USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 77 THR OG1 : rot 180:sc=-0.000479 USER MOD Set 1.2: A 81 THR OG1 : rot 86:sc= 0.473 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -2.08! C(o=-3.8!,f=-0.81!) USER MOD Set 2.2: A 73 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0452 (180deg=0) USER MOD Single : A 6 TYR OH : rot 54:sc= 0.681 USER MOD Single : A 7 ASN : amide:sc= -4.12! C(o=-4.1!,f=-4.8!) USER MOD Single : A 11 MET CE :methyl 157:sc= -1.89 (180deg=-3.81!) USER MOD Single : A 17 GLN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 169:sc= -0.31 (180deg=-0.516) USER MOD Single : A 64 MET CE :methyl -152:sc= -0.0401 (180deg=-0.363) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 69 SER OG : rot 110:sc= -0.602! USER MOD Single : A 75 LYS NZ :NH3+ -133:sc= 0.658 (180deg=0.309) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 82:sc= 0.876 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 92 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.21! C(o=-2.2!,f=-7.5!) USER MOD Single : A 102 SER OG : rot 144:sc= -0.223 USER MOD Single : A 108 MET CE :methyl 179:sc= -1.69 (180deg=-1.7) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= -0.0287 (180deg=-0.179) USER MOD Single : A 124 SER OG : rot -37:sc= 0.4 USER MOD Single : A 125 GLN :FLIP amide:sc= -1 F(o=-3.2!,f=-1) USER MOD Single : A 128 CYS SG : rot 180:sc= -0.0894 USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 MET CE :methyl 138:sc= -0.186 (180deg=-0.969) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.026 -18.474 10.188 1.00 0.00 N ATOM 2 CA GLY A 1 -0.362 -17.540 9.249 1.00 0.00 C ATOM 3 C GLY A 1 0.905 -18.137 8.672 1.00 0.00 C ATOM 4 O GLY A 1 1.002 -19.357 8.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.058 -18.370 10.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.758 -19.451 9.953 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.729 -18.258 11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.047 -17.288 8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.124 -16.611 9.766 1.00 0.00 H new ATOM 10 N ASP A 2 1.880 -17.287 8.353 1.00 0.00 N ATOM 11 CA ASP A 2 3.151 -17.739 7.785 1.00 0.00 C ATOM 12 C ASP A 2 4.147 -16.583 7.708 1.00 0.00 C ATOM 13 O ASP A 2 5.226 -16.633 8.300 1.00 0.00 O ATOM 14 CB ASP A 2 2.939 -18.329 6.379 1.00 0.00 C ATOM 15 CG ASP A 2 4.219 -18.899 5.779 1.00 0.00 C ATOM 16 OD1 ASP A 2 5.006 -18.130 5.185 1.00 0.00 O ATOM 17 OD2 ASP A 2 4.442 -20.124 5.896 1.00 0.00 O ATOM 0 H ASP A 2 1.814 -16.277 8.479 1.00 0.00 H new ATOM 0 HA ASP A 2 3.553 -18.513 8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.185 -19.115 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.548 -17.554 5.720 1.00 0.00 H new ATOM 22 N ILE A 3 3.764 -15.536 6.983 1.00 0.00 N ATOM 23 CA ILE A 3 4.653 -14.411 6.703 1.00 0.00 C ATOM 24 C ILE A 3 4.189 -13.140 7.442 1.00 0.00 C ATOM 25 O ILE A 3 4.779 -12.066 7.293 1.00 0.00 O ATOM 26 CB ILE A 3 4.721 -14.160 5.171 1.00 0.00 C ATOM 27 CG1 ILE A 3 5.871 -13.203 4.811 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.385 -13.626 4.651 1.00 0.00 C ATOM 29 CD1 ILE A 3 6.020 -12.946 3.325 1.00 0.00 C ATOM 0 H ILE A 3 2.834 -15.443 6.575 1.00 0.00 H new ATOM 0 HA ILE A 3 5.650 -14.660 7.066 1.00 0.00 H new ATOM 0 HB ILE A 3 4.921 -15.115 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.710 -12.252 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.805 -13.615 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.454 -13.457 3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.599 -14.353 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.149 -12.687 5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.852 -12.262 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.214 -13.887 