828 1.00100.00 C ATOM 205 C HIS A 16 -1.690 4.364 -0.508 1.00100.00 C ATOM 206 O HIS A 16 -2.819 3.878 -0.593 1.00100.00 O ATOM 207 CB HIS A 16 0.324 4.360 1.089 1.00100.00 C ATOM 208 CG HIS A 16 0.879 4.984 2.338 1.00100.00 C ATOM 209 ND1 HIS A 16 1.445 6.233 2.438 1.00100.00 N ATOM 210 CD2 HIS A 16 0.859 4.434 3.589 1.00100.00 C ATOM 211 CE1 HIS A 16 1.771 6.421 3.730 1.00100.00 C ATOM 212 NE2 HIS A 16 1.435 5.354 4.472 1.00100.00 N ATOM 0 H HIS A 16 -1.882 3.462 2.188 1.00100.00 H new ATOM 0 HA HIS A 16 -1.040 5.900 0.824 1.00100.00 H new ATOM 0 HB2 HIS A 16 0.357 3.274 1.178 1.00100.00 H new ATOM 0 HB3 HIS A 16 0.949 4.629 0.238 1.00100.00 H new ATOM 0 HD1 HIS A 16 1.591 6.894 1.675 1.00100.00 H new ATOM 0 HD2 HIS A 16 0.468 3.462 3.850 1.00100.00 H new ATOM 0 HE1 HIS A 16 2.241 7.312 4.119 1.00100.00 H new ATOM 220 N SER A 17 -0.913 4.540 -1.597 1.00100.00 N ATOM 221 CA SER A 17 -1.317 4.228 -2.942 1.00100.00 C ATOM 222 C SER A 17 -1.689 2.818 -3.316 1.00100.00 C ATOM 223 O SER A 17 -2.686 2.633 -4.014 1.00100.00 O ATOM 224 CB SER A 17 -0.259 4.715 -3.958 1.00100.00 C ATOM 225 OG SER A 17 0.963 4.045 -3.738 1.00100.00 O ATOM 0 H SER A 17 0.034 4.914 -1.540 1.00100.00 H new ATOM 0 HA SER A 17 -2.266 4.763 -2.981 1.00100.00 H new ATOM 0 HB2 SER A 17 -0.607 4.531 -4.975 1.00100.00 H new ATOM 0 HB3 SER A 17 -0.116 5.791 -3.860 1.00100.00 H new ATOM 0 HG SER A 17 1.628 4.357 -4.386 1.00100.00 H new ATOM 231 N MET A 18 -0.919 1.804 -2.864 1.00100.00 N ATOM 232 CA MET A 18 -1.159 0.425 -3.226 1.00100.00 C ATOM 233 C MET A 18 -2.177 -0.353 -2.427 1.00100.00 C ATOM 234 O MET A 18 -3.049 0.240 -1.798 1.00100.00 O ATOM 235 CB MET A 18 0.150 -0.371 -3.389 1.00100.00 C ATOM 236 CG MET A 18 1.077 0.272 -4.416 1.00100.00 C ATOM 237 SD MET A 18 0.415 0.227 -6.104 1.00100.00 S ATOM 238 CE MET A 18 0.293 -1.570 -6.325 1.00100.00 C ATOM 0 H MET A 18 -0.122 1.937 -2.242 1.00100.00 H new ATOM 0 HA MET A 18 -1.649 0.537 -4.193 1.00100.00 H new ATOM 0 HB2 MET A 18 0.660 -0.434 -2.428 1.00100.00 H new ATOM 0 HB3 MET A 18 -0.080 -1.391 -3.695 1.00100.00 H new ATOM 0 HG2 MET A 18 1.260 1.308 -4.132 1.00100.00 H new ATOM 0 HG3 MET A 18 2.040 -0.239 -4.397 1.00100.00 H new ATOM 0 HE1 MET A 18 0.303 -1.807 -7.389 1.00100.00 H new ATOM 0 HE2 MET A 18 1.139 -2.055 -5.837 1.00100.00 H new ATOM 0 HE3 MET A 18 -0.636 -1.929 -5.882 1.00100.00 H new ATOM 248 N THR A 19 -2.330 -1.653 -2.805 1.00100.00 N ATOM 249 CA THR A 19 -3.244 -2.621 -2.233 1.00100.00 C ATOM 250 C THR A 19 -2.815 -3.065 -0.858 1.00100.00 C ATOM 251 O THR A 19 -1.691 -2.801 -0.430 1.00100.00 O ATOM 252 CB THR A 19 -3.384 -3.889 -3.063 1.00100.00 C ATOM 253 OG1 THR A 19 -2.125 -4.504 -3.198 1.00100.00 O ATOM 254 CG2 THR A 19 -3.955 -3.575 -4.444 1.00100.00 C ATOM 0 H THR A 19 -1.776 -2.053 -3.562 1.00100.00 H new ATOM 0 HA THR A 19 -4.195 -2.090 -2.201 1.00100.00 H new ATOM 0 HB THR A 19 -4.071 -4.564 -2.553 1.00100.00 H new ATOM 0 HG1 THR A 19 -2.216 -5.321 -3.731 1.00100.00 H new ATOM 0 HG21 THR A 19 -4.046 -4.497 -5.018 1.00100.00 H new ATOM 0 HG22 THR A 19 -4.938 -3.117 -4.336 1.00100.00 H new ATOM 0 HG23 THR A 19 -3.289 -2.887 -4.965 1.00100.00 H new ATOM 262 N PHE A 20 -3.733 -3.767 -0.136 1.00100.00 N ATOM 263 CA PHE A 20 -3.509 -4.278 1.202 1.00100.00 C ATOM 264 C PHE A 20 -2.352 -5.240 1.192 1.00100.00 C ATOM 265 O PHE A 20 -1.518 -5.223 2.096 1.00100.00 O ATOM 266 CB PHE A 20 -4.722 -5.019 1.796 1.00100.00 C ATOM 267 CG PHE A 20 -5.855 -4.066 2.089 1.00100.00 C ATOM 268 CD1 PHE A 20 -5.699 -3.094 3.087 1.00100.00 C ATOM 269 CD2 PHE A 20 -7.044 -4.123 1.349 1.00100.00 C ATOM 270 CE1 PHE A 20 -6.729 -2.181 3.346 1.00100.00 C ATOM 271 CE2 PHE A 20 -8.077 -3.215 1.611 1.00100.00 C ATOM 272 CZ PHE A 20 -7.919 -2.242 2.608 1.00100.00 C ATOM 0 H PHE A 20 -4.662 -3.986 -0.496 1.00100.00 H new ATOM 0 HA PHE A 20 -3.312 -3.403 1.822 1.00100.00 H new ATOM 0 HB2 PHE A 20 -5.060 -5.786 1.099 1.00100.00 H new ATOM 0 HB3 PHE A 20 -4.426 -5.529 2.713 1.00100.00 H new ATOM 0 HD1 PHE A 20 -4.783 -3.049 3.657 1.00100.00 H new ATOM 0 HD2 PHE A 20 -7.163 -4.868 0.576 1.00100.00 H new ATOM 0 HE1 PHE A 20 -6.606 -1.431 4.113 1.00100.00 H new ATOM 0 HE2 PHE A 20 -8.996 -3.264 1.045 1.00100.00 H new ATOM 0 HZ PHE A 20 -8.714 -1.539 2.807 1.00100.00 H new ATOM 282 N GLU A 21 -2.260 -6.069 0.127 1.00100.00 N ATOM 283 CA GLU A 21 -1.219 -7.045 -0.091 1.00100.00 C ATOM 284 C GLU A 21 0.115 -6.341 -0.194 1.00100.00 C ATOM 285 O GLU A 21 1.119 -6.817 0.337 1.00100.00 O ATOM 286 CB GLU A 21 -1.427 -7.793 -1.422 1.00100.00 C ATOM 287 CG GLU A 21 -2.783 -8.492 -1.471 1.00100.00 C ATOM 288 CD GLU A 21 -2.982 -9.229 -2.792 1.00100.00 C ATOM 289 OE1 GLU A 21 -2.427 -8.750 -3.805 1.00100.00 O1- ATOM 290 OE2 GLU A 21 -3.693 -10.256 -2.765 1.00100.00 O ATOM 0 H GLU A 21 -2.949 -6.059 -0.625 1.00100.00 H new ATOM 0 HA GLU A 21 -1.247 -7.746 0.743 1.00100.00 H new ATOM 0 HB2 GLU A 21 -1.350 -7.089 -2.251 1.00100.00 H new ATOM 0 HB3 GLU A 21 -0.633 -8.529 -1.554 1.00100.00 H new ATOM 0 HG2 GLU A 21 -2.860 -9.198 -0.644 1.00100.00 H new ATOM 0 HG3 GLU A 21 -3.578 -7.758 -1.339 1.00100.00 H new ATOM 297 N GLU A 22 0.123 -5.166 -0.865 1.00100.00 N ATOM 298 CA GLU A 22 1.288 -4.355 -1.098 1.00100.00 C ATOM 299 C GLU A 22 1.491 -3.302 -0.016 1.00100.00 C ATOM 300 O GLU A 22 2.383 -2.458 -0.148 1.00100.00 O ATOM 301 CB GLU A 22 1.187 -3.660 -2.475 1.00100.00 C ATOM 302 CG GLU A 22 0.993 -4.649 -3.625 1.00100.00 C ATOM 303 CD GLU A 22 2.198 -5.558 -3.806 1.00100.00 C ATOM 304 OE1 GLU A 22 3.197 -5.071 -4.379 1.00100.00 O1- ATOM 305 OE2 GLU A 22 2.093 -6.727 -3.378 1.00100.00 O ATOM 0 H GLU A 22 -0.725 -4.763 -1.264 1.00100.00 H new ATOM 0 HA GLU A 22 2.148 -5.024 -1.076 1.00100.00 H new ATOM 0 HB2 GLU A 22 0.354 -2.957 -2.462 1.00100.00 H new ATOM 0 HB3 GLU A 22 2.092 -3.078 -2.651 1.00100.00 H new ATOM 0 HG2 GLU A 22 0.107 -5.255 -3.436 1.00100.00 H new ATOM 0 HG3 GLU A 22 0.812 -4.099 -4.549 1.00100.00 H new ATOM 312 N CYS A 23 0.708 -3.349 1.109 1.00100.00 N ATOM 313 CA CYS A 23 0.831 -2.385 2.188 1.00100.00 C ATOM 314 C CYS A 23 2.206 -2.330 2.816 1.00100.00 C ATOM 315 O CYS A 23 2.672 -1.202 3.008 1.00100.00 