USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 93 THR OG1 : rot -81:sc= -0.0238 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.406 X(o=0.38,f=0.52) USER MOD Set 2.1: A 27 GLN : amide:sc= 0.228 X(o=0.21,f=0.15) USER MOD Set 2.2: A 29 SER OG : rot -87:sc= 0.286 USER MOD Set 2.3: A 36 CYS SG : rot -130:sc= -0.305 USER MOD Set 2.4: A 40 ASN : amide:sc= 0 X(o=0.21,f=0.21) USER MOD Set 3.1: A 19 MET CE :methyl 173:sc= 0 (180deg=0) USER MOD Set 3.2: A 23 HIS : no HE2:sc= 0.0204 X(o=0.02,f=-0.13) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.003 USER MOD Single : A 14 THR OG1 : rot 78:sc= 0.674 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -51:sc= 0.0195 USER MOD Single : A 33 CYS SG : rot 180:sc= 0.457 USER MOD Single : A 38 TYR OH : rot -136:sc= 0.0377 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.869) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.5!) USER MOD Single : A 65 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.48) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.17) USER MOD Single : A 73 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.14) USER MOD Single : A 74 LYS NZ :NH3+ -135:sc= -1.71! (180deg=-4.82!) USER MOD Single : A 78 SER OG : rot -149:sc= 0.00074 USER MOD Single : A 80 ASN : amide:sc= -0.373 K(o=-0.37,f=0.14) USER MOD Single : A 83 THR OG1 : rot 137:sc= 0.00026 USER MOD Single : A 87 ASN : amide:sc= -1.02 K(o=-1,f=-0.32) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0533 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -15.543 -16.611 1.781 1.00 0.00 N ATOM 2 CA MET A 9 -14.140 -16.149 1.994 1.00 0.00 C ATOM 3 C MET A 9 -13.453 -15.809 0.672 1.00 0.00 C ATOM 4 O MET A 9 -13.035 -14.672 0.451 1.00 0.00 O ATOM 5 CB MET A 9 -13.362 -17.250 2.726 1.00 0.00 C ATOM 6 CG MET A 9 -13.748 -17.408 4.188 1.00 0.00 C ATOM 7 SD MET A 9 -13.807 -19.135 4.705 1.00 0.00 S ATOM 8 CE MET A 9 -12.778 -19.079 6.169 1.00 0.00 C ATOM 0 HA MET A 9 -14.159 -15.239 2.594 1.00 0.00 H new ATOM 0 HB2 MET A 9 -13.524 -18.198 2.213 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.296 -17.031 2.663 1.00 0.00 H new ATOM 0 HG2 MET A 9 -13.032 -16.870 4.809 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.722 -16.949 4.355 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.715 -20.075 6.608 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.779 -18.737 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.213 -18.391 6.893 1.00 0.00 H new ATOM 18 N SER A 10 -13.344 -16.808 -0.204 1.00 0.00 N ATOM 19 CA SER A 10 -12.713 -16.630 -1.514 1.00 0.00 C ATOM 20 C SER A 10 -13.445 -15.579 -2.349 1.00 0.00 C ATOM 21 O SER A 10 -12.835 -14.915 -3.187 1.00 0.00 O ATOM 22 CB SER A 10 -12.679 -17.957 -2.276 1.00 0.00 C ATOM 23 OG SER A 10 -13.936 -18.611 -2.219 1.00 0.00 O ATOM 0 H SER A 10 -13.686 -17.753 -0.030 1.00 0.00 H new ATOM 0 HA SER A 10 -11.694 -16.284 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.407 -17.776 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.910 -18.603 -1.853 1.00 0.00 H new ATOM 0 HG SER A 10 -13.888 -19.455 -2.715 1.00 0.00 H new ATOM 29 N ALA A 11 -14.756 -15.438 -2.115 1.00 0.00 N ATOM 30 CA ALA A 11 -15.577 -14.470 -2.846 1.00 0.00 C ATOM 31 C ALA A 11 -14.906 -13.100 -2.915 1.00 0.00 C ATOM 32 O ALA A 11 -14.986 -12.412 -3.935 1.00 0.00 O ATOM 33 CB ALA A 11 -16.956 -14.350 -2.206 1.00 0.00 C ATOM 0 H ALA A 11 -15.270 -15.984 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.689 -14.838 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -17.553 -13.627 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.452 -15.321 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -16.850 -14.017 -1.174 1.00 0.00 H new ATOM 39 N PHE A 12 -14.243 -12.711 -1.828 1.00 0.00 N ATOM 40 CA PHE A 12 -13.554 -11.427 -1.769 1.00 0.00 C ATOM 41 C PHE A 12 -12.107 -11.556 -2.241 1.00 0.00 C ATOM 42 O PHE A 12 -11.592 -10.672 -2.928 1.00 0.00 O ATOM 43 CB PHE A 12 -13.595 -10.864 -0.347 1.00 0.00 C ATOM 44 CG PHE A 12 -14.806 -10.017 -0.075 1.00 0.00 C ATOM 45 CD1 PHE A 12 -15.159 -8.994 -0.940 1.00 0.00 C ATOM 46 CD2 PHE A 12 -15.593 -10.249 1.041 1.00 0.00 C ATOM 47 CE1 PHE A 12 -16.272 -8.216 -0.696 1.00 0.00 C ATOM 48 CE2 PHE A 12 -16.709 -9.473 1.290 1.00 0.00 C ATOM 49 CZ PHE A 12 -17.050 -8.456 0.420 1.00 0.00 C ATOM 0 H PHE A 12 -14.169 -13.268 -0.977 1.00 0.00 H new ATOM 0 HA PHE A 12 -14.071 -10.739 -2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -13.572 -11.690 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.698 -10.269 -0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.556 -8.803 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.332 -11.044 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.535 -7.420 -1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -17.314 -9.662 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 12 -17.923 -7.850 0.612 1.00 0.00 H new ATOM 59 N VAL A 13 -11.456 -12.658 -1.870 1.00 0.00 N ATOM 60 CA VAL A 13 -10.067 -12.899 -2.261 1.00 0.00 C ATOM 61 C VAL A 13 -9.920 -12.888 -3.782 1.00 0.00 C ATOM 62 O VAL A 13 -9.000 -12.271 -4.318 1.00 0.00 O ATOM 63 CB VAL A 13 -9.543 -14.242 -1.705 1.00 0.00 C ATOM 64 CG1 VAL A 13 -8.055 -14.403 -1.993 1.00 0.00 C ATOM 65 CG2 VAL A 13 -9.815 -14.347 -0.210 1.00 0.00 C ATOM 0 H VAL A 13 -11.867 -13.397 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.472 -12.092 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.076 -15.049 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.708 -15.355 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.888 -14.380 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.503 -13.589 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.439 -15.300 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.313 -13.531 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.888 -14.286 -0.030 1.00 0.00 H new ATOM 75 N THR A 14 -10.840 -13.566 -4.472 1.00 0.00 N ATOM 76 CA THR A 14 -10.819 -13.625 -5.932 1.00 0.00 C ATOM 77 C THR A 14 -10.992 -12.229 -6.534 1.00 0.00 C ATOM 78 O THR A 14 -10.291 -11.861 -7.474 1.00 0.00 O ATOM 79 CB THR A 14 -11.921 -14.559 -6.448 1.00 0.00 C ATOM 80 OG1 THR A 14 -11.897 -15.802 -5.763 1.00 0.00 O ATOM 81 CG2 THR A 14 -11.819 -14.849 -7.932 1.00 0.00 C ATOM 0 H THR A 14 -11.608 -14.081 -4.042 1.00 0.00 H new ATOM 0 HA THR A 14 -9.850 -14.019 -6.240 1.00 0.00 H new ATOM 0 HB THR A 14 -12.854 -14.027 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.315 -15.699 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.629 -15.515 -8.229 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.893 -13.916 -8.491 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.862 -15.324 -8.145 1.00 0.00 H new ATOM 89 N LYS A 15 -11.930 -11.458 -5.978 1.00 0.00 N ATOM 90 CA LYS A 15 -12.191 -10.101 -6.457 1.00 0.00 C ATOM 91 C LYS A 15 -10.970 -9.209 -6.247 1.00 0.00 C ATOM 92 O LYS A 15 -10.551 -8.491 -7.155 1.00 0.00 O ATOM 93 CB LYS A 15 -13.411 -9.506 -5.748 1.00 0.00 C ATOM 94 CG LYS A 15 -14.737 -9.934 -6.358 1.00 0.00 C ATOM 95 CD LYS A 15 -15.901 -9.642 -5.428 1.00 0.00 C ATOM 96 CE LYS A 15 -17.221 -9.630 -6.182 1.00 0.00 C ATOM 97 NZ LYS A 15 -18.391 -9.623 -5.261 1.00 0.00 N ATOM 0 H LYS A 15 -12.519 -11.750 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.400 -10.153 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.391 -9.801 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.342 -8.419 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.887 -9.414 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.708 -11.000 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.937 -10.394 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.748 -8.678 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.262 -8.752 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.276 -10.504 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.270 -9.615 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.367 -10.474 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.354 -8.776 -4.659 1.00 0.00 H new ATOM 111 N ALA A 16 -10.397 -9.273 -5.047 1.00 0.00 N ATOM 112 CA ALA A 16 -9.211 -8.482 -4.717 1.00 0.00 C ATOM 113 C ALA A 16 -8.023 -8.899 -5.584 1.00 0.00 C ATOM 114 O ALA A 16 -7.212 -8.063 -5.983 1.00 0.00 O ATOM 115 CB ALA A 16 -8.866 -8.627 -3.240 1.00 0.00 C ATOM 0 H ALA A 16 -10.734 -9.864 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.434 -7.435 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.981 -8.032 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.703 -8.279 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.666 -9.674 -3.014 1.00 0.00 H new ATOM 121 N GLU A 17 -7.935 -10.200 -5.874 1.00 0.00 N ATOM 122 CA GLU A 17 -6.856 -10.738 -6.700 1.00 0.00 C ATOM 123 C GLU A 17 -6.924 -10.187 -8.125 1.00 0.00 C ATOM 124 O GLU A 17 -5.893 -9.973 -8.764 1.00 0.00 O ATOM 125 CB GLU A 17 -6.917 -12.267 -6.730 1.00 0.00 C ATOM 126 CG GLU A 17 -6.200 -12.929 -5.563 1.00 0.00 C ATOM 127 CD GLU A 17 -4.712 -13.098 -5.807 1.00 0.00 C ATOM 128 OE1 GLU A 17 -4.336 -13.579 -6.898 1.00 0.00 O ATOM 129 OE2 GLU A 17 -3.920 -12.749 -4.906 1.00 0.00 O ATOM 0 H GLU A 17 -8.601 -10.900 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.910 -10.427 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.961 -12.581 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.479 -12.621 -7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.351 -12.332 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.646 -13.906 -5.375 1.00 0.00 H new ATOM 136 N GLU A 18 -8.141 -9.959 -8.619 1.00 0.00 N ATOM 137 CA GLU A 18 -8.329 -9.428 -9.966 1.00 0.00 C ATOM 138 C GLU A 18 -7.824 -7.989 -10.062 1.00 0.00 C ATOM 139 O GLU A 18 -7.239 -7.598 -11.072 1.00 0.00 O ATOM 140 CB GLU A 18 -9.804 -9.497 -10.368 1.00 0.00 C ATOM 141 CG GLU A 18 -10.149 -10.716 -11.210 1.00 0.00 C ATOM 142 CD GLU A 18 -10.318 -10.383 -12.680 1.00 0.00 C ATOM 143 OE1 GLU A 18 -11.245 -9.613 -13.011 1.00 0.00 O ATOM 144 OE2 GLU A 18 -9.523 -10.890 -13.498 1.00 0.00 O ATOM 0 H GLU A 18 -9.007 -10.133 -8.108 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.748 -10.042 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.418 -9.503 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.063 -8.596 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.363 -11.463 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.070 -11.163 -10.835 1.00 0.00 H new ATOM 151 N MET A 19 -8.051 -7.207 -9.005 1.00 0.00 N ATOM 152 CA MET A 19 -7.613 -5.813 -8.973 1.00 0.00 C ATOM 153 C MET A 19 -6.089 -5.714 -9.010 1.00 0.00 C ATOM 154 O MET A 19 -5.532 -4.912 -9.759 1.00 0.00 O ATOM 155 CB MET A 19 -8.146 -5.111 -7.720 1.00 0.00 C ATOM 156 CG MET A 19 -8.726 -3.735 -7.992 1.00 0.00 C ATOM 157 SD MET A 19 -7.530 -2.611 -8.739 1.00 0.00 S ATOM 158 CE MET A 19 -8.341 -2.232 -10.289 1.00 0.00 C ATOM 0 H MET A 19 -8.535 -7.516 -8.162 1.00 0.00 H new ATOM 0 HA MET A 19 -8.014 -5.319 -9.858 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.914 -5.735 -7.263 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.338 -5.018 -6.995 1.00 0.00 H new ATOM 0 HG2 MET A 19 -9.588 -3.833 -8.652 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.087 -3.306 -7.057 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.785 -1.452 -10.809 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.377 -3.128 -10.909 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.356 -1.885 -10.093 1.00 0.00 H new ATOM 168 N ILE A 20 -5.422 -6.540 -8.203 1.00 0.00 N ATOM 169 CA ILE A 20 -3.967 -6.551 -8.146 1.00 0.00 C ATOM 170 C ILE A 20 -3.360 -7.173 -9.406 1.00 0.00 C ATOM 171 O ILE A 20 -2.162 -7.032 -9.655 1.00 0.00 O ATOM 172 CB ILE A 20 -3.460 -7.322 -6.909 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.044 -8.738 -6.868 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.802 -6.564 -5.632 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.355 -9.646 -5.874 1.00 0.00 C ATOM 0 H ILE A 20 -5.872 -7.211 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.650 -5.511 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.376 -7.407 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.104 -8.678 -6.620 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.974 -9.180 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.437 -7.122 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.331 -5.581 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.883 -6.446 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.820 -10.632 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.300 -9.736 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.448 -9.226 -4.872 1.00 0.00 H new ATOM 187 N LYS A 21 -4.187 -7.859 -10.196 1.00 0.00 N ATOM 188 CA LYS A 21 -3.723 -8.495 -11.424 1.00 0.00 C ATOM 189 C LYS A 21 -3.186 -7.453 -12.405 1.00 0.00 C ATOM 190 O LYS A 21 -1.996 -7.445 -12.722 1.00 0.00 O ATOM 191 CB LYS A 21 -4.857 -9.289 -12.073 1.00 0.00 C ATOM 192 CG LYS A 21 -4.409 -10.617 -12.662 1.00 0.00 C ATOM 193 CD LYS A 21 -4.048 -11.618 -11.574 1.00 0.00 C ATOM 194 CE LYS A 21 -4.567 -13.010 -11.903 1.00 0.00 C ATOM 195 NZ LYS A 21 -4.774 -13.837 -10.679 1.00 0.00 N ATOM 0 H LYS A 21 -5.181 -7.987 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.914 -9.179 -11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.632 -9.474 -11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.308 -8.685 -12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.204 -11.026 -13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.547 -10.456 -13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.965 -11.651 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.465 -11.289 -10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.508 -12.926 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.861 -13.513 -12.