USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 518 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 29 SER OG : rot -51:sc= -2.37 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -150:sc= 0.0832 (180deg=-0.0214) USER MOD Set 2.1: A 18 GLN : amide:sc= -7.54! C(o=-9.9!,f=-11!) USER MOD Set 2.2: A 37 GLN : amide:sc= -2.41 X(o=-9.9,f=-9.6) USER MOD Set 2.3: A 41 GLN : amide:sc= 0.0668 K(o=-9.9,f=-11) USER MOD Set 3.1: A 31 MET CE :methyl -134:sc= -5.24 (180deg=-6.59!) USER MOD Set 3.2: A 39 CYS SG : rot -159:sc= -1.95 USER MOD Set 4.1: A 28 GLN : amide:sc= -7.32! C(o=-9!,f=-13!) USER MOD Set 4.2: A 47 TYR OH : rot -49:sc= -1.69! USER MOD Set 5.1: A 26 SER OG : rot -130:sc= -0.0833 USER MOD Set 5.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 140:sc= -0.176 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.91 USER MOD Single : A 19 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.5!) USER MOD Single : A 21 MET CE :methyl -128:sc= -0.986 (180deg=-4.09!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.9!) USER MOD Single : A 36 SER OG : rot -114:sc= -0.101 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -7.92! C(o=-7.9!,f=-14!) USER MOD Single : A 44 ASN : amide:sc= -0.964 X(o=-0.96,f=-0.57) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 54:sc= -1.11! USER MOD Single : A 52 GLN : amide:sc= -4.15! C(o=-4.1!,f=-13!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -2.67 K(o=-2.7,f=-3.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 30.037 -9.256 -19.239 1.00 0.00 N ATOM 2 CA PRO A 2 29.457 -10.234 -18.278 1.00 0.00 C ATOM 3 C PRO A 2 30.250 -10.296 -16.971 1.00 0.00 C ATOM 4 O PRO A 2 31.285 -10.956 -16.893 1.00 0.00 O ATOM 5 CB PRO A 2 29.458 -11.599 -18.960 1.00 0.00 C ATOM 6 CG PRO A 2 29.987 -11.332 -20.331 1.00 0.00 C ATOM 7 CD PRO A 2 30.762 -10.039 -20.250 1.00 0.00 C ATOM 0 HA PRO A 2 28.446 -9.924 -18.013 1.00 0.00 H new ATOM 0 HB2 PRO A 2 30.086 -12.310 -18.424 1.00 0.00 H new ATOM 0 HB3 PRO A 2 28.455 -12.025 -18.997 1.00 0.00 H new ATOM 0 HG2 PRO A 2 30.628 -12.148 -20.665 1.00 0.00 H new ATOM 0 HG3 PRO A 2 29.173 -11.251 -21.051 1.00 0.00 H new ATOM 0 HD2 PRO A 2 31.797 -10.211 -19.955 1.00 0.00 H new ATOM 0 HD3 PRO A 2 30.785 -9.526 -21.212 1.00 0.00 H new ATOM 17 N ALA A 3 29.754 -9.605 -15.951 1.00 0.00 N ATOM 18 CA ALA A 3 30.414 -9.582 -14.651 1.00 0.00 C ATOM 19 C ALA A 3 29.629 -8.737 -13.651 1.00 0.00 C ATOM 20 O ALA A 3 29.162 -9.242 -12.631 1.00 0.00 O ATOM 21 CB ALA A 3 31.834 -9.054 -14.790 1.00 0.00 C ATOM 0 H ALA A 3 28.897 -9.053 -15.999 1.00 0.00 H new ATOM 0 HA ALA A 3 30.453 -10.603 -14.273 1.00 0.00 H new ATOM 0 HB1 ALA A 3 32.315 -9.042 -13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 3 32.398 -9.699 -15.464 1.00 0.00 H new ATOM 0 HB3 ALA A 3 31.808 -8.042 -15.194 1.00 0.00 H new ATOM 27 N PRO A 4 29.474 -7.430 -13.932 1.00 0.00 N ATOM 28 CA PRO A 4 28.740 -6.516 -13.051 1.00 0.00 C ATOM 29 C PRO A 4 27.241 -6.792 -13.049 1.00 0.00 C ATOM 30 O PRO A 4 26.611 -6.843 -11.993 1.00 0.00 O ATOM 31 CB PRO A 4 29.029 -5.137 -13.651 1.00 0.00 C ATOM 32 CG PRO A 4 29.325 -5.402 -15.086 1.00 0.00 C ATOM 33 CD PRO A 4 29.999 -6.746 -15.129 1.00 0.00 C ATOM 0 HA PRO A 4 29.049 -6.617 -12.011 1.00 0.00 H new ATOM 0 HB2 PRO A 4 28.174 -4.470 -13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 4 29.873 -4.658 -13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 4 28.410 -5.405 -15.679 1.00 0.00 H new ATOM 0 HG3 PRO A 4 29.971 -4.628 -15.501 1.00 0.00 H new ATOM 0 HD2 PRO A 4 29.754 -7.289 -16.042 1.00 0.00 H new ATOM 0 HD3 PRO A 4 31.084 -6.653 -15.095 1.00 0.00 H new ATOM 41 N THR A 5 26.676 -6.969 -14.239 1.00 0.00 N ATOM 42 CA THR A 5 25.248 -7.239 -14.374 1.00 0.00 C ATOM 43 C THR A 5 24.424 -6.209 -13.608 1.00 0.00 C ATOM 44 O THR A 5 24.185 -6.358 -12.410 1.00 0.00 O ATOM 45 CB THR A 5 24.926 -8.646 -13.868 1.00 0.00 C ATOM 46 OG1 THR A 5 26.109 -9.413 -13.728 1.00 0.00 O ATOM 47 CG2 THR A 5 23.989 -9.409 -14.780 1.00 0.00 C ATOM 0 H THR A 5 27.184 -6.931 -15.123 1.00 0.00 H new ATOM 0 HA THR A 5 24.988 -7.171 -15.430 1.00 0.00 H new ATOM 0 HB THR A 5 24.434 -8.501 -12.906 1.00 0.00 H new ATOM 0 HG1 THR A 5 25.881 -10.309 -13.402 1.00 0.00 H new ATOM 0 HG21 THR A 5 23.802 -10.399 -14.363 1.00 0.00 H new ATOM 0 HG22 THR A 5 23.047 -8.868 -14.868 1.00 0.00 H new ATOM 0 HG23 THR A 5 24.443 -9.510 -15.766 1.00 0.00 H new ATOM 55 N PRO A 6 23.974 -5.143 -14.293 1.00 0.00 N ATOM 56 CA PRO A 6 23.171 -4.086 -13.671 1.00 0.00 C ATOM 57 C PRO A 6 21.970 -4.640 -12.912 1.00 0.00 C ATOM 58 O PRO A 6 21.805 -4.386 -11.721 1.00 0.00 O ATOM 59 CB PRO A 6 22.709 -3.241 -14.861 1.00 0.00 C ATOM 60 CG PRO A 6 23.741 -3.470 -15.910 1.00 0.00 C ATOM 61 CD PRO A 6 24.212 -4.886 -15.727 1.00 0.00 C ATOM 0 HA PRO A 6 23.741 -3.526 -12.930 1.00 0.00 H new ATOM 0 HB2 PRO A 6 21.721 -3.547 -15.204 1.00 0.00 H new ATOM 0 HB3 PRO A 6 22.642 -2.186 -14.595 1.00 0.00 H new ATOM 0 HG2 PRO A 6 23.324 -3.323 -16.906 1.00 0.00 H new ATOM 0 HG3 PRO A 6 24.567 -2.767 -15.804 1.00 0.00 H new ATOM 0 HD2 PRO A 6 23.655 -5.579 -16.357 1.00 0.00 H new ATOM 0 HD3 PRO A 6 25.265 -4.996 -15.986 1.00 0.00 H new ATOM 69 N SER A 7 21.134 -5.400 -13.614 1.00 0.00 N ATOM 70 CA SER A 7 19.948 -5.992 -13.007 1.00 0.00 C ATOM 71 C SER A 7 19.046 -4.914 -12.412 1.00 0.00 C ATOM 72 O SER A 7 19.335 -3.722 -12.517 1.00 0.00 O ATOM 73 CB SER A 7 20.349 -6.992 -11.922 1.00 0.00 C ATOM 74 OG SER A 7 19.740 -8.253 -12.139 1.00 0.00 O ATOM 0 H SER A 7 21.257 -5.620 -14.603 1.00 0.00 H new ATOM 0 HA SER A 7 19.395 -6.515 -13.787 1.00 0.00 H new ATOM 0 HB2 SER A 7 21.433 -7.106 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 7 20.058 -6.608 -10.944 1.00 0.00 H new ATOM 0 HG SER A 7 20.014 -8.875 -11.433 1.00 0.00 H new ATOM 80 N SER A 8 17.955 -5.343 -11.787 1.00 0.00 N ATOM 81 CA SER A 8 17.010 -4.414 -11.176 1.00 0.00 C ATOM 82 C SER A 8 17.309 -4.234 -9.691 1.00 0.00 C ATOM 83 O SER A 8 17.008 -5.105 -8.876 1.00 0.00 O ATOM 84 CB SER A 8 15.577 -4.916 -11.361 1.00 0.00 C ATOM 85 OG SER A 8 15.354 -5.344 -12.695 1.00 0.00 O ATOM 0 H SER A 8 17.703 -6.327 -11.690 1.00 0.00 H new ATOM 0 HA SER A 8 17.116 -3.449 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 8 15.386 -5.741 -10.674 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.875 -4.122 -11.108 1.00 0.00 H new ATOM 0 HG SER A 8 14.431 -5.662 -12.787 1.00 0.00 H new ATOM 91 N SER A 9 17.904 -3.096 -9.347 1.00 0.00 N ATOM 92 CA SER A 9 18.244 -2.801 -7.961 1.00 0.00 C ATOM 93 C SER A 9 19.048 -3.941 -7.341 1.00 0.00 C ATOM 94 O SER A 9 18.514 -4.745 -6.578 1.00 0.00 O ATOM 95 CB SER A 9 16.974 -2.555 -7.143 1.00 0.00 C ATOM 96 OG SER A 9 17.276 -2.387 -5.769 1.00 0.00 O ATOM 0 H SER A 9 18.160 -2.364 -10.009 1.00 0.00 H new ATOM 0 HA SER A 9 18.857 -1.900 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.463 -1.668 -7.517 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.289 -3.394 -7.268 1.00 0.00 H new ATOM 0 HG SER A 9 16.718 -1.673 -5.396 1.00 0.00 H new ATOM 102 N PRO A 10 20.351 -4.026 -7.665 1.00 0.00 N ATOM 103 CA PRO A 10 21.228 -5.075 -7.135 1.00 0.00 C ATOM 104 C PRO A 10 21.512 -4.897 -5.648 1.00 0.00 C ATOM 105 O PRO A 10 21.869 -5.850 -4.956 1.00 0.00 O ATOM 106 CB PRO A 10 22.514 -4.908 -7.949 1.00 0.00 C ATOM 107 CG PRO A 10 22.512 -3.479 -8.368 1.00 0.00 C ATOM 108 CD PRO A 10 21.069 -3.107 -8.568 1.00 0.00 C ATOM 0 HA PRO A 10 20.778 -6.064 -7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.395 -5.144 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 10 22.526 -5.574 -8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.975 -2.849 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.081 -3.341 -9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 10 20.883 -2.064 -8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.760 -3.239 -9.605 1.00 0.00 H new ATOM 116 N VAL A 11 21.350 -3.671 -5.162 1.00 0.00 N ATOM 117 CA VAL A 11 21.588 -3.368 -3.757 1.00 0.00 C ATOM 118 C VAL A 11 20.549 -2.386 -3.221 1.00 0.00 