O ATOM 316 CB CYS A 23 -0.139 -2.554 3.385 1.00100.00 C ATOM 317 SG CYS A 23 -1.774 -1.903 3.012 1.00100.00 S ATOM 0 H CYS A 23 -0.009 -4.057 1.266 1.00100.00 H new ATOM 0 HA CYS A 23 0.586 -1.476 1.639 1.00100.00 H new ATOM 0 HB2 CYS A 23 -0.218 -3.610 3.643 1.00100.00 H new ATOM 0 HB3 CYS A 23 0.267 -2.042 4.257 1.00100.00 H new ATOM 0 HG CYS A 23 -1.733 -1.242 1.893 1.00100.00 H new ATOM 322 N PRO A 24 2.919 -3.461 3.149 1.00100.00 N ATOM 323 CA PRO A 24 4.247 -3.384 3.722 1.00100.00 C ATOM 324 C PRO A 24 5.224 -2.692 2.804 1.00100.00 C ATOM 325 O PRO A 24 6.099 -1.984 3.304 1.00100.00 O ATOM 326 CB PRO A 24 4.650 -4.810 4.097 1.00100.00 C ATOM 327 CG PRO A 24 3.805 -5.652 3.142 1.00100.00 C ATOM 328 CD PRO A 24 2.518 -4.843 2.973 1.00100.00 C ATOM 0 HA PRO A 24 4.254 -2.762 4.617 1.00100.00 H new ATOM 0 HB2 PRO A 24 5.717 -4.981 3.954 1.00100.00 H new ATOM 0 HB3 PRO A 24 4.428 -5.034 5.140 1.00100.00 H new ATOM 0 HG2 PRO A 24 4.311 -5.801 2.188 1.00100.00 H new ATOM 0 HG3 PRO A 24 3.603 -6.641 3.554 1.00100.00 H new ATOM 0 HD2 PRO A 24 2.077 -5.004 1.989 1.00100.00 H new ATOM 0 HD3 PRO A 24 1.769 -5.134 3.710 1.00100.00 H new ATOM 336 N LYS A 25 5.079 -2.892 1.472 1.00100.00 N ATOM 337 CA LYS A 25 5.904 -2.298 0.447 1.00100.00 C ATOM 338 C LYS A 25 5.718 -0.805 0.406 1.00100.00 C ATOM 339 O LYS A 25 6.689 -0.060 0.257 1.00100.00 O ATOM 340 CB LYS A 25 5.616 -2.901 -0.930 1.00100.00 C ATOM 341 CG LYS A 25 5.941 -4.393 -0.912 1.00100.00 C ATOM 342 CD LYS A 25 5.599 -4.991 -2.271 1.00100.00 C ATOM 343 CE LYS A 25 5.895 -6.487 -2.271 1.00100.00 C ATOM 344 NZ LYS A 25 5.511 -7.095 -3.554 1.00100.00 N1+ ATOM 0 H LYS A 25 4.352 -3.497 1.091 1.00100.00 H new ATOM 0 HA LYS A 25 6.941 -2.517 0.702 1.00100.00 H new ATOM 0 HB2 LYS A 25 4.569 -2.749 -1.193 1.00100.00 H new ATOM 0 HB3 LYS A 25 6.212 -2.397 -1.691 1.00100.00 H new ATOM 0 HG2 LYS A 25 6.997 -4.546 -0.688 1.00100.00 H new ATOM 0 HG3 LYS A 25 5.373 -4.893 -0.127 1.00100.00 H new ATOM 0 HD2 LYS A 25 4.547 -4.820 -2.499 1.00100.00 H new ATOM 0 HD3 LYS A 25 6.178 -4.497 -3.051 1.00100.00 H new ATOM 0 HE2 LYS A 25 6.957 -6.652 -2.088 1.00100.00 H new ATOM 0 HE3 LYS A 25 5.353 -6.970 -1.458 1.00100.00 H new ATOM 0 HZ1 LYS A 25 5.168 -8.063 -3.391 1.00100.00 H new ATOM 0 HZ2 LYS A 25 4.757 -6.530 -3.994 1.00100.00 H new ATOM 0 HZ3 LYS A 25 6.336 -7.123 -4.186 1.00100.00 H new ATOM 358 N CYS A 26 4.452 -0.352 0.584 1.00100.00 N ATOM 359 CA CYS A 26 4.052 1.041 0.613 1.00100.00 C ATOM 360 C CYS A 26 4.546 1.720 1.863 1.00100.00 C ATOM 361 O CYS A 26 4.490 2.950 1.954 1.00100.00 O ATOM 362 CB CYS A 26 2.527 1.225 0.663 1.00100.00 C ATOM 363 SG CYS A 26 1.870 0.907 -0.975 1.00100.00 S ATOM 0 H CYS A 26 3.665 -0.988 0.715 1.00100.00 H new ATOM 0 HA CYS A 26 4.472 1.464 -0.299 1.00100.00 H new ATOM 0 HB2 CYS A 26 2.085 0.542 1.389 1.00100.00 H new ATOM 0 HB3 CYS A 26 2.276 2.236 0.983 1.00100.00 H new ATOM 0 HG CYS A 26 2.403 -0.178 -1.453 1.00100.00 H new ATOM 369 N SER A 27 5.077 0.923 2.834 1.00100.00 N ATOM 370 CA SER A 27 5.553 1.338 4.126 1.00100.00 C ATOM 371 C SER A 27 4.391 1.934 4.880 1.00100.00 C ATOM 372 O SER A 27 4.510 2.923 5.604 1.00100.00 O ATOM 373 CB SER A 27 6.771 2.295 4.040 1.00100.00 C ATOM 374 OG SER A 27 7.822 1.664 3.343 1.00100.00 O ATOM 0 H SER A 27 5.177 -0.083 2.697 1.00100.00 H new ATOM 0 HA SER A 27 5.932 0.472 4.669 1.00100.00 H new ATOM 0 HB2 SER A 27 6.487 3.217 3.532 1.00100.00 H new ATOM 0 HB3 SER A 27 7.100 2.571 5.042 1.00100.00 H new ATOM 0 HG SER A 27 8.589 2.271 3.289 1.00100.00 H new ATOM 380 N ALA A 28 3.212 1.278 4.698 1.00100.00 N ATOM 381 CA ALA A 28 1.969 1.635 5.318 1.00100.00 C ATOM 382 C ALA A 28 2.046 1.475 6.795 1.00100.00 C ATOM 383 O ALA A 28 1.536 2.321 7.522 1.00100.00 O ATOM 384 CB ALA A 28 0.765 0.823 4.816 1.00100.00 C ATOM 0 H ALA A 28 3.131 0.463 4.090 1.00100.00 H new ATOM 0 HA ALA A 28 1.810 2.678 5.043 1.00100.00 H new ATOM 0 HB1 ALA A 28 -0.137 1.152 5.333 1.00100.00 H new ATOM 0 HB2 ALA A 28 0.645 0.976 3.743 1.00100.00 H new ATOM 0 HB3 ALA A 28 0.931 -0.236 5.015 1.00100.00 H new ATOM 390 N LEU A 29 2.703 0.389 7.268 1.00100.00 N ATOM 391 CA LEU A 29 2.862 0.100 8.672 1.00100.00 C ATOM 392 C LEU A 29 3.656 1.207 9.334 1.00100.00 C ATOM 393 O LEU A 29 3.287 1.695 10.403 1.00100.00 O ATOM 394 CB LEU A 29 3.622 -1.228 8.876 1.00100.00 C ATOM 395 CG LEU A 29 2.935 -2.385 8.146 1.00100.00 C ATOM 396 CD1 LEU A 29 3.759 -3.656 8.341 1.00100.00 C ATOM 397 CD2 LEU A 29 1.524 -2.615 8.687 1.00100.00 C ATOM 0 H LEU A 29 3.135 -0.306 6.659 1.00100.00 H new ATOM 0 HA LEU A 29 1.869 0.022 9.115 1.00100.00 H new ATOM 0 HB2 LEU A 29 4.644 -1.123 8.513 1.00100.00 H new ATOM 0 HB3 LEU A 29 3.684 -1.453 9.941 1.00100.00 H new ATOM 0 HG LEU A 29 2.863 -2.134 7.088 1.00100.00 H new ATOM 0 HD11 LEU A 29 3.276 -4.485 7.824 1.00100.00 H new ATOM 0 HD12 LEU A 29 4.759 -3.507 7.934 1.00100.00 H new ATOM 0 HD13 LEU A 29 3.830 -3.884 9.405 1.00100.00 H new ATOM 0 HD21 LEU A 29 1.059 -3.442 8.151 1.00100.00 H new ATOM 0 HD22 LEU A 29 1.576 -2.855 9.749 1.00100.00 H new ATOM 0 HD23 LEU A 29 0.929 -1.712 8.547 1.00100.00 H new ATOM 409 N GLN A 30 4.763 1.617 8.666 1.00100.00 N ATOM 410 CA GLN A 30 5.698 2.655 9.034 1.00100.00 C ATOM 411 C GLN A 30 5.087 4.037 9.047 1.00100.00 C ATOM 412 O GLN A 30 5.393 4.832 9.938 1.00100.00 O ATOM 413 CB GLN A 30 6.923 2.649 8.080 1.00100.00 C ATOM 414 CG GLN A 30 7.939 3.724 8.462 1.00100.00 C ATOM 415 CD GLN A 30 8.405 3.562 9.903 1.00100.00 C ATOM 416 OE1 GLN A 30 8.847 2.484 10.297 1.00100.00 O ATOM 417 NE2 GLN A 30 8.307 4.635 10.690 1.00100.00 N ATOM 0 H GLN A 30 5.027 1.178 7.784 1.00100.00 H new ATOM 0 HA GLN A 30 6.009 2.427 10.054 1.00100.00 H new ATOM 0 HB2 GLN A 30 7.401 1.670 8.107 1.00100.00 H new ATOM 0 HB3 GLN A 30 6.588 2.812 7.056 1.00100.00 H new ATOM 0 HG2 GLN A 30 8.797 3.670 7.792 1.00100.00 H new ATOM 0 HG3 GLN A 30 7.494 4.710 8.331 1.00100.00 H new ATOM 0 HE21 GLN A 30 7.934 5.508 10.318 1.00100.00 H new ATOM 0 HE22 GLN A 30 8.606 4.582 11.664 1.00100.00 H new ATOM 426 N TYR A 31 4.194 4.324 8.064 1.00100.00 N ATOM 427 CA TYR A 31 3.526 5.591 7.835 1.00100.00 C ATOM 