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.128 -14.777 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.871 -13.940 -10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.467 -13.372 -10.059 1.00 0.00 H new ATOM 209 N SER A 22 -4.071 -6.573 -12.874 1.00 0.00 N ATOM 210 CA SER A 22 -3.688 -5.519 -13.813 1.00 0.00 C ATOM 211 C SER A 22 -3.134 -4.305 -13.069 1.00 0.00 C ATOM 212 O SER A 22 -2.338 -3.542 -13.620 1.00 0.00 O ATOM 213 CB SER A 22 -4.886 -5.102 -14.672 1.00 0.00 C ATOM 214 OG SER A 22 -4.498 -4.181 -15.677 1.00 0.00 O ATOM 0 H SER A 22 -5.059 -6.569 -12.619 1.00 0.00 H new ATOM 0 HA SER A 22 -2.908 -5.915 -14.463 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.330 -5.984 -15.134 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.652 -4.653 -14.040 1.00 0.00 H new ATOM 0 HG SER A 22 -5.280 -3.932 -16.212 1.00 0.00 H new ATOM 220 N HIS A 23 -3.554 -4.136 -11.815 1.00 0.00 N ATOM 221 CA HIS A 23 -3.092 -3.019 -10.997 1.00 0.00 C ATOM 222 C HIS A 23 -2.375 -3.523 -9.745 1.00 0.00 C ATOM 223 O HIS A 23 -2.849 -3.327 -8.624 1.00 0.00 O ATOM 224 CB HIS A 23 -4.268 -2.117 -10.609 1.00 0.00 C ATOM 225 CG HIS A 23 -4.849 -1.357 -11.760 1.00 0.00 C ATOM 226 ND1 HIS A 23 -4.579 -0.025 -11.997 1.00 0.00 N ATOM 227 CD2 HIS A 23 -5.691 -1.749 -12.745 1.00 0.00 C ATOM 228 CE1 HIS A 23 -5.232 0.369 -13.075 1.00 0.00 C ATOM 229 NE2 HIS A 23 -5.914 -0.658 -13.548 1.00 0.00 N ATOM 0 H HIS A 23 -4.212 -4.758 -11.346 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.384 -2.436 -11.586 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.049 -2.728 -10.157 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.937 -1.410 -9.849 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.970 0.564 -11.428 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.109 -2.736 -12.875 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.212 1.363 -13.498 1.00 0.00 H new ATOM 238 N PRO A 24 -1.210 -4.180 -9.921 1.00 0.00 N ATOM 239 CA PRO A 24 -0.423 -4.712 -8.802 1.00 0.00 C ATOM 240 C PRO A 24 0.214 -3.613 -7.947 1.00 0.00 C ATOM 241 O PRO A 24 0.578 -3.850 -6.794 1.00 0.00 O ATOM 242 CB PRO A 24 0.658 -5.546 -9.491 1.00 0.00 C ATOM 243 CG PRO A 24 0.801 -4.942 -10.844 1.00 0.00 C ATOM 244 CD PRO A 24 -0.570 -4.454 -11.223 1.00 0.00 C ATOM 0 HA PRO A 24 -1.045 -5.279 -8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.598 -5.508 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.368 -6.595 -9.555 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.518 -4.121 -10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.167 -5.675 -11.563 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.520 -3.558 -11.842 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.120 -5.204 -11.791 1.00 0.00 H new ATOM 252 N TYR A 25 0.346 -2.415 -8.516 1.00 0.00 N ATOM 253 CA TYR A 25 0.936 -1.287 -7.806 1.00 0.00 C ATOM 254 C TYR A 25 -0.140 -0.493 -7.069 1.00 0.00 C ATOM 255 O TYR A 25 -0.505 0.611 -7.481 1.00 0.00 O ATOM 256 CB TYR A 25 1.687 -0.381 -8.786 1.00 0.00 C ATOM 257 CG TYR A 25 3.119 -0.809 -9.038 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.097 -0.632 -8.067 1.00 0.00 C ATOM 259 CD2 TYR A 25 3.489 -1.385 -10.246 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.404 -1.018 -8.294 1.00 0.00 C ATOM 261 CE2 TYR A 25 4.794 -1.774 -10.481 1.00 0.00 C ATOM 262 CZ TYR A 25 5.749 -1.587 -9.502 1.00 0.00 C ATOM 263 OH TYR A 25 7.050 -1.971 -9.731 1.00 0.00 O ATOM 0 H TYR A 25 0.051 -2.203 -9.469 1.00 0.00 H new ATOM 0 HA TYR A 25 1.642 -1.672 -7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.150 -0.363 -9.735 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.685 0.638 -8.399 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.831 -0.186 -7.120 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.745 -1.531 -11.015 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.152 -0.875 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.065 -2.222 -11.426 1.00 0.00 H new ATOM 0 HH TYR A 25 7.124 -2.355 -10.630 1.00 0.00 H new ATOM 273 N PHE A 26 -0.652 -1.067 -5.981 1.00 0.00 N ATOM 274 CA PHE A 26 -1.693 -0.421 -5.187 1.00 0.00 C ATOM 275 C PHE A 26 -1.131 0.120 -3.873 1.00 0.00 C ATOM 276 O PHE A 26 -0.327 -0.540 -3.210 1.00 0.00 O ATOM 277 CB PHE A 26 -2.833 -1.405 -4.909 1.00 0.00 C ATOM 278 CG PHE A 26 -4.204 -0.842 -5.174 1.00 0.00 C ATOM 279 CD1 PHE A 26 -4.475 -0.159 -6.350 1.00 0.00 C ATOM 280 CD2 PHE A 26 -5.220 -0.998 -4.245 1.00 0.00 C ATOM 281 CE1 PHE A 26 -5.734 0.355 -6.594 1.00 0.00 C ATOM 282 CE2 PHE A 26 -6.482 -0.486 -4.484 1.00 0.00 C ATOM 283 CZ PHE A 26 -6.738 0.191 -5.661 1.00 0.00 C ATOM 0 H PHE A 26 -0.361 -1.980 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.081 0.421 -5.760 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.691 -2.294 -5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.778 -1.725 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.693 -0.027 -7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.024 -1.526 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.932 0.885 -7.514 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.266 -0.615 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.723 0.592 -5.851 1.00 0.00 H new ATOM 293 N GLN A 27 -1.561 1.326 -3.504 1.00 0.00 N ATOM 294 CA GLN A 27 -1.108 1.968 -2.271 1.00 0.00 C ATOM 295 C GLN A 27 -2.295 2.504 -1.472 1.00 0.00 C ATOM 296 O GLN A 27 -2.862 3.545 -1.809 1.00 0.00 O ATOM 297 CB GLN A 27 -0.136 3.106 -2.602 1.00 0.00 C ATOM 298 CG GLN A 27 0.834 3.432 -1.476 1.00 0.00 C ATOM 299 CD GLN A 27 0.615 4.819 -0.901 1.00 0.00 C ATOM 300 OE1 GLN A 27 0.912 5.823 -1.545 1.00 0.00 O ATOM 301 NE2 GLN A 27 0.087 4.880 0.318 1.00 0.00 N ATOM 0 H GLN A 27 -2.225 1.880 -4.044 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.594 1.225 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.433 2.838 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.708 4.001 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.726 2.692 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.856 3.354 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.145 4.021 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.086 5.786 0.754 1.00 0.00 H new ATOM 310 N LEU A 28 -2.669 1.784 -0.416 1.00 0.00 N ATOM 311 CA LEU A 28 -3.792 2.184 0.428 1.00 0.00 C ATOM 312 C LEU A 28 -3.376 3.279 1.409 1.00 0.00 C ATOM 313 O LEU A 28 -2.451 3.096 2.204 1.00 0.00 O ATOM 314 CB LEU A 28 -4.349 0.974 1.188 1.00 0.00 C ATOM 315 CG LEU A 28 -5.655 0.398 0.631 1.00 0.00 C ATOM 316 CD1 LEU A 28 -6.807 1.365 0.859 1.00 0.00 C ATOM 317 CD2 LEU A 28 -5.511 0.074 -0.850 1.00 0.00 C ATOM 0 H LEU A 28 -2.210 0.921 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.574 2.583 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.595 0.187 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.511 1.261 2.227 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.875 -0.528 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.726 0.938 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.927 1.542 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.595 2.309 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.449 -0.334 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.264 0.983 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.716 -0.659 -0.986 1.00 0.00 H new ATOM 329 N SER A 29 -4.064 4.421 1.343 1.00 0.00 N ATOM 330 CA SER A 29 -3.771 5.554 2.219 1.00 0.00 C ATOM 331 C SER A 29 -4.991 5.930 3.064 1.00 0.00 C ATOM 332 O SER A 29 -6.132 5.748 2.634 1.00 0.00 O ATOM 333 CB SER A 29 -3.329 6.761 1.387 1.00 0.00 C ATOM 334 OG SER A 29 -1.981 6.632 0.968 1.00 0.00 O ATOM 0 H SER A 29 -4.830 4.584 0.689 1.00 0.00 H new ATOM 0 HA SER A 29 -2.965 5.260 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.975 6.860 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.444 7.672 1.974 1.00 0.00 H new ATOM 0 HG SER A 29 -1.387 6.989 1.661 1.00 0.00 H new ATOM 340 N ALA A 30 -4.740 6.461 4.264 1.00 0.00 N ATOM 341 CA ALA A 30 -5.817 6.868 5.169 1.00 0.00 C ATOM 342 C ALA A 30 -5.837 8.384 5.368 1.00 0.00 C ATOM 343 O ALA A 30 -6.905 8.987 5.467 1.00 0.00 O ATOM 344 CB ALA A 30 -5.680 6.164 6.513 1.00 0.00 C ATOM 0 H ALA A 30 -3.801 6.619 4.630 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.762 6.576 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.489 6.479 7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.731 5.085 6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.722 6.424 6.964 1.00 0.00 H new ATOM 350 N SER A 31 -4.647 8.988 5.443 1.00 0.00 N ATOM 351 CA SER A 31 -4.520 10.431 5.645 1.00 0.00 C ATOM 352 C SER A 31 -5.000 10.853 7.041 1.00 0.00 C ATOM 353 O SER A 31 -5.194 12.041 7.302 1.00 0.00 O ATOM 354 CB SER A 31 -5.302 11.194 4.570 1.00 0.00 C ATOM 355 OG SER A 31 -4.759 12.487 4.364 1.00 0.00 O ATOM 0 H SER A 31 -3.757 8.496 5.366 1.00 0.00 H new ATOM 0 HA SER A 31 -3.462 10.680 5.564 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.281 10.634 3.635 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.347 11.278 4.868 1.00 0.00 H new ATOM 0 HG SER A 31 -4.667 12.944 5.226 1.00 0.00 H new ATOM 361 N TRP A 32 -5.183 9.876 7.932 1.00 0.00 N ATOM 362 CA TRP A 32 -5.631 10.150 9.295 1.00 0.00 C ATOM 363 C TRP A 32 -4.490 9.957 10.294 1.00 0.00 C ATOM 364 O TRP A 32 -4.411 10.660 11.302 1.00 0.00 O ATOM 365 CB TRP A 32 -6.810 9.239 9.658 1.00 0.00 C ATOM 366 CG TRP A 32 -8.073 9.985 9.982 1.00 0.00 C ATOM 367 CD1 TRP A 32 -8.895 9.768 11.048 1.00 0.00 C ATOM 368 CD2 TRP A 32 -8.658 11.060 9.234 1.00 0.00 C ATOM 369 NE1 TRP A 32 -9.955 10.642 11.013 1.00 0.00 N ATOM 370 CE2 TRP A 32 -9.832 11.445 9.910 1.00 0.00 C ATOM 371 CE3 TRP A 32 -8.305 11.736 8.062 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -10.653 12.472 9.453 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -9.121 12.756 7.610 1.00 0.00 C ATOM 374 CH2 TRP A 32 -10.283 13.116 8.304 1.00 0.00 C ATOM 0 H TRP A 32 -5.027 8.888 7.732 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.956 11.189 9.344 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.002 8.560 8.827 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.532 8.624 10.514 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -8.736 9.018 11.809 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.710 10.686 11.697 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.411 11.466 7.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.550 12.750 9.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.858 13.285 6.706 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.899 13.918 7.925 1.00 0.00 H new ATOM 385 N CYS A 33 -3.606 9.000 10.005 1.00 0.00 N ATOM 386 CA CYS A 33 -2.467 8.714 10.872 1.00 0.00 C ATOM 387 C CYS A 33 -1.191 9.358 10.326 1.00 0.00 C ATOM 388 O CYS A 33 -1.080 9.614 9.124 1.00 0.00 O ATOM 389 CB CYS A 33 -2.268 7.200 11.008 1.00 0.00 C ATOM 390 SG CYS A 33 -2.106 6.328 9.433 1.00 0.00 S ATOM 0 H CYS A 33 -3.660 8.410 9.175 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.676 9.137 11.855 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.376 7.015 11.606 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.112 6.782 11.556 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.931 5.059 9.655 1.00 0.00 H new ATOM 396 N PRO A 34 -0.203 9.624 11.206 1.00 0.00 N ATOM 397 CA PRO A 34 1.073 10.237 10.808 1.00 0.00 C ATOM 398 C PRO A 34 1.934 9.319 9.935 1.00 0.00 C ATOM 399 O PRO A 34 2.917 9.763 9.342 1.00 0.00 O ATOM 400 CB PRO A 34 1.776 10.507 12.140 1.00 0.00 C ATOM 401 CG PRO A 34 1.170 9.543 13.100 1.00 0.00 C ATOM 402 CD PRO A 34 -0.253 9.347 12.656 1.00 0.00 C ATOM 0 HA PRO A 34 0.910 11.128 10.202 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.852 10.356 12.056 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.623 11.536 12.465 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.712 8.598 13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.210 9.930 14.118 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.601 8.334 12.859 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.932 10.027 13.171 1.00 0.00 H new ATOM 410 N ASP A 35 1.565 8.037 9.860 1.00 0.00 N ATOM 411 CA ASP A 35 2.309 7.070 9.057 1.00 0.00 C ATOM 412 C ASP A 35 2.026 7.254 7.567 1.00 0.00 C ATOM 413 O ASP A 35 2.880 6.967 6.727 1.00 0.00 O ATOM 414 CB ASP A 35 1.963 5.639 9.478 1.00 0.00 C ATOM 415 CG ASP A 35 2.642 5.233 10.771 1.00 0.00 C ATOM 416 OD1 ASP A 35 3.837 5.552 10.944 1.00 0.00 O ATOM 417 OD2 ASP A 35 1.979 4.591 11.611 1.00 0.00 O ATOM 0 H ASP A 35 0.757 7.648 10.346 1.00 0.00 H new ATOM 0 HA ASP A 35 3.371 7.245 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.883 5.549 9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.256 4.950 8.686 1.00 0.00 H new ATOM 422 N CYS A 36 0.825 7.728 7.242 1.00 0.00 N ATOM 423 CA CYS A 36 0.444 7.941 5.849 1.00 