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.102 -12.503 2.938 1.00 0.00 H new ATOM 41 N ARG A 4 3.151 -13.280 8.275 1.00 0.00 N ATOM 42 CA ARG A 4 2.568 -12.145 9.009 1.00 0.00 C ATOM 43 C ARG A 4 3.595 -11.450 9.905 1.00 0.00 C ATOM 44 O ARG A 4 3.348 -10.345 10.403 1.00 0.00 O ATOM 45 CB ARG A 4 1.365 -12.594 9.854 1.00 0.00 C ATOM 46 CG ARG A 4 0.182 -13.096 9.032 1.00 0.00 C ATOM 47 CD ARG A 4 -0.985 -13.508 9.917 1.00 0.00 C ATOM 48 NE ARG A 4 -2.127 -13.998 9.142 1.00 0.00 N ATOM 49 CZ ARG A 4 -3.315 -14.297 9.670 1.00 0.00 C ATOM 50 NH1 ARG A 4 -3.526 -14.152 10.972 1.00 0.00 N ATOM 51 NH2 ARG A 4 -4.300 -14.731 8.897 1.00 0.00 N ATOM 0 H ARG A 4 2.694 -14.173 8.460 1.00 0.00 H new ATOM 0 HA ARG A 4 2.233 -11.428 8.259 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.685 -13.385 10.532 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.036 -11.759 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.141 -12.314 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.495 -13.945 8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.657 -14.285 10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.298 -12.656 10.521 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.007 -14.118 8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.778 -13.810 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.437 -14.382 11.370 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.152 -14.838 7.894 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.207 -14.958 9.306 1.00 0.00 H new ATOM 65 N ASP A 5 4.737 -12.100 10.115 1.00 0.00 N ATOM 66 CA ASP A 5 5.826 -11.521 10.899 1.00 0.00 C ATOM 67 C ASP A 5 6.234 -10.162 10.328 1.00 0.00 C ATOM 68 O ASP A 5 6.301 -9.162 11.055 1.00 0.00 O ATOM 69 CB ASP A 5 7.032 -12.471 10.910 1.00 0.00 C ATOM 70 CG ASP A 5 8.235 -11.898 11.650 1.00 0.00 C ATOM 71 OD1 ASP A 5 8.230 -11.907 12.900 1.00 0.00 O ATOM 72 OD2 ASP A 5 9.194 -11.448 10.986 1.00 0.00 O ATOM 0 H ASP A 5 4.933 -13.033 9.751 1.00 0.00 H new ATOM 0 HA ASP A 5 5.478 -11.378 11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.741 -13.413 11.375 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.318 -12.698 9.883 1.00 0.00 H new ATOM 77 N TYR A 6 6.464 -10.123 9.011 1.00 0.00 N ATOM 78 CA TYR A 6 6.881 -8.890 8.353 1.00 0.00 C ATOM 79 C TYR A 6 5.724 -7.898 8.344 1.00 0.00 C ATOM 80 O TYR A 6 5.928 -6.700 8.523 1.00 0.00 O ATOM 81 CB TYR A 6 7.407 -9.155 6.921 1.00 0.00 C ATOM 82 CG TYR A 6 6.436 -8.813 5.793 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.402 -7.533 5.237 1.00 0.00 C ATOM 84 CD2 TYR A 6 5.565 -9.766 5.279 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.529 -7.220 4.213 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.692 -9.460 4.251 1.00 0.00 C ATOM 87 CZ TYR A 6 4.677 -8.187 3.722 1.00 0.00 C ATOM 88 OH TYR A 6 3.808 -7.881 2.697 1.00 0.00 O ATOM 0 H TYR A 6 6.368 -10.925 8.389 1.00 0.00 H new ATOM 0 HA TYR A 6 7.709 -8.461 8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.322 -8.581 6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.675 -10.208 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.071 -6.773 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.570 -10.765 5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.514 -6.223 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.024 -10.216 3.864 1.00 0.00 H new ATOM 0 HH TYR A 6 4.310 -7.504 1.944 1.00 0.00 H new ATOM 98 N ASN A 7 4.505 -8.415 8.150 1.00 0.00 N ATOM 99 CA ASN A 7 3.309 -7.571 8.186 1.00 0.00 C ATOM 100 C ASN A 7 3.352 -6.706 9.441 1.00 0.00 C ATOM 101 O ASN A 7 3.593 -5.499 9.375 1.00 0.00 O ATOM 102 CB ASN A 7 2.013 -8.408 8.184 1.00 0.00 C ATOM 103 CG ASN A 7 1.781 -9.225 6.915 1.00 0.00 C ATOM 104 OD1 ASN A 7 1.201 -10.306 