C ATOM 119 O VAL A 11 20.841 -1.207 -3.023 1.00 0.00 O ATOM 120 CB VAL A 11 22.994 -2.779 -3.539 1.00 0.00 C ATOM 121 CG1 VAL A 11 23.176 -1.514 -4.364 1.00 0.00 C ATOM 122 CG2 VAL A 11 23.234 -2.501 -2.063 1.00 0.00 C ATOM 0 H VAL A 11 21.055 -2.871 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 11 21.508 -4.310 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 11 23.730 -3.511 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 11 24.175 -1.112 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 11 23.051 -1.748 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 11 22.433 -0.775 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 11 24.233 -2.085 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.493 -1.788 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 11 23.149 -3.430 -1.499 1.00 0.00 H new ATOM 132 N PRO A 12 19.315 -2.861 -2.980 1.00 0.00 N ATOM 133 CA PRO A 12 18.231 -2.019 -2.464 1.00 0.00 C ATOM 134 C PRO A 12 18.460 -1.603 -1.015 1.00 0.00 C ATOM 135 O PRO A 12 19.399 -2.065 -0.367 1.00 0.00 O ATOM 136 CB PRO A 12 16.998 -2.917 -2.574 1.00 0.00 C ATOM 137 CG PRO A 12 17.535 -4.305 -2.518 1.00 0.00 C ATOM 138 CD PRO A 12 18.881 -4.256 -3.187 1.00 0.00 C ATOM 0 HA PRO A 12 18.144 -1.084 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.298 -2.730 -1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 12 16.459 -2.738 -3.505 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.624 -4.648 -1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 12 16.870 -5.001 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.578 -4.964 -2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.812 -4.502 -4.247 1.00 0.00 H new ATOM 146 N THR A 13 17.596 -0.728 -0.513 1.00 0.00 N ATOM 147 CA THR A 13 17.703 -0.249 0.860 1.00 0.00 C ATOM 148 C THR A 13 16.677 0.845 1.138 1.00 0.00 C ATOM 149 O THR A 13 16.782 1.955 0.617 1.00 0.00 O ATOM 150 CB THR A 13 19.113 0.279 1.130 1.00 0.00 C ATOM 151 OG1 THR A 13 19.154 1.002 2.347 1.00 0.00 O ATOM 152 CG2 THR A 13 19.630 1.190 0.038 1.00 0.00 C ATOM 0 H THR A 13 16.813 -0.336 -1.037 1.00 0.00 H new ATOM 0 HA THR A 13 17.502 -1.088 1.526 1.00 0.00 H new ATOM 0 HB THR A 13 19.748 -0.606 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 13 20.064 1.330 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.634 1.529 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.659 0.646 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.970 2.052 -0.060 1.00 0.00 H new ATOM 160 N LEU A 14 15.684 0.523 1.961 1.00 0.00 N ATOM 161 CA LEU A 14 14.638 1.478 2.307 1.00 0.00 C ATOM 162 C LEU A 14 15.184 2.578 3.216 1.00 0.00 C ATOM 163 O LEU A 14 16.390 2.816 3.266 1.00 0.00 O ATOM 164 CB LEU A 14 13.469 0.760 2.989 1.00 0.00 C ATOM 165 CG LEU A 14 12.093 0.975 2.344 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.017 0.299 3.167 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.778 2.450 2.161 1.00 0.00 C ATOM 0 H LEU A 14 15.582 -0.392 2.400 1.00 0.00 H new ATOM 0 HA LEU A 14 14.281 1.941 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.681 -0.309 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.419 1.089 4.027 1.00 0.00 H new ATOM 0 HG LEU A 14 12.118 0.523 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.046 0.459 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.220 -0.770 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.009 0.721 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.795 2.558 1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.781 2.946 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.531 2.906 1.518 1.00 0.00 H new ATOM 179 N SER A 15 14.279 3.247 3.919 1.00 0.00 N ATOM 180 CA SER A 15 14.635 4.337 4.819 1.00 0.00 C ATOM 181 C SER A 15 13.361 4.934 5.414 1.00 0.00 C ATOM 182 O SER A 15 12.286 4.378 5.235 1.00 0.00 O ATOM 183 CB SER A 15 15.430 5.397 4.046 1.00 0.00 C ATOM 184 OG SER A 15 14.583 6.430 3.573 1.00 0.00 O ATOM 0 H SER A 15 13.279 3.050 3.882 1.00 0.00 H new ATOM 0 HA SER A 15 15.258 3.966 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.199 5.821 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.942 4.930 3.205 1.00 0.00 H new ATOM 0 HG SER A 15 15.116 7.093 3.086 1.00 0.00 H new ATOM 190 N PRO A 16 13.448 6.069 6.129 1.00 0.00 N ATOM 191 CA PRO A 16 12.264 6.704 6.719 1.00 0.00 C ATOM 192 C PRO A 16 11.115 6.810 5.715 1.00 0.00 C ATOM 193 O PRO A 16 9.944 6.858 6.096 1.00 0.00 O ATOM 194 CB PRO A 16 12.779 8.089 7.112 1.00 0.00 C ATOM 195 CG PRO A 16 14.227 7.873 7.390 1.00 0.00 C ATOM 196 CD PRO A 16 14.682 6.820 6.423 1.00 0.00 C ATOM 0 HA PRO A 16 11.854 6.138 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.631 8.812 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.258 8.474 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.792 8.796 7.256 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.383 7.551 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.109 7.260 5.522 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.448 6.179 6.859 1.00 0.00 H new ATOM 204 N GLU A 17 11.464 6.822 4.427 1.00 0.00 N ATOM 205 CA GLU A 17 10.497 6.895 3.339 1.00 0.00 C ATOM 206 C GLU A 17 9.307 5.988 3.610 1.00 0.00 C ATOM 207 O GLU A 17 8.149 6.377 3.464 1.00 0.00 O ATOM 208 CB GLU A 17 11.234 6.488 2.037 1.00 0.00 C ATOM 209 CG GLU A 17 10.538 5.472 1.101 1.00 0.00 C ATOM 210 CD GLU A 17 10.529 5.939 -0.340 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.742 6.854 -0.663 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.308 5.390 -1.147 1.00 0.00 O ATOM 0 H GLU A 17 12.433 6.781 4.111 1.00 0.00 H new ATOM 0 HA GLU A 17 10.101 7.906 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.426 7.395 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.204 6.076 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.048 4.511 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.513 5.313 1.437 1.00 0.00 H new ATOM 219 N GLN A 18 9.631 4.765 3.958 1.00 0.00 N ATOM 220 CA GLN A 18 8.645 3.744 4.208 1.00 0.00 C ATOM 221 C GLN A 18 7.541 4.211 5.122 1.00 0.00 C ATOM 222 O GLN A 18 6.371 3.993 4.852 1.00 0.00 O ATOM 223 CB GLN A 18 9.301 2.522 4.823 1.00 0.00 C ATOM 224 CG GLN A 18 8.387 1.321 4.852 1.00 0.00 C ATOM 225 CD GLN A 18 8.690 0.382 6.004 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.523 -0.514 5.885 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.017 0.590 7.129 1.00 0.00 N ATOM 0 H GLN A 18 10.594 4.450 4.076 1.00 0.00 H new ATOM 0 HA GLN A 18 8.203 3.499 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.200 2.275 4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.617 2.757 5.839 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.353 1.658 4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.479 0.777 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.335 1.346 7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.182 -0.006 7.940 1.00 0.00 H new ATOM 236 N GLN A 19 7.918 4.823 6.216 1.00 0.00 N ATOM 237 CA GLN A 19 6.940 5.290 7.184 1.00 0.00 C ATOM 238 C GLN A 19 6.220 6.518 6.666 1.00 0.00 C ATOM 239 O GLN A 19 5.070 6.769 7.024 1.00 0.00 O ATOM 240 CB GLN A 19 7.600 5.581 8.532 1.00 0.00 C ATOM 241 CG GLN A 19 6.615 5.657 9.687 1.00 0.00 C ATOM 242 CD GLN A 19 7.090 4.893 10.908 1.00 0.00 C ATOM 243 OE1 GLN A 19 7.825 3.912 10.794 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.670 5.341 12.087 1.00 0.00 N ATOM 0 H GLN A 19 8.889 5.012 6.464 1.00 0.00 H new ATOM 0 HA GLN A 19 6.206 4.498 7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.335 4.804 8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.143 6.524 8.466 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.455 6.701 9.956 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.652 5.259 9.366 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.061 6.158 12.135 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.956 4.868 12.944 1.00 0.00 H new ATOM 253 N GLU A 20 6.885 7.269 5.799 1.00 0.00 N ATOM 254 CA GLU A 20 6.271 8.448 5.218 1.00 0.00 C ATOM 255 C GLU A 20 4.965 