0.00 C ATOM 424 C CYS A 36 1.048 9.231 5.304 1.00 0.00 C ATOM 425 O CYS A 36 1.649 9.233 4.231 1.00 0.00 O ATOM 426 CB CYS A 36 -1.076 7.969 5.700 1.00 0.00 C ATOM 427 SG CYS A 36 -1.640 8.065 3.984 1.00 0.00 S ATOM 0 H CYS A 36 0.103 7.970 7.921 1.00 0.00 H new ATOM 0 HA CYS A 36 0.837 7.106 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.493 7.073 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.470 8.823 6.250 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.513 9.021 3.867 1.00 0.00 H new ATOM 433 N VAL A 37 0.882 10.327 6.048 1.00 0.00 N ATOM 434 CA VAL A 37 1.417 11.627 5.632 1.00 0.00 C ATOM 435 C VAL A 37 2.904 11.526 5.266 1.00 0.00 C ATOM 436 O VAL A 37 3.363 12.178 4.327 1.00 0.00 O ATOM 437 CB VAL A 37 1.232 12.713 6.718 1.00 0.00 C ATOM 438 CG1 VAL A 37 -0.246 13.012 6.932 1.00 0.00 C ATOM 439 CG2 VAL A 37 1.896 12.297 8.025 1.00 0.00 C ATOM 0 H VAL A 37 0.384 10.341 6.938 1.00 0.00 H new ATOM 0 HA VAL A 37 0.846 11.922 4.752 1.00 0.00 H new ATOM 0 HB VAL A 37 1.718 13.625 6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.355 13.778 7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.684 13.368 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.758 12.104 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.751 13.078 8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.450 11.368 8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.963 12.147 7.859 1.00 0.00 H new ATOM 449 N TYR A 38 3.644 10.694 6.004 1.00 0.00 N ATOM 450 CA TYR A 38 5.070 10.495 5.745 1.00 0.00 C ATOM 451 C TYR A 38 5.277 9.696 4.457 1.00 0.00 C ATOM 452 O TYR A 38 6.145 10.024 3.648 1.00 0.00 O ATOM 453 CB TYR A 38 5.729 9.767 6.921 1.00 0.00 C ATOM 454 CG TYR A 38 7.238 9.663 6.812 1.00 0.00 C ATOM 455 CD1 TYR A 38 8.044 10.788 6.943 1.00 0.00 C ATOM 456 CD2 TYR A 38 7.856 8.439 6.579 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.420 10.698 6.849 1.00 0.00 C ATOM 458 CE2 TYR A 38 9.232 8.339 6.486 1.00 0.00 C ATOM 459 CZ TYR A 38 10.008 9.472 6.620 1.00 0.00 C ATOM 460 OH TYR A 38 11.378 9.377 6.529 1.00 0.00 O ATOM 0 H TYR A 38 3.278 10.149 6.785 1.00 0.00 H new ATOM 0 HA TYR A 38 5.535 11.474 5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.476 10.287 7.845 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.310 8.764 6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.587 11.750 7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.251 7.551 6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.031 11.582 6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.696 7.380 6.310 1.00 0.00 H new ATOM 0 HH TYR A 38 11.616 8.798 5.775 1.00 0.00 H new ATOM 470 N ALA A 39 4.471 8.645 4.278 1.00 0.00 N ATOM 471 CA ALA A 39 4.560 7.793 3.089 1.00 0.00 C ATOM 472 C ALA A 39 4.367 8.602 1.805 1.00 0.00 C ATOM 473 O ALA A 39 5.021 8.337 0.796 1.00 0.00 O ATOM 474 CB ALA A 39 3.535 6.670 3.160 1.00 0.00 C ATOM 0 H ALA A 39 3.749 8.364 4.942 1.00 0.00 H new ATOM 0 HA ALA A 39 5.560 7.360 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.615 6.047 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.722 6.062 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.533 7.095 3.216 1.00 0.00 H new ATOM 480 N ASN A 40 3.475 9.593 1.854 1.00 0.00 N ATOM 481 CA ASN A 40 3.209 10.441 0.695 1.00 0.00 C ATOM 482 C ASN A 40 4.357 11.415 0.471 1.00 0.00 C ATOM 483 O ASN A 40 4.661 11.775 -0.665 1.00 0.00 O ATOM 484 CB ASN A 40 1.899 11.211 0.881 1.00 0.00 C ATOM 485 CG ASN A 40 0.717 10.492 0.263 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.312 10.792 -0.860 1.00 0.00 O ATOM 487 ND2 ASN A 40 0.158 9.535 0.995 1.00 0.00 N ATOM 0 H ASN A 40 2.927 9.826 2.682 1.00 0.00 H new ATOM 0 HA ASN A 40 3.117 9.799 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.715 11.359 1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.995 12.200 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.640 9.015 0.631 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.527 9.320 1.921 1.00 0.00 H new ATOM 494 N SER A 41 4.995 11.835 1.564 1.00 0.00 N ATOM 495 CA SER A 41 6.113 12.764 1.487 1.00 0.00 C ATOM 496 C SER A 41 7.263 12.163 0.681 1.00 0.00 C ATOM 497 O SER A 41 7.875 12.842 -0.145 1.00 0.00 O ATOM 498 CB SER A 41 6.595 13.138 2.892 1.00 0.00 C ATOM 499 OG SER A 41 7.191 14.425 2.902 1.00 0.00 O ATOM 0 H SER A 41 4.753 11.544 2.511 1.00 0.00 H new ATOM 0 HA SER A 41 5.770 13.666 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.754 13.118 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.315 12.398 3.242 1.00 0.00 H new ATOM 0 HG SER A 41 7.489 14.641 3.810 1.00 0.00 H new ATOM 505 N ILE A 42 7.548 10.883 0.922 1.00 0.00 N ATOM 506 CA ILE A 42 8.622 10.190 0.215 1.00 0.00 C ATOM 507 C ILE A 42 8.296 10.046 -1.270 1.00 0.00 C ATOM 508 O ILE A 42 9.147 10.290 -2.125 1.00 0.00 O ATOM 509 CB ILE A 42 8.893 8.790 0.814 1.00 0.00 C ATOM 510 CG1 ILE A 42 9.068 8.877 2.334 1.00 0.00 C ATOM 511 CG2 ILE A 42 10.125 8.167 0.169 1.00 0.00 C ATOM 512 CD1 ILE A 42 10.247 9.722 2.768 1.00 0.00 C ATOM 0 H ILE A 42 7.050 10.307 1.601 1.00 0.00 H new ATOM 0 HA ILE A 42 9.519 10.799 0.332 1.00 0.00 H new ATOM 0 HB ILE A 42 8.033 8.154 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.158 9.288 2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.188 7.870 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.303 7.182 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.963 8.069 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.991 8.804 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.304 9.735 3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.166 9.300 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.120 10.740 2.399 1.00 0.00 H new ATOM 524 N TRP A 43 7.058 9.654 -1.571 1.00 0.00 N ATOM 525 CA TRP A 43 6.620 9.483 -2.955 1.00 0.00 C ATOM 526 C TRP A 43 6.610 10.819 -3.698 1.00 0.00 C ATOM 527 O TRP A 43 6.923 10.876 -4.888 1.00 0.00 O ATOM 528 CB TRP A 43 5.229 8.843 -3.003 1.00 0.00 C ATOM 529 CG TRP A 43 5.261 7.370 -3.284 1.00 0.00 C ATOM 530 CD1 TRP A 43 4.559 6.702 -4.247 1.00 0.00 C ATOM 531 CD2 TRP A 43 6.035 6.381 -2.593 1.00 0.00 C ATOM 532 NE1 TRP A 43 4.850 5.360 -4.197 1.00 0.00 N ATOM 533 CE2 TRP A 43 5.753 5.139 -3.191 1.00 0.00 C ATOM 534 CE3 TRP A 43 6.940 6.426 -1.529 1.00 0.00 C ATOM 535 CZ2 TRP A 43 6.342 3.953 -2.759 1.00 0.00 C ATOM 536 CZ3 TRP A 43 7.524 5.250 -1.100 1.00 0.00 C ATOM 537 CH2 TRP A 43 7.225 4.028 -1.716 1.00 0.00 C ATOM 0 H TRP A 43 6.341 9.449 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 43 7.330 8.821 -3.451 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.726 9.013 -2.051 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.635 9.339 -3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.875 7.161 -4.945 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.458 4.645 -4.809 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.179 7.364 -1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.110 3.009 -3.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.222 5.273 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.701 3.126 -1.360 1.00 0.00 H new ATOM 548 N ASN A 44 6.257 11.893 -2.988 1.00 0.00 N ATOM 549 CA ASN A 44 6.216 13.230 -3.578 1.00 0.00 C ATOM 550 C ASN A 44 7.620 13.713 -3.948 1.00 0.00 C ATOM 551 O ASN A 44 7.797 14.429 -4.934 1.00 0.00 O ATOM 552 CB ASN A 44 5.558 14.224 -2.613 1.00 0.00 C ATOM 553 CG ASN A 44 4.785 15.313 -3.332 1.00 0.00 C ATOM 554 OD1 ASN A 44 5.158 16.484 -3.291 1.00 0.00 O ATOM 555 ND2 ASN A 44 3.696 14.932 -3.993 1.00 0.00 N ATOM 0 H ASN A 44 5.995 11.861 -2.003 1.00 0.00 H new ATOM 0 HA ASN A 44 5.621 13.173 -4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.884 13.685 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.326 14.681 -1.989 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.135 15.622 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.422 13.950 -4.001 1.00 0.00 H new ATOM 562 N LYS A 45 8.613 13.313 -3.152 1.00 0.00 N ATOM 563 CA LYS A 45 10.001 13.701 -3.396 1.00 0.00 C ATOM 564 C LYS A 45 10.646 12.800 -4.448 1.00 0.00 C ATOM 565 O LYS A 45 11.504 13.244 -5.211 1.00 0.00 O ATOM 566 CB LYS A 45 10.809 13.637 -2.095 1.00 0.00 C ATOM 567 CG LYS A 45 11.870 14.721 -1.979 1.00 0.00 C ATOM 568 CD LYS A 45 12.762 14.512 -0.763 1.00 0.00 C ATOM 569 CE LYS A 45 13.803 13.427 -1.008 1.00 0.00 C ATOM 570 NZ LYS A 45 15.117 13.993 -1.424 1.00 0.00 N ATOM 0 H LYS A 45 8.481 12.720 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 45 10.001 14.725 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.126 13.718 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.290 12.661 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.482 14.729 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.387 15.696 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.263 15.447 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.149 14.240 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.934 12.839 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.442 12.746 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.795 13.219 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.999 14.533 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.476 14.622 -0.678 1.00 0.00 H new ATOM 584 N LEU A 46 10.230 11.534 -4.482 1.00 0.00 N ATOM 585 CA LEU A 46 10.773 10.575 -5.441 1.00 0.00 C ATOM 586 C LEU A 46 10.097 10.693 -6.813 1.00 0.00 C ATOM 587 O LEU A 46 10.533 10.056 -7.774 1.00 0.00 O ATOM 588 CB LEU A 46 10.615 9.147 -4.912 1.00 0.00 C ATOM 589 CG LEU A 46 11.696 8.691 -3.931 1.00 0.00 C ATOM 590 CD1 LEU A 46 11.293 7.381 -3.267 1.00 0.00 C ATOM 591 CD2 LEU A 46 13.035 8.545 -4.643 1.00 0.00 C ATOM 0 H LEU A 46 9.520 11.150 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 46 11.831 10.805 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.645 9.064 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.604 8.462 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 46 11.803 9.449 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.073 7.070 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.358 7.521 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.159 6.613 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.793 8.220 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.945 7.806 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.327 9.505 -5.070 1.00 0.00 H new ATOM 603 N ASN A 47 9.035 11.504 -6.901 1.00 0.00 N ATOM 604 CA ASN A 47 8.308 11.695 -8.152 1.00 0.00 C ATOM 605 C ASN A 47 7.928 10.351 -8.777 1.00 0.00 C ATOM 606 O ASN A 47 8.174 10.110 -9.961 1.00 0.00 O ATOM 607 CB ASN A 47 9.148 12.519 -9.129 1.00 0.00 C ATOM 608 CG ASN A 47 8.370 12.945 -10.362 1.00 0.00 C ATOM 609 OD1 ASN A 47 7.155 12.766 -10.438 1.00 0.00 O ATOM 610 ND2 ASN A 47 9.071 13.518 -11.337 1.00 0.00 N ATOM 0 H ASN A 47 8.663 12.038 -6.115 1.00 0.00 H new ATOM 0 HA ASN A 47 7.388 12.237 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.525 13.405 -8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.016 11.935 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.602 13.828 -12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.077 13.647 -11.233 1.00 0.00 H new ATOM 617 N VAL A 48 7.330 9.481 -7.969 1.00 0.00 N ATOM 618 CA VAL A 48 6.914 8.161 -8.437 1.00 0.00 C ATOM 619 C VAL A 48 5.431 7.914 -8.143 1.00 0.00 C ATOM 620 O VAL A 48 5.021 6.784 -7.877 1.00 0.00 O ATOM 621 CB VAL A 48 7.761 7.038 -7.793 1.00 0.00 C ATOM 622 CG1 VAL A 48 9.209 7.124 -8.256 1.00 0.00 C ATOM 623 CG2 VAL A 48 7.671 7.099 -6.273 1.00 0.00 C ATOM 0 H VAL A 48 7.122 9.665 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 48 7.072 8.142 -9.515 1.00 0.00 H new ATOM 0 HB VAL A 48 7.359 6.078 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.788 6.325 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.251 7.019 -9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.626 8.089 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.274 6.301 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.042 8.063 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.633 6.977 -5.965 1.00 0.00 H new ATOM 633 N GLN A 49 4.631 8.984 -8.196 1.00 0.00 N ATOM 634 CA GLN A 49 3.192 8.886 -7.934 1.00 0.00 C ATOM 635 C GLN A 49 2.427 8.437 -9.181 1.00 0.00 C ATOM 636 O GLN A 49 1.376 7.806 -9.075 1.00 0.00 O ATOM 637 CB GLN A 49 2.639 10.230 -7.440 1.00 0.00 C ATOM 638 CG GLN A 49 2.707 11.344 -8.477 1.00 0.00 C ATOM 639 CD GLN A 49 1.765 12.491 -8.164 1.00 0.00 C ATOM 640 OE1 GLN A 49 2.194 13.632 -7.994 1.00 0.00 O ATOM 641 NE2 GLN A 49 0.471 12.195 -8.083 1.00 0.00 N ATOM 0 H GLN A 49 4.955 9.926 -8.417 1.00 0.00 H new ATOM 0 HA GLN A 49 3.051 8.135 -7.157 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.602 10.095 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.195 10.537 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.728 11.722 -8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.464 10.937 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.157 11.236 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.207 12.927 -7.873 1.00 0.00 H new ATOM 650 N ASP A 50 2.959 8.769 -10.358 1.00 0.00 N ATOM 651 CA ASP A 50 2.325 8.402 -11.624 1.00 0.00 C ATOM 652 C ASP A 50 2.577 6.933 -11.961 1.00 0.00 C ATOM 653 O ASP A 50 1.671 6.228 -12.404 1.00 0.00 O ATOM 654 CB