USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 662 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 58 THR OG1 : rot 180:sc= -0.182 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.521 USER MOD Set 2.1: A 12 THR OG1 : rot 33:sc= 0.269 USER MOD Set 2.2: A 80 HIS : no HD1:sc= 0 X(o=0.27,f=0.25) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -112:sc= 1.43 (180deg=0.00941) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 1.04 (180deg=0.226) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 11 THR OG1 : rot -6:sc= -1.98 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -143:sc= -0.0163 (180deg=-1.91!) USER MOD Single : A 26 THR OG1 : rot 167:sc= -0.172 USER MOD Single : A 31 MET CE :methyl -139:sc= -1.41 (180deg=-3.52!) USER MOD Single : A 33 LYS NZ :NH3+ -139:sc= 0.724 (180deg=0.119) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.94) USER MOD Single : A 37 GLN : amide:sc= -2.11 X(o=-2.1,f=-2.5) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 44 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.14) USER MOD Single : A 49 TYR OH : rot -87:sc= 0.295 USER MOD Single : A 50 ASN : amide:sc= -0.0933 X(o=-0.093,f=-0.53) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.794 K(o=-0.79,f=-0.0045) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0525) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -147:sc= 0.0972 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.545 1.349 -0.070 1.00 0.00 N ATOM 2 CA GLY A 1 -0.795 0.287 0.642 1.00 0.00 C ATOM 3 C GLY A 1 -0.236 -0.767 -0.306 1.00 0.00 C ATOM 4 O GLY A 1 -0.610 -0.779 -1.481 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.078 2.266 0.083 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.566 1.137 -1.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.518 1.391 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.024 0.738 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.452 -0.193 1.368 1.00 0.00 H new ATOM 7 N PRO A 2 0.688 -1.659 0.170 1.00 0.00 N ATOM 8 CA PRO A 2 1.229 -2.783 -0.641 1.00 0.00 C ATOM 9 C PRO A 2 0.111 -3.711 -1.168 1.00 0.00 C ATOM 10 O PRO A 2 -0.507 -4.464 -0.402 1.00 0.00 O ATOM 11 CB PRO A 2 2.174 -3.517 0.345 1.00 0.00 C ATOM 12 CG PRO A 2 2.547 -2.468 1.349 1.00 0.00 C ATOM 13 CD PRO A 2 1.305 -1.623 1.520 1.00 0.00 C ATOM 0 HA PRO A 2 1.741 -2.442 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.676 -4.362 0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.053 -3.911 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.850 -2.918 2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.386 -1.868 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.639 -2.033 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.548 -0.605 1.826 1.00 0.00 H new ATOM 21 N GLY A 3 -0.173 -3.595 -2.472 1.00 0.00 N ATOM 22 CA GLY A 3 -1.263 -4.325 -3.126 1.00 0.00 C ATOM 23 C GLY A 3 -2.562 -3.533 -3.158 1.00 0.00 C ATOM 24 O GLY A 3 -3.287 -3.547 -4.167 1.00 0.00 O ATOM 0 H GLY A 3 0.350 -2.989 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.968 -4.574 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.429 -5.267 -2.604 1.00 0.00 H new ATOM 28 N SER A 4 -2.872 -2.862 -2.033 1.00 0.00 N ATOM 29 CA SER A 4 -4.036 -1.989 -1.915 1.00 0.00 C ATOM 30 C SER A 4 -3.826 -0.718 -2.762 1.00 0.00 C ATOM 31 O SER A 4 -3.152 0.228 -2.342 1.00 0.00 O ATOM 32 CB SER A 4 -4.266 -1.632 -0.435 1.00 0.00 C ATOM 33 OG SER A 4 -4.372 -2.795 0.363 1.00 0.00 O ATOM 0 H SER A 4 -2.314 -2.916 -1.181 1.00 0.00 H new ATOM 0 HA SER A 4 -4.920 -2.506 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.443 -1.015 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.175 -1.038 -0.339 1.00 0.00 H new ATOM 0 HG SER A 4 -4.516 -2.538 1.298 1.00 0.00 H new ATOM 39 N LEU A 5 -4.416 -0.742 -3.958 1.00 0.00 N ATOM 40 CA LEU A 5 -4.218 0.272 -5.006 1.00 0.00 C ATOM 41 C LEU A 5 -4.839 1.630 -4.632 1.00 0.00 C ATOM 42 O LEU A 5 -5.963 1.694 -4.119 1.00 0.00 O ATOM 43 CB LEU A 5 -4.750 -0.275 -6.367 1.00 0.00 C ATOM 44 CG LEU A 5 -6.117 -1.057 -6.358 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.353 -0.128 -6.293 1.00 0.00 C ATOM 46 CD2 LEU A 5 -6.198 -2.022 -7.554 1.00 0.00 C ATOM 0 H LEU A 5 -5.060 -1.482 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.150 0.463 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.850 0.568 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.989 -0.935 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.138 -1.641 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.261 -0.731 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.311 0.470 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.358 0.532 -7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.150 -2.553 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.121 -1.457 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.380 -2.741 -7.498 1.00 0.00 H new ATOM 58 N GLU A 6 -4.081 2.709 -4.894 1.00 0.00 N ATOM 59 CA GLU A 6 -4.459 4.071 -4.497 1.00 0.00 C ATOM 60 C GLU A 6 -5.105 4.829 -5.666 1.00 0.00 C ATOM 61 O GLU A 6 -4.423 5.299 -6.586 1.00 0.00 O ATOM 62 CB GLU A 6 -3.234 4.842 -3.934 1.00 0.00 C ATOM 63 CG GLU A 6 -3.596 6.229 -3.350 1.00 0.00 C ATOM 64 CD GLU A 6 -2.405 6.981 -2.745 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.231 6.948 -1.505 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.634 7.605 -3.504 1.00 0.00 O ATOM 0 H GLU A 6 -3.190 2.658 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.202 3.997 -3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.762 4.241 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.499 4.971 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.036 6.840 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.359 6.101 -2.583 1.00 0.00 H new ATOM 73 N ILE A 7 -6.434 4.917 -5.619 1.00 0.00 N ATOM 74 CA ILE A 7 -7.250 5.621 -6.618 1.00 0.00 C ATOM 75 C ILE A 7 -7.773 6.951 -6.040 1.00 0.00 C ATOM 76 O ILE A 7 -7.451 7.317 -4.903 1.00 0.00 O ATOM 77 CB ILE A 7 -8.462 4.727 -7.063 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.436 4.469 -5.861 1.00 0.00 C ATOM 79 CG2 ILE A 7 -7.956 3.394 -7.663 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.712 3.745 -6.223 1.00 0.00 C ATOM 0 H ILE A 7 -6.987 4.495 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.625 5.830 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.019 5.259 -7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.909 3.890 -5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.694 5.427 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.808 2.785 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.329 3.600 -8.531 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.374 2.856 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.321 3.612 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.267 4.330 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.470 2.770 -6.645 1.00 0.00 H new ATOM 92 N LYS A 8 -8.593 7.669 -6.835 1.00 0.00 N ATOM 93 CA LYS A 8 -9.214 8.947 -6.432 1.00 0.00 C ATOM 94 C LYS A 8 -10.719 8.924 -6.771 1.00 0.00 C ATOM 95 O LYS A 8 -11.116 8.297 -7.750 1.00 0.00 O ATOM 96 CB LYS A 8 -8.515 10.131 -7.156 1.00 0.00 C ATOM 97 CG LYS A 8 -6.956 10.205 -6.989 1.00 0.00 C ATOM 98 CD LYS A 8 -6.187 9.878 -8.292 1.00 0.00 C ATOM 99 CE LYS A 8 -6.392 10.964 -9.361 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.837 10.581 -10.684 1.00 0.00 N ATOM 0 H LYS A 8 -8.844 7.377 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.096 9.080 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.746 10.070 -8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.946 11.063 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.680 11.205 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.647 9.510 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.124 9.780 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.522 8.917 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.458 11.169 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.921 11.889 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.021 11.186 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.534 9.586 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.567 10.702 -11.415 1.00 0.00 H new ATOM 114 N ILE A 9 -11.564 9.576 -5.936 1.00 0.00 N ATOM 115 CA ILE A 9 -13.019 9.689 -6.181 1.00 0.00 C ATOM 116 C ILE A 9 -13.420 11.182 -6.189 1.00 0.00 C ATOM 117 O ILE A 9 -13.533 11.817 -5.132 1.00 0.00 O ATOM 118 CB ILE A 9 -13.916 8.914 -5.117 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.636 7.361 -5.078 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.430 9.169 -5.390 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.362 6.931 -4.356 1.00 0.00 C ATOM 0 H ILE A 9 -11.256 10.035 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.206 9.219 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.641 9.312 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.484 6.870 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.591 6.994 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.028 8.632 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.638 10.237 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.684 8.817 -6.390 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.272 5.845 -4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.498 7.383 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.405 7.257 -3.317 1.00 0.00 H new ATOM 133 N ARG A 10 -13.574 11.740 -7.389 1.00 0.00 N ATOM 134 CA ARG A 10 -14.156 13.075 -7.606 1.00 0.00 C ATOM 135 C ARG A 10 -15.675 13.023 -7.326 1.00 0.00 C ATOM 136 O ARG A 10 -16.384 12.219 -7.924 1.00 0.00 O ATOM 137 CB ARG A 10 -13.883 13.514 -9.071 1.00 0.00 C ATOM 138 CG ARG A 10 -14.405 14.917 -9.454 1.00 0.00 C ATOM 139 CD ARG A 10 -14.214 15.219 -10.956 1.00 0.00 C ATOM 140 NE ARG A 10 -14.621 16.591 -11.313 1.00 0.00 N ATOM 141 CZ ARG A 10 -14.819 17.031 -12.566 1.00 0.00 C ATOM 142 NH1 ARG A 10 -14.792 16.195 -13.597 1.00 0.00 N ATOM 143 NH2 ARG A 10 -15.095 18.304 -12.775 1.00 0.00 N ATOM 0 H ARG A 10 -13.296 11.276 -8.253 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.702 13.799 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.807 13.486 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.334 12.782 -9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.463 14.991 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.883 15.671 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.167 15.073 -11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.794 14.507 -11.543 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.763 17.255 -10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.619 15.202 -13.444 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.944 16.546 -14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.157 18.948 -11.987 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.246 18.644 -13.725 1.00 0.00 H new ATOM 157 N THR A 11 -16.157 13.860 -6.405 1.00 0.00 N ATOM 158 CA THR A 11 -17.577 13.898 -6.005 1.00 0.00 C ATOM 159 C THR A 11 -18.386 14.919 -6.834 1.00 0.00 C ATOM 160 O THR A 11 -17.820 15.629 -7.673 1.00 0.00 O ATOM 161 CB THR A 11 -17.657 14.266 -4.501 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.144 15.587 -4.322 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.848 13.299 -3.628 1.00 0.00 C ATOM 0 H THR A 11 -15.576 14.536 -5.910 1.00 0.00 H new ATOM 0 HA THR A 11 -18.012 12.915 -6.187 1.00 0.00 H new ATOM 0 HB THR A 11 -18.701 14.203 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.774 15.912 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.933 13.595 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.235 12.287 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.801 13.326 -3.929 1.00 0.00 H new ATOM 171 N THR A 12 -19.713 14.998 -6.573 1.00 0.00 N ATOM 172 CA THR A 12 -20.626 15.966 -7.228 1.00 0.00 C ATOM 173 C THR A 12 -20.271 17.427 -6.866 1.00 0.00 C ATOM 174 O THR A 12 -20.473 18.332 -7.677 1.00 0.00 O ATOM 175 CB THR A 12 -22.129 15.672 -6.862 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.236 15.190 -5.509 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.774 14.659 -7.811 1.00 0.00 C ATOM 0 H THR A 12 -20.182 14.391 -5.901 1.00 0.00 H new ATOM 0 HA THR A 12 -20.497 15.841 -8.303 1.00 0.00 H new ATOM 0 HB THR A 12 -22.664 16.616 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.544 15.609 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.810 14.491 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.746 15.046 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.227 13.718 -7.765 1.00 0.00 H new ATOM 185 N GLU A 13 -19.727 17.639 -5.654 1.00 0.00 N ATOM 186 CA GLU A 13 -19.282 18.972 -5.188 1.00 0.00 C ATOM 187 C GLU A 13 -17.903 19.331 -5.786 1.00 0.00 C ATOM 188 O GLU A 13 -17.406 20.436 -5.573 1.00 0.00 O ATOM 189 CB GLU A 13 -19.291 19.100 -3.622 1.00 0.00 C ATOM 190 CG GLU A 13 -18.795 17.871 -2.808 1.00 0.00 C ATOM 191 CD GLU A 13 -19.907 16.833 -2.482 1.00 0.00 C ATOM 192 OE1 GLU A 13 -20.495 16.908 -1.384 1.00 0.00 O ATOM 193 OE2 GLU A 13 -20.204 15.961 -3.328 1.00 0.00 O ATOM 0 H GLU A 13 -19.582 16.896 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.008 19.698 -5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.676 19.957 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -20.310 19.326 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.002 17.374 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.355 18.221 -1.874 1.00 0.00 H new ATOM 200 N GLY A 14 -17.292 18.385 -6.526 1.00 0.00 N ATOM 201 CA GLY A 14 -16.110 18.665 -7.358 1.00 0.00 C ATOM 202 C GLY A 14 -14.778 18.428 -6.659 1.00 0.00 C ATOM 203 O GLY A 14 -13.722 18.690 -7.246 1.00 0.00 O ATOM 0 H GLY A 14 -17.602 17.414 -6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.154 18.042 -8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.152 19.702 -7.691 1.00 0.00 H new ATOM 207 N ARG A 15 -14.818 17.952 -5.402 1.00 0.00 N ATOM 208 CA ARG A 15 -13.596 17.630 -4.635 1.00 0.00 C ATOM 209 C ARG A 15 -13.146 16.198 -4.962 1.00 0.00 C ATOM 210 O ARG A 15 -13.981 15.311 -5.141 1.00 0.00 O ATOM 211 CB ARG A 15 -13.838 17.785 -3.108 1.00 0.00 C ATOM 212 CG ARG A 15 -14.885 16.810 -2.524 1.00 0.00 C ATOM 213 CD ARG A 15 -15.092 16.978 -1.027 1.00 0.00 C ATOM 214 NE ARG A 15 -15.666 18.293 -0.710 1.00 0.00 N ATOM 215 CZ ARG A 15 -16.182 18.648 0.476 1.00 0.00 C ATOM 216 NH1 ARG A 15 -16.174 17.805 1.504 1.00 0.00 N ATOM 217 NH2 ARG A 15 -16.699 19.856 0.629 1.00 0.00 N ATOM 0 H ARG A 15 -15.685 17.781 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.811 18.330 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.892 17.638 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.159 18.807 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.836 16.960 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.572 15.786 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.752 16.193 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.139 16.861 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.673 18.993 -1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.772 16.874 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.570 18.089 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.704 20.511 -0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.093 20.132 1.528 1.00 0.00 H new ATOM 231 N THR A 16 -11.830 15.978 -5.036 1.00 0.00 N ATOM 232 CA THR A 16 -11.256 14.661 -5.340 1.00 0.00 C ATOM 233 C THR A 16 -10.756 13.998 -4.041 1.00 0.00 C ATOM 234 O THR A 16 -10.106 14.645 -3.210 1.00 0.00 O ATOM 235 CB THR A 16 -10.114 14.806 -6.389 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.595 15.563 -7.507 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.627 13.452 -6.906 1.00 0.00 C ATOM 0 H THR A 16 -11.132 16.707 -4.887 1.00 0.00 H new ATOM 0 HA THR A 16 -12.022 14.017 -5.772 1.00 0.00 H new ATOM 0 HB THR A 16 -9.281 15.306 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.879 15.659 -8.170 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.831 13.606 -7.635 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.247 12.860 -6.073 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.455 12.924 -7.379 1.00 0.00 H new ATOM 245 N LEU A 17 -11.097 12.714 -3.868 1.00 0.00 N ATOM 246 CA LEU A 17 -10.854 11.955 -2.629 1.00 0.00 C ATOM 247 C LEU A 17 -9.902 10.770 -2.902 1.00 0.00 C ATOM 248 O LEU A 17 -10.347 9.692 -3.316 1.00 0.00 O ATOM 249 CB LEU A 17 -12.212 11.446 -2.064 1.00 0.00 C ATOM 250 CG LEU A 17 -13.311 12.520 -1.784 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.622 11.855 -1.312 1.00 0.00 C ATOM 252 CD2 LEU A 17 -12.835 13.597 -0.777 1.00 0.00 C ATOM 0 H LEU A 17 -11.556 12.164 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.381 12.606 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.620 10.719 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.014 10.914 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.507 13.033 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.372 12.623 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.984 11.176 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.437 11.296 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.633 14.321 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.578 13.122 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.958 14.107 -1.177 1.00 0.00 H new ATOM 264 N THR A 18 -8.595 10.980 -2.683 1.00 0.00 N ATOM 265 CA THR A 18 -7.566 9.953 -2.922 1.00 0.00 C ATOM 266 C THR A 18 -7.496 8.953 -1.745 1.00 0.00 C ATOM 267 O THR A 18 -7.093 9.322 -0.636 1.00 0.00 O ATOM 268 CB THR A 18 -6.174 10.621 -3.134 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.266 11.618 -4.158 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.087 9.609 -3.542 1.00 0.00 C ATOM 0 H THR A 18 -8.221 11.863 -2.336 1.00 0.00 H new ATOM 0 HA THR A 18 -7.841 9.405 -3.823 1.00 0.00 H new ATOM 0 HB THR A 18 -5.889 11.062 -2.179 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.389 12.037 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.138 10.129 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.981 8.855 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.372 9.126 -4.477 1.00 0.00 H new ATOM 278 N VAL A 19 -7.914 7.697 -1.991 1.00 0.00 N ATOM 279 CA VAL A 19 -7.859 6.597 -0.999 1.00 0.00 C ATOM 280 C VAL A 19 -7.237 5.341 -1.626 1.00 0.00 C ATOM 281 O VAL A 19 -7.238 5.182 -2.850 1.00 0.00 O ATOM 282 CB VAL A 19 -9.280 6.228 -0.420 1.00 0.00 C ATOM 283 CG1 VAL A 19 -9.869 7.394 0.393 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.268 5.766 -1.532 1.00 0.00 C ATOM 0 H VAL A 19 -8.303 7.411 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.242 6.956 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.138 5.382 0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.848 7.110 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.205 7.629 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.972 8.269 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.232 5.523 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.397 6.567 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.867 4.884 -2.031 1.00 0.00 H new ATOM 294 N ASP A 20 -6.732 4.435 -0.772 1.00 0.00 N ATOM 295 CA ASP A 20 -6.161 3.151 -1.218 1.00 0.00 C ATOM 296 C ASP A 20 -6.973 2.000 -0.619 1.00 0.00 C ATOM 297 O ASP A 20 -7.300 2.001 0.571 1.00 0.00 O ATOM 298 CB ASP A 20 -4.652 3.028 -0.861 1.00 0.00 C ATOM 299 CG ASP A 20 -4.379 2.863 0.637 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.454 3.861 1.371 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.097 1.729 1.086 1.00 0.00 O ATOM 0 H ASP A 20 -6.707 4.569 0.239 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.223 3.104 -2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.231 2.175 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.131 3.915 -1.220 1.00 0.00 H new ATOM 306 N VAL A 21 -7.319 1.036 -1.472 1.00 0.00 N ATOM 307 CA VAL A 21 -8.140 -0.137 -1.119 1.00 0.00 C ATOM 308 C VAL A 21 -7.677 -1.345 -1.945 1.00 0.00 C ATOM 309 O VAL A 21 -7.099 -1.184 -3.028 1.00 0.00 O ATOM 310 CB VAL A 21 -9.680 0.121 -1.383 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.329 1.029 -0.306 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.886 0.715 -2.795 1.00 0.00 C ATOM 0 H VAL A 21 -7.033 1.043 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.011 -0.330 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.183 -0.844 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.384 1.171 