428 C TYR A 31 4.419 6.681 7.287 1.00100.00 C ATOM 429 O TYR A 31 4.021 7.847 7.228 1.00100.00 O ATOM 430 CB TYR A 31 2.677 6.156 9.015 1.00100.00 C ATOM 431 CG TYR A 31 1.561 5.214 9.396 1.00100.00 C ATOM 432 CD1 TYR A 31 0.420 5.129 8.586 1.00100.00 C ATOM 433 CD2 TYR A 31 1.680 4.400 10.532 1.00100.00 C ATOM 434 CE1 TYR A 31 -0.609 4.236 8.909 1.00100.00 C ATOM 435 CE2 TYR A 31 0.654 3.505 10.865 1.00100.00 C ATOM 436 CZ TYR A 31 -0.496 3.420 10.054 1.00100.00 C ATOM 437 OH TYR A 31 -1.494 2.546 10.371 1.00100.00 O ATOM 0 H TYR A 31 3.918 3.620 7.379 1.00100.00 H new ATOM 0 HA TYR A 31 2.816 5.297 7.062 1.00100.00 H new ATOM 0 HB2 TYR A 31 3.320 6.327 9.878 1.00100.00 H new ATOM 0 HB3 TYR A 31 2.258 7.122 8.733 1.00100.00 H new ATOM 0 HD1 TYR A 31 0.334 5.754 7.710 1.00100.00 H new ATOM 0 HD2 TYR A 31 2.563 4.463 11.151 1.00100.00 H new ATOM 0 HE1 TYR A 31 -1.487 4.172 8.283 1.00100.00 H new ATOM 0 HE2 TYR A 31 0.744 2.881 11.742 1.00100.00 H new ATOM 0 HH TYR A 31 -1.256 2.061 11.188 1.00100.00 H new ATOM 447 N ARG A 32 5.647 6.317 6.848 1.00100.00 N ATOM 448 CA ARG A 32 6.569 7.243 6.241 1.00100.00 C ATOM 449 C ARG A 32 6.730 6.657 4.875 1.00100.00 C ATOM 450 O ARG A 32 7.054 5.474 4.733 1.00100.00 O ATOM 451 CB ARG A 32 7.960 7.347 6.894 1.00100.00 C ATOM 452 CG ARG A 32 7.843 7.923 8.305 1.00100.00 C ATOM 453 CD ARG A 32 9.232 8.157 8.899 1.00100.00 C ATOM 454 NE ARG A 32 9.933 9.253 8.220 1.00100.00 N ATOM 455 CZ ARG A 32 11.166 9.664 8.555 1.00100.00 C ATOM 456 NH1 ARG A 32 11.850 9.049 9.529 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 11.721 10.702 7.916 1.00100.00 N ATOM 0 H ARG A 32 6.006 5.364 6.916 1.00100.00 H new ATOM 0 HA ARG A 32 6.180 8.258 6.313 1.00100.00 H new ATOM 0 HB2 ARG A 32 8.425 6.362 6.934 1.00100.00 H new ATOM 0 HB3 ARG A 32 8.607 7.981 6.288 1.00100.00 H new ATOM 0 HG2 ARG A 32 7.289 8.861 8.277 1.00100.00 H new ATOM 0 HG3 ARG A 32 7.279 7.239 8.939 1.00100.00 H new ATOM 0 HD2 ARG A 32 9.140 8.386 9.961 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.821 7.243 8.819 1.00100.00 H new ATOM 0 HE ARG A 32 9.458 9.728 7.452 1.00100.00 H new ATOM 0 HH11 ARG A 32 11.434 8.260 10.024 1.00100.00 H new ATOM 0 HH12 ARG A 32 12.786 9.370 9.775 1.00100.00 H new ATOM 0 HH21 ARG A 32 11.207 11.179 7.176 1.00100.00 H new ATOM 0 HH22 ARG A 32 12.658 11.015 8.170 1.00100.00 H new ATOM 471 N ASN A 33 6.519 7.492 3.834 1.00100.00 N ATOM 472 CA ASN A 33 6.583 7.025 2.477 1.00100.00 C ATOM 473 C ASN A 33 7.991 6.984 1.984 1.00100.00 C ATOM 474 O ASN A 33 8.693 7.995 1.979 1.00100.00 O ATOM 475 CB ASN A 33 5.673 7.852 1.536 1.00100.00 C ATOM 476 CG ASN A 33 5.705 7.328 0.111 1.00100.00 C ATOM 477 OD1 ASN A 33 5.462 6.147 -0.125 1.00100.00 O ATOM 478 ND2 ASN A 33 5.998 8.219 -0.837 1.00100.00 N ATOM 0 H ASN A 33 6.305 8.485 3.931 1.00100.00 H new ATOM 0 HA ASN A 33 6.201 6.004 2.469 1.00100.00 H new ATOM 0 HB2 ASN A 33 4.649 7.828 1.908 1.00100.00 H new ATOM 0 HB3 ASN A 33 5.992 8.894 1.547 1.00100.00 H new ATOM 0 HD21 ASN A 33 6.029 7.932 -1.815 1.00100.00 H new ATOM 0 HD22 ASN A 33 6.192 9.188 -0.584 1.00100.00 H new ATOM 485 N GLY A 34 8.398 5.764 1.563 1.00100.00 N ATOM 486 CA GLY A 34 9.699 5.433 1.042 1.00100.00 C ATOM 487 C GLY A 34 10.022 6.167 -0.227 1.00100.00 C ATOM 488 O GLY A 34 11.158 6.604 -0.415 1.00100.00 O ATOM 0 H GLY A 34 7.776 4.956 1.589 1.00100.00 H new ATOM 0 HA2 GLY A 34 10.455 5.664 1.792 1.00100.00 H new ATOM 0 HA3 GLY A 34 9.749 4.360 0.858 1.00100.00 H new ATOM 492 N PHE A 35 9.007 6.306 -1.112 1.00100.00 N ATOM 493 CA PHE A 35 9.105 6.964 -2.395 1.00100.00 C ATOM 494 C PHE A 35 9.247 8.452 -2.192 1.00100.00 C ATOM 495 O PHE A 35 8.906 8.971 -1.125 1.00100.00 O ATOM 496 CB PHE A 35 7.862 6.725 -3.282 1.00100.00 C ATOM 497 CG PHE A 35 7.701 5.274 -3.675 1.00100.00 C ATOM 498 CD1 PHE A 35 8.343 4.785 -4.821 1.00100.00 C ATOM 499 CD2 PHE A 35 6.925 4.413 -2.886 1.00100.00 C ATOM 500 CE1 PHE A 35 8.205 3.437 -5.179 1.00100.00 C ATOM 501 CE2 PHE A 35 6.788 3.066 -3.244 1.00100.00 C ATOM 502 CZ PHE A 35 7.427 2.578 -4.392 1.00100.00 C ATOM 0 H PHE A 35 8.072 5.943 -0.926 1.00100.00 H new ATOM 0 HA PHE A 35 9.976 6.543 -2.897 1.00100.00 H new ATOM 0 HB2 PHE A 35 6.970 7.055 -2.749 1.00100.00 H new ATOM 0 HB3 PHE A 35 7.939 7.335 -4.182 1.00100.00 H new ATOM 0 HD1 PHE A 35 8.944 5.446 -5.428 1.00100.00 H new ATOM 0 HD2 PHE A 35 6.432 4.789 -2.001 1.00100.00 H new ATOM 0 HE1 PHE A 35 8.699 3.060 -6.062 1.00100.00 H new ATOM 0 HE2 PHE A 35 6.190 2.403 -2.636 1.00100.00 H new ATOM 0 HZ PHE A 35 7.320 1.540 -4.670 1.00100.00 H new ATOM 512 N TYR A 36 9.749 9.164 -3.242 1.00100.00 N ATOM 513 CA TYR A 36 10.014 10.591 -3.252 1.00100.00 C ATOM 514 C TYR A 36 11.134 10.811 -2.281 1.00100.00 C ATOM 515 O TYR A 36 10.932 11.227 -1.141 1.00100.00 O ATOM 516 CB TYR A 36 8.834 11.548 -2.900 1.00100.00 C ATOM 517 CG TYR A 36 7.676 11.443 -3.865 1.00100.00 C ATOM 518 CD1 TYR A 36 6.684 10.474 -3.665 1.00100.00 C ATOM 519 CD2 TYR A 36 7.601 12.312 -4.963 1.00100.00 C ATOM 520 CE1 TYR A 36 5.610 10.370 -4.560 1.00100.00 C ATOM 521 CE2 TYR A 36 6.531 12.216 -5.863 1.00100.00 C ATOM 522 CZ TYR A 36 5.529 11.244 -5.664 1.00100.00 C ATOM 523 OH TYR A 36 4.486 11.148 -6.538 1.00100.00 O ATOM 0 H TYR A 36 9.982 8.719 -4.130 1.00100.00 H new ATOM 0 HA TYR A 36 10.239 10.853 -4.286 1.00100.00 H new ATOM 0 HB2 TYR A 36 8.481 11.325 -1.893 1.00100.00 H new ATOM 0 HB3 TYR A 36 9.198 12.575 -2.890 1.00100.00 H new ATOM 0 HD1 TYR A 36 6.747 9.805 -2.819 1.00100.00 H new ATOM 0 HD2 TYR A 36 8.369 13.056 -5.115 1.00100.00 H new ATOM 0 HE1 TYR A 36 4.846 9.622 -4.404 1.00100.00 H new ATOM 0 HE2 TYR A 36 6.474 12.886 -6.708 1.00100.00 H new ATOM 0 HH TYR A 36 4.584 11.825 -7.240 1.00100.00 H new ATOM 533 N LEU A 37 12.360 10.478 -2.733 1.00100.00 N ATOM 534 CA LEU A 37 13.568 10.579 -1.952 1.00100.00 C ATOM 535 C LEU A 37 13.831 12.002 -1.543 1.00100.00 C ATOM 536 O LEU A 37 14.097 12.267 -0.367 1.00100.00 O ATOM 537 CB LEU A 37 14.808 10.125 -2.756 1.00100.00 C ATOM 538 CG LEU A 37 14.703 8.649 -3.149 1.00100.00 C ATOM 539 CD1 LEU A 37 15.919 8.277 -3.996 1.00100.00 C ATOM 540 CD2 LEU A 37 14.666 