8.044 4.548 1.00 0.00 C ATOM 256 O GLU A 20 3.931 8.684 4.734 1.00 0.00 O ATOM 257 CB GLU A 20 7.209 9.103 4.202 1.00 0.00 C ATOM 258 CG GLU A 20 8.565 9.475 4.780 1.00 0.00 C ATOM 259 CD GLU A 20 8.532 10.777 5.554 1.00 0.00 C ATOM 260 OE1 GLU A 20 7.497 11.474 5.500 1.00 0.00 O ATOM 261 OE2 GLU A 20 9.540 11.100 6.217 1.00 0.00 O ATOM 0 H GLU A 20 7.838 7.084 5.487 1.00 0.00 H new ATOM 0 HA GLU A 20 6.071 9.175 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.355 8.423 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.733 10.000 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.908 8.675 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.291 9.556 3.971 1.00 0.00 H new ATOM 268 N MET A 21 5.030 6.972 3.761 1.00 0.00 N ATOM 269 CA MET A 21 3.883 6.468 3.053 1.00 0.00 C ATOM 270 C MET A 21 3.018 5.539 3.888 1.00 0.00 C ATOM 271 O MET A 21 1.858 5.833 4.134 1.00 0.00 O ATOM 272 CB MET A 21 4.407 5.702 1.875 1.00 0.00 C ATOM 273 CG MET A 21 4.863 6.593 0.752 1.00 0.00 C ATOM 274 SD MET A 21 6.317 7.574 1.143 1.00 0.00 S ATOM 275 CE MET A 21 6.197 8.815 -0.147 1.00 0.00 C ATOM 0 H MET A 21 5.884 6.437 3.604 1.00 0.00 H new ATOM 0 HA MET A 21 3.252 7.312 2.773 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.240 5.076 2.196 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.629 5.033 1.508 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.076 5.978 -0.122 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.048 7.263 0.479 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.145 8.877 -0.682 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.405 8.540 -0.843 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.968 9.783 0.299 1.00 0.00 H new ATOM 285 N LEU A 22 3.593 4.397 4.263 1.00 0.00 N ATOM 286 CA LEU A 22 2.902 3.349 5.024 1.00 0.00 C ATOM 287 C LEU A 22 1.769 3.879 5.901 1.00 0.00 C ATOM 288 O LEU A 22 0.727 3.238 6.021 1.00 0.00 O ATOM 289 CB LEU A 22 3.899 2.573 5.886 1.00 0.00 C ATOM 290 CG LEU A 22 4.397 1.261 5.279 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.245 0.496 6.282 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.223 0.412 4.815 1.00 0.00 C ATOM 0 H LEU A 22 4.563 4.168 4.046 1.00 0.00 H new ATOM 0 HA LEU A 22 2.448 2.689 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.759 3.213 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.433 2.357 6.848 1.00 0.00 H new ATOM 0 HG LEU A 22 5.018 1.495 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.590 -0.435 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.105 1.102 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.649 0.272 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.594 -0.518 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.578 0.188 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.654 0.958 4.062 1.00 0.00 H new ATOM 304 N GLN A 23 1.965 5.043 6.509 1.00 0.00 N ATOM 305 CA GLN A 23 0.932 5.624 7.358 1.00 0.00 C ATOM 306 C GLN A 23 -0.270 6.042 6.520 1.00 0.00 C ATOM 307 O GLN A 23 -1.386 5.571 6.739 1.00 0.00 O ATOM 308 CB GLN A 23 1.469 6.832 8.127 1.00 0.00 C ATOM 309 CG GLN A 23 0.399 7.557 8.929 1.00 0.00 C ATOM 310 CD GLN A 23 0.449 9.060 8.742 1.00 0.00 C ATOM 311 OE1 GLN A 23 -0.423 9.646 8.100 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.472 9.693 9.304 1.00 0.00 N ATOM 0 H GLN A 23 2.818 5.597 6.432 1.00 0.00 H new ATOM 0 HA GLN A 23 0.623 4.865 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.259 6.503 8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.922 7.530 7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.583 7.190 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.521 7.322 9.986 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.172 9.167 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.558 10.705 9.212 1.00 0.00 H new ATOM 321 N ALA A 24 -0.033 6.924 5.553 1.00 0.00 N ATOM 322 CA ALA A 24 -1.096 7.398 4.679 1.00 0.00 C ATOM 323 C ALA A 24 -1.550 6.310 3.705 1.00 0.00 C ATOM 324 O ALA A 24 -2.527 6.487 2.978 1.00 0.00 O ATOM 325 CB ALA A 24 -0.627 8.627 3.923 1.00 0.00 C ATOM 0 H ALA A 24 0.885 7.323 5.357 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.954 7.661 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.425 8.979 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.365 9.412 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.247 8.374 3.323 1.00 0.00 H new ATOM 331 N PHE A 25 -0.842 5.181 3.697 1.00 0.00 N ATOM 332 CA PHE A 25 -1.172 4.069 2.828 1.00 0.00 C ATOM 333 C PHE A 25 -1.945 3.005 3.599 1.00 0.00 C ATOM 334 O PHE A 25 -2.664 2.195 3.020 1.00 0.00 O ATOM 335 CB PHE A 25 0.105 3.483 2.240 1.00 0.00 C ATOM 336 CG PHE A 25 -0.101 2.763 0.940 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.835 1.588 0.885 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.433 3.269 -0.234 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.031 0.936 -0.314 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.242 2.616 -1.433 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.493 1.449 -1.470 1.00 0.00 C ATOM 0 H PHE A 25 -0.029 5.019 4.292 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.804 4.426 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.826 4.286 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.543 2.793 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.258 1.179 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.005 4.185 -0.210 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.607 0.023 -0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.667 3.017 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.646 0.938 -2.409 1.00 0.00 H new ATOM 351 N SER A 26 -1.828 3.026 4.917 1.00 0.00 N ATOM 352 CA SER A 26 -2.558 2.078 5.728 1.00 0.00 C ATOM 353 C SER A 26 -4.044 2.389 5.605 1.00 0.00 C ATOM 354 O SER A 26 -4.887 1.492 5.620 1.00 0.00 O ATOM 355 CB SER A 26 -2.080 2.137 7.183 1.00 0.00 C ATOM 356 OG SER A 26 -3.114 2.547 8.066 1.00 0.00 O ATOM 0 H SER A 26 -1.243 3.680 5.437 1.00 0.00 H new ATOM 0 HA SER A 26 -2.378 1.061 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.714 1.156 7.484 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.241 2.828 7.261 1.00 0.00 H new ATOM 0 HG SER A 26 -2.787 3.271 8.639 1.00 0.00 H new ATOM 362 N THR A 27 -4.344 3.676 5.443 1.00 0.00 N ATOM 363 CA THR A 27 -5.715 4.132 5.269 1.00 0.00 C ATOM 364 C THR A 27 -6.001 4.442 3.792 1.00 0.00 C ATOM 365 O THR A 27 -7.067 4.959 3.456 1.00 0.00 O ATOM 366 CB THR A 27 -5.977 5.373 6.124 1.00 0.00 C ATOM 367 OG1 THR A 27 -5.159 5.366 7.280 1.00 0.00 O ATOM 368 CG2 THR A 27 -7.414 5.495 6.579 1.00 0.00 C ATOM 0 H THR A 27 -3.649 4.423 5.429 1.00 0.00 H new ATOM 0 HA THR A 27 -6.382 3.333 5.592 1.00 0.00 H new ATOM 0 HB THR A 27 -5.745 6.221 5.480 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.339 6.168 7.813 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.530 6.397 7.181 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.068 5.553 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.682 4.623 7.176 1.00 0.00 H new ATOM 376 N GLN A 28 -5.043 4.121 2.912 1.00 0.00 N ATOM 377 CA GLN A 28 -5.194 4.359 1.475 1.00 0.00 C ATOM 378 C GLN A 28 -6.546 3.848 0.994 1.00 0.00 C ATOM 379 O GLN A 28 -7.463 4.631 0.752 1.00 0.00 O ATOM 380 CB GLN A 28 -4.059 3.670 0.707 1.00 0.00 C ATOM 381 CG GLN A 28 -3.398 4.531 -0.355 1.00 0.00 C ATOM 382 CD GLN A 28 -3.033 5.913 0.151 1.00 0.00 C ATOM 383 OE1 GLN A 28 -1.932 6.125 0.654 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.953 6.862 0.020 1.00 0.00 N ATOM 0 H GLN A 28 -4.154 3.695 3.174 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.144 5.432 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.299 3.348 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.453 2.771 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.498 4.031 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.070 4.627 -1.208 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.855 6.643 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.758 7.810 0.343 1.00 