ASP A 50 2.839 9.296 -12.757 1.00 0.00 C ATOM 655 CG ASP A 50 4.354 9.291 -12.867 1.00 0.00 C ATOM 656 OD1 ASP A 50 5.015 9.899 -11.996 1.00 0.00 O ATOM 657 OD2 ASP A 50 4.879 8.678 -13.819 1.00 0.00 O ATOM 0 H ASP A 50 3.829 9.292 -10.460 1.00 0.00 H new ATOM 0 HA ASP A 50 1.250 8.548 -11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.409 8.962 -13.701 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.494 10.317 -12.593 1.00 0.00 H new ATOM 662 N LYS A 51 3.814 6.478 -11.749 1.00 0.00 N ATOM 663 CA LYS A 51 4.183 5.089 -12.031 1.00 0.00 C ATOM 664 C LYS A 51 3.437 4.114 -11.113 1.00 0.00 C ATOM 665 O LYS A 51 3.272 2.940 -11.448 1.00 0.00 O ATOM 666 CB LYS A 51 5.695 4.898 -11.882 1.00 0.00 C ATOM 667 CG LYS A 51 6.484 5.330 -13.111 1.00 0.00 C ATOM 668 CD LYS A 51 7.568 4.324 -13.467 1.00 0.00 C ATOM 669 CE LYS A 51 8.958 4.878 -13.197 1.00 0.00 C ATOM 670 NZ LYS A 51 10.030 3.941 -13.641 1.00 0.00 N ATOM 0 H LYS A 51 4.576 7.050 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 51 3.895 4.872 -13.060 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.042 5.466 -11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.902 3.848 -11.677 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.806 5.448 -13.956 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.938 6.304 -12.928 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.421 3.411 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.482 4.053 -14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.074 5.832 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.068 5.076 -12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.628 3.687 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.598 3.081 -14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.613 4.401 -14.369 1.00 0.00 H new ATOM 684 N VAL A 52 2.981 4.611 -9.961 1.00 0.00 N ATOM 685 CA VAL A 52 2.246 3.794 -9.000 1.00 0.00 C ATOM 686 C VAL A 52 0.771 4.199 -8.974 1.00 0.00 C ATOM 687 O VAL A 52 0.416 5.284 -9.434 1.00 0.00 O ATOM 688 CB VAL A 52 2.847 3.945 -7.582 1.00 0.00 C ATOM 689 CG1 VAL A 52 2.630 5.357 -7.054 1.00 0.00 C ATOM 690 CG2 VAL A 52 2.260 2.915 -6.626 1.00 0.00 C ATOM 0 H VAL A 52 3.110 5.581 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 52 2.328 2.752 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 52 3.920 3.766 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.060 5.442 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.113 6.073 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.562 5.568 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.700 3.044 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.180 3.051 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.479 1.912 -6.992 1.00 0.00 H new ATOM 700 N PHE A 53 -0.081 3.339 -8.419 1.00 0.00 N ATOM 701 CA PHE A 53 -1.500 3.640 -8.325 1.00 0.00 C ATOM 702 C PHE A 53 -1.934 3.642 -6.865 1.00 0.00 C ATOM 703 O PHE A 53 -1.957 2.601 -6.203 1.00 0.00 O ATOM 704 CB PHE A 53 -2.324 2.627 -9.127 1.00 0.00 C ATOM 705 CG PHE A 53 -1.965 2.578 -10.588 1.00 0.00 C ATOM 706 CD1 PHE A 53 -2.147 3.688 -11.399 1.00 0.00 C ATOM 707 CD2 PHE A 53 -1.447 1.421 -11.151 1.00 0.00 C ATOM 708 CE1 PHE A 53 -1.819 3.645 -12.742 1.00 0.00 C ATOM 709 CE2 PHE A 53 -1.119 1.371 -12.492 1.00 0.00 C ATOM 710 CZ PHE A 53 -1.305 2.485 -13.288 1.00 0.00 C ATOM 0 H PHE A 53 0.188 2.435 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.675 4.629 -8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.186 1.636 -8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.381 2.873 -9.030 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.550 4.597 -10.977 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.298 0.548 -10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.965 4.517 -13.363 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.718 0.463 -12.917 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.049 2.449 -14.337 1.00 0.00 H new ATOM 720 N VAL A 54 -2.264 4.826 -6.374 1.00 0.00 N ATOM 721 CA VAL A 54 -2.693 5.004 -4.987 1.00 0.00 C ATOM 722 C VAL A 54 -4.214 4.936 -4.860 1.00 0.00 C ATOM 723 O VAL A 54 -4.942 5.372 -5.752 1.00 0.00 O ATOM 724 CB VAL A 54 -2.200 6.354 -4.413 1.00 0.00 C ATOM 725 CG1 VAL A 54 -2.507 6.455 -2.926 1.00 0.00 C ATOM 726 CG2 VAL A 54 -0.708 6.537 -4.666 1.00 0.00 C ATOM 0 H VAL A 54 -2.244 5.689 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.250 4.188 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.734 7.153 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.151 7.412 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.583 6.380 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.007 5.645 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.384 7.493 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.156 5.729 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.516 6.521 -5.739 1.00 0.00 H new ATOM 736 N PHE A 55 -4.681 4.386 -3.741 1.00 0.00 N ATOM 737 CA PHE A 55 -6.108 4.255 -3.477 1.00 0.00 C ATOM 738 C PHE A 55 -6.449 4.767 -2.079 1.00 0.00 C ATOM 739 O PHE A 55 -6.304 4.047 -1.089 1.00 0.00 O ATOM 740 CB PHE A 55 -6.538 2.796 -3.628 1.00 0.00 C ATOM 741 CG PHE A 55 -8.028 2.591 -3.602 1.00 0.00 C ATOM 742 CD1 PHE A 55 -8.826 3.067 -4.631 1.00 0.00 C ATOM 743 CD2 PHE A 55 -8.629 1.921 -2.549 1.00 0.00 C ATOM 744 CE1 PHE A 55 -10.195 2.878 -4.610 1.00 0.00 C ATOM 745 CE2 PHE A 55 -9.996 1.726 -2.524 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.780 2.205 -3.555 1.00 0.00 C ATOM 0 H PHE A 55 -4.084 4.022 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.651 4.860 -4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.145 2.407 -4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.087 2.210 -2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.372 3.592 -5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.022 1.547 -1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.806 3.256 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.452 1.199 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.849 2.054 -3.536 1.00 0.00 H new ATOM 756 N ASP A 56 -6.903 6.016 -2.008 1.00 0.00 N ATOM 757 CA ASP A 56 -7.269 6.631 -0.736 1.00 0.00 C ATOM 758 C ASP A 56 -8.649 6.160 -0.287 1.00 0.00 C ATOM 759 O ASP A 56 -9.540 5.947 -1.112 1.00 0.00 O ATOM 760 CB ASP A 56 -7.242 8.157 -0.854 1.00 0.00 C ATOM 761 CG ASP A 56 -5.895 8.742 -0.472 1.00 0.00 C ATOM 762 OD1 ASP A 56 -4.894 8.421 -1.146 1.00 0.00 O ATOM 763 OD2 ASP A 56 -5.842 9.520 0.504 1.00 0.00 O ATOM 0 H ASP A 56 -7.026 6.623 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.540 6.325 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.483 8.444 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.015 8.582 -0.214 1.00 0.00 H new ATOM 768 N ILE A 57 -8.817 5.990 1.023 1.00 0.00 N ATOM 769 CA ILE A 57 -10.088 5.535 1.578 1.00 0.00 C ATOM 770 C ILE A 57 -10.906 6.699 2.136 1.00 0.00 C ATOM 771 O ILE A 57 -11.166 6.776 3.339 1.00 0.00 O ATOM 772 CB ILE A 57 -9.874 4.466 2.675 1.00 0.00 C ATOM 773 CG1 ILE A 57 -8.932 4.979 3.771 1.00 0.00 C ATOM 774 CG2 ILE A 57 -9.321 3.190 2.056 1.00 0.00 C ATOM 775 CD1 ILE A 57 -9.350 4.570 5.168 1.00 0.00 C ATOM 0 H ILE A 57 -8.090 6.160 1.718 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.647 5.084 0.758 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.838 4.251 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.926 4.607 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.885 6.067 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.173 2.442 2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.026 2.809 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.368 3.404 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.638 4.968 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.343 4.965 5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.370 3.482 5.238 1.00 0.00 H new ATOM 787 N GLY A 58 -11.308 7.605 1.245 1.00 0.00 N ATOM 788 CA GLY A 58 -12.093 8.761 1.648 1.00 0.00 C ATOM 789 C GLY A 58 -13.533 8.708 1.159 1.00 0.00 C ATOM 790 O GLY A 58 -14.434 9.211 1.828 1.00 0.00 O ATOM 0 H GLY A 58 -11.102 7.558 0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.088 8.834 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.619 9.665 1.265 1.00 0.00 H new ATOM 794 N SER A 59 -13.753 8.104 -0.012 1.00 0.00 N ATOM 795 CA SER A 59 -15.097 8.002 -0.580 1.00 0.00 C ATOM 796 C SER A 59 -15.749 6.657 -0.246 1.00 0.00 C ATOM 797 O SER A 59 -16.466 6.083 -1.068 1.00 0.00 O ATOM 798 CB SER A 59 -15.054 8.198 -2.100 1.00 0.00 C ATOM 799 OG SER A 59 -14.350 9.380 -2.447 1.00 0.00 O ATOM 0 H SER A 59 -13.021 7.681 -0.582 1.00 0.00 H new ATOM 0 HA SER A 59 -15.702 8.791 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.576 7.337 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.070 8.249 -2.491 1.00 0.00 H new ATOM 0 HG SER A 59 -14.337 9.479 -3.422 1.00 0.00 H new ATOM 805 N LEU A 60 -15.502 6.162 0.966 1.00 0.00 N ATOM 806 CA LEU A 60 -16.073 4.891 1.405 1.00 0.00 C ATOM 807 C LEU A 60 -16.394 4.915 2.901 1.00 0.00 C ATOM 808 O LEU A 60 -15.498 5.054 3.736 1.00 0.00 O ATOM 809 CB LEU A 60 -15.121 3.734 1.075 1.00 0.00 C ATOM 810 CG LEU A 60 -13.820 3.687 1.885 1.00 0.00 C ATOM 811 CD1 LEU A 60 -13.942 2.701 3.039 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.650 3.313 0.987 1.00 0.00 C ATOM 0 H LEU A 60 -14.912 6.621 1.660 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.008 4.738 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.654 2.796 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.866 3.789 0.017 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.636 4.678 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.009 2.682 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.756 3.009 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.149 1.705 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.734 3.284 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.829 2.333 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.548 4.054 0.195 1.00 0.00 H new ATOM 824 N PRO A 61 -17.689 4.784 3.260 1.00 0.00 N ATOM 825 CA PRO A 61 -18.136 4.792 4.660 1.00 0.00 C ATOM 826 C PRO A 61 -17.558 3.625 5.464 1.00 0.00 C ATOM 827 O PRO A 61 -16.761 2.837 4.948 1.00 0.00 O ATOM 828 CB PRO A 61 -19.667 4.669 4.555 1.00 0.00 C ATOM 829 CG PRO A 61 -19.995 5.058 3.152 1.00 0.00 C ATOM 830 CD PRO A 61 -18.821 4.623 2.329 1.00 0.00 C ATOM 0 HA PRO A 61 -17.805 5.689 5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.996 3.652 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.165 5.322 5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.911 4.573 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.154 6.133 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.924 3.591 1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.702 5.239 1.438 1.00 0.00 H new ATOM 838 N ARG A 62 -17.967 3.521 6.732 1.00 0.00 N ATOM 839 CA ARG A 62 -17.493 2.453 7.616 1.00 0.00 C ATOM 840 C ARG A 62 -17.794 1.072 7.031 1.00 0.00 C ATOM 841 O ARG A 62 -17.031 0.125 7.241 1.00 0.00 O ATOM 842 CB ARG A 62 -18.126 2.582 9.009 1.00 0.00 C ATOM 843 CG ARG A 62 -17.596 1.572 10.022 1.00 0.00 C ATOM 844 CD ARG A 62 -16.538 2.185 10.931 1.00 0.00 C ATOM 845 NE ARG A 62 -17.069 2.502 12.256 1.00 0.00 N ATOM 846 CZ ARG A 62 -17.499 3.713 12.628 1.00 0.00 C ATOM 847 NH1 ARG A 62 -17.441 4.744 11.786 1.00 0.00 N ATOM 848 NH2 ARG A 62 -17.986 3.895 13.849 1.00 0.00 N ATOM 0 H ARG A 62 -18.626 4.165 7.169 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.412 2.557 7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.948 3.589 9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -19.206 2.461 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.421 1.196 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.172 0.717 9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -15.702 1.493 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.147 3.092 10.471 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.115 1.749 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.066 4.615 10.846 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.772 5.663 12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -18.032 3.112 14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.314 4.817 14.135 1.00 0.00 H new ATOM 862 N ASN A 63 -18.904 0.962 6.296 1.00 0.00 N ATOM 863 CA ASN A 63 -19.298 -0.307 5.681 1.00 0.00 C ATOM 864 C ASN A 63 -18.180 -0.869 4.805 1.00 0.00 C ATOM 865 O ASN A 63 -17.914 -2.069 4.827 1.00 0.00 O ATOM 866 CB ASN A 63 -20.571 -0.127 4.848 1.00 0.00 C ATOM 867 CG ASN A 63 -21.574 -1.247 5.070 1.00 0.00 C ATOM 868 OD1 ASN A 63 -21.504 -1.970 6.063 1.00 0.00 O ATOM 869 ND2 ASN A 63 -22.514 -1.397 4.142 1.00 0.00 N ATOM 0 H ASN A 63 -19.544 1.735 6.113 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.494 -1.017 6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.034 0.827 5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -20.307 -0.084 3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.213 -2.134 4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -22.536 -0.776 3.334 1.00 0.00 H new ATOM 876 N GLU A 64 -17.525 0.002 4.039 1.00 0.00 N ATOM 877 CA GLU A 64 -16.433 -0.423 3.171 1.00 0.00 C ATOM 878 C GLU A 64 -15.154 -0.647 3.977 1.00 0.00 C ATOM 879 O GLU A 64 -14.347 -1.516 3.646 1.00 0.00 O ATOM 880 CB GLU A 64 -16.183 0.613 2.071 1.00 0.00 C ATOM 881 CG GLU A 64 -17.043 0.411 0.834 1.00 0.00 C ATOM 882 CD GLU A 64 -16.629 -0.807 0.031 1.00 0.00 C ATOM 883 OE1 GLU A 64 -17.115 -1.914 0.339 1.00 0.00 O ATOM 884 OE2 GLU A 64 -15.815 -0.655 -0.903 1.00 0.00 O ATOM 0 H GLU A 64 -17.731 1.000 4.003 1.00 0.00 H new ATOM 0 HA GLU A 64 -16.722 -1.366 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.369 1.609 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.133 0.577 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -18.086 0.307 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.979 1.297 0.203 1.00 0.00 H new ATOM 891 N GLN A 65 -14.976 0.143 5.042 1.00 0.00 N ATOM 892 CA GLN A 65 -13.797 0.028 5.900 1.00 0.00 C ATOM 893 C GLN A 65 -13.623 -1.403 6.406 1.00 0.00 C ATOM 894 O GLN A 65 -12.539 -1.975 6.300 1.00 0.00 O ATOM 895 CB GLN A 65 -13.900 0.989 7.090 1.00 0.00 C ATOM 896 CG GLN A 65 -13.163 2.304 6.884 1.00 0.00 C ATOM 897 CD GLN A 65 -13.746 3.437 7.708 1.00 0.00 C ATOM 898 OE1 GLN A 65 -14.164 3.239 8.851 1.00 0.00 O ATOM 899 NE2 GLN A 65 -13.778 4.633 7.132 1.00 0.00 N ATOM 0 H GLN A 65 -15.634 0.868 5.328 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.925 0.293 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.952 1.199 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.504 0.496 7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.113 2.172 7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.197 2.573 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.421 4.752 6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.159 5.433 7.638 1.00 0.00 H new ATOM 908 N GLU A 66 -14.697 -1.980 6.955 1.00 0.00 N ATOM 909 CA GLU A 66 -14.647 -3.348 7.470 1.00 0.00 C ATOM 910 C GLU A 66 -14.359 -4.344 6.348 1.00 0.00 C ATOM 911 O GLU A 66 -13.567 -5.271 6.521 1.00 0.00 O ATOM 912 CB GLU A 66 -15.956 -3.720 8.183 1.00 0.00 C ATOM 913 CG GLU A 66 -17.214 -3.453 7.366 1.00 0.00 C ATOM 914 CD GLU A 66 -18.390 -4.302 7.812 1.00 0.00 C ATOM 915 OE1 GLU A 66 -18.909 -4.059 8.923 1.00 0.00 O ATOM 916 OE2 GLU A 66 -18.790 -5.209 7.053 1.00 0.00 O ATOM 0 H GLU A 66 -15.604 -1.523 7.053 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.834 -3.396 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.925 -4.778 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.018 -3.162 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.479 -2.399 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.008 -3.648 6.314 1.00 0.00 H new ATOM 923 N LYS A 67 -15.003 -4.141 5.197 1.00 0.00 N ATOM 924 CA LYS A 67 -14.815 -5.016 4.041 1.00 0.00 C ATOM 925 C LYS A 67 -13.346 -5.069 3.623 1.00 0.00 C ATOM 926 O LYS A 67 -12.836 -6.127 3.248 1.00 0.00 O ATOM 927 CB LYS A 67 -15.678 -4.540 2.867 1.00 0.00 C ATOM 928 CG LYS A 67 -16.215 -5.667 1.999 1.00 0.00 C ATOM 929 CD LYS A 67 -17.570 -5.310 1.402 1.00 0.00 C ATOM 930 CE LYS A 67 -17.507 -5.221 -0.116 1.00 0.00 C ATOM 931 NZ LYS A 67 -18.412 -4.166 -0.651 1.00 0.00 N ATOM 0 H LYS A 67 -15.660 -3.377 5.042 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.125 -6.021 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -16.517 -3.963 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.089 -3.866 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.507 -5.880 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.306 -6.575 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -18.305 -6.060 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.908 -4.357 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.483 -5.011 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.779 -6.185 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.326 -4.127 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.395 -4.388 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.148 -3.245 -0.247 1.00 0.00 H new ATOM 945 N TRP A 68 -12.669 -3.922 3.690 1.00 0.00 N ATOM 946 CA TRP A 68 -11.259 -3.840 3.317 1.00 0.00 C ATOM 947 C TRP A 68 -10.366 -4.488 4.373 1.00 0.00 C ATOM 948 O TRP A 68 -9.439 -5.224 4.036 1.00 0.00 O ATOM 949 CB TRP A 68 -10.843 -2.381 3.105 1.00 0.00 C ATOM 950 CG TRP A 68 -11.211 -1.853 1.752 1.00 0.00 C ATOM 951 CD1 TRP A 68 -12.029 -0.797 1.478 1.00 0.00 C ATOM 952 CD2 TRP A 68 -10.774 -2.362 0.486 1.00 0.00 C ATOM 953 NE1 TRP A 68 -12.130 -0.617 0.120 1.00 0.00 N ATOM 954 CE2 TRP A 68 -11.369 -1.565 -0.511 1.00 0.00 C ATOM 955 CE3 TRP A 68 -9.938 -3.413 0.098 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -11.154 -1.787 -1.868 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -9.725 -3.632 -1.250 1.00 0.00 C ATOM 958 CH2 TRP A 68 -10.331 -2.823 -2.219 1.00 0.00 C ATOM 0 H TRP A 68 -13.075 -3.039 3.999 1.00 0.00 H new ATOM 0 HA TRP A 68 -11.133 -4.386 2.382 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -11.312 -1.762 3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -9.765 -2.294 3.241 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -12.525 -0.190 2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -12.682 0.105 -0.343 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -9.467 -4.043 0.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -11.620 -1.164 -2.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -9.080 -4.441 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -10.145 -3.020 -3.264 1.00 0.00 H new ATOM 969 N ARG A 69 -10.646 -4.210 5.647 1.00 0.00 N ATOM 970 CA ARG A 69 -9.857 -4.772 6.745 1.00 0.00 C ATOM 971 C ARG A 69 -9.827 -6.300 6.687 1.00 0.00 C ATOM 972 O ARG A 69 -8.793 -6.914 6.952 1.00 0.00 O ATOM 973 CB ARG A 69 -10.403 -4.309 8.099 1.00 0.00 C ATOM 974 CG ARG A 69 -10.132 -2.841 8.395 1.00 0.00 C ATOM 975 CD ARG A 69 -10.533 -2.467 9.814 1.00 0.00 C ATOM 976 NE ARG A 69 -11.410 -1.296 9.847 1.00 0.00 N ATOM 977 CZ ARG A 69 -11.602 -0.535 10.930 1.00 0.00 C ATOM 978 NH1 ARG A 69 -10.984 -0.822 12.074 1.00 0.00 N ATOM 979 NH2 ARG A 69 -12.414 0.513 10.869 1.00 0.00 N ATOM 0 H ARG A 69 -11.409 -3.602 5.944 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.836 -4.407 6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.478 -4.484 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -9.960 -4.918 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.072 -2.631 8.249 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.681 -2.220 7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.039 -3.312 10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.638 -2.266 10.402 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.905 -1.045 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.359 -1.627 12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.135 -0.237 12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.892 0.738 9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.561 1.093 11.695 1.00 0.00 H new ATOM 993 N ILE A 70 -10.961 -6.911 6.335 1.00 0.00 N ATOM 994 CA ILE A 70 -11.048 -8.368 6.243 1.00 0.00 C ATOM 995 C ILE A 70 -10.235 -8.893 5.061 1.00 0.00 C ATOM 996 O ILE A 70 -9.399 -9.785 5.219 1.00 0.00 O ATOM 997 CB ILE A 70 -12.510 -8.850 6.105 1.00 0.00 C ATOM 998 CG1 ILE A 70 -13.383 -8.256 7.216 1.00 0.00 C ATOM 999 CG2 ILE A 70 -12.572 -10.373 6.135 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -14.819 -8.016 6.797 1.00 0.00 C ATOM 0 H ILE A 70 -11.827 -6.421 6.110 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.637 -8.764 7.172 1.00 0.00 H new ATOM 0 HB ILE A 70 -12.896 -8.505 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.371 -8.928 8.074 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.947 -7.313 7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.608 -10.697 6.037 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.986 -10.777 5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.167 -10.735 7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.377 -7.595 7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -14.842 -7.320 5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.273 -8.960 6.497 1.00 0.00 H new ATOM 1012 N ALA A 71 -10.491 -8.339 3.874 1.00 0.00 N ATOM 1013 CA ALA A 71 -9.785 -8.754 2.663 1.00 0.00 C ATOM 1014 C ALA A 71 -8.277 -8.600 2.820 1.00 0.00 C ATOM 1015 O ALA A 71 -7.527 -9.555 2.623 1.00 0.00 O ATOM 1016 CB ALA A 71 -10.273 -7.962 1.456 1.00 0.00 C ATOM 0 H ALA A 71 -11.181 -7.603 3.727 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.002 -9.810 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.734 -8.287 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.341 -8.132 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.094 -6.900 1.621 1.00 0.00 H new ATOM 1022 N PHE A 72 -7.837 -7.393 3.182 1.00 0.00 N ATOM 1023 CA PHE A 72 -6.413 -7.114 3.368 1.00 0.00 C ATOM 1024 C PHE A 72 -5.789 -8.064 4.393 1.00 0.00 C ATOM 1025 O PHE A 72 -4.634 -8.462 4.248 1.00 0.00 O ATOM 1026 CB PHE A 72 -6.200 -5.662 3.807 1.00 0.00 C ATOM 1027 CG PHE A 72 -5.738 -4.759 2.696 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -6.654 -4.129 1.867 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -4.385 -4.537 2.480 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -6.231 -3.297 0.847 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -3.957 -3.704 1.463 1.00 0.00 C ATOM 1032 CZ PHE A 72 -4.881 -3.084 0.646 1.00 0.00 C ATOM 0 H PHE A 72 -8.447 -6.594 3.352 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.920 -7.272 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.133 -5.274 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.466 -5.639 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.711 -4.290 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.657 -5.021 3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.955 -2.814 0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.901 -3.539 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.549 -2.433 -0.149 1.00 0.00 H new ATOM 1042 N GLN A 73 -6.553 -8.433 5.422 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.055 -9.343 6.454 1.00 0.00 C ATOM 1044 C GLN A 73 -5.818 -10.743 5.885 1.00 0.00 C ATOM 1045 O GLN A 73 -4.874 -11.428 6.279 1.00 0.00 O ATOM 1046 CB GLN A 73 -7.033 -9.417 7.631 1.00 0.00 C ATOM 1047 CG GLN A 73 -6.585 -8.615 8.846 1.00 0.00 C ATOM 1048 CD GLN A 73 -6.178 -9.494 10.019 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -6.671 -9.324 11.135 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -5.270 -10.434 9.776 1.00 0.00 N ATOM 0 H GLN A 73 -7.513 -8.118 5.563 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.104 -8.948 6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.008 -9.054 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.161 -10.460 7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.745 -7.980 8.566 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.394 -7.954 9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.886 -10.542 8.837 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.957 -11.047 10.528 1.00 0.00 H new ATOM 1059 N LYS A 74 -6.680 -11.168 4.961 1.00 0.00 N ATOM 1060 CA LYS A 74 -6.557 -12.485 4.345 1.00 0.00 C ATOM 1061 C LYS A 74 -5.534 -12.480 3.207 1.00 0.00 C ATOM 1062 O LYS A 74 -4.912 -13.503 2.921 1.00 0.00 O ATOM 1063 CB LYS A 74 -7.916 -12.945 3.817 1.00 0.00 C ATOM 1064 CG LYS A 74 -8.286 -14.362 4.233 1.00 0.00 C ATOM 1065 CD LYS A 74 -9.184 -15.042 3.207 1.00 0.00 C ATOM 1066 CE LYS A 74 -8.699 -16.448 2.881 1.00 0.00 C ATOM 1067 NZ LYS A 74 -9.389 -17.018 1.689 1.00 0.00 N ATOM 0 H LYS A 74 -7.470 -10.618 4.624 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.208 -13.179 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.685 -12.259 4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.913 -12.884 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.378 -14.950 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.793 -14.336 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.204 -15.088 3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.212 -14.446 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.624 -16.427 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.866 -17.097 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.672 -17.999 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.233 -16.451 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.743 -17.003 0.874 1.00 0.00 H new ATOM 1081 N VAL A 75 -5.369 -11.328 2.556 1.00 0.00 N ATOM 1082 CA VAL A 75 -4.430 -11.201 1.447 1.00 0.00 C ATOM 1083 C VAL A 75 -3.002 -11.001 1.953 1.00 0.00 C ATOM 1084 O VAL A 75 -2.074 -11.657 1.479 1.00 0.00 O ATOM 1085 CB VAL A 75 -4.808 -10.035 0.504 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -3.884 -10.001 -0.708 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -6.264 -10.149 0.065 1.00 0.00 C ATOM 0 H VAL A 75 -5.875 -10.471 2.779 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.484 -12.133 0.884 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.687 -9.101 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.167 -9.173 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.854 -9.866 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.969 -10.939 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.510 -9.319 -0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.412 -11.091 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.912 -10.118 0.941 1.00 0.00 H new ATOM 1097 