7.752 -1.911 1.00100.00 C ATOM 0 H LEU A 37 12.521 10.125 -3.676 1.00100.00 H new ATOM 0 HA LEU A 37 13.415 9.938 -1.084 1.00100.00 H new ATOM 0 HB2 LEU A 37 14.907 10.737 -3.653 1.00100.00 H new ATOM 0 HB3 LEU A 37 15.708 10.283 -2.161 1.00100.00 H new ATOM 0 HG LEU A 37 13.781 8.502 -3.711 1.00100.00 H new ATOM 0 HD11 LEU A 37 15.856 7.227 -4.282 1.00100.00 H new ATOM 0 HD12 LEU A 37 15.941 8.897 -4.892 1.00100.00 H new ATOM 0 HD13 LEU A 37 16.829 8.441 -3.418 1.00100.00 H new ATOM 0 HD21 LEU A 37 14.591 6.709 -2.219 1.00100.00 H new ATOM 0 HD22 LEU A 37 15.578 7.894 -1.331 1.00100.00 H new ATOM 0 HD23 LEU A 37 13.802 8.012 -1.299 1.00100.00 H new ATOM 552 N LEU A 38 13.708 12.955 -2.499 1.00100.00 N ATOM 553 CA LEU A 38 13.953 14.331 -2.182 1.00100.00 C ATOM 554 C LEU A 38 12.632 14.931 -1.838 1.00100.00 C ATOM 555 O LEU A 38 11.830 15.269 -2.715 1.00100.00 O ATOM 556 CB LEU A 38 14.606 15.140 -3.326 1.00100.00 C ATOM 557 CG LEU A 38 15.927 14.506 -3.771 1.00100.00 C ATOM 558 CD1 LEU A 38 16.523 15.344 -4.901 1.00100.00 C ATOM 559 CD2 LEU A 38 16.926 14.438 -2.616 1.00100.00 C ATOM 0 H LEU A 38 13.445 12.775 -3.468 1.00100.00 H new ATOM 0 HA LEU A 38 14.667 14.370 -1.360 1.00100.00 H new ATOM 0 HB2 LEU A 38 13.922 15.193 -4.173 1.00100.00 H new ATOM 0 HB3 LEU A 38 14.784 16.163 -2.995 1.00100.00 H new ATOM 0 HG LEU A 38 15.727 13.490 -4.110 1.00100.00 H new ATOM 0 HD11 LEU A 38 17.465 14.901 -5.225 1.00100.00 H new ATOM 0 HD12 LEU A 38 15.827 15.372 -5.740 1.00100.00 H new ATOM 0 HD13 LEU A 38 16.703 16.359 -4.546 1.00100.00 H new ATOM 0 HD21 LEU A 38 17.854 13.983 -2.964 1.00100.00 H new ATOM 0 HD22 LEU A 38 17.130 15.445 -2.252 1.00100.00 H new ATOM 0 HD23 LEU A 38 16.508 13.837 -1.808 1.00100.00 H new ATOM 571 N LYS A 39 12.384 15.051 -0.517 1.00100.00 N ATOM 572 CA LYS A 39 11.163 15.626 -0.044 1.00100.00 C ATOM 573 C LYS A 39 11.527 16.945 0.524 1.00100.00 C ATOM 574 O LYS A 39 12.318 17.046 1.463 1.00100.00 O ATOM 575 CB LYS A 39 10.441 14.859 1.076 1.00100.00 C ATOM 576 CG LYS A 39 10.077 13.444 0.644 1.00100.00 C ATOM 577 CD LYS A 39 9.284 12.773 1.762 1.00100.00 C ATOM 578 CE LYS A 39 8.844 11.374 1.338 1.00100.00 C ATOM 579 NZ LYS A 39 8.037 10.740 2.392 1.00100.00 N1+ ATOM 0 H LYS A 39 13.026 14.751 0.217 1.00100.00 H new ATOM 0 HA LYS A 39 10.479 15.638 -0.892 1.00100.00 H new ATOM 0 HB2 LYS A 39 11.079 14.817 1.959 1.00100.00 H new ATOM 0 HB3 LYS A 39 9.537 15.397 1.361 1.00100.00 H new ATOM 0 HG2 LYS A 39 9.488 13.470 -0.273 1.00100.00 H new ATOM 0 HG3 LYS A 39 10.979 12.873 0.427 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.894 12.712 2.663 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.411 13.376 2.009 1.00100.00 H new ATOM 0 HE2 LYS A 39 8.265 11.433 0.416 1.00100.00 H new ATOM 0 HE3 LYS A 39 9.720 10.761 1.125 1.00100.00 H new ATOM 0 HZ1 LYS A 39 8.245 9.722 2.423 1.00100.00 H new ATOM 0 HZ2 LYS A 39 8.267 11.169 3.311 1.00100.00 H new ATOM 0 HZ3 LYS A 39 7.027 10.881 2.188 1.00100.00 H new ATOM 593 N TYR A 40 10.962 17.997 -0.096 1.00100.00 N ATOM 594 CA TYR A 40 11.161 19.360 0.309 1.00100.00 C ATOM 595 C TYR A 40 10.501 19.574 1.652 1.00100.00 C ATOM 596 O TYR A 40 11.059 20.252 2.517 1.00100.00 O ATOM 597 CB TYR A 40 10.606 20.345 -0.753 1.00100.00 C ATOM 598 CG TYR A 40 10.787 21.791 -0.360 1.00100.00 C ATOM 599 CD1 TYR A 40 12.017 22.427 -0.585 1.00100.00 C ATOM 600 CD2 TYR A 40 9.733 22.489 0.247 1.00100.00 C ATOM 601 CE1 TYR A 40 12.195 23.764 -0.209 1.00100.00 C ATOM 602 CE2 TYR A 40 9.903 23.827 0.626 1.00100.00 C ATOM 603 CZ TYR A 40 11.137 24.471 0.398 1.00100.00 C ATOM 604 OH TYR A 40 11.307 25.773 0.765 1.00100.00 O ATOM 0 H TYR A 40 10.347 17.899 -0.904 1.00100.00 H new ATOM 0 HA TYR A 40 12.229 19.558 0.399 1.00100.00 H new ATOM 0 HB2 TYR A 40 11.107 20.166 -1.705 1.00100.00 H new ATOM 0 HB3 TYR A 40 9.546 20.145 -0.908 1.00100.00 H new ATOM 0 HD1 TYR A 40 12.828 21.885 -1.049 1.00100.00 H new ATOM 0 HD2 TYR A 40 8.789 21.994 0.423 1.00100.00 H new ATOM 0 HE1 TYR A 40 13.142 24.253 -0.384 1.00100.00 H new ATOM 0 HE2 TYR A 40 9.090 24.365 1.092 1.00100.00 H new ATOM 0 HH TYR A 40 10.480 26.110 1.168 1.00100.00 H new ATOM 614 N ASP A 41 9.299 18.973 1.836 1.00100.00 N ATOM 615 CA ASP A 41 8.496 19.067 3.031 1.00100.00 C ATOM 616 C ASP A 41 9.206 18.512 4.233 1.00100.00 C ATOM 617 O ASP A 41 9.213 19.154 5.287 1.00100.00 O ATOM 618 CB ASP A 41 7.169 18.283 2.898 1.00100.00 C ATOM 619 CG ASP A 41 6.368 18.767 1.697 1.00100.00 C ATOM 620 OD1 ASP A 41 6.247 20.002 1.554 1.00100.00 O ATOM 621 OD2 ASP A 41 5.895 17.891 0.941 1.00100.00 O1- ATOM 0 H ASP A 41 8.867 18.394 1.116 1.00100.00 H new ATOM 0 HA ASP A 41 8.302 20.132 3.160 1.00100.00 H new ATOM 0 HB2 ASP A 41 7.380 17.219 2.794 1.00100.00 H new ATOM 0 HB3 ASP A 41 6.578 18.404 3.806 1.00100.00 H new ATOM 626 N GLU A 42 9.837 17.319 4.093 1.00100.00 N ATOM 627 CA GLU A 42 10.544 16.714 5.192 1.00100.00 C ATOM 628 C GLU A 42 11.949 17.217 5.271 1.00100.00 C ATOM 629 O GLU A 42 12.569 17.564 4.263 1.00100.00 O ATOM 630 CB GLU A 42 10.560 15.171 5.230 1.00100.00 C ATOM 631 CG GLU A 42 9.167 14.577 5.417 1.00100.00 C ATOM 632 CD GLU A 42 9.250 13.063 5.591 1.00100.00 C ATOM 633 OE1 GLU A 42 10.000 12.634 6.494 1.00100.00 O1- ATOM 634 OE2 GLU A 42 8.562 12.359 4.820 1.00100.00 O ATOM 0 H GLU A 42 9.857 16.780 3.227 1.00100.00 H new ATOM 0 HA GLU A 42 9.962 17.022 6.061 1.00100.00 H new ATOM 0 HB2 GLU A 42 10.992 14.792 4.303 1.00100.00 H new ATOM 0 HB3 GLU A 42 11.206 14.837 6.042 1.00100.00 H new ATOM 0 HG2 GLU A 42 8.689 15.023 6.289 1.00100.00 H new ATOM 0 HG3 GLU A 42 8.545 14.816 4.555 1.00100.00 H new ATOM 641 N GLU A 43 12.462 17.278 6.516 1.00100.00 N ATOM 642 CA GLU A 43 13.787 17.745 6.798 1.00100.00 C ATOM 643 C GLU A 43 14.702 16.567 6.874 1.00100.00 C ATOM 644 O GLU A 43 14.454 15.614 7.617 1.00100.00 O ATOM 645 CB GLU A 43 13.879 18.495 8.141 1.00100.00 C ATOM 646 CG GLU A 43 13.005 19.747 8.101 1.00100.00 C ATOM 647 CD GLU A 43 13.101 20.515 9.413 1.00100.00 C ATOM 648 OE1 GLU A 43 12.295 20.198 10.315 1.00100.00 O ATOM 649 OE2 GLU A 43 13.978 21.401 9.489 1.00100.00 O1- ATOM 0 H GLU A 43 11.942 