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.233 0.559 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.826 1.996 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.949 0.888 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.347 1.659 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.508 0.017 -3.542 1.00 0.00 H new ATOM 322 N LYS A 22 -7.929 -2.551 -1.417 1.00 0.00 N ATOM 323 CA LYS A 22 -7.584 -3.809 -2.097 1.00 0.00 C ATOM 324 C LYS A 22 -8.483 -3.994 -3.345 1.00 0.00 C ATOM 325 O LYS A 22 -9.660 -3.632 -3.301 1.00 0.00 O ATOM 326 CB LYS A 22 -7.753 -4.999 -1.107 1.00 0.00 C ATOM 327 CG LYS A 22 -6.976 -4.816 0.219 1.00 0.00 C ATOM 328 CD LYS A 22 -7.169 -5.961 1.249 1.00 0.00 C ATOM 329 CE LYS A 22 -6.469 -7.286 0.876 1.00 0.00 C ATOM 330 NZ LYS A 22 -7.144 -8.033 -0.229 1.00 0.00 N ATOM 0 H LYS A 22 -8.376 -2.683 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.545 -3.777 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.812 -5.127 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.417 -5.915 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.914 -4.726 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.285 -3.877 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.795 -5.628 2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.236 -6.150 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.441 -7.073 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.424 -7.924 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.089 -9.055 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.142 -7.745 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.672 -7.820 -1.131 1.00 0.00 H new ATOM 344 N PRO A 23 -7.941 -4.530 -4.485 1.00 0.00 N ATOM 345 CA PRO A 23 -8.761 -4.840 -5.691 1.00 0.00 C ATOM 346 C PRO A 23 -9.791 -5.961 -5.419 1.00 0.00 C ATOM 347 O PRO A 23 -10.735 -6.156 -6.190 1.00 0.00 O ATOM 348 CB PRO A 23 -7.709 -5.258 -6.756 1.00 0.00 C ATOM 349 CG PRO A 23 -6.497 -5.677 -5.967 1.00 0.00 C ATOM 350 CD PRO A 23 -6.506 -4.856 -4.694 1.00 0.00 C ATOM 0 HA PRO A 23 -9.366 -3.993 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.078 -6.076 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.476 -4.431 -7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.531 -6.743 -5.741 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.584 -5.500 -6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.098 -5.418 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.903 -3.954 -4.797 1.00 0.00 H new ATOM 358 N ASP A 24 -9.582 -6.672 -4.298 1.00 0.00 N ATOM 359 CA ASP A 24 -10.457 -7.750 -3.804 1.00 0.00 C ATOM 360 C ASP A 24 -11.746 -7.177 -3.165 1.00 0.00 C ATOM 361 O ASP A 24 -12.716 -7.913 -2.936 1.00 0.00 O ATOM 362 CB ASP A 24 -9.675 -8.593 -2.752 1.00 0.00 C ATOM 363 CG ASP A 24 -8.248 -8.967 -3.194 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.338 -8.108 -3.081 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.029 -10.097 -3.676 1.00 0.00 O ATOM 0 H ASP A 24 -8.777 -6.508 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.751 -8.377 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.621 -8.033 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.233 -9.506 -2.545 1.00 0.00 H new ATOM 370 N ARG A 25 -11.737 -5.860 -2.877 1.00 0.00 N ATOM 371 CA ARG A 25 -12.872 -5.145 -2.257 1.00 0.00 C ATOM 372 C ARG A 25 -13.953 -4.851 -3.305 1.00 0.00 C ATOM 373 O ARG A 25 -13.676 -4.842 -4.501 1.00 0.00 O ATOM 374 CB ARG A 25 -12.385 -3.814 -1.615 1.00 0.00 C ATOM 375 CG ARG A 25 -11.327 -3.968 -0.500 1.00 0.00 C ATOM 376 CD ARG A 25 -11.862 -4.648 0.767 1.00 0.00 C ATOM 377 NE ARG A 25 -10.772 -4.945 1.718 1.00 0.00 N ATOM 378 CZ ARG A 25 -10.644 -4.437 2.956 1.00 0.00 C ATOM 379 NH1 ARG A 25 -11.506 -3.546 3.430 1.00 0.00 N ATOM 380 NH2 ARG A 25 -9.644 -4.842 3.730 1.00 0.00 N ATOM 0 H ARG A 25 -10.936 -5.258 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.296 -5.780 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.972 -3.181 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.248 -3.290 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.487 -4.546 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.942 -2.983 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.599 -4.003 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.374 -5.572 0.498 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.050 -5.595 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.286 -3.233 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.389 -3.174 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.979 -5.534 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.540 -4.461 4.670 1.00 0.00 H new ATOM 394 N THR A 26 -15.179 -4.610 -2.840 1.00 0.00 N ATOM 395 CA THR A 26 -16.314 -4.255 -3.703 1.00 0.00 C ATOM 396 C THR A 26 -16.451 -2.728 -3.789 1.00 0.00 C ATOM 397 O THR A 26 -15.799 -1.991 -3.034 1.00 0.00 O ATOM 398 CB THR A 26 -17.643 -4.899 -3.185 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.853 -4.559 -1.810 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.643 -6.432 -3.330 1.00 0.00 C ATOM 0 H THR A 26 -15.417 -4.655 -1.849 1.00 0.00 H new ATOM 0 HA THR A 26 -16.122 -4.650 -4.701 1.00 0.00 H new ATOM 0 HB THR A 26 -18.450 -4.501 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.770 -4.790 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.586 -6.833 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.526 -6.698 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.818 -6.852 -2.755 1.00 0.00 H new ATOM 408 N ILE A 27 -17.281 -2.251 -4.734 1.00 0.00 N ATOM 409 CA ILE A 27 -17.523 -0.808 -4.920 1.00 0.00 C ATOM 410 C ILE A 27 -18.220 -0.230 -3.658 1.00 0.00 C ATOM 411 O ILE A 27 -18.096 0.952 -3.377 1.00 0.00 O ATOM 412 CB ILE A 27 -18.356 -0.523 -6.232 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.663 -1.129 -7.495 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.635 0.986 -6.446 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.280 -0.585 -7.824 1.00 0.00 C ATOM 0 H ILE A 27 -17.797 -2.845 -5.383 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.564 -0.305 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.318 -1.017 -6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.584 -2.208 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.311 -0.963 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.210 1.123 -7.362 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.201 1.375 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.690 1.523 -6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.898 -1.078 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.344 0.489 -8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.606 -0.776 -6.989 1.00 0.00 H new ATOM 427 N GLU A 28 -18.914 -1.113 -2.888 1.00 0.00 N ATOM 428 CA GLU A 28 -19.473 -0.798 -1.543 1.00 0.00 C ATOM 429 C GLU A 28 -18.428 -0.118 -0.631 1.00 0.00 C ATOM 430 O GLU A 28 -18.740 0.845 0.069 1.00 0.00 O ATOM 431 CB GLU A 28 -19.968 -2.103 -0.857 1.00 0.00 C ATOM 432 CG GLU A 28 -21.151 -2.790 -1.557 1.00 0.00 C ATOM 433 CD GLU A 28 -21.452 -4.195 -1.021 1.00 0.00 C ATOM 434 OE1 GLU A 28 -22.164 -4.314 -0.004 1.00 0.00 O ATOM 435 OE2 GLU A 28 -20.953 -5.185 -1.602 1.00 0.00 O ATOM 0 H GLU A 28 -19.102 -2.070 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.303 -0.107 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.137 -2.807 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.256 -1.871 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.040 -2.169 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.942 -2.855 -2.625 1.00 0.00 H new ATOM 442 N GLU A 29 -17.193 -0.658 -0.667 1.00 0.00 N ATOM 443 CA GLU A 29 -16.037 -0.117 0.071 1.00 0.00 C ATOM 444 C GLU A 29 -15.701 1.303 -0.380 1.00 0.00 C ATOM 445 O GLU A 29 -15.419 2.151 0.438 1.00 0.00 O ATOM 446 CB GLU A 29 -14.802 -1.053 -0.092 1.00 0.00 C ATOM 447 CG GLU A 29 -14.883 -2.344 0.744 1.00 0.00 C ATOM 448 CD GLU A 29 -14.778 -2.052 2.249 1.00 0.00 C ATOM 449 OE1 GLU A 29 -13.653 -1.778 2.725 1.00 0.00 O ATOM 450 OE2 GLU A 29 -15.807 -2.060 2.952 1.00 0.00 O ATOM 0 H GLU A 29 -16.970 -1.489 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.305 -0.073 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.696 -1.319 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.903 -0.505 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.824 -2.854 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.082 -3.021 0.448 1.00 0.00 H new ATOM 457 N LEU A 30 -15.760 1.549 -1.686 1.00 0.00 N ATOM 458 CA LEU A 30 -15.482 2.881 -2.249 1.00 0.00 C ATOM 459 C LEU A 30 -16.548 3.882 -1.801 1.00 0.00 C ATOM 460 O LEU A 30 -16.223 4.995 -1.404 1.00 0.00 O ATOM 461 CB LEU A 30 -15.407 2.799 -3.788 1.00 0.00 C ATOM 462 CG LEU A 30 -14.299 1.847 -4.327 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.306 1.765 -5.864 1.00 0.00 C ATOM 464 CD2 LEU A 30 -12.916 2.266 -3.788 1.00 0.00 C ATOM 0 H LEU A 30 -15.999 0.844 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.518 3.230 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.372 2.466 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.235 3.799 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.517 0.844 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.517 1.090 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.271 1.390 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.135 2.757 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.154 1.589 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.694 3.284 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.921 2.221 -2.699 1.00 0.00 H new ATOM 476 N MET A 31 -17.813 3.427 -1.837 1.00 0.00 N ATOM 477 CA MET A 31 -18.990 4.205 -1.430 1.00 0.00 C ATOM 478 C MET A 31 -18.962 4.497 0.090 1.00 0.00 C ATOM 479 O MET A 31 -19.448 5.535 0.535 1.00 0.00 O ATOM 480 CB MET A 31 -20.285 3.455 -1.853 1.00 0.00 C ATOM 481 CG MET A 31 -20.346 3.097 -3.354 1.00 0.00 C ATOM 482 SD MET A 31 -22.016 2.815 -3.994 1.00 0.00 S ATOM 483 CE MET A 31 -22.456 4.457 -4.562 1.00 0.00 C ATOM 0 H MET A 31 -18.047 2.487 -2.157 1.00 0.00 H new ATOM 0 HA MET A 31 -18.975 5.170 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.368 2.539 -1.269 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.148 4.072 -1.603 