0.00 H new ATOM 393 N SER A 29 -6.679 2.528 0.888 1.00 0.00 N ATOM 394 CA SER A 29 -7.938 1.934 0.472 1.00 0.00 C ATOM 395 C SER A 29 -8.503 1.057 1.587 1.00 0.00 C ATOM 396 O SER A 29 -9.283 0.139 1.333 1.00 0.00 O ATOM 397 CB SER A 29 -7.784 1.108 -0.802 1.00 0.00 C ATOM 398 OG SER A 29 -9.021 1.003 -1.483 1.00 0.00 O ATOM 0 H SER A 29 -5.935 1.858 1.083 1.00 0.00 H new ATOM 0 HA SER A 29 -8.628 2.751 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.043 1.570 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.414 0.113 -0.554 1.00 0.00 H new ATOM 0 HG SER A 29 -9.715 0.708 -0.857 1.00 0.00 H new ATOM 404 N GLY A 30 -8.090 1.339 2.822 1.00 0.00 N ATOM 405 CA GLY A 30 -8.549 0.561 3.958 1.00 0.00 C ATOM 406 C GLY A 30 -7.588 -0.561 4.322 1.00 0.00 C ATOM 407 O GLY A 30 -7.917 -1.427 5.132 1.00 0.00 O ATOM 0 H GLY A 30 -7.445 2.094 3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.676 1.219 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.528 0.138 3.733 1.00 0.00 H new ATOM 411 N MET A 31 -6.400 -0.550 3.716 1.00 0.00 N ATOM 412 CA MET A 31 -5.393 -1.576 3.971 1.00 0.00 C ATOM 413 C MET A 31 -4.945 -1.575 5.431 1.00 0.00 C ATOM 414 O MET A 31 -5.548 -0.919 6.280 1.00 0.00 O ATOM 415 CB MET A 31 -4.183 -1.354 3.065 1.00 0.00 C ATOM 416 CG MET A 31 -3.720 -2.607 2.343 1.00 0.00 C ATOM 417 SD MET A 31 -2.388 -2.273 1.176 1.00 0.00 S ATOM 418 CE MET A 31 -1.923 -3.933 0.698 1.00 0.00 C ATOM 0 H MET A 31 -6.113 0.161 3.044 1.00 0.00 H new ATOM 0 HA MET A 31 -5.844 -2.545 3.756 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.429 -0.590 2.327 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.359 -0.965 3.664 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.383 -3.341 3.075 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.563 -3.050 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.837 -4.027 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.364 -4.648 1.392 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.284 -4.136 -0.310 1.00 0.00 H new ATOM 428 N ASN A 32 -3.875 -2.319 5.708 1.00 0.00 N ATOM 429 CA ASN A 32 -3.326 -2.415 7.057 1.00 0.00 C ATOM 430 C ASN A 32 -2.061 -1.575 7.194 1.00 0.00 C ATOM 431 O ASN A 32 -1.782 -0.719 6.358 1.00 0.00 O ATOM 432 CB ASN A 32 -3.025 -3.860 7.390 1.00 0.00 C ATOM 433 CG ASN A 32 -3.760 -4.360 8.608 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.758 -3.783 9.038 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.255 -5.447 9.167 1.00 0.00 N ATOM 0 H ASN A 32 -3.370 -2.866 5.011 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.068 -2.030 7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.287 -4.484 6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.953 -3.972 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.696 -5.846 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.425 -5.886 8.769 1.00 0.00 H new ATOM 442 N LEU A 33 -1.293 -1.832 8.246 1.00 0.00 N ATOM 443 CA LEU A 33 -0.053 -1.099 8.479 1.00 0.00 C ATOM 444 C LEU A 33 1.156 -1.989 8.216 1.00 0.00 C ATOM 445 O LEU A 33 2.171 -1.895 8.907 1.00 0.00 O ATOM 446 CB LEU A 33 -0.007 -0.567 9.914 1.00 0.00 C ATOM 447 CG LEU A 33 0.421 0.898 10.055 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.591 1.212 9.134 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.749 1.826 9.766 1.00 0.00 C ATOM 0 H LEU A 33 -1.505 -2.540 8.949 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.023 -0.256 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.995 -0.684 10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.679 -1.186 10.492 1.00 0.00 H new ATOM 0 HG LEU A 33 0.745 1.059 11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.877 2.257 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.437 0.574 9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.299 1.030 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.426 2.862 9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.104 1.658 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.556 1.624 10.470 1.00 0.00 H new ATOM 461 N GLU A 34 1.040 -2.854 7.214 1.00 0.00 N ATOM 462 CA GLU A 34 2.129 -3.764 6.864 1.00 0.00 C ATOM 463 C GLU A 34 2.042 -4.235 5.416 1.00 0.00 C ATOM 464 O GLU A 34 3.066 -4.385 4.748 1.00 0.00 O ATOM 465 CB GLU A 34 2.143 -4.968 7.807 1.00 0.00 C ATOM 466 CG GLU A 34 0.958 -5.900 7.620 1.00 0.00 C ATOM 467 CD GLU A 34 1.156 -7.239 8.304 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.312 -7.255 9.544 1.00 0.00 O ATOM 469 OE2 GLU A 34 1.155 -8.271 7.602 1.00 0.00 O ATOM 0 H GLU A 34 0.208 -2.945 6.631 1.00 0.00 H new ATOM 0 HA GLU A 34 3.060 -3.208 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.064 -5.530 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.156 -4.612 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.060 -5.424 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.792 -6.061 6.555 1.00 0.00 H new ATOM 476 N TRP A 35 0.830 -4.443 4.920 1.00 0.00 N ATOM 477 CA TRP A 35 0.658 -4.865 3.535 1.00 0.00 C ATOM 478 C TRP A 35 0.820 -3.656 2.624 1.00 0.00 C ATOM 479 O TRP A 35 1.211 -3.778 1.463 1.00 0.00 O ATOM 480 CB TRP A 35 -0.709 -5.513 3.300 1.00 0.00 C ATOM 481 CG TRP A 35 -1.196 -6.375 4.419 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.597 -5.992 5.659 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.346 -7.777 4.372 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.009 -7.078 6.382 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.851 -8.194 5.611 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.099 -8.710 3.391 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.112 -9.526 5.890 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.360 -10.041 3.666 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.861 -10.437 4.907 1.00 0.00 C ATOM 0 H TRP A 35 -0.037 -4.329 5.445 1.00 0.00 H new ATOM 0 HA TRP A 35 1.417 -5.614 3.310 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.442 -4.726 3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.659 -6.115 2.392 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.591 -4.975 6.022 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.372 -7.058 7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.710 -8.410 2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.500 -9.831 6.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.173 -10.786 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.053 -11.484 5.092 1.00 0.00 H new ATOM 500 N SER A 36 0.516 -2.482 3.176 1.00 0.00 N ATOM 501 CA SER A 36 0.619 -1.230 2.448 1.00 0.00 C ATOM 502 C SER A 36 2.054 -0.968 1.995 1.00 0.00 C ATOM 503 O SER A 36 2.275 -0.342 0.959 1.00 0.00 O ATOM 504 CB SER A 36 0.112 -0.086 3.328 1.00 0.00 C ATOM 505 OG SER A 36 0.485 -0.277 4.681 1.00 0.00 O ATOM 0 H SER A 36 0.193 -2.378 4.138 1.00 0.00 H new ATOM 0 HA SER A 36 0.002 -1.296 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.515 0.860 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.973 -0.019 3.253 1.00 0.00 H new ATOM 0 HG SER A 36 -0.318 -0.424 5.224 1.00 0.00 H new ATOM 511 N GLN A 37 3.030 -1.450 2.767 1.00 0.00 N ATOM 512 CA GLN A 37 4.432 -1.254 2.414 1.00 0.00 C ATOM 513 C GLN A 37 4.755 -1.915 1.075 1.00 0.00 C ATOM 514 O GLN A 37 5.451 -1.337 0.240 1.00 0.00 O ATOM 515 CB GLN A 37 5.357 -1.811 3.501 1.00 0.00 C ATOM 516 CG GLN A 37 6.827 -1.787 3.108 1.00 0.00 C ATOM 517 CD GLN A 37 7.759 -2.111 4.259 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.319 -2.350 5.383 1.00 0.00 O ATOM 519 NE2 GLN A 37 9.057 -2.120 3.978 1.00 0.00 N ATOM 0 H GLN A 37 2.876 -1.972 3.630 1.00 0.00 H new ATOM 0 HA GLN A 37 4.600 -0.181 2.327 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.223 -1.232 4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.065 -2.836 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.993 -2.502 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.075 -0.801 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.375 -1.916 3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.736 -2.331 4.709 1.00 0.00 H new ATOM 