6.971 1.00 0.00 O ATOM 105 ND2 ASN A 7 2.200 -8.719 5.768 1.00 0.00 N ATOM 0 H ASN A 7 4.323 -9.402 7.969 1.00 0.00 H new ATOM 0 HA ASN A 7 3.303 -6.951 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.034 -9.086 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.165 -7.739 8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.044 -9.229 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.679 -7.819 5.752 1.00 0.00 H new ATOM 112 N ASP A 8 3.193 -7.360 10.587 1.00 0.00 N ATOM 113 CA ASP A 8 3.164 -6.678 11.877 1.00 0.00 C ATOM 114 C ASP A 8 4.419 -5.831 12.078 1.00 0.00 C ATOM 115 O ASP A 8 4.359 -4.595 12.064 1.00 0.00 O ATOM 116 CB ASP A 8 3.042 -7.707 13.011 1.00 0.00 C ATOM 117 CG ASP A 8 3.025 -7.069 14.394 1.00 0.00 C ATOM 118 OD1 ASP A 8 4.111 -6.855 14.975 1.00 0.00 O ATOM 119 OD2 ASP A 8 1.922 -6.791 14.913 1.00 0.00 O ATOM 0 H ASP A 8 3.081 -8.372 10.649 1.00 0.00 H new ATOM 0 HA ASP A 8 2.298 -6.016 11.893 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.129 -8.286 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.875 -8.407 12.950 1.00 0.00 H new ATOM 124 N ALA A 9 5.559 -6.503 12.225 1.00 0.00 N ATOM 125 CA ALA A 9 6.802 -5.842 12.603 1.00 0.00 C ATOM 126 C ALA A 9 7.223 -4.803 11.571 1.00 0.00 C ATOM 127 O ALA A 9 7.314 -3.611 11.875 1.00 0.00 O ATOM 128 CB ALA A 9 7.906 -6.874 12.806 1.00 0.00 C ATOM 0 H ALA A 9 5.645 -7.510 12.087 1.00 0.00 H new ATOM 0 HA ALA A 9 6.629 -5.318 13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.829 -6.368 13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.616 -7.567 13.596 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.063 -7.426 11.879 1.00 0.00 H new ATOM 134 N ASP A 10 7.439 -5.258 10.344 1.00 0.00 N ATOM 135 CA ASP A 10 8.044 -4.425 9.310 1.00 0.00 C ATOM 136 C ASP A 10 7.111 -3.275 8.926 1.00 0.00 C ATOM 137 O ASP A 10 7.523 -2.109 8.916 1.00 0.00 O ATOM 138 CB ASP A 10 8.393 -5.293 8.088 1.00 0.00 C ATOM 139 CG ASP A 10 9.299 -4.604 7.080 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.480 -4.361 7.407 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.855 -4.357 5.937 1.00 0.00 O ATOM 0 H ASP A 10 7.204 -6.202 10.039 1.00 0.00 H new ATOM 0 HA ASP A 10 8.962 -3.984 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.877 -6.208 8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.470 -5.589 7.589 1.00 0.00 H new ATOM 146 N MET A 11 5.836 -3.587 8.674 1.00 0.00 N ATOM 147 CA MET A 11 4.906 -2.572 8.186 1.00 0.00 C ATOM 148 C MET A 11 4.590 -1.550 9.277 1.00 0.00 C ATOM 149 O MET A 11 4.645 -0.347 9.032 1.00 0.00 O ATOM 150 CB MET A 11 3.613 -3.211 7.662 1.00 0.00 C ATOM 151 CG MET A 11 3.806 -4.168 6.482 1.00 0.00 C ATOM 152 SD MET A 11 3.904 -3.337 4.876 1.00 0.00 S ATOM 153 CE MET A 11 5.538 -2.600 4.921 1.00 0.00 C ATOM 0 H MET A 11 5.433 -4.516 8.798 1.00 0.00 H new ATOM 0 HA MET A 11 5.390 -2.054 7.358 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.135 -3.753 8.478 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.928 -2.418 7.361 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.718 -4.744 6.639 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.979 -4.878 6.463 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.886 -2.425 3.903 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.495 -1.653 5.458 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.227 -3.274 5.429 1.00 0.00 H new ATOM 163 N ALA A 12 4.280 -2.018 10.490 1.00 0.00 N ATOM 164 CA ALA A 12 3.929 -1.106 11.579 1.00 0.00 C ATOM 165 C ALA A 12 5.109 -0.204 11.931 1.00 0.00 C ATOM 166 O ALA A 12 4.965 1.017 12.039 1.00 0.00 O ATOM 167 CB ALA A 12 3.459 -1.877 12.806 1.00 0.00 C ATOM 0 H ALA A 12 4.265 -3.007 10.739 1.00 0.00 H new ATOM 0 HA ALA A 12 3.106 -0.477 11.238 