16.996 7.347 1.00100.00 H new ATOM 0 HA GLU A 43 14.064 18.435 6.001 1.00100.00 H new ATOM 0 HB2 GLU A 43 13.558 17.843 8.954 1.00100.00 H new ATOM 0 HB3 GLU A 43 14.914 18.770 8.343 1.00100.00 H new ATOM 0 HG2 GLU A 43 13.317 20.387 7.276 1.00100.00 H new ATOM 0 HG3 GLU A 43 11.969 19.467 7.913 1.00100.00 H new ATOM 656 N TRP A 44 15.777 16.626 6.052 1.00100.00 N ATOM 657 CA TRP A 44 16.810 15.629 5.936 1.00100.00 C ATOM 658 C TRP A 44 16.343 14.225 5.676 1.00100.00 C ATOM 659 O TRP A 44 16.905 13.264 6.207 1.00100.00 O ATOM 660 CB TRP A 44 17.874 15.637 7.070 1.00100.00 C ATOM 661 CG TRP A 44 18.888 16.733 7.022 1.00100.00 C ATOM 662 CD1 TRP A 44 18.884 17.791 6.182 1.00100.00 C ATOM 663 CD2 TRP A 44 20.085 16.880 7.841 1.00100.00 C ATOM 664 NE1 TRP A 44 19.992 18.577 6.422 1.00100.00 N ATOM 665 CE2 TRP A 44 20.771 18.057 7.436 1.00100.00 C ATOM 666 CE3 TRP A 44 20.660 16.132 8.883 1.00100.00 C ATOM 667 CZ2 TRP A 44 21.969 18.468 8.031 1.00100.00 C ATOM 668 CZ3 TRP A 44 21.858 16.536 9.492 1.00100.00 C ATOM 669 CH2 TRP A 44 22.515 17.700 9.067 1.00100.00 C ATOM 0 H TRP A 44 15.933 17.420 5.431 1.00100.00 H new ATOM 0 HA TRP A 44 17.302 15.969 5.025 1.00100.00 H new ATOM 0 HB2 TRP A 44 17.354 15.695 8.026 1.00100.00 H new ATOM 0 HB3 TRP A 44 18.401 14.683 7.051 1.00100.00 H new ATOM 0 HD1 TRP A 44 18.129 17.991 5.436 1.00100.00 H new ATOM 0 HE1 TRP A 44 20.208 19.435 5.914 1.00100.00 H new ATOM 0 HE3 TRP A 44 20.171 15.230 9.221 1.00100.00 H new ATOM 0 HZ2 TRP A 44 22.466 19.366 7.696 1.00100.00 H new ATOM 0 HZ3 TRP A 44 22.277 15.946 10.294 1.00100.00 H new ATOM 0 HH2 TRP A 44 23.439 18.003 9.537 1.00100.00 H new ATOM 680 N TYR A 45 15.300 14.073 4.824 1.00100.00 N ATOM 681 CA TYR A 45 14.785 12.769 4.493 1.00100.00 C ATOM 682 C TYR A 45 15.836 11.932 3.759 1.00100.00 C ATOM 683 O TYR A 45 16.045 10.788 4.180 1.00100.00 O ATOM 684 CB TYR A 45 13.411 12.859 3.764 1.00100.00 C ATOM 685 CG TYR A 45 12.776 11.502 3.568 1.00100.00 C ATOM 686 CD1 TYR A 45 12.322 10.787 4.681 1.00100.00 C ATOM 687 CD2 TYR A 45 12.665 10.949 2.285 1.00100.00 C ATOM 688 CE1 TYR A 45 11.772 9.508 4.524 1.00100.00 C ATOM 689 CE2 TYR A 45 12.116 9.671 2.114 1.00100.00 C ATOM 690 CZ TYR A 45 11.678 8.940 3.237 1.00100.00 C ATOM 691 OH TYR A 45 11.177 7.681 3.082 1.00100.00 O ATOM 0 H TYR A 45 14.817 14.847 4.368 1.00100.00 H new ATOM 0 HA TYR A 45 14.576 12.232 5.418 1.00100.00 H new ATOM 0 HB2 TYR A 45 12.737 13.493 4.340 1.00100.00 H new ATOM 0 HB3 TYR A 45 13.547 13.337 2.794 1.00100.00 H new ATOM 0 HD1 TYR A 45 12.396 11.223 5.666 1.00100.00 H new ATOM 0 HD2 TYR A 45 13.003 11.509 1.426 1.00100.00 H new ATOM 0 HE1 TYR A 45 11.421 8.959 5.386 1.00100.00 H new ATOM 0 HE2 TYR A 45 12.029 9.247 1.124 1.00100.00 H new ATOM 0 HH TYR A 45 10.340 7.722 2.574 1.00100.00 H new ATOM 701 N PRO A 46 16.551 12.441 2.690 1.00100.00 N ATOM 702 CA PRO A 46 17.579 11.676 2.018 1.00100.00 C ATOM 703 C PRO A 46 18.708 11.321 2.935 1.00100.00 C ATOM 704 O PRO A 46 19.212 10.206 2.830 1.00100.00 O ATOM 705 CB PRO A 46 18.014 12.485 0.795 1.00100.00 C ATOM 706 CG PRO A 46 17.592 13.910 1.151 1.00100.00 C ATOM 707 CD PRO A 46 16.371 13.730 2.053 1.00100.00 C ATOM 0 HA PRO A 46 17.193 10.710 1.692 1.00100.00 H new ATOM 0 HB2 PRO A 46 19.088 12.414 0.626 1.00100.00 H new ATOM 0 HB3 PRO A 46 17.525 12.135 -0.114 1.00100.00 H new ATOM 0 HG2 PRO A 46 18.391 14.444 1.665 1.00100.00 H new ATOM 0 HG3 PRO A 46 17.346 14.486 0.259 1.00100.00 H new ATOM 0 HD2 PRO A 46 16.307 14.528 2.792 1.00100.00 H new ATOM 0 HD3 PRO A 46 15.448 13.757 1.475 1.00100.00 H new ATOM 715 N GLU A 47 19.090 12.246 3.847 1.00100.00 N ATOM 716 CA GLU A 47 20.151 12.033 4.791 1.00100.00 C ATOM 717 C GLU A 47 19.838 10.915 5.732 1.00100.00 C ATOM 718 O GLU A 47 20.723 10.108 6.020 1.00100.00 O ATOM 719 CB GLU A 47 20.569 13.302 5.562 1.00100.00 C ATOM 720 CG GLU A 47 21.380 14.287 4.717 1.00100.00 C ATOM 721 CD GLU A 47 20.524 15.106 3.758 1.00100.00 C ATOM 722 OE1 GLU A 47 19.282 15.031 3.875 1.00100.00 O ATOM 723 OE2 GLU A 47 21.136 15.813 2.930 1.00100.00 O1- ATOM 0 H GLU A 47 18.650 13.162 3.928 1.00100.00 H new ATOM 0 HA GLU A 47 21.014 11.749 4.189 1.00100.00 H new ATOM 0 HB2 GLU A 47 19.675 13.803 5.933 1.00100.00 H new ATOM 0 HB3 GLU A 47 21.157 13.012 6.433 1.00100.00 H new ATOM 0 HG2 GLU A 47 21.920 14.964 5.379 1.00100.00 H new ATOM 0 HG3 GLU A 47 22.127 13.736 4.146 1.00100.00 H new ATOM 730 N GLU A 48 18.570 10.833 6.212 1.00100.00 N ATOM 731 CA GLU A 48 18.153 9.778 7.106 1.00100.00 C ATOM 732 C GLU A 48 18.263 8.439 6.428 1.00100.00 C ATOM 733 O GLU A 48 18.756 7.482 7.028 1.00100.00 O ATOM 734 CB GLU A 48 16.703 9.912 7.590 1.00100.00 C ATOM 735 CG GLU A 48 16.512 11.038 8.601 1.00100.00 C ATOM 736 CD GLU A 48 15.046 11.128 9.013 1.00100.00 C ATOM 737 OE1 GLU A 48 14.622 10.254 9.800 1.00100.00 O ATOM 738 OE2 GLU A 48 14.373 12.062 8.527 1.00100.00 O1- ATOM 0 H GLU A 48 17.833 11.499 5.980 1.00100.00 H new ATOM 0 HA GLU A 48 18.818 9.860 7.966 1.00100.00 H new ATOM 0 HB2 GLU A 48 16.055 10.088 6.732 1.00100.00 H new ATOM 0 HB3 GLU A 48 16.388 8.970 8.040 1.00100.00 H new ATOM 0 HG2 GLU A 48 17.134 10.859 9.478 1.00100.00 H new ATOM 0 HG3 GLU A 48 16.835 11.985 8.168 1.00100.00 H new ATOM 745 N LEU A 49 17.814 8.365 5.150 1.00100.00 N ATOM 746 CA LEU A 49 17.850 7.161 4.356 1.00100.00 C ATOM 747 C LEU A 49 19.254 6.691 4.085 1.00100.00 C ATOM 748 O LEU A 49 19.528 5.493 4.177 1.00100.00 O ATOM 749 CB LEU A 49 17.191 7.329 2.982 1.00100.00 C ATOM 750 CG LEU A 49 15.692 7.629 3.079 1.00100.00 C ATOM 751 CD1 LEU A 49 15.163 7.919 1.676 1.00100.00 C ATOM 752 CD2 LEU A 49 14.929 6.441 3.665 1.00100.00 C ATOM 0 H LEU A 49 17.416 9.164 4.656 1.00100.00 H new ATOM 0 HA LEU A 49 17.302 6.437 4.959 1.00100.00 H new ATOM 0 HB2 LEU A 49 17.685 8.137 2.443 1.00100.00 H new ATOM 0 HB3 LEU A 49 17.339 6.420 2.399 1.00100.00 H new ATOM 0 HG LEU A 49 15.546 8.487 3.735 1.00100.00 H new ATOM 0 HD11 LEU A 49 14.096 8.135 1.727 1.00100.00 H new ATOM 0 HD12 LEU A 49 15.688 8.779 1.260 1.00100.00 H new ATOM 0 HD13 LEU A 49 15.327 7.050 1.038 1.00100.00 H new ATOM 0 HD21 LEU A 49 13.868 6.683 3.722 