1.00 0.00 H new ATOM 0 HG2 MET A 31 -19.883 3.902 -3.925 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.749 2.201 -3.525 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.493 4.667 -4.301 1.00 0.00 H new ATOM 0 HE2 MET A 31 -21.806 5.192 -4.087 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.336 4.512 -5.644 1.00 0.00 H new ATOM 493 N GLU A 32 -18.348 3.569 0.850 1.00 0.00 N ATOM 494 CA GLU A 32 -18.156 3.673 2.311 1.00 0.00 C ATOM 495 C GLU A 32 -17.119 4.769 2.619 1.00 0.00 C ATOM 496 O GLU A 32 -17.336 5.643 3.465 1.00 0.00 O ATOM 497 CB GLU A 32 -17.652 2.301 2.853 1.00 0.00 C ATOM 498 CG GLU A 32 -17.639 2.157 4.385 1.00 0.00 C ATOM 499 CD GLU A 32 -19.049 2.166 5.007 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.448 3.179 5.621 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.765 1.149 4.886 1.00 0.00 O ATOM 0 H GLU A 32 -17.964 2.709 0.458 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.099 3.933 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.280 1.513 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.641 2.133 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.137 1.227 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.054 2.970 4.815 1.00 0.00 H new ATOM 508 N LYS A 33 -15.984 4.680 1.900 1.00 0.00 N ATOM 509 CA LYS A 33 -14.851 5.612 2.017 1.00 0.00 C ATOM 510 C LYS A 33 -15.310 7.054 1.716 1.00 0.00 C ATOM 511 O LYS A 33 -15.285 7.899 2.601 1.00 0.00 O ATOM 512 CB LYS A 33 -13.677 5.162 1.075 1.00 0.00 C ATOM 513 CG LYS A 33 -12.669 4.132 1.678 1.00 0.00 C ATOM 514 CD LYS A 33 -13.318 3.009 2.529 1.00 0.00 C ATOM 515 CE LYS A 33 -12.305 1.940 2.990 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.950 0.851 3.780 1.00 0.00 N ATOM 0 H LYS A 33 -15.828 3.945 1.210 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.476 5.595 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.108 4.732 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.121 6.049 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.109 3.673 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.950 4.668 2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.793 3.452 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.105 2.529 1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.812 1.510 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.530 2.413 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.340 0.597 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.871 1.178 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.089 0.018 3.174 1.00 0.00 H new ATOM 530 N LEU A 34 -15.804 7.300 0.483 1.00 0.00 N ATOM 531 CA LEU A 34 -16.223 8.647 0.030 1.00 0.00 C ATOM 532 C LEU A 34 -17.297 9.251 0.952 1.00 0.00 C ATOM 533 O LEU A 34 -17.295 10.457 1.195 1.00 0.00 O ATOM 534 CB LEU A 34 -16.663 8.611 -1.473 1.00 0.00 C ATOM 535 CG LEU A 34 -17.873 7.677 -1.862 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.258 8.338 -1.655 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.737 7.133 -3.302 1.00 0.00 C ATOM 0 H LEU A 34 -15.924 6.575 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.363 9.314 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.915 9.628 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.801 8.308 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.824 6.838 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.042 7.638 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.379 8.607 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.329 9.235 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.590 6.494 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.708 7.966 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.817 6.555 -3.387 1.00 0.00 H new ATOM 549 N LYS A 35 -18.183 8.394 1.498 1.00 0.00 N ATOM 550 CA LYS A 35 -19.229 8.818 2.448 1.00 0.00 C ATOM 551 C LYS A 35 -18.619 9.447 3.721 1.00 0.00 C ATOM 552 O LYS A 35 -19.046 10.520 4.142 1.00 0.00 O ATOM 553 CB LYS A 35 -20.146 7.615 2.796 1.00 0.00 C ATOM 554 CG LYS A 35 -21.160 7.844 3.942 1.00 0.00 C ATOM 555 CD LYS A 35 -22.103 9.047 3.717 1.00 0.00 C ATOM 556 CE LYS A 35 -23.046 9.265 4.907 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.925 10.454 4.715 1.00 0.00 N ATOM 0 H LYS A 35 -18.193 7.395 1.294 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.833 9.590 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.699 7.334 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.514 6.767 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.761 6.943 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.613 7.994 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.510 9.947 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.690 8.884 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.663 8.377 5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.458 9.392 5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.263 10.789 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.387 11.212 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.739 10.192 4.123 1.00 0.00 H new ATOM 571 N GLU A 36 -17.616 8.791 4.318 1.00 0.00 N ATOM 572 CA GLU A 36 -16.987 9.293 5.565 1.00 0.00 C ATOM 573 C GLU A 36 -15.978 10.428 5.279 1.00 0.00 C ATOM 574 O GLU A 36 -15.539 11.117 6.204 1.00 0.00 O ATOM 575 CB GLU A 36 -16.308 8.141 6.348 1.00 0.00 C ATOM 576 CG GLU A 36 -15.121 7.483 5.625 1.00 0.00 C ATOM 577 CD GLU A 36 -14.460 6.370 6.436 1.00 0.00 C ATOM 578 OE1 GLU A 36 -14.739 5.184 6.178 1.00 0.00 O ATOM 579 OE2 GLU A 36 -13.663 6.683 7.350 1.00 0.00 O ATOM 0 H GLU A 36 -17.219 7.919 3.969 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.782 9.707 6.185 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.963 8.526 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.055 7.376 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.465 7.075 4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.377 8.246 5.394 1.00 0.00 H new ATOM 586 N GLN A 37 -15.601 10.608 3.997 1.00 0.00 N ATOM 587 CA GLN A 37 -14.693 11.690 3.570 1.00 0.00 C ATOM 588 C GLN A 37 -15.448 13.014 3.382 1.00 0.00 C ATOM 589 O GLN A 37 -15.228 13.971 4.126 1.00 0.00 O ATOM 590 CB GLN A 37 -13.956 11.310 2.266 1.00 0.00 C ATOM 591 CG GLN A 37 -13.081 10.059 2.380 1.00 0.00 C ATOM 592 CD GLN A 37 -12.309 9.760 1.108 1.00 0.00 C ATOM 593 OE1 GLN A 37 -12.762 9.003 0.247 1.00 0.00 O ATOM 594 NE2 GLN A 37 -11.145 10.372 0.964 1.00 0.00 N ATOM 0 H GLN A 37 -15.916 10.010 3.233 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.956 11.827 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.693 11.153 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.332 12.149 1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.379 10.187 3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.710 9.203 2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.801 10.992 1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.592 10.224 0.120 1.00 0.00 H new ATOM 603 N THR A 38 -16.333 13.064 2.374 1.00 0.00 N ATOM 604 CA THR A 38 -17.041 14.301 1.991 1.00 0.00 C ATOM 605 C THR A 38 -18.375 14.442 2.742 1.00 0.00 C ATOM 606 O THR A 38 -18.830 15.567 2.977 1.00 0.00 O ATOM 607 CB THR A 38 -17.268 14.380 0.444 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.970 15.586 0.082 1.00 0.00 O ATOM 609 CG2 THR A 38 -18.024 13.168 -0.101 1.00 0.00 C ATOM 0 H THR A 38 -16.579 12.255 1.803 1.00 0.00 H new ATOM 0 HA THR A 38 -16.402 15.136 2.279 1.00 0.00 H new ATOM 0 HB THR A 38 -16.276 14.388 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.098 15.611 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.154 13.274 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.457 12.261 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 38 -19.001 13.103 0.378 1.00 0.00 H new ATOM 617 N GLY A 39 -18.994 13.303 3.116 1.00 0.00 N ATOM 618 CA GLY A 39 -20.260 13.306 3.860 1.00 0.00 C ATOM 619 C GLY A 39 -21.475 12.966 3.012 1.00 0.00 C ATOM 620 O GLY A 39 -22.522 12.612 3.561 1.00 0.00 O ATOM 0 H GLY A 39 -18.633 12.371 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.190 12.591 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.405 14.290 4.307 1.00 0.00 H new ATOM 624 N VAL A 40 -21.346 13.067 1.680 1.00 0.00 N ATOM 625 CA VAL A 40 -22.474 12.873 0.740 1.00 0.00 C ATOM 626 C VAL A 40 -22.958 11.379 0.766 1.00 0.00 C ATOM 627 O VAL A 40 -22.121 10.464 0.719 1.00 0.00 O ATOM 628 CB VAL A 40 -22.087 13.365 -0.726 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.233 12.343 -1.510 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.331 13.807 -1.533 1.00 0.00 C ATOM 0 H VAL A 40 -20.462 13.285 1.220 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.313 13.489 1.063 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.454 14.241 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.006 12.741 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.304 12.156 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.786 11.410 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.023 14.135 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.021 12.969 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.826 14.629 -1.017 1.00 0.00 H new ATOM 640 N PRO A 41 -24.310 11.109 0.923 1.00 0.00 N ATOM 641 CA PRO A 41 -24.859 9.729 1.000 1.00 0.00 C ATOM 642 C PRO A 41 -24.699 8.964 -0.342 1.00 0.00 C ATOM 643 O PRO A 41 -25.226 9.409 -1.363 1.00 0.00 O ATOM 644 CB PRO A 41 -26.353 9.949 1.363 1.00 0.00 C ATOM 645 CG PRO A 41 -26.665 11.328 0.868 1.00 0.00 C ATOM 646 CD PRO A 41 -25.392 12.124 1.059 1.00 0.00 C ATOM 0 HA PRO A 41 -24.335 9.112 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.990 9.204 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.516 9.868 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.963 11.311 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.491 11.768 1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.297 12.911 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.366 12.607 2.036 1.00 0.00 H new ATOM 654 N PRO A 42 -23.973 7.799 -0.357 1.00 0.00 N ATOM 655 CA PRO A 42 -23.609 7.089 -1.611 1.00 0.00 C ATOM 656 C PRO A 42 -24.828 6.511 -2.362 1.00 0.00 C ATOM 657 O PRO A 42 -24.776 6.328 -3.577 1.00 0.00 O ATOM 658 CB PRO A 42 -22.660 5.976 -1.115 1.00 0.00 C ATOM 659 CG PRO