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.204 -1.176 13.601 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.581 -2.469 12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.255 -2.538 13.147 1.00 0.00 H new ATOM 173 N ARG A 13 6.285 -0.810 12.080 1.00 0.00 N ATOM 174 CA ARG A 13 7.485 -0.063 12.449 1.00 0.00 C ATOM 175 C ARG A 13 7.933 0.859 11.313 1.00 0.00 C ATOM 176 O ARG A 13 8.685 1.807 11.543 1.00 0.00 O ATOM 177 CB ARG A 13 8.605 -1.018 12.882 1.00 0.00 C ATOM 178 CG ARG A 13 8.268 -1.761 14.174 1.00 0.00 C ATOM 179 CD ARG A 13 9.345 -2.759 14.582 1.00 0.00 C ATOM 180 NE ARG A 13 8.993 -3.440 15.835 1.00 0.00 N ATOM 181 CZ ARG A 13 9.257 -4.722 16.100 1.00 0.00 C ATOM 182 NH1 ARG A 13 9.920 -5.470 15.220 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.868 -5.254 17.252 1.00 0.00 N ATOM 0 H ARG A 13 6.432 -1.811 11.952 1.00 0.00 H new ATOM 0 HA ARG A 13 7.244 0.572 13.301 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.790 -1.741 12.088 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.527 -0.454 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.127 -1.038 14.977 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.321 -2.287 14.049 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.480 -3.496 13.790 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.297 -2.242 14.702 1.00 0.00 H new ATOM 0 HE ARG A 13 8.514 -2.896 16.552 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.230 -5.064 14.337 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.118 -6.448 15.429 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.368 -4.684 17.934 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.069 -6.233 17.455 1.00 0.00 H new ATOM 197 N LEU A 14 7.474 0.576 10.091 1.00 0.00 N ATOM 198 CA LEU A 14 7.647 1.509 8.979 1.00 0.00 C ATOM 199 C LEU A 14 6.722 2.721 9.157 1.00 0.00 C ATOM 200 O LEU A 14 7.175 3.867 9.144 1.00 0.00 O ATOM 201 CB LEU A 14 7.355 0.814 7.638 1.00 0.00 C ATOM 202 CG LEU A 14 7.389 1.725 6.394 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.761 2.376 6.229 1.00 0.00 C ATOM 204 CD2 LEU A 14 7.007 0.940 5.138 1.00 0.00 C ATOM 0 H LEU A 14 6.984 -0.285 9.849 1.00 0.00 H new ATOM 0 HA LEU A 14 8.682 1.850 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.080 0.012 7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.372 0.347 7.698 1.00 0.00 H new ATOM 0 HG LEU A 14 6.656 2.518 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.757 3.013 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.986 2.978 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.520 1.602 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.037 1.602 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.711 0.120 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.000 0.538 5.252 1.00 0.00 H new ATOM 216 N LEU A 15 5.430 2.453 9.363 1.00 0.00 N ATOM 217 CA LEU A 15 4.421 3.515 9.482 1.00 0.00 C ATOM 218 C LEU A 15 4.579 4.306 10.782 1.00 0.00 C ATOM 219 O LEU A 15 4.006 5.390 10.925 1.00 0.00 O ATOM 220 CB LEU A 15 2.998 2.934 9.384 1.00 0.00 C ATOM 221 CG LEU A 15 2.472 2.682 7.957 1.00 0.00 C ATOM 222 CD1 LEU A 15 2.452 3.981 7.154 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.298 1.614 7.241 1.00 0.00 C ATOM 0 H LEU A 15 5.055 1.509 9.451 1.00 0.00 H new ATOM 0 HA LEU A 15 4.579 4.202 8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.972 1.992 9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.313 3.615 9.888 1.00 0.00 H new ATOM 0 HG LEU A 15 1.450 2.311 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.078 3.782 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.802 4.704 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.462 4.386 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.902 1.460 