1.00100.00 H new ATOM 0 HD22 LEU A 49 15.069 5.568 3.027 1.00100.00 H new ATOM 0 HD23 LEU A 49 15.306 6.224 4.664 1.00100.00 H new ATOM 764 N LEU A 50 20.169 7.635 3.761 1.00100.00 N ATOM 765 CA LEU A 50 21.542 7.325 3.448 1.00100.00 C ATOM 766 C LEU A 50 22.345 6.876 4.629 1.00100.00 C ATOM 767 O LEU A 50 22.367 7.515 5.683 1.00100.00 O ATOM 768 CB LEU A 50 22.319 8.511 2.846 1.00100.00 C ATOM 769 CG LEU A 50 21.791 8.878 1.459 1.00100.00 C ATOM 770 CD1 LEU A 50 22.403 10.211 1.036 1.00100.00 C ATOM 771 CD2 LEU A 50 22.164 7.807 0.434 1.00100.00 C ATOM 0 H LEU A 50 19.952 8.631 3.715 1.00100.00 H new ATOM 0 HA LEU A 50 21.438 6.518 2.723 1.00100.00 H new ATOM 0 HB2 LEU A 50 22.239 9.374 3.507 1.00100.00 H new ATOM 0 HB3 LEU A 50 23.377 8.258 2.779 1.00100.00 H new ATOM 0 HG LEU A 50 20.704 8.952 1.503 1.00100.00 H new ATOM 0 HD11 LEU A 50 22.034 10.484 0.047 1.00100.00 H new ATOM 0 HD12 LEU A 50 22.124 10.983 1.753 1.00100.00 H new ATOM 0 HD13 LEU A 50 23.489 10.119 1.005 1.00100.00 H new ATOM 0 HD21 LEU A 50 21.778 8.090 -0.545 1.00100.00 H new ATOM 0 HD22 LEU A 50 23.249 7.714 0.383 1.00100.00 H new ATOM 0 HD23 LEU A 50 21.732 6.852 0.732 1.00100.00 H new ATOM 783 N THR A 51 23.008 5.713 4.441 1.00100.00 N ATOM 784 CA THR A 51 23.871 5.087 5.409 1.00100.00 C ATOM 785 C THR A 51 25.088 5.969 5.607 1.00100.00 C ATOM 786 O THR A 51 25.491 6.227 6.744 1.00100.00 O ATOM 787 CB THR A 51 24.300 3.708 4.935 1.00100.00 C ATOM 788 OG1 THR A 51 23.157 2.902 4.749 1.00100.00 O ATOM 789 CG2 THR A 51 25.215 3.049 5.965 1.00100.00 C ATOM 0 H THR A 51 22.939 5.183 3.572 1.00100.00 H new ATOM 0 HA THR A 51 23.335 4.966 6.351 1.00100.00 H new ATOM 0 HB THR A 51 24.842 3.813 3.995 1.00100.00 H new ATOM 0 HG1 THR A 51 23.430 2.013 4.442 1.00100.00 H new ATOM 0 HG21 THR A 51 25.512 2.063 5.609 1.00100.00 H new ATOM 0 HG22 THR A 51 26.102 3.665 6.110 1.00100.00 H new ATOM 0 HG23 THR A 51 24.684 2.948 6.912 1.00100.00 H new ATOM 797 N ASP A 52 25.656 6.479 4.484 1.00100.00 N ATOM 798 CA ASP A 52 26.821 7.324 4.495 1.00100.00 C ATOM 799 C ASP A 52 26.422 8.654 3.942 1.00100.00 C ATOM 800 O ASP A 52 25.794 8.739 2.882 1.00100.00 O ATOM 801 CB ASP A 52 28.002 6.798 3.641 1.00100.00 C ATOM 802 CG ASP A 52 28.463 5.438 4.145 1.00100.00 C ATOM 803 OD1 ASP A 52 28.909 5.387 5.312 1.00100.00 O ATOM 804 OD2 ASP A 52 28.354 4.472 3.358 1.00100.00 O1- ATOM 0 H ASP A 52 25.294 6.298 3.548 1.00100.00 H new ATOM 0 HA ASP A 52 27.170 7.365 5.527 1.00100.00 H new ATOM 0 HB2 ASP A 52 27.697 6.721 2.597 1.00100.00 H new ATOM 0 HB3 ASP A 52 28.830 7.506 3.680 1.00100.00 H new ATOM 809 N GLY A 53 26.783 9.721 4.685 1.00100.00 N ATOM 810 CA GLY A 53 26.476 11.078 4.330 1.00100.00 C ATOM 811 C GLY A 53 27.602 11.833 3.698 1.00100.00 C ATOM 812 O GLY A 53 27.478 13.047 3.555 1.00100.00 O ATOM 0 H GLY A 53 27.304 9.638 5.558 1.00100.00 H new ATOM 0 HA2 GLY A 53 25.629 11.076 3.644 1.00100.00 H new ATOM 0 HA3 GLY A 53 26.159 11.610 5.227 1.00100.00 H new ATOM 816 N GLU A 54 28.706 11.157 3.292 1.00100.00 N ATOM 817 CA GLU A 54 29.852 11.813 2.704 1.00100.00 C ATOM 818 C GLU A 54 29.585 12.562 1.436 1.00100.00 C ATOM 819 O GLU A 54 30.096 13.672 1.281 1.00100.00 O ATOM 820 CB GLU A 54 31.043 10.868 2.474 1.00100.00 C ATOM 821 CG GLU A 54 31.746 10.580 3.800 1.00100.00 C ATOM 822 CD GLU A 54 32.400 11.838 4.364 1.00100.00 C ATOM 823 OE1 GLU A 54 33.117 12.506 3.588 1.00100.00 O ATOM 824 OE2 GLU A 54 32.174 12.111 5.562 1.00100.00 O1- ATOM 0 H GLU A 54 28.805 10.145 3.372 1.00100.00 H new ATOM 0 HA GLU A 54 30.107 12.548 3.468 1.00100.00 H new ATOM 0 HB2 GLU A 54 30.697 9.936 2.026 1.00100.00 H new ATOM 0 HB3 GLU A 54 31.744 11.318 1.771 1.00100.00 H new ATOM 0 HG2 GLU A 54 31.026 10.188 4.518 1.00100.00 H new ATOM 0 HG3 GLU A 54 32.502 9.809 3.653 1.00100.00 H new ATOM 831 N ASP A 55 28.813 11.977 0.494 1.00100.00 N ATOM 832 CA ASP A 55 28.492 12.653 -0.739 1.00100.00 C ATOM 833 C ASP A 55 27.621 13.853 -0.479 1.00100.00 C ATOM 834 O ASP A 55 27.899 14.941 -0.989 1.00100.00 O ATOM 835 CB ASP A 55 27.785 11.728 -1.755 1.00100.00 C ATOM 836 CG ASP A 55 28.624 10.490 -2.041 1.00100.00 C ATOM 837 OD1 ASP A 55 29.847 10.662 -2.237 1.00100.00 O ATOM 838 OD2 ASP A 55 28.027 9.391 -2.056 1.00100.00 O1- ATOM 0 H ASP A 55 28.412 11.043 0.582 1.00100.00 H new ATOM 0 HA ASP A 55 29.442 12.968 -1.171 1.00100.00 H new ATOM 0 HB2 ASP A 55 26.812 11.430 -1.365 1.00100.00 H new ATOM 0 HB3 ASP A 55 27.604 12.271 -2.682 1.00100.00 H new ATOM 843 N ASP A 56 26.566 13.674 0.358 1.00100.00 N ATOM 844 CA ASP A 56 25.663 14.744 0.686 1.00100.00 C ATOM 845 C ASP A 56 26.053 15.501 1.925 1.00100.00 C ATOM 846 O ASP A 56 25.315 15.538 2.914 1.00100.00 O ATOM 847 CB ASP A 56 24.172 14.310 0.739 1.00100.00 C ATOM 848 CG ASP A 56 23.718 13.775 -0.613 1.00100.00 C ATOM 849 OD1 ASP A 56 23.830 14.543 -1.593 1.00100.00 O1- ATOM 850 OD2 ASP A 56 23.267 12.611 -0.642 1.00100.00 O ATOM 0 H ASP A 56 26.342 12.785 0.806 1.00100.00 H new ATOM 0 HA ASP A 56 25.759 15.435 -0.152 1.00100.00 H new ATOM 0 HB2 ASP A 56 24.038 13.544 1.502 1.00100.00 H new ATOM 0 HB3 ASP A 56 23.551 15.158 1.027 1.00100.00 H new ATOM 855 N VAL A 57 27.249 16.130 1.896 1.00100.00 N ATOM 856 CA VAL A 57 27.709 16.922 3.010 1.00100.00 C ATOM 857 C VAL A 57 28.505 18.073 2.446 1.00100.00 C ATOM 858 O VAL A 57 29.011 18.010 1.321 1.00100.00 O ATOM 859 CB VAL A 57 28.506 16.150 4.082 1.00100.00 C ATOM 860 CG1 VAL A 57 29.938 15.879 3.626 1.00100.00 C ATOM 861 CG2 VAL A 57 28.544 16.914 5.405 1.00100.00 C ATOM 0 H VAL A 57 27.895 16.092 1.108 1.00100.00 H new ATOM 0 HA VAL A 57 26.832 17.269 3.556 1.00100.00 H new ATOM 0 HB VAL A 57 27.991 15.201 4.229 1.00100.00 H new ATOM 0 HG11 VAL A 57 30.471 15.334 4.405 1.00100.00 H new ATOM 0 HG12 VAL A 57 29.923 15.284 2.713 1.00100.00 H new ATOM 0 HG13 VAL A 57 30.444 16.825 3.435 1.00100.00 H new ATOM 0 HG21 VAL A 57 29.113 16.343 6.139 1.00100.00 H new ATOM 0 HG22 VAL A 57 29.019 17.883 5.252 1.00100.00 H new ATOM 0 HG23 VAL A 57 27.527 17.062 5.769 1.00100.00 H new ATOM 871 N PHE A 58 28.593 19.169 3.231 1.00100.00 N ATOM 872 CA PHE A 58 29.328 20.364 2.902 1.00100.00 C ATOM 