528 N LYS A 38 4.253 -3.131 0.878 1.00 0.00 N ATOM 529 CA LYS A 38 4.496 -3.863 -0.361 1.00 0.00 C ATOM 530 C LYS A 38 3.965 -3.089 -1.558 1.00 0.00 C ATOM 531 O LYS A 38 4.586 -3.064 -2.620 1.00 0.00 O ATOM 532 CB LYS A 38 3.849 -5.247 -0.299 1.00 0.00 C ATOM 533 CG LYS A 38 4.777 -6.373 -0.729 1.00 0.00 C ATOM 534 CD LYS A 38 5.124 -7.283 0.437 1.00 0.00 C ATOM 535 CE LYS A 38 6.359 -8.120 0.141 1.00 0.00 C ATOM 536 NZ LYS A 38 6.081 -9.181 -0.866 1.00 0.00 N ATOM 0 H LYS A 38 3.678 -3.629 1.558 1.00 0.00 H new ATOM 0 HA LYS A 38 5.573 -3.984 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.511 -5.435 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.964 -5.254 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.302 -6.956 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.691 -5.953 -1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.295 -6.682 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.281 -7.940 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.157 -7.473 -0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.716 -8.579 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.947 -9.730 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.337 -9.813 -0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.764 -8.742 -1.754 1.00 0.00 H new ATOM 550 N CYS A 39 2.817 -2.452 -1.377 1.00 0.00 N ATOM 551 CA CYS A 39 2.209 -1.664 -2.440 1.00 0.00 C ATOM 552 C CYS A 39 3.071 -0.449 -2.759 1.00 0.00 C ATOM 553 O CYS A 39 3.039 0.076 -3.872 1.00 0.00 O ATOM 554 CB CYS A 39 0.806 -1.214 -2.029 1.00 0.00 C ATOM 555 SG CYS A 39 -0.313 -2.573 -1.615 1.00 0.00 S ATOM 0 H CYS A 39 2.288 -2.465 -0.505 1.00 0.00 H new ATOM 0 HA CYS A 39 2.134 -2.286 -3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.887 -0.549 -1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.370 -0.633 -2.841 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.544 -2.167 -1.712 1.00 0.00 H new ATOM 561 N LEU A 40 3.841 -0.006 -1.769 1.00 0.00 N ATOM 562 CA LEU A 40 4.714 1.148 -1.928 1.00 0.00 C ATOM 563 C LEU A 40 6.151 0.743 -2.220 1.00 0.00 C ATOM 564 O LEU A 40 7.063 1.561 -2.130 1.00 0.00 O ATOM 565 CB LEU A 40 4.692 1.990 -0.671 1.00 0.00 C ATOM 566 CG LEU A 40 3.372 2.677 -0.385 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.128 2.709 1.089 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.383 4.082 -0.937 1.00 0.00 C ATOM 0 H LEU A 40 3.876 -0.433 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 40 4.339 1.719 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.946 1.355 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.471 2.749 -0.746 1.00 0.00 H new ATOM 0 HG LEU A 40 2.571 2.118 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.178 3.204 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.095 1.690 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.933 3.257 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.429 4.564 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.188 4.650 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.540 4.048 -2.015 1.00 0.00 H new ATOM 580 N GLN A 41 6.355 -0.513 -2.558 1.00 0.00 N ATOM 581 CA GLN A 41 7.691 -0.995 -2.862 1.00 0.00 C ATOM 582 C GLN A 41 7.805 -1.379 -4.338 1.00 0.00 C ATOM 583 O GLN A 41 8.907 -1.539 -4.861 1.00 0.00 O ATOM 584 CB GLN A 41 8.051 -2.180 -1.964 1.00 0.00 C ATOM 585 CG GLN A 41 8.284 -1.793 -0.513 1.00 0.00 C ATOM 586 CD GLN A 41 9.741 -1.903 -0.107 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.599 -1.194 -0.631 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.026 -2.798 0.831 1.00 0.00 N ATOM 0 H GLN A 41 5.620 -1.217 -2.630 1.00 0.00 H new ATOM 0 HA GLN A 41 8.399 -0.190 -2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.250 -2.918 -2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.949 -2.660 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.943 -0.770 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.682 -2.434 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.282 -3.365 1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.989 -2.919 1.145 1.00 0.00 H new ATOM 597 N ASP A 42 6.660 -1.508 -5.011 1.00 0.00 N ATOM 598 CA ASP A 42 6.638 -1.850 -6.427 1.00 0.00 C ATOM 599 C ASP A 42 6.707 -0.585 -7.275 1.00 0.00 C ATOM 600 O ASP A 42 7.304 -0.575 -8.351 1.00 0.00 O ATOM 601 CB ASP A 42 5.369 -2.635 -6.767 1.00 0.00 C ATOM 602 CG ASP A 42 5.519 -4.120 -6.501 1.00 0.00 C ATOM 603 OD1 ASP A 42 5.265 -4.547 -5.356 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.892 -4.856 -7.439 1.00 0.00 O ATOM 0 H ASP A 42 5.738 -1.380 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 42 7.506 -2.473 -6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.536 -2.246 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.120 -2.480 -7.817 1.00 0.00 H new ATOM 609 N ASN A 43 6.091 0.483 -6.774 1.00 0.00 N ATOM 610 CA ASN A 43 6.080 1.763 -7.473 1.00 0.00 C ATOM 611 C ASN A 43 7.191 2.687 -6.971 1.00 0.00 C ATOM 612 O ASN A 43 7.420 3.754 -7.538 1.00 0.00 O ATOM 613 CB ASN A 43 4.718 2.436 -7.320 1.00 0.00 C ATOM 614 CG ASN A 43 3.629 1.694 -8.071 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.056 2.211 -9.030 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.339 0.472 -7.636 1.00 0.00 N ATOM 0 H ASN A 43 5.592 0.486 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 43 6.264 1.568 -8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.457 2.490 -6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.777 3.461 -7.686 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.616 -0.077 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.840 0.083 -6.837 1.00 0.00 H new ATOM 623 N ASN A 44 7.893 2.260 -5.916 1.00 0.00 N ATOM 624 CA ASN A 44 9.001 3.028 -5.343 1.00 0.00 C ATOM 625 C ASN A 44 8.531 4.095 -4.360 1.00 0.00 C ATOM 626 O ASN A 44 9.165 5.143 -4.236 1.00 0.00 O ATOM 627 CB ASN A 44 9.853 3.675 -6.438 1.00 0.00 C ATOM 628 CG ASN A 44 11.199 4.144 -5.919 1.00 0.00 C ATOM 629 OD1 ASN A 44 12.090 3.339 -5.652 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.352 5.456 -5.772 1.00 0.00 N ATOM 0 H ASN A 44 7.710 1.378 -5.438 1.00 0.00 H new ATOM 0 HA ASN A 44 9.609 2.312 -4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.007 2.959 -7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.314 4.523 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.235 5.831 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.586 6.088 -6.006 1.00 0.00 H new ATOM 637 N TRP A 45 7.453 3.821 -3.628 1.00 0.00 N ATOM 638 CA TRP A 45 6.972 4.758 -2.629 1.00 0.00 C ATOM 639 C TRP A 45 6.518 6.087 -3.216 1.00 0.00 C ATOM 640 O TRP A 45 6.474 7.093 -2.509 1.00 0.00 O ATOM 641 CB TRP A 45 8.071 4.974 -1.599 1.00 0.00 C ATOM 642 CG TRP A 45 8.420 3.695 -0.925 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.361 2.782 -1.305 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.779 3.157 0.223 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.339 1.712 -0.446 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.374 1.928 0.500 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.757 3.609 1.047 1.00 0.00 C ATOM 648 CZ2 TRP A 45 7.972 1.145 1.564 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.353 2.833 2.101 1.00 0.00 C ATOM 650 CH2 TRP A 45 6.958 1.616 2.354 1.00 0.00 C ATOM 0 H TRP A 45 6.904 2.965 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 45 6.087 4.325 -2.164 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.955 5.388 -2.085 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.743 5.703 -0.858 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.022 2.886 -2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.942 0.891 -0.503 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.286 4.562 0.