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.336 1.940 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.246 0.679 7.799 1.00 0.00 H new ATOM 235 N GLU A 16 5.347 3.756 11.717 1.00 0.00 N ATOM 236 CA GLU A 16 5.642 4.424 12.988 1.00 0.00 C ATOM 237 C GLU A 16 6.087 5.876 12.758 1.00 0.00 C ATOM 238 O GLU A 16 5.491 6.833 13.291 1.00 0.00 O ATOM 239 CB GLU A 16 6.746 3.646 13.724 1.00 0.00 C ATOM 240 CG GLU A 16 7.097 4.193 15.109 1.00 0.00 C ATOM 241 CD GLU A 16 6.090 3.823 16.192 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.898 3.626 15.878 1.00 0.00 O ATOM 243 OE2 GLU A 16 6.490 3.757 17.377 1.00 0.00 O ATOM 0 H GLU A 16 5.783 2.839 11.620 1.00 0.00 H new ATOM 0 HA GLU A 16 4.736 4.442 13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.433 2.607 13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.646 3.648 13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.080 3.820 15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.172 5.279 15.052 1.00 0.00 H new ATOM 250 N GLN A 17 7.126 6.043 11.938 1.00 0.00 N ATOM 251 CA GLN A 17 7.666 7.370 11.674 1.00 0.00 C ATOM 252 C GLN A 17 6.654 8.217 10.923 1.00 0.00 C ATOM 253 O GLN A 17 6.641 9.428 11.072 1.00 0.00 O ATOM 254 CB GLN A 17 8.976 7.321 10.884 1.00 0.00 C ATOM 255 CG GLN A 17 8.837 6.826 9.447 1.00 0.00 C ATOM 256 CD GLN A 17 9.914 7.392 8.538 1.00 0.00 C ATOM 257 OE1 GLN A 17 10.997 6.823 8.403 1.00 0.00 O ATOM 258 NE2 GLN A 17 9.633 8.531 7.922 1.00 0.00 N ATOM 0 H GLN A 17 7.603 5.283 11.452 1.00 0.00 H new ATOM 0 HA GLN A 17 7.878 7.820 12.644 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.413 8.320 10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.678 6.674 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.888 5.737 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.856 7.104 9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.724 8.974 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.325 8.965 7.312 1.00 0.00 H new ATOM 267 N TRP A 18 5.805 7.573 10.124 1.00 0.00 N ATOM 268 CA TRP A 18 4.793 8.289 9.354 1.00 0.00 C ATOM 269 C TRP A 18 3.803 8.969 10.293 1.00 0.00 C ATOM 270 O TRP A 18 3.404 10.123 10.063 1.00 0.00 O ATOM 271 CB TRP A 18 4.064 7.337 8.397 1.00 0.00 C ATOM 272 CG TRP A 18 4.931 6.854 7.271 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.986 5.993 7.359 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.818 7.208 5.888 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.535 5.789 6.119 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.838 6.525 5.200 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.955 8.036 5.169 1.00 0.00 C ATOM 278 CZ2 TRP A 18 6.017 6.644 3.825 1.00 0.00 C ATOM 279 CZ3 TRP A 18 4.131 8.154 3.804 1.00 0.00 C ATOM 280 CH2 TRP A 18 5.157 7.461 3.147 1.00 0.00 C ATOM 0 H TRP A 18 5.798 6.561 9.994 1.00 0.00 H new ATOM 0 HA TRP A 18 5.289 9.054 8.756 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.697 6.478 8.959 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.192 7.844 7.984 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.338 5.538 8.273 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.333 5.187 5.915 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.164 8.574 5.