A 42 -23.055 5.732 0.308 1.00 0.00 C ATOM 660 CD PRO A 42 -23.461 7.081 0.842 1.00 0.00 C ATOM 0 HA PRO A 42 -23.155 7.756 -2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.766 5.072 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.617 6.286 -1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.877 5.019 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.227 5.315 0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.227 6.992 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.617 7.604 1.291 1.00 0.00 H new ATOM 668 N GLU A 43 -25.918 6.246 -1.623 1.00 0.00 N ATOM 669 CA GLU A 43 -27.192 5.751 -2.200 1.00 0.00 C ATOM 670 C GLU A 43 -27.793 6.781 -3.191 1.00 0.00 C ATOM 671 O GLU A 43 -28.443 6.417 -4.176 1.00 0.00 O ATOM 672 CB GLU A 43 -28.196 5.448 -1.057 1.00 0.00 C ATOM 673 CG GLU A 43 -28.600 6.681 -0.221 1.00 0.00 C ATOM 674 CD GLU A 43 -29.581 6.360 0.915 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.768 6.093 0.628 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.173 6.367 2.093 1.00 0.00 O ATOM 0 H GLU A 43 -25.947 6.367 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 43 -26.991 4.835 -2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.094 5.005 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.759 4.702 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.703 7.132 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -29.050 7.424 -0.879 1.00 0.00 H new ATOM 683 N GLN A 44 -27.522 8.071 -2.908 1.00 0.00 N ATOM 684 CA GLN A 44 -27.985 9.222 -3.706 1.00 0.00 C ATOM 685 C GLN A 44 -27.099 9.419 -4.965 1.00 0.00 C ATOM 686 O GLN A 44 -27.457 10.171 -5.872 1.00 0.00 O ATOM 687 CB GLN A 44 -27.947 10.492 -2.796 1.00 0.00 C ATOM 688 CG GLN A 44 -28.465 11.802 -3.435 1.00 0.00 C ATOM 689 CD GLN A 44 -28.172 13.066 -2.618 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.951 14.017 -2.631 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.014 13.117 -1.964 1.00 0.00 N ATOM 0 H GLN A 44 -26.963 8.347 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 44 -29.002 9.044 -4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.536 10.291 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.919 10.651 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -28.018 11.911 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.542 11.720 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.388 12.312 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -26.752 13.961 -1.455 1.00 0.00 H new ATOM 700 N LEU A 45 -25.942 8.729 -5.007 1.00 0.00 N ATOM 701 CA LEU A 45 -24.928 8.876 -6.080 1.00 0.00 C ATOM 702 C LEU A 45 -24.676 7.544 -6.811 1.00 0.00 C ATOM 703 O LEU A 45 -25.198 6.491 -6.436 1.00 0.00 O ATOM 704 CB LEU A 45 -23.567 9.423 -5.518 1.00 0.00 C ATOM 705 CG LEU A 45 -23.526 10.923 -5.062 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.099 11.852 -6.147 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.225 11.138 -3.715 1.00 0.00 C ATOM 0 H LEU A 45 -25.679 8.048 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.334 9.597 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.281 8.804 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.805 9.283 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.477 11.184 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.057 12.885 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.512 11.751 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.135 11.579 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.171 12.192 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.270 10.837 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.732 10.538 -2.950 1.00 0.00 H new ATOM 719 N ARG A 46 -23.859 7.640 -7.872 1.00 0.00 N ATOM 720 CA ARG A 46 -23.404 6.518 -8.704 1.00 0.00 C ATOM 721 C ARG A 46 -21.897 6.694 -8.936 1.00 0.00 C ATOM 722 O ARG A 46 -21.471 7.759 -9.407 1.00 0.00 O ATOM 723 CB ARG A 46 -24.129 6.505 -10.088 1.00 0.00 C ATOM 724 CG ARG A 46 -25.667 6.467 -10.022 1.00 0.00 C ATOM 725 CD ARG A 46 -26.311 6.393 -11.411 1.00 0.00 C ATOM 726 NE ARG A 46 -27.782 6.302 -11.345 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.536 5.378 -11.969 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.997 4.419 -12.706 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.855 5.427 -11.858 1.00 0.00 N ATOM 0 H ARG A 46 -23.484 8.536 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.628 5.580 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.827 7.391 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.784 5.639 -10.653 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.981 5.606 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -26.028 7.356 -9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -26.030 7.275 -11.986 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.920 5.527 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 46 -28.268 6.997 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.984 4.366 -12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.595 3.733 -13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -30.293 6.162 -11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.433 4.730 -12.328 1.00 0.00 H new ATOM 743 N VAL A 47 -21.096 5.674 -8.590 1.00 0.00 N ATOM 744 CA VAL A 47 -19.645 5.699 -8.834 1.00 0.00 C ATOM 745 C VAL A 47 -19.380 5.398 -10.320 1.00 0.00 C ATOM 746 O VAL A 47 -19.949 4.458 -10.870 1.00 0.00 O ATOM 747 CB VAL A 47 -18.887 4.671 -7.918 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.369 4.741 -8.143 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.221 4.904 -6.431 1.00 0.00 C ATOM 0 H VAL A 47 -21.429 4.821 -8.140 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.266 6.690 -8.586 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.226 3.673 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.872 4.019 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.144 4.510 -9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -17.012 5.744 -7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.683 4.179 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.923 5.913 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.293 4.785 -6.276 1.00 0.00 H new ATOM 759 N ILE A 48 -18.541 6.230 -10.963 1.00 0.00 N ATOM 760 CA ILE A 48 -18.245 6.146 -12.410 1.00 0.00 C ATOM 761 C ILE A 48 -16.720 6.042 -12.622 1.00 0.00 C ATOM 762 O ILE A 48 -15.987 6.950 -12.267 1.00 0.00 O ATOM 763 CB ILE A 48 -18.788 7.415 -13.191 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.303 7.688 -12.896 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.543 7.285 -14.713 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.273 6.613 -13.338 1.00 0.00 C ATOM 0 H ILE A 48 -18.044 6.986 -10.492 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.745 5.260 -12.801 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.225 8.273 -12.825 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.422 7.837 -11.823 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.584 8.623 -13.381 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.926 8.170 -15.220 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.474 7.193 -14.903 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.056 6.400 -15.090 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.289 6.912 -13.082 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.197 6.475 -14.417 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.032 5.677 -12.835 1.00 0.00 H new ATOM 778 N TYR A 49 -16.263 4.928 -13.201 1.00 0.00 N ATOM 779 CA TYR A 49 -14.843 4.707 -13.558 1.00 0.00 C ATOM 780 C TYR A 49 -14.617 4.997 -15.047 1.00 0.00 C ATOM 781 O TYR A 49 -15.034 4.206 -15.895 1.00 0.00 O ATOM 782 CB TYR A 49 -14.438 3.246 -13.224 1.00 0.00 C ATOM 783 CG TYR A 49 -13.116 2.742 -13.834 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.113 1.719 -14.790 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.885 3.269 -13.449 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.937 1.250 -15.329 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.710 2.797 -13.991 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.741 1.792 -14.928 1.00 0.00 C ATOM 789 OH TYR A 49 -9.563 1.327 -15.467 1.00 0.00 O ATOM 0 H TYR A 49 -16.867 4.142 -13.441 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.221 5.388 -12.977 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.372 3.150 -12.140 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.240 2.586 -13.555 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.051 1.290 -15.110 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.852 4.060 -12.714 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.955 0.459 -16.064 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.765 3.216 -13.680 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.246 0.559 -14.947 1.00 0.00 H new ATOM 799 N ASN A 50 -13.981 6.143 -15.339 1.00 0.00 N ATOM 800 CA ASN A 50 -13.504 6.508 -16.700 1.00 0.00 C ATOM 801 C ASN A 50 -14.676 6.551 -17.737 1.00 0.00 C ATOM 802 O ASN A 50 -14.476 6.370 -18.943 1.00 0.00 O ATOM 803 CB ASN A 50 -12.353 5.530 -17.125 1.00 0.00 C ATOM 804 CG ASN A 50 -11.567 5.968 -18.371 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.386 7.160 -18.627 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.082 5.004 -19.143 1.00 0.00 N ATOM 0 H ASN A 50 -13.777 6.854 -14.637 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.100 7.520 -16.678 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.658 5.424 -16.292 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.781 4.545 -17.310 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.542 5.240 -19.975 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.249 4.027 -18.904 1.00 0.00 H new ATOM 813 N GLY A 51 -15.903 6.836 -17.242 1.00 0.00 N ATOM 814 CA GLY A 51 -17.104 6.910 -18.093 1.00 0.00 C ATOM 815 C GLY A 51 -18.042 5.712 -17.939 1.00 0.00 C ATOM 816 O GLY A 51 -19.178 5.750 -18.422 1.00 0.00 O ATOM 0 H GLY A 51 -16.083 7.018 -16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.652 7.822 -17.855 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.795 6.987 -19.136 1.00 0.00 H new ATOM 820 N ARG A 52 -17.564 4.651 -17.270 1.00 0.00 N ATOM 821 CA ARG A 52 -18.337 3.415 -17.016 1.00 0.00 C ATOM 822 C ARG A 