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.441 0.194 1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.553 3.176 2.741 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.623 1.024 3.193 1.00 0.00 H new ATOM 661 N ASP A 46 6.139 6.093 -4.488 1.00 0.00 N ATOM 662 CA ASP A 46 5.648 7.320 -5.100 1.00 0.00 C ATOM 663 C ASP A 46 4.442 7.800 -4.314 1.00 0.00 C ATOM 664 O ASP A 46 4.246 8.996 -4.104 1.00 0.00 O ATOM 665 CB ASP A 46 5.279 7.092 -6.567 1.00 0.00 C ATOM 666 CG ASP A 46 6.456 7.310 -7.499 1.00 0.00 C ATOM 667 OD1 ASP A 46 7.582 6.912 -7.137 1.00 0.00 O ATOM 668 OD2 ASP A 46 6.249 7.878 -8.593 1.00 0.00 O ATOM 0 H ASP A 46 6.161 5.281 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 46 6.432 8.077 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.904 6.076 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.469 7.767 -6.844 1.00 0.00 H new ATOM 673 N TYR A 47 3.662 6.821 -3.866 1.00 0.00 N ATOM 674 CA TYR A 47 2.465 7.030 -3.061 1.00 0.00 C ATOM 675 C TYR A 47 1.221 7.163 -3.914 1.00 0.00 C ATOM 676 O TYR A 47 0.128 6.759 -3.513 1.00 0.00 O ATOM 677 CB TYR A 47 2.576 8.249 -2.156 1.00 0.00 C ATOM 678 CG TYR A 47 1.418 8.344 -1.203 1.00 0.00 C ATOM 679 CD1 TYR A 47 1.399 7.592 -0.041 1.00 0.00 C ATOM 680 CD2 TYR A 47 0.338 9.172 -1.473 1.00 0.00 C ATOM 681 CE1 TYR A 47 0.343 7.661 0.832 1.00 0.00 C ATOM 682 CE2 TYR A 47 -0.728 9.251 -0.601 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.723 8.493 0.552 1.00 0.00 C ATOM 684 OH TYR A 47 -1.786 8.561 1.427 1.00 0.00 O ATOM 0 H TYR A 47 3.850 5.837 -4.058 1.00 0.00 H new ATOM 0 HA TYR A 47 2.378 6.140 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.508 8.199 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.620 9.151 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.230 6.939 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.332 9.762 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.345 7.067 1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.561 9.902 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.077 7.654 1.660 1.00 0.00 H new ATOM 694 N THR A 48 1.389 7.739 -5.084 1.00 0.00 N ATOM 695 CA THR A 48 0.274 7.941 -5.992 1.00 0.00 C ATOM 696 C THR A 48 0.183 6.796 -6.993 1.00 0.00 C ATOM 697 O THR A 48 -0.910 6.377 -7.377 1.00 0.00 O ATOM 698 CB THR A 48 0.420 9.272 -6.730 1.00 0.00 C ATOM 699 OG1 THR A 48 0.757 10.311 -5.828 1.00 0.00 O ATOM 700 CG2 THR A 48 -0.836 9.691 -7.464 1.00 0.00 C ATOM 0 H THR A 48 2.286 8.077 -5.432 1.00 0.00 H new ATOM 0 HA THR A 48 -0.644 7.964 -5.405 1.00 0.00 H new ATOM 0 HB THR A 48 1.212 9.111 -7.461 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.848 11.154 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.664 10.643 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.095 8.933 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.654 9.799 -6.752 1.00 0.00 H new ATOM 708 N ARG A 49 1.340 6.293 -7.410 1.00 0.00 N ATOM 709 CA ARG A 49 1.392 5.193 -8.363 1.00 0.00 C ATOM 710 C ARG A 49 1.284 3.855 -7.649 1.00 0.00 C ATOM 711 O ARG A 49 0.766 2.886 -8.204 1.00 0.00 O ATOM 712 CB ARG A 49 2.685 5.254 -9.178 1.00 0.00 C ATOM 713 CG ARG A 49 2.457 5.283 -10.680 1.00 0.00 C ATOM 714 CD ARG A 49 1.678 4.066 -11.149 1.00 0.00 C ATOM 715 NE ARG A 49 1.595 3.997 -12.606 1.00 0.00 N ATOM 716 CZ ARG A 49 0.777 4.749 -13.333 1.00 0.00 C ATOM 717 NH1 ARG A 49 -0.026 5.623 -12.741 1.00 0.00 N ATOM 718 NH2 ARG A 49 0.760 4.629 -14.653 1.00 0.00 N ATOM 0 H ARG A 49 2.253 6.630 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 49 0.544 5.290 -9.041 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.246 6.142 -8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.302 4.391 -8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.915 6.189 -10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.417 5.322 -11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.155 3.162 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.672 4.096 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 49 2.199 3.334 -13.092 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.016 5.718 -11.726 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.654 6.200 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.376 3.958 -15.112 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.131 5.208 -15.210 1.00 0.00 H new ATOM 732 N SER A 50 1.757 3.806 -6.407 1.00 0.00 N ATOM 733 CA SER A 50 1.686 2.580 -5.629 1.00 0.00 C ATOM 734 C SER A 50 0.246 2.307 -5.248 1.00 0.00 C ATOM 735 O SER A 50 -0.346 1.347 -5.722 1.00 0.00 O ATOM 736 CB SER A 50 2.561 2.661 -4.377 1.00 0.00 C ATOM 737 OG SER A 50 2.887 4.000 -4.062 1.00 0.00 O ATOM 0 H SER A 50 2.189 4.594 -5.924 1.00 0.00 H new ATOM 0 HA SER A 50 2.064 1.761 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.039 2.204 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.476 2.089 -4.533 1.00 0.00 H new ATOM 0 HG SER A 50 2.065 4.530 -3.996 1.00 0.00 H new ATOM 743 N ALA A 51 -0.319 3.159 -4.401 1.00 0.00 N ATOM 744 CA ALA A 51 -1.706 2.995 -3.985 1.00 0.00 C ATOM 745 C ALA A 51 -2.640 2.866 -5.186 1.00 0.00 C ATOM 746 O ALA A 51 -3.738 2.323 -5.068 1.00 0.00 O ATOM 747 CB ALA A 51 -2.145 4.144 -3.097 1.00 0.00 C ATOM 0 H ALA A 51 0.157 3.963 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.766 2.070 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.184 3.998 -2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.515 4.178 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.052 5.082 -3.644 1.00 0.00 H new ATOM 753 N GLN A 52 -2.206 3.355 -6.345 1.00 0.00 N ATOM 754 CA GLN A 52 -3.027 3.271 -7.548 1.00 0.00 C ATOM 755 C GLN A 52 -3.083 1.837 -8.055 1.00 0.00 C ATOM 756 O GLN A 52 -4.161 1.285 -8.268 1.00 0.00 O ATOM 757 CB GLN A 52 -2.486 4.198 -8.638 1.00 0.00 C ATOM 758 CG GLN A 52 -3.333 5.441 -8.856 1.00 0.00 C ATOM 759 CD GLN A 52 -3.582 6.209 -7.571 1.00 0.00 C ATOM 760 OE1 GLN A 52 -3.249 5.743 -6.482 1.00 0.00 O ATOM 761 NE2 GLN A 52 -4.171 7.392 -7.694 1.00 0.00 N ATOM 0 H GLN A 52 -1.302 3.808 -6.476 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.038 3.591 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.472 4.501 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.421 3.644 -9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.837 6.093 -9.575 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.289 5.153 -9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.430 7.739 -8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.365 7.954 -6.865 1.00 0.00 H new ATOM 770 N ALA A 53 -1.918 1.228 -8.221 1.00 0.00 N ATOM 771 CA ALA A 53 -1.842 -0.153 -8.673 1.00 0.00 C ATOM 772 C ALA A 53 -2.285 -1.105 -7.567 1.00 0.00 C ATOM 773 O ALA A 53 -2.565 -2.278 -7.811 1.00 0.00 O ATOM 774 CB ALA A 53 -0.423 -0.479 -9.089 1.00 0.00 C ATOM 0 H ALA A 53 -1.014 1.668 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.509 -0.276 -9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.372 -1.514 -9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.121 0.183 -9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.246 -0.341 -8.240 1.00 0.00 H new ATOM 780 N PHE A 54 -2.340 -0.582 -6.348 1.00 0.00 N ATOM 781 CA PHE A 54 -2.738 -1.352 -5.190 1.00 0.00 C ATOM 782 C PHE A 54 -4.243 -1.557 -5.192 1.00 0.00 C ATOM 783 O PHE A 54 -4.721 -2.647 -4.891 1.00 0.00 O ATOM 784 CB PHE A 54 -2.248 -0.634 -3.910 1.00 0.00 C ATOM 785 CG PHE A 54 -3.247 -0.528 -2.779 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.579 -1.644 -2.031 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.839 0.690 -2.458 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.475 -1.551 -0.987 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.743 0.784 -1.415 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.055 -0.337 -0.682 1.00 0.00 C ATOM 0 H PHE A 54 -2.108 0.390 -6.141 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.280 -2.341 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.366 -1.157 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.931 0.373 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.132 -2.598 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.590 1.572 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.723 -2.428 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.201 1.733 