N VAL A 76 -2.829 -10.091 2.912 1.00 0.00 N ATOM 1098 CA VAL A 76 -1.507 -9.819 3.467 1.00 0.00 C ATOM 1099 C VAL A 76 -1.464 -10.010 4.985 1.00 0.00 C ATOM 1100 O VAL A 76 -0.482 -10.530 5.519 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.016 -8.394 3.118 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -0.660 -8.299 1.643 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -2.057 -7.347 3.492 1.00 0.00 C ATOM 0 H VAL A 76 -3.582 -9.535 3.317 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.838 -10.547 3.007 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.118 -8.194 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.317 -7.290 1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.132 -9.012 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.540 -8.527 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.684 -6.355 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.980 -7.540 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.253 -7.395 4.563 1.00 0.00 H new ATOM 1113 N GLY A 77 -2.523 -9.586 5.676 1.00 0.00 N ATOM 1114 CA GLY A 77 -2.573 -9.722 7.124 1.00 0.00 C ATOM 1115 C GLY A 77 -2.182 -8.446 7.846 1.00 0.00 C ATOM 1116 O GLY A 77 -1.458 -8.490 8.842 1.00 0.00 O ATOM 0 H GLY A 77 -3.346 -9.151 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.581 -10.010 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.907 -10.528 7.432 1.00 0.00 H new ATOM 1120 N SER A 78 -2.668 -7.309 7.348 1.00 0.00 N ATOM 1121 CA SER A 78 -2.372 -6.016 7.952 1.00 0.00 C ATOM 1122 C SER A 78 -3.659 -5.307 8.355 1.00 0.00 C ATOM 1123 O SER A 78 -4.415 -4.839 7.501 1.00 0.00 O ATOM 1124 CB SER A 78 -1.572 -5.144 6.978 1.00 0.00 C ATOM 1125 OG SER A 78 -0.207 -5.527 6.954 1.00 0.00 O ATOM 0 H SER A 78 -3.270 -7.260 6.526 1.00 0.00 H new ATOM 0 HA SER A 78 -1.773 -6.184 8.847 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.995 -5.230 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.654 -4.097 7.270 1.00 0.00 H new ATOM 0 HG SER A 78 0.349 -4.743 6.764 1.00 0.00 H new ATOM 1131 N ARG A 79 -3.904 -5.230 9.663 1.00 0.00 N ATOM 1132 CA ARG A 79 -5.104 -4.576 10.181 1.00 0.00 C ATOM 1133 C ARG A 79 -4.813 -3.122 10.571 1.00 0.00 C ATOM 1134 O ARG A 79 -5.333 -2.617 11.568 1.00 0.00 O ATOM 1135 CB ARG A 79 -5.663 -5.349 11.382 1.00 0.00 C ATOM 1136 CG ARG A 79 -4.648 -5.603 12.488 1.00 0.00 C ATOM 1137 CD ARG A 79 -4.269 -7.074 12.570 1.00 0.00 C ATOM 1138 NE ARG A 79 -3.593 -7.398 13.826 1.00 0.00 N ATOM 1139 CZ ARG A 79 -3.483 -8.635 14.320 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -4.001 -9.674 13.668 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -2.851 -8.833 15.472 1.00 0.00 N ATOM 0 H ARG A 79 -3.289 -5.612 10.381 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.853 -4.572 9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.505 -4.794 11.797 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.052 -6.306 11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.754 -5.006 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.061 -5.279 13.443 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.166 -7.685 12.473 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.619 -7.328 11.733 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.180 -6.632 14.358 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.487 -9.530 12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.912 -10.614 14.054 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.451 -8.042 15.977 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.766 -9.776 15.851 1.00 0.00 H new ATOM 1155 N ASN A 80 -3.979 -2.456 9.770 1.00 0.00 N ATOM 1156 CA ASN A 80 -3.616 -1.061 10.020 1.00 0.00 C ATOM 1157 C ASN A 80 -3.251 -0.345 8.719 1.00 0.00 C ATOM 1158 O ASN A 80 -2.944 -0.991 7.715 1.00 0.00 O ATOM 1159 CB ASN A 80 -2.443 -0.987 11.007 1.00 0.00 C ATOM 1160 CG ASN A 80 -2.445 0.295 11.822 1.00 0.00 C ATOM 1161 OD1 ASN A 80 -1.431 0.988 11.903 1.00 0.00 O ATOM 1162 ND2 ASN A 80 -3.585 0.614 12.433 1.00 0.00 N ATOM 0 H ASN A 80 -3.542 -2.861 8.942 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.481 -0.560 10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.486 -1.842 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.505 -1.062 10.457 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.642 1.463 12.996 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.401 0.010 12.338 1.00 0.00 H new ATOM 1169 N LEU A 81 -3.285 0.987 8.743 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.959 1.794 7.563 1.00 0.00 C ATOM 1171 C LEU A 81 -1.819 2.769 7.866 1.00 0.00 C ATOM 1172 O LEU A 81 -1.600 3.130 9.024 1.00 0.00 O ATOM 1173 CB LEU A 81 -4.194 2.569 7.092 1.00 0.00 C ATOM 1174 CG LEU A 81 -5.401 1.704 6.723 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -6.674 2.537 6.709 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -5.181 1.032 5.375 1.00 0.00 C ATOM 0 H LEU A 81 -3.535 1.533 9.567 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.636 1.119 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.491 3.263 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.918 3.169 6.225 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.513 0.927 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.521 1.903 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.838 2.968 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.577 3.338 5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.049 0.420 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.043 1.793 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.294 0.400 5.424 1.00 0.00 H new ATOM 1188 N PRO A 82 -1.072 3.211 6.831 1.00 0.00 N ATOM 1189 CA PRO A 82 -1.295 2.811 5.431 1.00 0.00 C ATOM 1190 C PRO A 82 -0.754 1.416 5.111 1.00 0.00 C ATOM 1191 O PRO A 82 -0.157 0.758 5.964 1.00 0.00 O ATOM 1192 CB PRO A 82 -0.514 3.867 4.651 1.00 0.00 C ATOM 1193 CG PRO A 82 0.610 4.236 5.555 1.00 0.00 C ATOM 1194 CD PRO A 82 0.060 4.153 6.955 1.00 0.00 C ATOM 0 HA PRO A 82 -2.357 2.758 5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.149 3.472 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.137 4.731 4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.453 3.558 5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.973 5.241 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.809 3.789 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.268 5.128 7.315 1.00 0.00 H new ATOM 1202 N THR A 83 -0.970 0.975 3.869 1.00 0.00 N ATOM 1203 CA THR A 83 -0.504 -0.339 3.426 1.00 0.00 C ATOM 1204 C THR A 83 -0.087 -0.306 1.955 1.00 0.00 C ATOM 1205 O THR A 83 -0.908 -0.042 1.074 1.00 0.00 O ATOM 1206 CB THR A 83 -1.596 -1.398 3.630 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.828 -0.972 3.073 1.00 0.00 O ATOM 1208 CG2 THR A 83 -1.842 -1.737 5.083 1.00 0.00 C ATOM 0 H THR A 83 -1.464 1.509 3.154 1.00 0.00 H new ATOM 0 HA THR A 83 0.365 -0.603 4.029 1.00 0.00 H new ATOM 0 HB THR A 83 -1.224 -2.289 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.243 -1.717 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.626 -2.491 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.925 -2.124 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.153 -0.840 5.618 1.00 0.00 H new ATOM 1216 N ILE A 84 1.193 -0.581 1.696 1.00 0.00 N ATOM 1217 CA ILE A 84 1.716 -0.587 0.332 1.00 0.00 C ATOM 1218 C ILE A 84 1.913 -2.017 -0.173 1.00 0.00 C ATOM 1219 O ILE A 84 2.726 -2.769 0.366 1.00 0.00 O ATOM 1220 CB ILE A 84 3.060 0.166 0.230 1.00 0.00 C ATOM 1221 CG1 ILE A 84 2.964 1.544 0.896 1.00 0.00 C ATOM 1222 CG2 ILE A 84 3.480 0.306 -1.229 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.312 2.172 1.176 1.00 0.00 C ATOM 0 H ILE A 84 1.884 -0.802 2.413 1.00 0.00 H new ATOM 0 HA ILE A 84 0.978 -0.077 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 84 3.818 -0.414 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.388 2.210 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.414 1.449 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.429 0.839 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.593 -0.684 -1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.719 0.863 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.170 3.144 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.883 1.526 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.856 2.299 0.240 1.00 0.00 H new ATOM 1235 N VAL A 85 1.164 -2.384 -1.215 1.00 0.00 N ATOM 1236 CA VAL A 85 1.256 -3.722 -1.796 1.00 0.00 C ATOM 1237 C VAL A 85 1.768 -3.671 -3.237 1.00 0.00 C ATOM 1238 O VAL A 85 1.223 -2.952 -4.074 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.105 -4.454 -1.766 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.450 -4.887 -0.349 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.209 -3.578 -2.347 1.00 0.00 C ATOM 0 H VAL A 85 0.488 -1.773 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 85 1.967 -4.277 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.023 -5.346 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.412 -5.400 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.321 -5.561 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.507 -4.010 0.296 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.156 -4.117 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.292 -2.662 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.969 -3.328 -3.381 1.00 0.00 H new ATOM 1251 N VAL A 86 2.817 -4.447 -3.514 1.00 0.00 N ATOM 1252 CA VAL A 86 3.408 -4.499 -4.849 1.00 0.00 C ATOM 1253 C VAL A 86 3.363 -5.922 -5.405 1.00 0.00 C ATOM 1254 O VAL A 86 3.769 -6.872 -4.731 1.00 0.00 O ATOM 1255 CB VAL A 86 4.868 -3.996 -4.842 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.400 -3.860 -6.264 1.00 0.00 C ATOM 1257 CG2 VAL A 86 4.976 -2.673 -4.095 1.00 0.00 C ATOM 0 H VAL A 86 3.274 -5.049 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 86 2.818 -3.842 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 86 5.480 -4.732 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.430 -3.504 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.365 -4.830 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.786 -3.148 -6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.012 -2.335 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.348 -1.927 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.645 -2.808 -3.065 1.00 0.00 H new ATOM 1267 N ASN A 87 2.856 -6.061 -6.633 1.00 0.00 N ATOM 1268 CA ASN A 87 2.741 -7.368 -7.288 1.00 0.00 C ATOM 1269 C ASN A 87 1.860 -8.314 -6.468 1.00 0.00 C ATOM 1270 O ASN A 87 2.107 -9.521 -6.417 1.00 0.00 O ATOM 1271 CB ASN A 87 4.126 -7.992 -7.504 1.00 0.00 C ATOM 1272 CG ASN A 87 4.937 -7.260 -8.557 1.00 0.00 C ATOM 1273 OD1 ASN A 87 4.577 -7.242 -9.734 1.00 0.00 O ATOM 1274 ND2 ASN A 87 6.042 -6.651 -8.139 1.00 0.00 N ATOM 0 H ASN A 87 2.517 -5.281 -7.196 1.00 0.00 H new ATOM 0 HA ASN A 87 2.273 -7.214 -8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.673 -7.988 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.009 -9.034 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.627 -6.144 -8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.305 -6.690 -7.154 1.00 0.00 H new ATOM 1281 N GLY A 88 0.833 -7.755 -5.826 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.068 -8.556 -5.014 1.00 0.00 C ATOM 1283 C GLY A 88 0.605 -9.124 -3.774 1.00 0.00 C ATOM 1284 O GLY A 88 0.251 -10.211 -3.315 1.00 0.00 O ATOM 0 H GLY A 88 0.610 -6.760 -5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.919 -7.945 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.461 -9.375 -5.616 1.00 0.00 H new ATOM 1288 N LYS A 89 1.571 -8.383 -3.229 1.00 0.00 N ATOM 1289 CA LYS A 89 2.291 -8.803 -2.039 1.00 0.00 C ATOM 1290 C LYS A 89 2.755 -7.584 -1.252 1.00 0.00 C ATOM 1291 O LYS A 89 3.301 -6.632 -1.815 1.00 0.00 O ATOM 1292 CB LYS A 89 3.497 -9.682 -2.394 1.00 0.00 C ATOM 1293 CG LYS A 89 3.284 -10.573 -3.610 1.00 0.00 C ATOM 1294 CD LYS A 89 4.318 -11.687 -3.678 1.00 0.00 C ATOM 1295 CE LYS A 89 3.952 -12.734 -4.723 1.00 0.00 C ATOM 1296 NZ LYS A 89 3.272 -13.916 -4.121 1.00 0.00 N ATOM 0 H LYS A 89 1.870 -7.482 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 89 1.609 -9.394 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.359 -9.040 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.740 -10.309 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.284 -11.006 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.338 -9.971 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.294 -11.263 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.405 -12.163 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.300 -12.285 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.855 -13.060 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.042 -14.602 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.903 -14.362 -3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.397 -13.610 -3.650 1.00 0.00 H new ATOM 1310 N PHE A 90 2.523 -7.625 0.049 1.00 0.00 N ATOM 1311 CA PHE A 90 2.900 -6.534 0.948 1.00 0.00 C ATOM 1312 C PHE A 90 4.408 -6.281 0.911 1.00 0.00 C ATOM 1313 O PHE A 90 5.188 -7.025 1.509 1.00 0.00 O ATOM 1314 CB PHE A 90 2.455 -6.847 2.381 1.00 0.00 C ATOM 1315 CG PHE A 90 2.240 -5.626 3.235 1.00 0.00 C ATOM 1316 CD1 PHE A 90 1.453 -4.574 2.788 1.00 0.00 C