52 -19.030 3.504 -15.653 1.00 0.00 C ATOM 823 O ARG A 52 -18.398 3.888 -14.675 1.00 0.00 O ATOM 824 CB ARG A 52 -17.407 2.167 -17.049 1.00 0.00 C ATOM 825 CG ARG A 52 -18.098 0.840 -16.649 1.00 0.00 C ATOM 826 CD ARG A 52 -17.196 -0.384 -16.806 1.00 0.00 C ATOM 827 NE ARG A 52 -17.935 -1.636 -16.549 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.508 -2.866 -16.879 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.351 -3.037 -17.503 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.239 -3.927 -16.575 1.00 0.00 N ATOM 0 H ARG A 52 -16.620 4.622 -16.884 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.087 3.312 -17.800 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.998 2.061 -18.054 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.565 2.340 -16.379 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.428 0.909 -15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -18.991 0.705 -17.260 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.781 -0.405 -17.814 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.355 -0.308 -16.117 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.840 -1.561 -16.085 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.774 -2.229 -17.738 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.038 -3.976 -17.748 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.128 -3.811 -16.089 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.913 -4.860 -16.827 1.00 0.00 H new ATOM 844 N GLU A 53 -20.315 3.119 -15.591 1.00 0.00 N ATOM 845 CA GLU A 53 -21.074 3.099 -14.330 1.00 0.00 C ATOM 846 C GLU A 53 -20.689 1.857 -13.506 1.00 0.00 C ATOM 847 O GLU A 53 -20.498 0.776 -14.071 1.00 0.00 O ATOM 848 CB GLU A 53 -22.596 3.117 -14.612 1.00 0.00 C ATOM 849 CG GLU A 53 -23.471 3.521 -13.407 1.00 0.00 C ATOM 850 CD GLU A 53 -24.962 3.555 -13.758 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.469 4.630 -14.142 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.628 2.504 -13.679 1.00 0.00 O ATOM 0 H GLU A 53 -20.852 2.816 -16.404 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.826 3.991 -13.755 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.791 3.807 -15.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.901 2.126 -14.949 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.308 2.818 -12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.162 4.503 -13.049 1.00 0.00 H new ATOM 859 N LEU A 54 -20.562 2.015 -12.178 1.00 0.00 N ATOM 860 CA LEU A 54 -20.141 0.925 -11.272 1.00 0.00 C ATOM 861 C LEU A 54 -21.273 0.579 -10.293 1.00 0.00 C ATOM 862 O LEU A 54 -21.816 1.468 -9.616 1.00 0.00 O ATOM 863 CB LEU A 54 -18.856 1.305 -10.471 1.00 0.00 C ATOM 864 CG LEU A 54 -17.660 1.908 -11.285 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.415 2.075 -10.395 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.346 1.090 -12.559 1.00 0.00 C ATOM 0 H LEU A 54 -20.747 2.897 -11.700 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.913 0.057 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.137 2.023 -9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.500 0.411 -9.959 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.966 2.899 -11.621 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.600 2.495 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.647 2.745 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.115 1.103 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.510 1.548 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.084 0.069 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.222 1.076 -13.207 1.00 0.00 H new ATOM 878 N GLU A 55 -21.620 -0.710 -10.242 1.00 0.00 N ATOM 879 CA GLU A 55 -22.573 -1.265 -9.274 1.00 0.00 C ATOM 880 C GLU A 55 -21.855 -1.539 -7.936 1.00 0.00 C ATOM 881 O GLU A 55 -20.781 -2.150 -7.959 1.00 0.00 O ATOM 882 CB GLU A 55 -23.172 -2.575 -9.837 1.00 0.00 C ATOM 883 CG GLU A 55 -23.931 -2.389 -11.165 1.00 0.00 C ATOM 884 CD GLU A 55 -25.298 -1.719 -10.965 1.00 0.00 C ATOM 885 OE1 GLU A 55 -26.269 -2.423 -10.608 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.407 -0.486 -11.139 1.00 0.00 O ATOM 0 H GLU A 55 -21.242 -1.409 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.377 -0.550 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.369 -3.297 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.850 -3.001 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.329 -1.785 -11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.071 -3.360 -11.640 1.00 0.00 H new ATOM 893 N PRO A 56 -22.444 -1.122 -6.759 1.00 0.00 N ATOM 894 CA PRO A 56 -21.814 -1.297 -5.422 1.00 0.00 C ATOM 895 C PRO A 56 -21.461 -2.772 -5.128 1.00 0.00 C ATOM 896 O PRO A 56 -20.358 -3.073 -4.650 1.00 0.00 O ATOM 897 CB PRO A 56 -22.872 -0.731 -4.425 1.00 0.00 C ATOM 898 CG PRO A 56 -24.156 -0.691 -5.203 1.00 0.00 C ATOM 899 CD PRO A 56 -23.756 -0.435 -6.642 1.00 0.00 C ATOM 0 HA PRO A 56 -20.859 -0.778 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -22.964 -1.366 -3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.592 0.262 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.700 -1.631 -5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -24.813 0.096 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.487 -0.842 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.672 0.631 -6.853 1.00 0.00 H new ATOM 907 N ARG A 57 -22.392 -3.670 -5.496 1.00 0.00 N ATOM 908 CA ARG A 57 -22.296 -5.126 -5.248 1.00 0.00 C ATOM 909 C ARG A 57 -21.053 -5.763 -5.906 1.00 0.00 C ATOM 910 O ARG A 57 -20.539 -6.774 -5.420 1.00 0.00 O ATOM 911 CB ARG A 57 -23.586 -5.818 -5.776 1.00 0.00 C ATOM 912 CG ARG A 57 -23.799 -5.701 -7.302 1.00 0.00 C ATOM 913 CD ARG A 57 -25.084 -6.387 -7.793 1.00 0.00 C ATOM 914 NE ARG A 57 -25.191 -6.333 -9.264 1.00 0.00 N ATOM 915 CZ ARG A 57 -26.194 -5.786 -9.969 1.00 0.00 C ATOM 916 NH1 ARG A 57 -27.266 -5.279 -9.364 1.00 0.00 N ATOM 917 NH2 ARG A 57 -26.129 -5.774 -11.296 1.00 0.00 N ATOM 0 H ARG A 57 -23.248 -3.403 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.194 -5.272 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.553 -6.874 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.448 -5.387 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.831 -4.647 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.943 -6.139 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.093 -7.426 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.952 -5.903 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.429 -6.752 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.336 -5.302 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -28.017 -4.868 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.322 -6.178 -11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.886 -5.361 -11.840 1.00 0.00 H new ATOM 931 N THR A 58 -20.585 -5.157 -7.004 1.00 0.00 N ATOM 932 CA THR A 58 -19.516 -5.719 -7.846 1.00 0.00 C ATOM 933 C THR A 58 -18.116 -5.361 -7.301 1.00 0.00 C ATOM 934 O THR A 58 -17.945 -4.326 -6.666 1.00 0.00 O ATOM 935 CB THR A 58 -19.682 -5.199 -9.305 1.00 0.00 C ATOM 936 OG1 THR A 58 -21.056 -5.318 -9.697 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.805 -5.960 -10.318 1.00 0.00 C ATOM 0 H THR A 58 -20.937 -4.259 -7.337 1.00 0.00 H new ATOM 0 HA THR A 58 -19.601 -6.806 -7.832 1.00 0.00 H new ATOM 0 HB THR A 58 -19.359 -4.158 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.164 -4.990 -10.614 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.965 -5.552 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.755 -5.851 -10.045 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.074 -7.016 -10.310 1.00 0.00 H new ATOM 945 N THR A 59 -17.125 -6.231 -7.568 1.00 0.00 N ATOM 946 CA THR A 59 -15.745 -6.065 -7.091 1.00 0.00 C ATOM 947 C THR A 59 -14.966 -5.054 -7.978 1.00 0.00 C ATOM 948 O THR A 59 -15.367 -4.763 -9.115 1.00 0.00 O ATOM 949 CB THR A 59 -15.015 -7.455 -7.078 1.00 0.00 C ATOM 950 OG1 THR A 59 -15.931 -8.492 -6.677 1.00 0.00 O ATOM 951 CG2 THR A 59 -13.817 -7.486 -6.128 1.00 0.00 C ATOM 0 H THR A 59 -17.263 -7.074 -8.125 1.00 0.00 H new ATOM 0 HA THR A 59 -15.776 -5.667 -6.077 1.00 0.00 H new ATOM 0 HB THR A 59 -14.654 -7.620 -8.093 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.467 -9.355 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.352 -8.471 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.091 -6.732 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.153 -7.277 -5.112 1.00 0.00 H new ATOM 959 N LEU A 60 -13.843 -4.552 -7.440 1.00 0.00 N ATOM 960 CA LEU A 60 -12.945 -3.591 -8.113 1.00 0.00 C ATOM 961 C LEU A 60 -12.230 -4.251 -9.303 1.00 0.00 C ATOM 962 O LEU A 60 -12.174 -3.686 -10.400 1.00 0.00 O ATOM 963 CB LEU A 60 -11.893 -3.047 -7.093 1.00 0.00 C ATOM 964 CG LEU A 60 -12.280 -1.761 -6.296 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.641 -1.884 -5.613 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.187 -1.406 -5.273 1.00 0.00 C ATOM 0 H LEU A 60 -13.524 -4.806 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.545 -2.763 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.676 -3.838 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.969 -2.845 -7.634 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.361 -0.950 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.862 -0.963 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.411 -2.057 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.623 -2.720 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.476 -0.507 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.063 -2.231 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.246 -1.228 -5.793 1.00 0.00 H new ATOM 978 N GLU A 61 -11.684 -5.449 -9.047 1.00 0.00 N ATOM 979 CA GLU A 61 -10.956 -6.263 -10.048 1.00 0.00 C ATOM 980 C GLU A 61 -11.830 -6.611 -11.283 1.00 0.00 C ATOM 981 O GLU A 61 -11.300 -6.930 -12.349 1.00 0.00 O ATOM 982 CB GLU A 61 -10.448 -7.562 -9.379 1.00 0.00 C ATOM 983 CG GLU A 61 -11.572 -8.413 -8.763 1.00 0.00 C ATOM 984 CD GLU A 61 -11.072 -9.686 -8.068 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.956 -9.697 -6.822 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.783 -10.677 -8.766 1.00 0.00 O ATOM 0 H GLU A 61 -11.733 -5.891 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.117 -5.668 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.915 -8.159 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.730 -7.304 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.120 -7.807 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.277 -8.691 -9.547 1.00 0.00 H new ATOM 993 N GLU A 62 -13.161 -6.554 -11.107 1.00 0.00 N ATOM 994 CA GLU A 62 -14.138 -6.796 -12.182 1.00 0.00 C ATOM 995 C GLU A 62 -14.161 -5.627 -13.178 1.00 0.00 C ATOM 996 O GLU A 62 -14.287 -5.829 -14.388 1.00 0.00 O ATOM 997 CB GLU A 62 -15.543 -7.014 -11.571 1.00 0.00 C ATOM 998 CG GLU A 62 -15.648 -8.230 -10.627 1.00 0.00 C ATOM 999 CD GLU A 62 -15.367 -9.571 -11.326 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -16.308 -10.171 -11.890 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -14.205 -10.027 -11.329 1.00 0.00 O ATOM 0 H GLU A 62 -13.592 -6.337 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.842 -7.693 -12.726 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.829 -6.117 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.263 -7.135 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.945 -8.103 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.647 -8.258 -10.192 1.00 0.00 H new ATOM 1008 N TYR A 63 -14.025 -4.407 -12.643 1.00 0.00 N ATOM 1009 CA TYR A 63 -14.000 -3.166 -13.446 1.00 0.00 C ATOM 1010 C TYR A 63 -12.558 -2.753 -13.793 1.00 0.00 C ATOM 1011 O TYR A 63 -12.356 -1.813 -14.571 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.704 -2.023 -12.678 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.191 -2.279 -12.398 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.726 -2.211 -11.113 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -17.061 -2.566 -13.445 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.071 -2.419 -10.891 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.403 -2.779 -13.225 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.905 -2.698 -11.951 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.247 -2.900 -11.730 1.00 0.00 O ATOM 0 H TYR A 63 -13.929 -4.247 -11.640 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.532 -3.358 -14.378 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.189 -1.865 -11.730 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.607 -1.101 -13.251 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.077 -1.992 -10.278 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.675 -2.623 -14.452 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.469 -2.363 -9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.058 -3.009 -14.052 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.695 -3.085 -12.582 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.582 -3.468 -13.200 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.143 -3.167 -13.307 1.00 0.00 C ATOM 1031 C ASN A 64 -9.855 -1.747 -12.771 1.00 0.00 C ATOM 1032 O ASN A 64 -9.233 -0.907 -13.446 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.610 -3.374 -14.765 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.071 -3.398 -14.870 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.490 -2.883 -15.824 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.406 -4.059 -13.933 1.00 0.00 N ATOM 0 H ASN A 64 -11.777 -4.286 -12.623 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.596 -3.876 -12.685 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.006 -4.311 -15.157 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.995 -2.576 -15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.392 -4.148 -13.994 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.909 -4.478 -13.151 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.363 -1.491 -11.547 1.00 0.00 N ATOM 1044 CA ILE A 65 -10.108 -0.241 -10.810 1.00 0.00 C ATOM 1045 C ILE A 65 -8.634 -0.234 -10.364 1.00 0.00 C ATOM 1046 O ILE A 65 -8.308 -0.740 -9.303 1.00 0.00 O ATOM 1047 CB ILE A 65 -11.060 -0.099 -9.550 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.561 -0.268 -9.943 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.835 1.246 -8.814 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -13.096 0.786 -10.883 1.00 0.00 C ATOM 0 H ILE A 65 -10.961 -2.147 -11.044 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.314 0.605 -11.465 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.800 -0.904 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.692 -1.246 -10.405 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.162 -0.262 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.505 1.308 -7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.802 1.305 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -11.040 2.072 -9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -14.145 0.584 -11.097 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -13.003 1.768 -10.419 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.526 0.768 -11.812 1.00 0.00 H new ATOM 1062 N THR A 66 -7.761 0.259 -11.242 1.00 0.00 N ATOM 1063 CA THR A 66 -6.299 0.304 -11.031 1.00 0.00 C ATOM 1064 C THR A 66 -5.857 1.653 -10.409 1.00 0.00 C ATOM 1065 O THR A 66 -6.582 2.638 -10.522 1.00 0.00 O ATOM 1066 CB THR A 66 -5.582 0.044 -12.396 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.231 0.796 -13.437 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.563 -1.455 -12.747 1.00 0.00 C ATOM 0 H THR A 66 -8.047 0.648 -12.140 1.00 0.00 H new ATOM 0 HA THR A 66 -6.016 -0.474 -10.322 1.00 0.00 H new ATOM 0 HB THR A 66 -4.547 0.373 -12.305 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.778 0.632 -14.290 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.057 -1.599 -13.702 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.033 -2.004 -11.969 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.586 -1.825 -12.819 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.647 1.725 -9.744 1.00 0.00 N ATOM 1077 CA PRO A 67 -4.211 2.937 -9.007 1.00 0.00 C ATOM 1078 C PRO A 67 -3.913 4.140 -9.930 1.00 0.00 C ATOM 1079 O PRO A 67 -3.335 3.978 -11.009 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.929 2.469 -8.279 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.393 1.367 -9.136 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.611 0.653 -9.673 1.00 0.00 C ATOM 0 HA PRO A 67 -4.991 3.302 -8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.209 3.282 -8.181 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.151 2.116 -7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.779 1.761 -9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.763 0.690 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.419 0.216 -10.653 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.920 -0.160 -9.016 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.327 5.338 -9.482 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.065 6.585 -10.194 1.00 0.00 C ATOM 1092 C GLY A 68 -5.237 7.052 -11.043 1.00 0.00 C ATOM 1093 O GLY A 68 -5.192 8.151 -11.594 1.00 0.00 O ATOM 0 H GLY A 68 -4.852 5.461 -8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.817 7.362 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.192 6.453 -10.833 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.290 6.220 -11.165 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.517 6.590 -11.903 1.00 0.00 C ATOM 1099 C VAL A 69 -8.417 7.501 -11.040 1.00 0.00 C ATOM 1100 O VAL A 69 -8.276 7.549 -9.806 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.325 5.324 -12.374 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.439 4.390 -13.244 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.953 4.563 -11.173 1.00 0.00 C ATOM 0 H VAL A 69 -6.316 5.284 -10.761 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.204 7.135 -12.793 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.150 5.672 -12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.021 3.523 -13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.094 4.932 -14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.579 4.059 -12.662 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.502 3.696 -11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.163 4.234 -10.498 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.634 5.225 -10.639 1.00 0.00 H new ATOM 1113 N THR A 70 -9.340 8.219 -11.696 1.00 0.00 N ATOM 1114 CA THR A 70 -10.278 9.121 -11.026 1.00 0.00 C ATOM 1115 C THR A 70 -11.722 8.677 -11.319 1.00 0.00 C ATOM 1116 O THR A 70 -12.202 8.771 -12.457 1.00 0.00 O ATOM 1117 CB THR A 70 -10.079 10.603 -11.477 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.686 10.928 -11.479 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.822 11.585 -10.548 1.00 0.00 C ATOM 0 H THR A 70 -9.454 8.188 -12.709 1.00 0.00 H new ATOM 0 HA THR A 70 -10.084 9.071 -9.955 1.00 0.00 H new ATOM 0 HB THR A 70 -10.491 10.699 -12.482 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.567 11.858 -11.764 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.660 12.606 -10.894 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.889 11.362 -10.562 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.443 11.482 -9.531 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.362 8.127 -10.292 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.799 7.844 -10.266 1.00 0.00 C ATOM 1129 C LEU A 71 -14.576 9.162 -10.113 1.00 0.00 C ATOM 1130 O LEU A 71 -14.029 10.157 -9.638 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.123 6.868 -9.097 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.842 5.337 -9.334 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.521 5.051 -10.077 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.870 4.587 -7.990 1.00 0.00 C ATOM 0 H LEU A 71 -11.886 7.858 -9.431 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.099 7.369 -11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.551 7.185 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.177 6.982 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.637 4.976 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.399 3.975 -10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.543 5.530 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.686 5.446 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.675 3.528 -8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.105 4.995 