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.757 -0.267 0.136 1.00 0.00 H new ATOM 800 N THR A 55 -4.986 -0.506 -5.526 1.00 0.00 N ATOM 801 CA THR A 55 -6.435 -0.603 -5.548 1.00 0.00 C ATOM 802 C THR A 55 -6.895 -1.590 -6.606 1.00 0.00 C ATOM 803 O THR A 55 -7.743 -2.443 -6.344 1.00 0.00 O ATOM 804 CB THR A 55 -7.082 0.759 -5.773 1.00 0.00 C ATOM 805 OG1 THR A 55 -8.433 0.611 -6.172 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.387 1.604 -6.817 1.00 0.00 C ATOM 0 H THR A 55 -4.612 0.408 -5.781 1.00 0.00 H new ATOM 0 HA THR A 55 -6.753 -0.968 -4.572 1.00 0.00 H new ATOM 0 HB THR A 55 -7.001 1.270 -4.814 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.832 1.495 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.907 2.557 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.356 1.784 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.397 1.081 -7.773 1.00 0.00 H new ATOM 814 N HIS A 56 -6.319 -1.490 -7.795 1.00 0.00 N ATOM 815 CA HIS A 56 -6.663 -2.401 -8.873 1.00 0.00 C ATOM 816 C HIS A 56 -6.464 -3.840 -8.416 1.00 0.00 C ATOM 817 O HIS A 56 -7.072 -4.767 -8.949 1.00 0.00 O ATOM 818 CB HIS A 56 -5.793 -2.123 -10.095 1.00 0.00 C ATOM 819 CG HIS A 56 -6.250 -2.832 -11.331 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.397 -3.412 -12.245 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.505 -3.052 -11.800 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.142 -3.953 -13.218 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.428 -3.763 -12.995 1.00 0.00 N ATOM 0 H HIS A 56 -5.616 -0.791 -8.035 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.708 -2.250 -9.142 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.781 -1.050 -10.285 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.767 -2.419 -9.875 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -4.379 -3.427 -12.190 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.418 -2.727 -11.322 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.742 -4.477 -14.074 1.00 0.00 H new ATOM 831 N LEU A 57 -5.587 -4.015 -7.428 1.00 0.00 N ATOM 832 CA LEU A 57 -5.279 -5.333 -6.897 1.00 0.00 C ATOM 833 C LEU A 57 -6.208 -5.735 -5.746 1.00 0.00 C ATOM 834 O LEU A 57 -6.451 -6.923 -5.538 1.00 0.00 O ATOM 835 CB LEU A 57 -3.824 -5.374 -6.426 1.00 0.00 C ATOM 836 CG LEU A 57 -3.216 -6.772 -6.317 1.00 0.00 C ATOM 837 CD1 LEU A 57 -1.709 -6.715 -6.515 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.556 -7.390 -4.971 1.00 0.00 C ATOM 0 H LEU A 57 -5.077 -3.253 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.434 -6.050 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.219 -4.784 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.760 -4.890 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.640 -7.398 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.293 -7.719 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.487 -6.309 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.266 -6.076 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.117 -8.386 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.157 -6.765 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.639 -7.464 -4.867 1.00 0.00 H new ATOM 850 N LYS A 58 -6.723 -4.761 -4.991 1.00 0.00 N ATOM 851 CA LYS A 58 -7.608 -5.081 -3.870 1.00 0.00 C ATOM 852 C LYS A 58 -8.759 -5.970 -4.329 1.00 0.00 C ATOM 853 O LYS A 58 -9.218 -6.841 -3.591 1.00 0.00 O ATOM 854 CB LYS A 58 -8.172 -3.814 -3.220 1.00 0.00 C ATOM 855 CG LYS A 58 -7.114 -2.815 -2.783 1.00 0.00 C ATOM 856 CD LYS A 58 -7.736 -1.503 -2.318 1.00 0.00 C ATOM 857 CE LYS A 58 -8.769 -0.974 -3.307 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.161 -1.246 -2.856 1.00 0.00 N ATOM 0 H LYS A 58 -6.547 -3.766 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.011 -5.614 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.847 -3.327 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.768 -4.098 -2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.521 -3.243 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.432 -2.621 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.208 -1.651 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.951 -0.759 -2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.632 0.100 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.607 -1.434 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.779 -1.359 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.178 -2.118 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.500 -0.451 -2.277 1.00 0.00 H new ATOM 872 N ALA A 59 -9.226 -5.737 -5.551 1.00 0.00 N ATOM 873 CA ALA A 59 -10.329 -6.511 -6.108 1.00 0.00 C ATOM 874 C ALA A 59 -9.831 -7.569 -7.090 1.00 0.00 C ATOM 875 O ALA A 59 -10.126 -8.754 -6.939 1.00 0.00 O ATOM 876 CB ALA A 59 -11.326 -5.587 -6.791 1.00 0.00 C ATOM 0 H ALA A 59 -8.858 -5.018 -6.174 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.824 -7.027 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -12.145 -6.176 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.720 -4.876 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.828 -5.045 -7.595 1.00 0.00 H new ATOM 882 N LYS A 60 -9.081 -7.133 -8.097 1.00 0.00 N ATOM 883 CA LYS A 60 -8.550 -8.046 -9.103 1.00 0.00 C ATOM 884 C LYS A 60 -7.595 -9.056 -8.477 1.00 0.00 C ATOM 885 O LYS A 60 -7.741 -10.265 -8.664 1.00 0.00 O ATOM 886 CB LYS A 60 -7.830 -7.264 -10.204 1.00 0.00 C ATOM 887 CG LYS A 60 -8.692 -6.191 -10.850 1.00 0.00 C ATOM 888 CD LYS A 60 -8.957 -6.498 -12.315 1.00 0.00 C ATOM 889 CE LYS A 60 -10.336 -7.104 -12.517 1.00 0.00 C ATOM 890 NZ LYS A 60 -10.751 -7.075 -13.947 1.00 0.00 N ATOM 0 H LYS A 60 -8.828 -6.155 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.389 -8.589 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.938 -6.798 -9.784 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.494 -7.960 -10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.639 -6.113 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.197 -5.224 -10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.871 -5.583 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.198 -7.186 -12.687 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.336 -8.134 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.064 -6.558 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.697 -7.497 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.776 -6.091 -14.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.071 -7.617 -14.517 1.00 0.00 H new ATOM 904 N GLY A 61 -6.618 -8.552 -7.733 1.00 0.00 N ATOM 905 CA GLY A 61 -5.650 -9.420 -7.090 1.00 0.00 C ATOM 906 C GLY A 61 -6.280 -10.311 -6.039 1.00 0.00 C ATOM 907 O GLY A 61 -6.662 -11.446 -6.325 1.00 0.00 O ATOM 0 H GLY A 61 -6.479 -7.556 -7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.165 -10.040 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.872 -8.812 -6.628 1.00 0.00 H new ATOM 911 N GLU A 62 -6.390 -9.797 -4.818 1.00 0.00 N ATOM 912 CA GLU A 62 -6.979 -10.557 -3.724 1.00 0.00 C ATOM 913 C GLU A 62 -6.881 -9.796 -2.407 1.00 0.00 C ATOM 914 O GLU A 62 -7.894 -9.404 -1.828 1.00 0.00 O ATOM 915 CB GLU A 62 -6.288 -11.917 -3.591 1.00 0.00 C ATOM 916 CG GLU A 62 -7.249 -13.093 -3.631 1.00 0.00 C ATOM 917 CD GLU A 62 -8.288 -13.036 -2.528 1.00 0.00 C ATOM 918 OE1 GLU A 62 -8.254 -12.076 -1.731 1.00 0.00 O ATOM 919 OE2 GLU A 62 -9.136 -13.951 -2.463 1.00 0.00 O ATOM 0 H GLU A 62 -6.079 -8.860 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.034 -10.709 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.560 -12.026 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.733 -11.943 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.752 -13.114 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.685 -14.022 -3.546 1.00 0.00 H new ATOM 926 N ILE A 63 -5.656 -9.597 -1.938 1.00 0.00 N ATOM 927 CA ILE A 63 -5.422 -8.891 -0.683 1.00 0.00 C ATOM 928 C ILE A 63 -6.207 -9.539 0.452 1.00 0.00 C ATOM 929 O ILE A 63 -7.422 -9.369 0.550 1.00 0.00 O ATOM 930 CB ILE A 63 -5.819 -7.395 -0.786 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.879 -6.667 -1.750 1.00 0.00 C ATOM 932 CG2 ILE A 63 -5.799 -6.723 0.589 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.069 -5.166 -1.768 1.00 0.00 C ATOM 0 H ILE A 63 -4.808 -9.914 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.354 -8.955 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.837 -7.338 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.848 -6.890 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.033 -7.056 -2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.081 -5.675 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.505 -7.226 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.796 -6.789 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.369 -4.719 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.089 -4.932 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.886 -4.764 -0.771 1.00 0.00 H new ATOM 945 N PRO A 64 -5.527 -10.271 1.345 1.00 0.00 N ATOM 946 CA PRO A 64 -6.186 -10.910 2.481 1.00 0.00 C ATOM 947 C PRO A 64 -6.942 -9.883 3.315 1.00 0.00 C ATOM 948 O PRO A 64 -6.530 -8.728 3.407 1.00 0.00 O ATOM 949 CB PRO A 64 -5.022 -11.507 3.274 1.00 0.00 C ATOM 950 CG PRO A 64 -3.937 -11.684 2.275 1.00 0.00 C ATOM 951 CD PRO A 64 -4.072 -10.518 1.342 1.00 0.00 C ATOM 0 HA PRO A 64 -6.925 -11.654 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.712 -10.844 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.300 -12.457 3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.958 -11.695 2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.042 -12.629 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.513 -9.651 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.703 -10.753 0.344 1.00 0.00 H new ATOM 959 N GLU A 65 -8.052 -10.299 3.907 1.00 0.00 N ATOM 960 CA GLU A 65 -8.860 -9.398 4.719 1.00 0.00 C ATOM 961 C GLU A 65 -8.099 -8.939 5.956 1.00 0.00 C ATOM 962 O GLU A 65 -8.342 -7.853 6.480 1.00 0.00 O ATOM 963 CB GLU A 65 -10.156 -10.083 5.116 1.00 0.00 C ATOM 964 CG GLU A 65 -11.007 -9.274 6.081 1.00 0.00 C ATOM 965 CD GLU A 65 -12.353 -9.917 6.352 1.00 0.00 C ATOM 966 OE1 GLU A 65 -12.603 -11.018 5.817 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.157 -9.320 7.099 1.00 0.00 O ATOM 0 H GLU A 65 -8.414 -11.251 3.842 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.091 -8.514 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.738 -10.288 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.923 -11.046 5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.469 -9.155 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.161 -8.275 5.674 1.00 0.00 H new ATOM 974 N VAL A 66 -7.156 -9.763 6.405 1.00 0.00 N ATOM 975 CA VAL A 66 -6.331 -9.425 7.565 1.00 0.00 C ATOM 976 C VAL A 66 -5.749 -8.022 7.386 1.00 0.00 C ATOM 977 O VAL A 66 -5.468 -7.318 8.356 1.00 0.00 O ATOM 978 CB VAL A 66 -5.191 -10.465 7.759 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.630 -10.887 6.420 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.063 -9.939 8.638 1.00 0.00 C ATOM 0 H VAL A 66 -6.943 -10.668 5.985 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.956 -9.445 8.458 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.633 -11.323 8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.833 -11.615 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.421 -11.335 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.231 -10.015 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.294 -10.705 8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.630 -9.049 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.457 -9.686 9.623 1.00 0.00 H new ATOM 990 N ALA A 67 -5.586 -7.635 6.128 1.00 0.00 N ATOM 991 CA ALA A 67 -5.055 -6.332 5.779 1.00 0.00 C ATOM 992 C ALA A 67 -6.088 -5.236 6.020 1.00 0.00 C ATOM 993 O ALA A 67 -5.773 -4.182 6.574 1.00 0.00 O ATOM 994 CB ALA A 67 -4.631 -6.349 4.325 1.00 0.00 C ATOM 0 H ALA A 67 -5.819 -8.218 5.324 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.194 -6.116 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.230 -5.373 4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.865 -7.110 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.493 -6.576 3.697 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.326 -5.493 5.595 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.416 -4.534 5.761 1.00 0.00 C ATOM 1002 C PHE A 68 -9.074 -4.683 7.132 1.00 0.00 C ATOM 1003 O PHE A 68 -10.298 -4.759 7.234 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.475 -4.730 4.673 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.979 -4.535 3.282 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.730 -3.268 2.793 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.786 -5.621 2.456 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.289 -3.089 1.502 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.349 -5.453 1.166 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.097 -4.185 0.682 1.00 0.00 C ATOM 0 H PHE A 68 -7.598 -6.360 5.132 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.989 -3.534 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.885 -5.736 4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.295 -4.035 4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.883 -2.409 3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.981 -6.616 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.093 -2.094 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.202 -6.313 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.752 -4.050 -0.332 1.00 0.00 H new ATOM 1020 N MET A 69 -8.262 -4.726 8.184 1.00 0.00 N ATOM 1021 CA MET A 69 -8.780 -4.869 9.540 1.00 0.00 C ATOM 1022 C MET A 69 -9.714 -6.071 9.640 1.00 0.00 C ATOM 1023 O MET A 69 -10.923 -5.949 9.442 1.00 0.00 O ATOM 1024 CB MET A 69 -9.519 -3.598 9.963 1.00 0.00 C ATOM 1025 CG MET A 69 -8.594 -2.436 10.290 1.00 0.00 C ATOM 1026 SD MET A 69 -9.464 -0.860 10.382 1.00 0.00 S ATOM 1027 CE MET A 69 -9.518 -0.401 8.651 1.00 0.00 C ATOM 0 H MET A 69 -7.246 -4.664 8.124 1.00 0.00 H new ATOM 0 HA MET A 69 -7.936 -5.030 10.210 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.196 -3.298 9.163 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.134 -3.819 10.836 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.098 -2.629 11.241 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.815 -2.372 9.531 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.028 0.556 8.544 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.502 -0.316 8.265 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.057 -1.164 8.089 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.143 -7.232 9.945 1.00 0.00 N ATOM 1038 CA LYS A 70 -9.922 -8.459 10.069 1.00 0.00 C ATOM 1039 C LYS A 70 -10.220 -8.772 11.531 1.00 0.00 C ATOM 1040 O LYS A 70 -11.413 -8.792 11.900 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.169 -9.627 9.427 1.00 0.00 C ATOM 1042 CG LYS A 70 -9.892 -10.959 9.537 1.00 0.00 C ATOM 1043 CD LYS A 70 -9.865 -11.720 8.219 1.00 0.00 C ATOM 1044 CE LYS A 70 -8.446 -11.893 7.696 1.00 0.00 C ATOM 1045 NZ LYS A 70 -7.958 -13.290 7.869 1.00 0.00 N ATOM 1046 OXT LYS A 70 -9.257 -8.992 12.296 1.00 0.00 O ATOM 0 H LYS A 70 -8.143 -7.349 10.111 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.870 -8.314 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.999 -9.402 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.189 -9.717 9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.427 -11.563 10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.925 -10.789 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.324 -12.699 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.463 -11.187 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.413 -11.625 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.780 -11.208 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.988 -13.367 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.966 -13.538 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.579 -13.942 7.348 1.00 0.00 H new TER 1060 LYS A 70