ATOM 1317 CD2 PHE A 90 2.823 -5.535 4.488 1.00 0.00 C ATOM 1318 CE1 PHE A 90 1.251 -3.458 3.577 1.00 0.00 C ATOM 1319 CE2 PHE A 90 2.625 -4.421 5.280 1.00 0.00 C ATOM 1320 CZ PHE A 90 1.839 -3.382 4.825 1.00 0.00 C ATOM 0 H PHE A 90 2.070 -8.410 0.516 1.00 0.00 H new ATOM 0 HA PHE A 90 2.395 -5.630 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.529 -7.421 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.205 -7.481 2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.993 -4.628 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.440 -6.344 4.850 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.635 -2.647 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.085 -4.363 6.255 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.684 -2.511 5.444 1.00 0.00 H new ATOM 1330 N TRP A 91 4.809 -5.227 0.199 1.00 0.00 N ATOM 1331 CA TRP A 91 6.222 -4.874 0.078 1.00 0.00 C ATOM 1332 C TRP A 91 6.569 -3.628 0.902 1.00 0.00 C ATOM 1333 O TRP A 91 7.729 -3.426 1.260 1.00 0.00 O ATOM 1334 CB TRP A 91 6.592 -4.652 -1.394 1.00 0.00 C ATOM 1335 CG TRP A 91 7.543 -5.681 -1.938 1.00 0.00 C ATOM 1336 CD1 TRP A 91 7.348 -6.486 -3.026 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.839 -6.015 -1.422 1.00 0.00 C ATOM 1338 NE1 TRP A 91 8.443 -7.298 -3.217 1.00 0.00 N ATOM 1339 CE2 TRP A 91 9.370 -7.028 -2.245 1.00 0.00 C ATOM 1340 CE3 TRP A 91 9.603 -5.557 -0.346 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 10.629 -7.585 -2.025 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 10.850 -6.112 -0.128 1.00 0.00 C ATOM 1343 CH2 TRP A 91 11.351 -7.116 -0.964 1.00 0.00 C ATOM 0 H TRP A 91 4.175 -4.604 -0.302 1.00 0.00 H new ATOM 0 HA TRP A 91 6.803 -5.707 0.473 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.682 -4.658 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 91 7.039 -3.664 -1.502 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.463 -6.485 -3.646 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.547 -7.988 -3.961 1.00 0.00 H new ATOM 0 HE3 TRP A 91 9.226 -4.782 0.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 11.019 -8.359 -2.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 11.448 -5.765 0.702 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.329 -7.529 -0.766 1.00 0.00 H new ATOM 1354 N GLY A 92 5.569 -2.792 1.202 1.00 0.00 N ATOM 1355 CA GLY A 92 5.825 -1.588 1.982 1.00 0.00 C ATOM 1356 C GLY A 92 4.895 -1.447 3.170 1.00 0.00 C ATOM 1357 O GLY A 92 3.703 -1.741 3.071 1.00 0.00 O ATOM 0 H GLY A 92 4.598 -2.926 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.857 -1.602 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.719 -0.715 1.338 1.00 0.00 H new ATOM 1361 N THR A 93 5.442 -0.996 4.299 1.00 0.00 N ATOM 1362 CA THR A 93 4.656 -0.819 5.521 1.00 0.00 C ATOM 1363 C THR A 93 4.772 0.612 6.055 1.00 0.00 C ATOM 1364 O THR A 93 5.496 1.436 5.495 1.00 0.00 O ATOM 1365 CB THR A 93 5.116 -1.811 6.596 1.00 0.00 C ATOM 1366 OG1 THR A 93 5.760 -2.936 6.018 1.00 0.00 O ATOM 1367 CG2 THR A 93 3.986 -2.322 7.461 1.00 0.00 C ATOM 0 H THR A 93 6.427 -0.746 4.393 1.00 0.00 H new ATOM 0 HA THR A 93 3.611 -1.009 5.275 1.00 0.00 H new ATOM 0 HB THR A 93 5.808 -1.247 7.221 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.085 -3.571 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.380 -3.019 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.510 -1.484 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.252 -2.832 6.837 1.00 0.00 H new ATOM 1375 N GLU A 94 4.060 0.894 7.149 1.00 0.00 N ATOM 1376 CA GLU A 94 4.090 2.221 7.767 1.00 0.00 C ATOM 1377 C GLU A 94 5.451 2.506 8.408 1.00 0.00 C ATOM 1378 O GLU A 94 5.940 3.637 8.363 1.00 0.00 O ATOM 1379 CB GLU A 94 2.972 2.365 8.811 1.00 0.00 C ATOM 1380 CG GLU A 94 2.909 1.237 9.834 1.00 0.00 C ATOM 1381 CD GLU A 94 1.704 0.334 9.632 1.00 0.00 C ATOM 1382 OE1 GLU A 94 0.566 0.852 9.601 1.00 0.00 O ATOM 1383 OE2 GLU A 94 1.897 -0.889 9.507 1.00 0.00 O ATOM 0 H GLU A 94 3.457 0.222 7.624 1.00 0.00 H new ATOM 0 HA GLU A 94 3.925 2.953 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.105 3.309 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.015 2.422 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.820 0.642 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.876 1.662 10.837 1.00 0.00 H new ATOM 1390 N SER A 95 6.059 1.477 9.002 1.00 0.00 N ATOM 1391 CA SER A 95 7.361 1.622 9.652 1.00 0.00 C ATOM 1392 C SER A 95 8.509 1.162 8.746 1.00 0.00 C ATOM 1393 O SER A 95 9.656 1.566 8.942 1.00 0.00 O ATOM 1394 CB SER A 95 7.392 0.831 10.961 1.00 0.00 C ATOM 1395 OG SER A 95 8.390 1.327 11.839 1.00 0.00 O ATOM 0 H SER A 95 5.670 0.535 9.046 1.00 0.00 H new ATOM 0 HA SER A 95 7.501 2.683 9.860 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.417 0.887 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.582 -0.221 10.748 1.00 0.00 H new ATOM 0 HG SER A 95 8.386 0.804 12.668 1.00 0.00 H new ATOM 1401 N GLN A 96 8.204 0.310 7.760 1.00 0.00 N ATOM 1402 CA GLN A 96 9.228 -0.195 6.846 1.00 0.00 C ATOM 1403 C GLN A 96 9.959 0.943 6.130 1.00 0.00 C ATOM 1404 O GLN A 96 11.144 0.824 5.816 1.00 0.00 O ATOM 1405 CB GLN A 96 8.608 -1.139 5.815 1.00 0.00 C ATOM 1406 CG GLN A 96 9.573 -2.205 5.318 1.00 0.00 C ATOM 1407 CD GLN A 96 9.107 -2.866 4.037 1.00 0.00 C ATOM 1408 OE1 GLN A 96 9.745 -2.738 2.993 1.00 0.00 O ATOM 1409 NE2 GLN A 96 7.990 -3.577 4.108 1.00 0.00 N ATOM 0 H GLN A 96 7.264 -0.040 7.578 1.00 0.00 H new ATOM 0 HA GLN A 96 9.956 -0.742 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.737 -1.624 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.253 -0.555 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.552 -1.755 5.154 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.697 -2.965 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.492 -3.657 4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 96 7.629 -4.044 3.276 1.00 0.00 H new ATOM 1418 N LEU A 97 9.249 2.043 5.876 1.00 0.00 N ATOM 1419 CA LEU A 97 9.838 3.198 5.198 1.00 0.00 C ATOM 1420 C LEU A 97 11.012 3.767 5.998 1.00 0.00 C ATOM 1421 O LEU A 97 12.054 4.099 5.432 1.00 0.00 O ATOM 1422 CB LEU A 97 8.780 4.290 4.978 1.00 0.00 C ATOM 1423 CG LEU A 97 7.444 3.806 4.402 1.00 0.00 C ATOM 1424 CD1 LEU A 97 6.403 4.916 4.463 1.00 0.00 C ATOM 1425 CD2 LEU A 97 7.627 3.315 2.972 1.00 0.00 C ATOM 0 H LEU A 97 8.268 2.158 6.129 1.00 0.00 H new ATOM 0 HA LEU A 97 10.210 2.861 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.588 4.783 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.194 5.043 4.307 1.00 0.00 H new ATOM 0 HG LEU A 97 7.088 2.972 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.461 4.555 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.253 5.217 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.749 5.772 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.669 2.975 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.005 4.129 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.338 2.489 2.959 1.00 0.00 H new ATOM 1437 N HIS A 98 10.833 3.880 7.312 1.00 0.00 N ATOM 1438 CA HIS A 98 11.874 4.413 8.190 1.00 0.00 C ATOM 1439 C HIS A 98 13.104 3.504 8.217 1.00 0.00 C ATOM 1440 O HIS A 98 14.224 3.963 7.987 1.00 0.00 O ATOM 1441 CB HIS A 98 11.332 4.598 9.610 1.00 0.00 C ATOM 1442 CG HIS A 98 11.868 5.811 10.310 1.00 0.00 C ATOM 1443 ND1 HIS A 98 13.204 6.156 10.310 1.00 0.00 N ATOM 1444 CD2 HIS A 98 11.236 6.763 11.037 1.00 0.00 C ATOM 1445 CE1 HIS A 98 13.370 7.265 11.010 1.00 0.00 C ATOM 1446 NE2 HIS A 98 12.191 7.653 11.460 1.00 0.00 N ATOM 0 H HIS A 98 9.976 3.609 7.794 1.00 0.00 H new ATOM 0 HA HIS A 98 12.177 5.381 7.792 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.245 4.665 9.568 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.574 3.714 10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.177 6.812 11.245 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.310 7.768 11.184 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.018 8.481 12.030 1.00 0.00 H new ATOM 1455 N ARG A 99 12.890 2.220 8.513 1.00 0.00 N ATOM 1456 CA ARG A 99 13.983 1.253 8.585 1.00 0.00 C ATOM 1457 C ARG A 99 14.729 1.144 7.255 1.00 0.00 C ATOM 1458 O ARG A 99 15.958 1.070 7.232 1.00 0.00 O ATOM 1459 CB ARG A 99 13.452 -0.120 9.008 1.00 0.00 C ATOM 1460 CG ARG A 99 12.315 -0.641 8.147 1.00 0.00 C ATOM 1461 CD ARG A 99 11.786 -1.971 8.658 1.00 0.00 C ATOM 1462 NE ARG A 99 11.706 -2.975 7.597 1.00 0.00 N ATOM 1463 CZ ARG A 99 11.068 -4.140 7.716 1.00 0.00 C ATOM 1464 NH1 ARG A 99 10.453 -4.462 8.851 1.00 0.00 N ATOM 1465 NH2 ARG A 99 11.043 -4.988 6.694 1.00 0.00 N ATOM 0 H ARG A 99 11.969 1.828 8.706 1.00 0.00 H new ATOM 0 HA ARG A 99 14.690 1.609 9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.272 -0.838 8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.113 -0.063 10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.507 0.090 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.660 -0.757 7.120 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.434 -2.337 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.798 -1.824 9.093 1.00 0.00 H new ATOM 0 HE ARG A 99 12.167 -2.771 6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.467 -3.815 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.968 -5.355 8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.511 -4.748 5.820 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.556 -5.880 6.783 1.00 0.00 H new ATOM 1479 N PHE A 100 13.982 1.135 6.151 1.00 0.00 N ATOM 1480 CA PHE A 100 14.580 1.037 4.819 1.00 0.00 C ATOM 1481 C PHE A 100 15.430 2.268 4.512 1.00 0.00 C ATOM 1482 O PHE A 100 16.531 2.152 3.973 1.00 0.00 O ATOM 1483 CB PHE A 100 13.496 0.875 3.748 1.00 0.00 C ATOM 1484 CG PHE A 100 13.244 -0.553 3.343 1.00 0.00 C ATOM 1485 CD1 PHE A 100 13.217 -1.567 4.288 1.00 0.00 C ATOM 1486 CD2 PHE A 100 13.030 -0.878 2.014 1.00 0.00 C ATOM 1487 CE1 PHE A 100 12.984 -2.877 3.913 1.00 0.00 C ATOM 1488 CE2 PHE A 100 12.796 -2.185 1.633 1.00 0.00 C ATOM 1489 CZ PHE A 100 12.773 -3.186 2.584 1.00 0.00 C ATOM 0 H PHE A 100 12.964 1.194 6.152 1.00 0.00 H new ATOM 0 HA PHE A 100 15.222 0.156 4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 100 12.566 1.306 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 100 13.783 1.447 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 100 13.380 -1.331 5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 100 13.046 -0.099 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.967 -3.658 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 100 12.631 -2.424 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.590 -4.209 2.289 1.00 0.00 H new ATOM 1499 N GLU A 101 14.912 3.447 4.863 1.00 0.00 N ATOM 1500 CA GLU A 101 15.624 4.699 4.632 1.00 0.00 C ATOM 1501 C GLU A 101 16.929 4.727 5.425 1.00 0.00 C ATOM 1502 O GLU A 101 17.963 5.175 4.924 1.00 0.00 O ATOM 1503 CB GLU A 101 14.749 5.892 5.027 1.00 0.00 C ATOM 1504 CG GLU A 101 14.851 7.069 4.068 1.00 0.00 C ATOM 1505 CD GLU A 101 13.638 7.983 4.118 1.00 0.00 C ATOM 1506 OE1 GLU A 101 12.501 7.465 4.129 1.00 0.00 O ATOM 1507 OE2 GLU A 101 13.827 9.216 4.144 1.00 0.00 O ATOM 0 H GLU A 101 14.001 3.558 5.308 1.00 0.00 H new ATOM 0 HA GLU A 101 15.857 4.768 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.710 5.567 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 101 15.031 6.223 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 101 15.744 7.647 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.974 6.693 3.052 1.00 0.00 H new ATOM 1514 N ALA A 102 16.870 4.237 6.661 1.00 0.00 N ATOM 1515 CA ALA A 102 18.042 4.190 7.532 1.00 0.00 C ATOM 1516 C ALA A 102 19.091 3.224 6.986 1.00 0.00 C ATOM 1517 O ALA A 102 20.289 3.507 7.033 1.00 0.00 O ATOM 1518 CB ALA A 102 17.639 3.794 8.946 1.00 0.00 C ATOM 0 H ALA A 102 16.019 3.865 7.083 1.00 0.00 H new ATOM 0 HA ALA A 102 18.482 5.187 7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.524 3.764 9.582 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.933 4.525 9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.171 2.810 8.929 1.00 0.00 H new ATOM 1524 N LYS A 103 18.634 2.085 6.465 1.00 0.00 N ATOM 1525 CA LYS A 103 19.531 1.078 5.906 1.00 0.00 C ATOM 1526 C LYS A 103 20.091 1.522 4.555 1.00 0.00 C ATOM 1527 O LYS A 103 21.181 1.104 4.162 1.00 0.00 O ATOM 1528 CB LYS A 103 18.794 -0.252 5.745 1.00 0.00 C ATOM 1529 CG LYS A 103 18.675 -1.044 7.037 1.00 0.00 C ATOM 1530 CD LYS A 103 18.675 -2.542 6.777 1.00 0.00 C ATOM 1531 CE LYS A 103 17.272 -3.123 6.853 1.00 0.00 C ATOM 1532 NZ LYS A 103 17.288 -4.581 7.155 1.00 0.00 N ATOM 0 H LYS A 103 17.645 1.838 6.419 1.00 0.00 H new ATOM 0 HA LYS A 103 20.364 0.952 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 103 17.795 -0.059 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.315 -0.858 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.503 -0.789 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.757 -0.764 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.099 -2.741 5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.315 -3.039 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 103 16.704 -2.600 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 103 16.758 -2.954 5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 16.312 -4.937 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 17.808 -5.085 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 17.755 -4.741 8.070 1.00 0.00 H new ATOM 1546 N GLY A 104 19.336 2.360 3.843 1.00 0.00 N ATOM 1547 CA GLY A 104 19.771 2.834 2.540 1.00 0.00 C ATOM 1548 C GLY A 104 19.325 1.923 1.408 1.00 0.00 C ATOM 1549 O GLY A 104 19.944 1.904 0.344 1.00 0.00 O ATOM 0 H GLY A 104 18.431 2.718 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.377 3.836 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 104 20.858 2.913 2.531 1.00 0.00 H new ATOM 1553 N THR A 105 18.249 1.165 1.637 1.00 0.00 N ATOM 1554 CA THR A 105 17.723 0.246 0.627 1.00 0.00 C ATOM 1555 C THR A 105 16.310 0.636 0.182 1.00 0.00 C ATOM 1556 O THR A 105 15.642 -0.133 -0.512 1.00 0.00 O ATOM 1557 CB THR A 105 17.730 -1.188 1.164 1.00 0.00 C ATOM 1558 OG1 THR A 105 17.010 -1.275 2.383 1.00 0.00 O ATOM 1559 CG2 THR A 105 19.123 -1.724 1.414 1.00 0.00 C ATOM 0 H THR A 105 17.726 1.170 2.513 1.00 0.00 H new ATOM 0 HA THR A 105 18.373 0.309 -0.246 1.00 0.00 H new ATOM 0 HB THR A 105 17.259 -1.789 0.386 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.026 -2.200 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 105 19.058 -2.744 1.793 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.687 -1.719 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.628 -1.096 2.147 1.00 0.00 H new ATOM 1567 N LEU A 106 15.856 1.833 0.568 1.00 0.00 N ATOM 1568 CA LEU A 106 14.526 2.303 0.187 1.00 0.00 C ATOM 1569 C LEU A 106 14.457 2.549 -1.320 1.00 0.00 C ATOM 1570 O LEU A 106 13.567 2.037 -2.000 1.00 0.00 O ATOM 1571 CB LEU A 106 14.170 3.587 0.950 1.00 0.00 C ATOM 1572 CG LEU A 106 12.668 3.829 1.141 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.245 3.491 2.562 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.312 5.271 0.810 1.00 0.00 C ATOM 0 H LEU A 106 16.388 2.488 1.140 1.00 0.00 H new ATOM 0 HA LEU A 106 13.802 1.531 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.645 3.553 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.596 4.438 0.418 1.00 0.00 H new ATOM 0 HG LEU A 106 12.128 3.174 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.176 3.670 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.461 2.442 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.794 4.118 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.242 5.423 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.864 5.942 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.574 5.482 -0.227 1.00 0.00 H new ATOM 1586 N GLU A 107 15.410 3.328 -1.834 1.00 0.00 N ATOM 1587 CA GLU A 107 15.467 3.636 -3.263 1.00 0.00 C ATOM 1588 C GLU A 107 15.808 2.390 -4.080 1.00 0.00 C ATOM 1589 O GLU A 107 15.151 2.100 -5.081 1.00 0.00 O ATOM 1590 CB GLU A 107 16.500 4.734 -3.534 1.00 0.00 C ATOM 1591 CG GLU A 107 16.191 5.567 -4.769 1.00 0.00 C ATOM 1592 CD GLU A 107 16.985 6.859 -4.821 1.00 0.00 C ATOM 1593 OE1 GLU A 107 18.231 6.797 -4.739 1.00 0.00 O ATOM 1594 OE2 GLU A 107 16.360 7.934 -4.943 1.00 0.00 O ATOM 0 H GLU A 107 16.153 3.757 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 107 14.482 3.990 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 107 16.555 5.392 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.483 4.277 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.405 4.979 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.126 5.799 -4.788 1.00 0.00 H new ATOM 1601 N GLU A 108 16.839 1.659 -3.645 1.00 0.00 N ATOM 1602 CA GLU A 108 17.269 0.442 -4.339 1.00 0.00 C ATOM 1603 C GLU A 108 16.098 -0.515 -4.540 1.00 0.00 C ATOM 1604 O GLU A 108 15.833 -0.949 -5.663 1.00 0.00 O ATOM 1605 CB GLU A 108 18.389 -0.258 -3.560 1.00 0.00 C ATOM 1606 CG GLU A 108 19.314 -1.084 -4.440 1.00 0.00 C ATOM 1607 CD GLU A 108 18.857 -2.526 -4.576 1.00 0.00 C ATOM 1608 OE1 GLU A 108 19.127 -3.322 -3.653 1.00 0.00 O ATOM 1609 OE2 GLU A 108 18.232 -2.857 -5.604 1.00 0.00 O ATOM 0 H GLU A 108 17.390 1.888 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 108 17.650 0.734 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.977 0.492 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 108 17.945 -0.906 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.370 -0.630 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.321 -1.064 -4.023 1.00 0.00 H new ATOM 1616 N GLU A 109 15.396 -0.835 -3.452 1.00 0.00 N ATOM 1617 CA GLU A 109 14.247 -1.737 -3.521 1.00 0.00 C ATOM 1618 C GLU A 109 13.209 -1.221 -4.514 1.00 0.00 C ATOM 1619 O GLU A 109 12.639 -1.996 -5.284 1.00 0.00 O ATOM 1620 CB GLU A 109 13.608 -1.905 -2.138 1.00 0.00 C ATOM 1621 CG GLU A 109 12.919 -3.248 -1.948 1.00 0.00 C ATOM 1622 CD GLU A 109 13.870 -4.330 -1.472 1.00 0.00 C ATOM 1623 OE1 GLU A 109 14.660 -4.835 -2.299 1.00 0.00 O ATOM 1624 OE2 GLU A 109 13.823 -4.676 -0.272 1.00 0.00 O ATOM 0 H GLU A 109 15.602 -0.484 -2.517 1.00 0.00 H new ATOM 0 HA GLU A 109 14.604 -2.708 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.377 -1.789 -1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.881 -1.107 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.110 -3.138 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.466 -3.556 -2.890 1.00 0.00 H new ATOM 1631 N LEU A 110 12.970 0.094 -4.497 1.00 0.00 N ATOM 1632 CA LEU A 110 12.002 0.711 -5.401 1.00 0.00 C ATOM 1633 C LEU A 110 12.427 0.549 -6.861 1.00 0.00 C ATOM 1634 O LEU A 110 11.589 0.320 -7.734 1.00 0.00 O ATOM 1635 CB LEU A 110 11.825 2.195 -5.062 1.00 0.00 C ATOM 1636 CG LEU A 110 10.805 2.488 -3.957 1.00 0.00 C ATOM 1637 CD1 LEU A 110 11.184 3.748 -3.192 1.00 0.00 C ATOM 1638 CD2 LEU A 110 9.407 2.618 -4.543 1.00 0.00 C ATOM 0 H LEU A 110 13.434 0.748 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 110 11.048 0.202 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.791 2.602 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.523 2.725 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 110 10.810 1.652 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.446 3.936 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.166 3.616 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.212 4.595 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.695 2.826 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 110 9.390 3.434 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.133 1.687 -5.040 1.00 0.00 H new ATOM 1650 N THR A 111 13.729 0.660 -7.122 1.00 0.00 N ATOM 1651 CA THR A 111 14.251 0.511 -8.481 1.00 0.00 C ATOM 1652 C THR A 111 14.230 -0.959 -8.907 1.00 0.00 C ATOM 1653 O THR A 111 13.982 -1.270 -10.073 1.00 0.00 O ATOM 1654 CB THR A 111 15.679 1.062 -8.587 1.00 0.00 C ATOM 1655 OG1 THR A 111 15.877 2.158 -7.708 1.00 0.00 O ATOM 1656 CG2 THR A 111 16.042 1.523 -9.983 1.00 0.00 C ATOM 0 H THR A 111 14.439 0.852 -6.415 1.00 0.00 H new ATOM 0 HA THR A 111 13.608 1.084 -9.148 1.00 0.00 H new ATOM 0 HB THR A 111 16.322 0.225 -8.315 1.00 0.00 H new ATOM 0 HG1 THR A 111 16.796 2.487 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.064 1.901 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 111 15.962 0.685 -10.675 1.00 0.00 H new ATOM 0 HG23 THR A 111 15.361 2.316 -10.293 1.00 0.00 H new ATOM 1664 N LYS A 112 14.493 -1.859 -7.957 1.00 0.00 N ATOM 1665 CA LYS A 112 14.505 -3.296 -8.235 1.00 0.00 C ATOM 1666 C LYS A 112 13.106 -3.804 -8.590 1.00 0.00 C ATOM 1667 O LYS A 112 12.943 -4.559 -9.550 1.00 0.00 O ATOM 1668 CB LYS A 112 15.055 -4.067 -7.030 1.00 0.00 C ATOM 1669 CG LYS A 112 15.957 -5.231 -7.409 1.00 0.00 C ATOM 1670 CD LYS A 112 16.270 -6.106 -6.206 1.00 0.00 C ATOM 1671 CE LYS A 112 17.312 -7.164 -6.536 1.00 0.00 C ATOM 1672 NZ LYS A 112 18.666 -6.785 -6.044 1.00 0.00 N ATOM 0 H LYS A 112 14.701 -1.617 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 112 15.155 -3.465 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.612 -3.380 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.220 -4.443 -6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.475 -5.831 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.885 -4.850 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 112 16.630 -5.483 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.357 -6.590 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.017 -8.114 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.347 -7.314 -7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 19.346 -7.532 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.959 -5.891 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 18.639 -6.666 -5.011 1.00 0.00 H new ATOM 1686 N ILE A 113 12.102 -3.389 -7.814 1.00 0.00 N ATOM 1687 CA ILE A 113 10.719 -3.810 -8.055 1.00 0.00 C ATOM 1688 C ILE A 113 10.190 -3.271 -9.386 1.00 0.00 C ATOM 1689 O ILE A 113 9.303 -3.872 -9.995 1.00 0.00 O ATOM 1690 CB ILE A 113 9.766 -3.359 -6.921 1.00 0.00 C ATOM 1691 CG1 ILE A 113 9.785 -1.833 -6.770 1.00 0.00 C ATOM 1692 CG2 ILE A 113 10.138 -4.036 -5.608 1.00 0.00 C ATOM 1693 CD1 ILE A 113 8.865 -1.318 -5.685 1.00 0.00 C ATOM 0 H ILE A 113 12.219 -2.764 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 113 10.739 -4.899 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 113 8.753 -3.660 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.804 -1.511 -6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.502 -1.379 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.457 -3.707 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.064 -5.117 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.160 -3.769 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.932 -0.231 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.839 -1.609 -5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.161 -1.742 -4.726 1.00 0.00 H new ATOM 1705 N GLY A 114 10.734 -2.136 -9.828 1.00 0.00 N ATOM 1706 CA GLY A 114 10.297 -1.538 -11.078 1.00 0.00 C ATOM 1707 C GLY A 114 9.431 -0.304 -10.872 1.00 0.00 C ATOM 1708 O GLY A 114 8.662 0.070 -11.759 1.00 0.00 O ATOM 0 H GLY A 114 11.469 -1.622 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.171 -1.268 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.738 -2.277 -11.653 1.00 0.00 H new ATOM 1712 N LEU A 115 9.556 0.330 -9.705 1.00 0.00 N ATOM 1713 CA LEU A 115 8.781 1.527 -9.394 1.00 0.00 C ATOM 1714 C LEU A 115 9.586 2.788 -9.704 1.00 0.00 C ATOM 1715 O LEU A 115 9.072 3.729 -10.310 1.00 0.00 O ATOM 1716 CB LEU A 115 8.359 1.522 -7.920 1.00 0.00 C ATOM 1717 CG LEU A 115 6.945 2.042 -7.644 1.00 0.00 C ATOM 1718 CD1 LEU A 115 6.482 1.615 -6.258 1.00 0.00 C ATOM 1719 CD2 LEU A 115 6.890 3.558 -7.786 1.00 0.00 C ATOM 0 H LEU A 115 10.187 0.033 -8.961 1.00 0.00 H new ATOM 0 HA LEU A 115 7.887 1.525 -10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.434 0.503 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.068 2.126 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 115 6.270 1.608 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.476 1.993 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.478 0.527 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 115 7.161 2.019 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.877 3.906 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.578 4.015 -7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.176 3.839 -8.799 1.00 0.00 H new ATOM 1731 N LEU A 116 10.852 2.797 -9.286 1.00 0.00 N ATOM 1732 CA LEU A 116 11.732 3.938 -9.520 1.00 0.00 C ATOM 1733 C LEU A 116 12.463 3.800 -10.855 1.00 0.00 C ATOM 1734 O LEU A 116 12.930 2.714 -11.206 1.00 0.00 O ATOM 1735 CB LEU A 116 12.746 4.070 -8.381 1.00 0.00 C ATOM 1736 CG LEU A 116 12.784 5.441 -7.702 1.00 0.00 C ATOM 1737 CD1 LEU A 116 11.923 5.447 -6.448 1.00 0.00 C ATOM 1738 CD2 LEU A 116 14.215 5.832 -7.369 1.00 0.00 C ATOM 0 H LEU A 116 11.290 2.025 -8.783 1.00 0.00 H new ATOM 0 HA LEU A 116 11.117 4.837 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.523 3.315 -7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 116 13.739 3.847 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 116 12.378 6.176 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.965 6.432 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.892 5.215 -6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.294 4.698 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.222 6.810 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.647 5.092 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 116 14.803 5.875 -8.286 1.00 0.00 H new ATOM 1750 N PRO A 117 12.570 4.905 -11.621 1.00 0.00 N ATOM 1751 CA PRO A 117 13.248 4.905 -12.924 1.00 0.00 C ATOM 1752 C PRO A 117 14.771 4.820 -12.795 1.00 0.00 C ATOM 1753 O PRO A 117 15.295 5.107 -11.696 1.00 0.00 O ATOM 1754 CB PRO A 117 12.835 6.244 -13.536 1.00 0.00 C ATOM 1755 CG PRO A 117 12.572 7.128 -12.366 1.00 0.00 C ATOM 1756 CD PRO A 117 12.039 6.239 -11.275 1.00 0.00 C ATOM 1757 OXT PRO A 117 15.427 4.465 -13.796 1.00 0.00 O ATOM 0 HA PRO A 117 12.970 4.040 -13.526 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.623 6.650 -14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 117 11.947 6.138 -14.160 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.484 7.631 -12.046 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.852 7.905 -12.620 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.380 6.563 -10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 117 10.949 6.243 -11.252 1.00 0.00 H new TER 1765 PRO A 117