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.805 6.111 3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.469 8.789 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.271 7.576 2.079 1.00 0.00 H new ATOM 291 N GLU A 19 3.411 8.262 11.352 1.00 0.00 N ATOM 292 CA GLU A 19 2.606 8.867 12.406 1.00 0.00 C ATOM 293 C GLU A 19 3.359 10.057 12.975 1.00 0.00 C ATOM 294 O GLU A 19 2.815 11.158 13.107 1.00 0.00 O ATOM 295 CB GLU A 19 2.292 7.864 13.527 1.00 0.00 C ATOM 296 CG GLU A 19 1.249 6.816 13.160 1.00 0.00 C ATOM 297 CD GLU A 19 0.765 6.038 14.378 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.163 6.662 15.285 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.991 4.813 14.444 1.00 0.00 O ATOM 0 H GLU A 19 3.637 7.278 11.500 1.00 0.00 H new ATOM 0 HA GLU A 19 1.656 9.187 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.214 7.357 13.813 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.945 8.413 14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.400 7.303 12.680 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.672 6.123 12.432 1.00 0.00 H new ATOM 306 N LYS A 20 4.635 9.831 13.277 1.00 0.00 N ATOM 307 CA LYS A 20 5.497 10.897 13.772 1.00 0.00 C ATOM 308 C LYS A 20 5.547 12.069 12.783 1.00 0.00 C ATOM 309 O LYS A 20 5.495 13.228 13.188 1.00 0.00 O ATOM 310 CB LYS A 20 6.912 10.365 14.037 1.00 0.00 C ATOM 311 CG LYS A 20 7.904 11.445 14.457 1.00 0.00 C ATOM 312 CD LYS A 20 9.315 10.890 14.615 1.00 0.00 C ATOM 313 CE LYS A 20 10.334 12.002 14.836 1.00 0.00 C ATOM 314 NZ LYS A 20 11.719 11.475 14.920 1.00 0.00 N ATOM 0 H LYS A 20 5.092 8.923 13.188 1.00 0.00 H new ATOM 0 HA LYS A 20 5.077 11.260 14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.865 9.605 14.816 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.281 9.875 13.136 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.909 12.243 13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.581 11.889 15.399 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.342 10.198 15.457 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.584 10.320 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.268 12.722 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.093 12.538 15.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.382 12.262 15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.789 10.807 15.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.959 10.986 14.034 1.00 0.00 H new ATOM 328 N ASP A 21 5.614 11.755 11.489 1.00 0.00 N ATOM 329 CA ASP A 21 5.761 12.771 10.445 1.00 0.00 C ATOM 330 C ASP A 21 4.567 13.716 10.433 1.00 0.00 C ATOM 331 O ASP A 21 4.730 14.940 10.481 1.00 0.00 O ATOM 332 CB ASP A 21 5.935 12.131 9.051 1.00 0.00 C ATOM 333 CG ASP A 21 7.305 11.486 8.848 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.328 12.164 9.083 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.366 10.299 8.451 1.00 0.00 O ATOM 0 H ASP A 21 5.568 10.799 11.137 1.00 0.00 H new ATOM 0 HA ASP A 21 6.661 13.340 10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.161 11.377 8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.784 12.894 8.287 1.00 0.00 H new ATOM 340 N ASP A 22 3.354 13.160 10.384 1.00 0.00 N ATOM 341 CA ASP A 22 2.163 14.003 10.288 1.00 0.00 C ATOM 342 C ASP A 22 1.877 14.691 11.624 1.00 0.00 C ATOM 343 O ASP A 22 1.267 15.761 11.650 1.00 0.00 O ATOM 344 CB ASP A 22 0.931 13.229 9.779 1.00 0.00 C ATOM 345 CG ASP A 22 0.291 12.320 10.811 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.616 12.784 11.535 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.658 11.131 10.863 1.00 0.00 O ATOM 0 H ASP A 22 3.173 12.156 10.408 1.00 0.00 H new ATOM 0 HA ASP A 22 2.373 14.771 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.186 13.945 9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.224 12.630 8.917 1.00 0.00 H new ATOM 352 N ASP A 23 2.330 14.091 12.728 1.00 0.00 N ATOM 353 CA ASP A 23 2.260 14.757 14.034 1.00 0.00 C ATOM 354 C ASP A 23 3.201 15.963 14.062 1.00 0.00 C ATOM 355 O ASP A 23 2.857 17.019 14.597 1.00 0.00 O ATOM 356 CB ASP A 23 2.588 13.788 15.184 1.00 0.00 C ATOM 357 CG ASP A 23 1.348 13.119 15.764 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.881 12.111 15.194 1.00 0.00 O ATOM 359 OD2 ASP A 23 0.824 13.600 16.793 1.00 0.00 O ATOM 0 H ASP