873 C PHE A 58 30.798 20.035 3.041 1.00100.00 C ATOM 874 O PHE A 58 31.170 19.156 3.822 1.00100.00 O ATOM 875 CB PHE A 58 29.017 21.528 3.870 1.00100.00 C ATOM 876 CG PHE A 58 27.552 21.890 3.892 1.00100.00 C ATOM 877 CD1 PHE A 58 26.686 21.247 4.786 1.00100.00 C ATOM 878 CD2 PHE A 58 27.054 22.852 3.003 1.00100.00 C ATOM 879 CE1 PHE A 58 25.322 21.568 4.795 1.00100.00 C ATOM 880 CE2 PHE A 58 25.690 23.175 3.011 1.00100.00 C ATOM 881 CZ PHE A 58 24.824 22.533 3.908 1.00100.00 C ATOM 0 H PHE A 58 28.130 19.226 4.138 1.00100.00 H new ATOM 0 HA PHE A 58 29.051 20.676 1.895 1.00100.00 H new ATOM 0 HB2 PHE A 58 29.335 21.254 4.876 1.00100.00 H new ATOM 0 HB3 PHE A 58 29.599 22.403 3.579 1.00100.00 H new ATOM 0 HD1 PHE A 58 27.070 20.503 5.469 1.00100.00 H new ATOM 0 HD2 PHE A 58 27.721 23.345 2.311 1.00100.00 H new ATOM 0 HE1 PHE A 58 24.655 21.072 5.485 1.00100.00 H new ATOM 0 HE2 PHE A 58 25.306 23.918 2.327 1.00100.00 H new ATOM 0 HZ PHE A 58 23.773 22.782 3.916 1.00100.00 H new ATOM 891 N ASP A 59 31.666 20.757 2.294 1.00100.00 N ATOM 892 CA ASP A 59 33.095 20.526 2.313 1.00100.00 C ATOM 893 C ASP A 59 33.775 20.719 3.655 1.00100.00 C ATOM 894 O ASP A 59 34.580 19.849 3.999 1.00100.00 O ATOM 895 CB ASP A 59 33.883 21.318 1.233 1.00100.00 C ATOM 896 CG ASP A 59 33.322 21.041 -0.156 1.00100.00 C ATOM 897 OD1 ASP A 59 33.200 19.843 -0.491 1.00100.00 O ATOM 898 OD2 ASP A 59 33.020 22.032 -0.855 1.00100.00 O1- ATOM 0 H ASP A 59 31.377 21.510 1.669 1.00100.00 H new ATOM 0 HA ASP A 59 33.137 19.463 2.077 1.00100.00 H new ATOM 0 HB2 ASP A 59 33.829 22.386 1.446 1.00100.00 H new ATOM 0 HB3 ASP A 59 34.936 21.039 1.267 1.00100.00 H new ATOM 903 N PRO A 60 33.486 21.791 4.470 1.00100.00 N ATOM 904 CA PRO A 60 34.132 21.985 5.751 1.00100.00 C ATOM 905 C PRO A 60 33.916 20.892 6.757 1.00100.00 C ATOM 906 O PRO A 60 34.823 20.684 7.566 1.00100.00 O ATOM 907 CB PRO A 60 33.630 23.325 6.288 1.00100.00 C ATOM 908 CG PRO A 60 33.155 24.052 5.030 1.00100.00 C ATOM 909 CD PRO A 60 32.644 22.920 4.141 1.00100.00 C ATOM 0 HA PRO A 60 35.210 21.968 5.591 1.00100.00 H new ATOM 0 HB2 PRO A 60 32.821 23.193 7.006 1.00100.00 H new ATOM 0 HB3 PRO A 60 34.421 23.876 6.797 1.00100.00 H new ATOM 0 HG2 PRO A 60 32.369 24.773 5.255 1.00100.00 H new ATOM 0 HG3 PRO A 60 33.966 24.603 4.553 1.00100.00 H new ATOM 0 HD2 PRO A 60 31.594 22.703 4.339 1.00100.00 H new ATOM 0 HD3 PRO A 60 32.722 23.179 3.085 1.00100.00 H new ATOM 917 N ASP A 61 32.752 20.200 6.735 1.00100.00 N ATOM 918 CA ASP A 61 32.494 19.171 7.708 1.00100.00 C ATOM 919 C ASP A 61 32.520 17.814 7.088 1.00100.00 C ATOM 920 O ASP A 61 31.834 17.558 6.098 1.00100.00 O ATOM 921 CB ASP A 61 31.121 19.315 8.413 1.00100.00 C ATOM 922 CG ASP A 61 31.011 20.662 9.113 1.00100.00 C ATOM 923 OD1 ASP A 61 31.820 20.888 10.038 1.00100.00 O ATOM 924 OD2 ASP A 61 30.124 21.443 8.706 1.00100.00 O1- ATOM 0 H ASP A 61 32.004 20.349 6.058 1.00100.00 H new ATOM 0 HA ASP A 61 33.290 19.288 8.443 1.00100.00 H new ATOM 0 HB2 ASP A 61 30.319 19.214 7.682 1.00100.00 H new ATOM 0 HB3 ASP A 61 30.994 18.512 9.139 1.00100.00 H new ATOM 929 N LEU A 62 33.349 16.914 7.666 1.00100.00 N ATOM 930 CA LEU A 62 33.447 15.559 7.194 1.00100.00 C ATOM 931 C LEU A 62 32.908 14.672 8.271 1.00100.00 C ATOM 932 O LEU A 62 33.400 14.651 9.405 1.00100.00 O ATOM 933 CB LEU A 62 34.867 15.093 6.803 1.00100.00 C ATOM 934 CG LEU A 62 35.453 15.967 5.691 1.00100.00 C ATOM 935 CD1 LEU A 62 36.877 15.499 5.398 1.00100.00 C ATOM 936 CD2 LEU A 62 34.621 15.867 4.412 1.00100.00 C ATOM 0 H LEU A 62 33.952 17.126 8.461 1.00100.00 H new ATOM 0 HA LEU A 62 32.875 15.504 6.268 1.00100.00 H new ATOM 0 HB2 LEU A 62 35.517 15.129 7.677 1.00100.00 H new ATOM 0 HB3 LEU A 62 34.833 14.055 6.473 1.00100.00 H new ATOM 0 HG LEU A 62 35.447 17.005 6.023 1.00100.00 H new ATOM 0 HD11 LEU A 62 37.307 16.114 4.607 1.00100.00 H new ATOM 0 HD12 LEU A 62 37.483 15.592 6.299 1.00100.00 H new ATOM 0 HD13 LEU A 62 36.859 14.457 5.078 1.00100.00 H new ATOM 0 HD21 LEU A 62 35.062 16.499 3.641 1.00100.00 H new ATOM 0 HD22 LEU A 62 34.605 14.833 4.069 1.00100.00 H new ATOM 0 HD23 LEU A 62 33.602 16.198 4.614 1.00100.00 H new ATOM 948 N ASP A 63 31.858 13.914 7.890 1.00100.00 N ATOM 949 CA ASP A 63 31.142 13.001 8.740 1.00100.00 C ATOM 950 C ASP A 63 31.998 11.887 9.250 1.00100.00 C ATOM 951 O ASP A 63 31.895 11.541 10.425 1.00100.00 O ATOM 952 CB ASP A 63 29.926 12.352 8.038 1.00100.00 C ATOM 953 CG ASP A 63 28.766 13.323 7.834 1.00100.00 C ATOM 954 OD1 ASP A 63 28.803 14.412 8.446 1.00100.00 O ATOM 955 OD2 ASP A 63 27.850 12.946 7.070 1.00100.00 O1- ATOM 0 H ASP A 63 31.489 13.939 6.940 1.00100.00 H new ATOM 0 HA ASP A 63 30.807 13.625 9.568 1.00100.00 H new ATOM 0 HB2 ASP A 63 30.239 11.960 7.070 1.00100.00 H new ATOM 0 HB3 ASP A 63 29.582 11.503 8.630 1.00100.00 H new ATOM 960 N MET A 64 32.860 11.298 8.383 1.00100.00 N ATOM 961 CA MET A 64 33.723 10.208 8.779 1.00100.00 C ATOM 962 C MET A 64 34.708 10.615 9.829 1.00100.00 C ATOM 963 O MET A 64 34.881 9.909 10.824 1.00100.00 O ATOM 964 CB MET A 64 34.534 9.568 7.634 1.00100.00 C ATOM 965 CG MET A 64 33.592 8.929 6.616 1.00100.00 C ATOM 966 SD MET A 64 34.443 8.048 5.279 1.00100.00 S ATOM 967 CE MET A 64 35.350 9.431 4.543 1.00100.00 C ATOM 0 H MET A 64 32.960 11.577 7.407 1.00100.00 H new ATOM 0 HA MET A 64 33.015 9.471 9.158 1.00100.00 H new ATOM 0 HB2 MET A 64 35.149 10.325 7.147 1.00100.00 H new ATOM 0 HB3 MET A 64 35.213 8.815 8.035 1.00100.00 H new ATOM 0 HG2 MET A 64 32.932 8.233 7.134 1.00100.00 H new ATOM 0 HG3 MET A 64 32.961 9.705 6.183 1.00100.00 H new ATOM 0 HE1 MET A 64 35.332 9.341 3.457 1.00100.00 H new ATOM 0 HE2 MET A 64 34.882 10.371 4.837 1.00100.00 H new ATOM 0 HE3 MET A 64 36.383 9.415 4.891 1.00100.00 H new ATOM 977 N GLU A 65 35.296 11.819 9.661 1.00100.00 N ATOM 978 CA GLU A 65 36.274 12.357 10.561 1.00100.00 C ATOM 979 C GLU A 65 35.760 12.632 11.944 1.00100.00 C ATOM 980 O GLU A 65 36.439 12.290 12.915 1.00100.00 O ATOM 981 CB GLU A 65 36.906 13.661 10.029 1.00100.00 C ATOM 982 CG GLU A 65 37.540 13.431 8.657 1.00100.00 C ATOM 983 CD GLU A 65 38.605 12.344 8.715 1.00100.00 C ATOM 984 