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.850 4.706 -7.527 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.850 9.161 -10.519 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.711 10.352 -10.483 1.00 0.00 C ATOM 1148 C GLU A 72 -18.095 9.982 -9.931 1.00 0.00 C ATOM 1149 O GLU A 72 -18.627 8.924 -10.260 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.845 10.981 -11.899 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.527 11.515 -12.509 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.727 12.223 -13.862 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.562 13.459 -13.934 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.078 11.546 -14.850 1.00 0.00 O ATOM 0 H GLU A 72 -16.317 8.331 -10.884 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.252 11.091 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.262 10.233 -12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.562 11.801 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.065 12.210 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.832 10.685 -12.640 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.665 10.852 -9.080 1.00 0.00 N ATOM 1162 CA LEU A 73 -20.007 10.657 -8.514 1.00 0.00 C ATOM 1163 C LEU A 73 -21.037 11.453 -9.318 1.00 0.00 C ATOM 1164 O LEU A 73 -20.935 12.676 -9.441 1.00 0.00 O ATOM 1165 CB LEU A 73 -20.058 11.052 -7.014 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.183 10.187 -6.056 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.365 10.621 -4.581 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.481 8.675 -6.239 1.00 0.00 C ATOM 0 H LEU A 73 -18.208 11.708 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.249 9.596 -8.579 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.746 12.092 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -21.094 10.998 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.139 10.354 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.742 9.999 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.072 11.665 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.410 10.506 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.857 8.096 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.531 8.482 -6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.265 8.383 -7.267 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.987 10.726 -9.908 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.146 11.283 -10.628 1.00 0.00 C ATOM 1182 C LYS A 74 -24.411 10.984 -9.812 1.00 0.00 C ATOM 1183 O LYS A 74 -24.471 9.958 -9.144 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.240 10.661 -12.057 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.357 11.339 -13.144 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.836 11.304 -12.842 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.990 12.003 -13.916 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.285 13.451 -13.997 1.00 0.00 N ATOM 0 H LYS A 74 -21.976 9.706 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.037 12.361 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.964 9.608 -11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.279 10.699 -12.383 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.537 10.848 -14.100 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.670 12.377 -13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.652 11.779 -11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.514 10.267 -12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.932 11.860 -13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.178 11.540 -14.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.603 13.909 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.248 13.589 -14.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.212 13.874 -13.050 1.00 0.00 H new ATOM 1202 N THR A 75 -25.409 11.876 -9.870 1.00 0.00 N ATOM 1203 CA THR A 75 -26.667 11.725 -9.111 1.00 0.00 C ATOM 1204 C THR A 75 -27.445 10.452 -9.536 1.00 0.00 C ATOM 1205 O THR A 75 -27.365 10.012 -10.689 1.00 0.00 O ATOM 1206 CB THR A 75 -27.565 12.994 -9.280 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.740 13.285 -10.680 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.969 14.227 -8.566 1.00 0.00 C ATOM 0 H THR A 75 -25.372 12.721 -10.441 1.00 0.00 H new ATOM 0 HA THR A 75 -26.404 11.616 -8.059 1.00 0.00 H new ATOM 0 HB THR A 75 -28.529 12.777 -8.819 1.00 0.00 H new ATOM 0 HG1 THR A 75 -28.305 14.080 -10.781 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.626 15.084 -8.711 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.873 14.019 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.986 14.449 -8.982 1.00 0.00 H new ATOM 1216 N ARG A 76 -28.183 9.866 -8.583 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.997 8.662 -8.799 1.00 0.00 C ATOM 1218 C ARG A 76 -30.471 9.077 -8.702 1.00 0.00 C ATOM 1219 O ARG A 76 -31.069 9.037 -7.617 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.597 7.543 -7.772 1.00 0.00 C ATOM 1221 CG ARG A 76 -29.192 6.128 -8.034 1.00 0.00 C ATOM 1222 CD ARG A 76 -30.608 5.928 -7.468 1.00 0.00 C ATOM 1223 NE ARG A 76 -30.628 5.987 -5.994 1.00 0.00 N ATOM 1224 CZ ARG A 76 -31.593 6.544 -5.240 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -32.643 7.142 -5.792 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -31.504 6.494 -3.922 1.00 0.00 N ATOM 0 H ARG A 76 -28.232 10.220 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.824 8.231 -9.785 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.510 7.461 -7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.904 7.865 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.213 5.948 -9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.529 5.380 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -31.271 6.694 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -30.997 4.965 -7.797 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.839 5.568 -5.502 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -32.730 7.186 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -33.363 7.557 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -30.707 6.035 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -32.233 6.915 -3.345 1.00 0.00 H new ATOM 1240 N SER A 77 -30.995 9.594 -9.838 1.00 0.00 N ATOM 1241 CA SER A 77 -32.403 10.032 -9.995 1.00 0.00 C ATOM 1242 C SER A 77 -32.770 11.181 -9.028 1.00 0.00 C ATOM 1243 O SER A 77 -33.948 11.494 -8.822 1.00 0.00 O ATOM 1244 CB SER A 77 -33.354 8.823 -9.834 1.00 0.00 C ATOM 1245 OG SER A 77 -32.996 7.775 -10.724 1.00 0.00 O ATOM 0 H SER A 77 -30.442 9.721 -10.686 1.00 0.00 H new ATOM 0 HA SER A 77 -32.520 10.434 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 77 -33.318 8.461 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 77 -34.381 9.134 -10.027 1.00 0.00 H new ATOM 0 HG SER A 77 -33.609 7.020 -10.604 1.00 0.00 H new ATOM 1251 N SER A 78 -31.726 11.821 -8.488 1.00 0.00 N ATOM 1252 CA SER A 78 -31.821 12.842 -7.445 1.00 0.00 C ATOM 1253 C SER A 78 -31.410 14.213 -7.992 1.00 0.00 C ATOM 1254 O SER A 78 -30.769 14.310 -9.052 1.00 0.00 O ATOM 1255 CB SER A 78 -30.916 12.412 -6.265 1.00 0.00 C ATOM 1256 OG SER A 78 -29.596 12.106 -6.704 1.00 0.00 O ATOM 0 H SER A 78 -30.765 11.635 -8.775 1.00 0.00 H new ATOM 0 HA SER A 78 -32.851 12.933 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.878 13.211 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 78 -31.348 11.541 -5.773 1.00 0.00 H new ATOM 0 HG SER A 78 -29.225 11.389 -6.149 1.00 0.00 H new ATOM 1262 N GLY A 79 -31.798 15.273 -7.264 1.00 0.00 N ATOM 1263 CA GLY A 79 -31.432 16.635 -7.625 1.00 0.00 C ATOM 1264 C GLY A 79 -30.059 16.992 -7.089 1.00 0.00 C ATOM 1265 O GLY A 79 -29.106 17.160 -7.860 1.00 0.00 O ATOM 0 H GLY A 79 -32.367 15.203 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -31.441 16.742 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -32.172 17.331 -7.230 1.00 0.00 H new ATOM 1269 N HIS A 80 -29.971 17.045 -5.748 1.00 0.00 N ATOM 1270 CA HIS A 80 -28.773 17.464 -5.003 1.00 0.00 C ATOM 1271 C HIS A 80 -28.268 18.832 -5.515 1.00 0.00 C ATOM 1272 O HIS A 80 -27.278 18.915 -6.258 1.00 0.00 O ATOM 1273 CB HIS A 80 -27.673 16.357 -5.030 1.00 0.00 C ATOM 1274 CG HIS A 80 -26.436 16.688 -4.222 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -25.191 16.839 -4.788 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -26.272 16.921 -2.898 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -24.321 17.139 -3.849 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -24.948 17.200 -2.691 1.00 0.00 N ATOM 0 H HIS A 80 -30.749 16.792 -5.139 1.00 0.00 H new ATOM 0 HA HIS A 80 -29.040 17.597 -3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -28.100 15.427 -4.654 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -27.380 16.178 -6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -27.044 16.892 -2.144 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.265 17.308 -4.001 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.519 17.418 -1.792 1.00 0.00 H new ATOM 1287 N GLY A 81 -29.031 19.887 -5.182 1.00 0.00 N ATOM 1288 CA GLY A 81 -28.682 21.265 -5.539 1.00 0.00 C ATOM 1289 C GLY A 81 -27.487 21.771 -4.743 1.00 0.00 C ATOM 1290 O GLY A 81 -26.623 22.476 -5.274 1.00 0.00 O ATOM 0 H GLY A 81 -29.903 19.805 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -28.458 21.319 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -29.539 21.915 -5.360 1.00 0.00 H new ATOM 1294 N THR A 82 -27.459 21.383 -3.460 1.00 0.00 N ATOM 1295 CA THR A 82 -26.360 21.659 -2.532 1.00 0.00 C ATOM 1296 C THR A 82 -26.391 20.611 -1.386 1.00 0.00 C ATOM 1297 CB THR A 82 -26.394 23.137 -1.983 1.00 0.00 C ATOM 1298 OG1 THR A 82 -25.383 23.323 -0.979 1.00 0.00 O ATOM 1299 CG2 THR A 82 -27.762 23.554 -1.415 1.00 0.00 C ATOM 0 H THR A 82 -28.220 20.856 -3.031 1.00 0.00 H new ATOM 0 HA THR A 82 -25.417 21.571 -3.071 1.00 0.00 H new ATOM 0 HB THR A 82 -26.198 23.778 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 82 -25.415 24.245 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 -27.709 24.582 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 82 -28.518 23.481 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 82 -28.029 22.895 -0.589 1.00 0.00 H new TER 1307 THR A 82