OE1 GLU A 65 39.630 12.589 9.386 1.00100.00 O ATOM 985 OE2 GLU A 65 38.369 11.285 8.093 1.00100.00 O1- ATOM 0 H GLU A 65 35.084 12.435 8.876 1.00100.00 H new ATOM 0 HA GLU A 65 37.020 11.565 10.623 1.00100.00 H new ATOM 0 HB2 GLU A 65 36.145 14.438 9.958 1.00100.00 H new ATOM 0 HB3 GLU A 65 37.661 14.018 10.729 1.00100.00 H new ATOM 0 HG2 GLU A 65 36.769 13.150 7.940 1.00100.00 H new ATOM 0 HG3 GLU A 65 37.984 14.360 8.299 1.00100.00 H new ATOM 992 N VAL A 66 34.537 13.210 12.065 1.00100.00 N ATOM 993 CA VAL A 66 34.014 13.551 13.367 1.00100.00 C ATOM 994 C VAL A 66 32.886 12.615 13.699 1.00100.00 C ATOM 995 O VAL A 66 31.914 12.495 12.957 1.00100.00 O ATOM 996 CB VAL A 66 33.525 15.000 13.434 1.00100.00 C ATOM 997 CG1 VAL A 66 33.055 15.337 14.849 1.00100.00 C ATOM 998 CG2 VAL A 66 34.657 15.949 13.044 1.00100.00 C ATOM 0 H VAL A 66 33.924 13.436 11.282 1.00100.00 H new ATOM 0 HA VAL A 66 34.821 13.451 14.093 1.00100.00 H new ATOM 0 HB VAL A 66 32.692 15.116 12.741 1.00100.00 H new ATOM 0 HG11 VAL A 66 32.710 16.371 14.881 1.00100.00 H new ATOM 0 HG12 VAL A 66 32.237 14.673 15.129 1.00100.00 H new ATOM 0 HG13 VAL A 66 33.882 15.208 15.547 1.00100.00 H new ATOM 0 HG21 VAL A 66 34.302 16.978 13.094 1.00100.00 H new ATOM 0 HG22 VAL A 66 35.493 15.820 13.731 1.00100.00 H new ATOM 0 HG23 VAL A 66 34.984 15.727 12.028 1.00100.00 H new ATOM 1008 N VAL A 67 33.024 11.919 14.851 1.00100.00 N ATOM 1009 CA VAL A 67 32.057 10.976 15.371 1.00100.00 C ATOM 1010 C VAL A 67 30.771 11.702 15.728 1.00100.00 C ATOM 1011 O VAL A 67 29.677 11.219 15.431 1.00100.00 O ATOM 1012 CB VAL A 67 32.623 10.213 16.565 1.00100.00 C ATOM 1013 CG1 VAL A 67 31.583 9.232 17.106 1.00100.00 C ATOM 1014 CG2 VAL A 67 33.872 9.437 16.145 1.00100.00 C ATOM 0 H VAL A 67 33.844 12.015 15.449 1.00100.00 H new ATOM 0 HA VAL A 67 31.831 10.239 14.600 1.00100.00 H new ATOM 0 HB VAL A 67 32.882 10.931 17.343 1.00100.00 H new ATOM 0 HG11 VAL A 67 31.999 8.694 17.958 1.00100.00 H new ATOM 0 HG12 VAL A 67 30.695 9.780 17.422 1.00100.00 H new ATOM 0 HG13 VAL A 67 31.312 8.522 16.325 1.00100.00 H new ATOM 0 HG21 VAL A 67 34.270 8.895 17.003 1.00100.00 H new ATOM 0 HG22 VAL A 67 33.613 8.729 15.357 1.00100.00 H new ATOM 0 HG23 VAL A 67 34.625 10.133 15.774 1.00100.00 H new ATOM 1024 N PHE A 68 30.895 12.895 16.357 1.00100.00 N ATOM 1025 CA PHE A 68 29.780 13.709 16.768 1.00100.00 C ATOM 1026 C PHE A 68 29.106 14.336 15.584 1.00100.00 C ATOM 1027 O PHE A 68 29.758 14.705 14.605 1.00100.00 O ATOM 1028 CB PHE A 68 30.184 14.851 17.727 1.00100.00 C ATOM 1029 CG PHE A 68 30.792 14.342 19.012 1.00100.00 C ATOM 1030 CD1 PHE A 68 32.175 14.128 19.096 1.00100.00 C ATOM 1031 CD2 PHE A 68 29.971 14.060 20.111 1.00100.00 C ATOM 1032 CE1 PHE A 68 32.737 13.637 20.281 1.00100.00 C ATOM 1033 CE2 PHE A 68 30.533 13.569 21.298 1.00100.00 C ATOM 1034 CZ PHE A 68 31.916 13.358 21.383 1.00100.00 C ATOM 0 H PHE A 68 31.800 13.306 16.587 1.00100.00 H new ATOM 0 HA PHE A 68 29.107 13.029 17.290 1.00100.00 H new ATOM 0 HB2 PHE A 68 30.897 15.506 17.226 1.00100.00 H new ATOM 0 HB3 PHE A 68 29.306 15.454 17.959 1.00100.00 H new ATOM 0 HD1 PHE A 68 32.807 14.342 18.247 1.00100.00 H new ATOM 0 HD2 PHE A 68 28.905 14.221 20.044 1.00100.00 H new ATOM 0 HE1 PHE A 68 33.803 13.473 20.346 1.00100.00 H new ATOM 0 HE2 PHE A 68 29.900 13.353 22.146 1.00100.00 H new ATOM 0 HZ PHE A 68 32.349 12.980 22.297 1.00100.00 H new ATOM 1044 N GLU A 69 27.759 14.453 15.673 1.00100.00 N ATOM 1045 CA GLU A 69 26.888 15.028 14.673 1.00100.00 C ATOM 1046 C GLU A 69 27.040 14.414 13.300 1.00100.00 C ATOM 1047 O GLU A 69 27.025 15.109 12.280 1.00100.00 O ATOM 1048 CB GLU A 69 26.986 16.576 14.595 1.00100.00 C ATOM 1049 CG GLU A 69 26.689 17.193 15.960 1.00100.00 C ATOM 1050 CD GLU A 69 26.769 18.712 15.895 1.00100.00 C ATOM 1051 OE1 GLU A 69 27.884 19.231 16.122 1.00100.00 O ATOM 1052 OE2 GLU A 69 25.716 19.324 15.618 1.00100.00 O1- ATOM 0 H GLU A 69 27.246 14.127 16.492 1.00100.00 H new ATOM 0 HA GLU A 69 25.886 14.776 15.022 1.00100.00 H new ATOM 0 HB2 GLU A 69 27.983 16.868 14.265 1.00100.00 H new ATOM 0 HB3 GLU A 69 26.281 16.955 13.855 1.00100.00 H new ATOM 0 HG2 GLU A 69 25.696 16.890 16.293 1.00100.00 H new ATOM 0 HG3 GLU A 69 27.400 16.818 16.696 1.00100.00 H new ATOM 1059 N THR A 70 27.181 13.068 13.252 1.00100.00 N ATOM 1060 CA THR A 70 27.312 12.364 12.004 1.00100.00 C ATOM 1061 C THR A 70 25.917 12.194 11.474 1.00100.00 C ATOM 1062 O THR A 70 25.004 11.789 12.199 1.00100.00 O ATOM 1063 CB THR A 70 28.012 11.025 12.134 1.00100.00 C ATOM 1064 OG1 THR A 70 29.357 11.243 12.499 1.00100.00 O ATOM 1065 CG2 THR A 70 27.953 10.258 10.817 1.00100.00 C ATOM 0 H THR A 70 27.204 12.469 14.077 1.00100.00 H new ATOM 0 HA THR A 70 27.943 12.937 11.325 1.00100.00 H new ATOM 0 HB THR A 70 27.510 10.433 12.899 1.00100.00 H new ATOM 0 HG1 THR A 70 29.437 11.232 13.476 1.00100.00 H new ATOM 0 HG21 THR A 70 28.461 9.300 10.931 1.00100.00 H new ATOM 0 HG22 THR A 70 26.912 10.087 10.542 1.00100.00 H new ATOM 0 HG23 THR A 70 28.444 10.838 10.036 1.00100.00 H new ATOM 1073 N GLN A 71 25.740 12.549 10.183 1.00100.00 N ATOM 1074 CA GLN A 71 24.471 12.448 9.513 1.00100.00 C ATOM 1075 C GLN A 71 24.260 10.971 9.150 1.00100.00 C ATOM 1076 O GLN A 71 23.171 10.440 9.486 1.00100.00 O ATOM 1077 CB GLN A 71 24.386 13.233 8.185 1.00100.00 C ATOM 1078 CG GLN A 71 24.939 14.654 8.255 1.00100.00 C ATOM 1079 CD GLN A 71 24.934 15.281 6.863 1.00100.00 C ATOM 1080 OE1 GLN A 71 24.166 16.202 6.593 1.00100.00 O ATOM 1081 NE2 GLN A 71 25.784 14.771 5.967 1.00100.00 N ATOM 1082 OXT GLN A 71 25.191 10.397 8.544 1.00100.00 O1- ATOM 0 H GLN A 71 26.489 12.912 9.594 1.00100.00 H new ATOM 0 HA GLN A 71 23.727 12.862 10.193 1.00100.00 H new ATOM 0 HB2 GLN A 71 24.929 12.683 7.417 1.00100.00 H new ATOM 0 HB3 GLN A 71 23.344 13.277 7.869 1.00100.00 H new ATOM 0 HG2 GLN A 71 24.337 15.255 8.937 1.00100.00 H new ATOM 0 HG3 GLN A 71 25.953 14.640 8.654 1.00100.00 H new ATOM 0 HE21 GLN A 71 26.405 14.006 6.231 1.00100.00 H new ATOM 0 HE22 GLN A 71 25.812 15.146 5.019 1.00100.00 H new TER 1091 GLN A 71 HETATM 1092 ZN ZN A 101 -0.602 -0.128 0.569 1.00 73.25 ZN