A 23 2.744 13.159 12.746 1.00 0.00 H new ATOM 0 HA ASP A 23 1.236 15.102 14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.274 13.021 14.823 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.105 14.331 15.975 1.00 0.00 H new ATOM 364 N ILE A 24 4.383 15.810 13.466 1.00 0.00 N ATOM 365 CA ILE A 24 5.327 16.922 13.335 1.00 0.00 C ATOM 366 C ILE A 24 4.708 18.026 12.482 1.00 0.00 C ATOM 367 O ILE A 24 4.894 19.214 12.748 1.00 0.00 O ATOM 368 CB ILE A 24 6.678 16.471 12.715 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.414 15.509 13.665 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.561 17.678 12.386 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.715 14.970 13.108 1.00 0.00 C ATOM 0 H ILE A 24 4.710 14.930 13.067 1.00 0.00 H new ATOM 0 HA ILE A 24 5.535 17.298 14.337 1.00 0.00 H new ATOM 0 HB ILE A 24 6.463 15.945 11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.618 16.026 14.603 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.756 14.672 13.899 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.501 17.334 11.953 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.047 18.321 11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.765 18.239 13.298 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.173 14.300 13.836 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.517 14.423 12.186 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.393 15.798 12.900 1.00 0.00 H new ATOM 383 N GLU A 25 3.967 17.621 11.453 1.00 0.00 N ATOM 384 CA GLU A 25 3.227 18.560 10.615 1.00 0.00 C ATOM 385 C GLU A 25 2.120 19.250 11.414 1.00 0.00 C ATOM 386 O GLU A 25 1.806 20.422 11.180 1.00 0.00 O ATOM 387 CB GLU A 25 2.631 17.835 9.406 1.00 0.00 C ATOM 388 CG GLU A 25 3.678 17.323 8.428 1.00 0.00 C ATOM 389 CD GLU A 25 4.518 18.448 7.848 1.00 0.00 C ATOM 390 OE1 GLU A 25 3.959 19.289 7.108 1.00 0.00 O ATOM 391 OE2 GLU A 25 5.729 18.513 8.137 1.00 0.00 O ATOM 0 H GLU A 25 3.863 16.644 11.179 1.00 0.00 H new ATOM 0 HA GLU A 25 3.922 19.323 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.031 16.995 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.957 18.513 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.328 16.610 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.185 16.785 7.618 1.00 0.00 H new ATOM 398 N GLU A 26 1.524 18.507 12.342 1.00 0.00 N ATOM 399 CA GLU A 26 0.533 19.063 13.264 1.00 0.00 C ATOM 400 C GLU A 26 1.227 19.979 14.276 1.00 0.00 C ATOM 401 O GLU A 26 0.602 20.844 14.892 1.00 0.00 O ATOM 402 CB GLU A 26 -0.220 17.925 13.979 1.00 0.00 C ATOM 403 CG GLU A 26 -1.365 18.391 14.880 1.00 0.00 C ATOM 404 CD GLU A 26 -2.458 19.132 14.120 1.00 0.00 C ATOM 405 OE1 GLU A 26 -3.308 18.465 13.485 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.470 20.384 14.145 1.00 0.00 O ATOM 0 H GLU A 26 1.710 17.513 12.477 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.193 19.652 12.704 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.619 17.243 13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.491 17.357 14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.801 17.526 15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.966 19.042 15.658 1.00 0.00 H new ATOM 413 N GLY A 27 2.534 19.785 14.423 1.00 0.00 N ATOM 414 CA GLY A 27 3.334 20.630 15.290 1.00 0.00 C ATOM 415 C GLY A 27 3.430 20.096 16.704 1.00 0.00 C ATOM 416 O GLY A 27 3.472 20.867 17.668 1.00 0.00 O ATOM 0 H GLY A 27 3.058 19.048 13.951 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.337 20.724 14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.903 21.631 15.313 1.00 0.00 H new ATOM 420 N ASP A 28 3.470 18.774 16.834 1.00 0.00 N ATOM 421 CA ASP A 28 3.636 18.132 18.137 1.00 0.00 C ATOM 422 C ASP A 28 4.493 16.880 18.002 1.00 0.00 C ATOM 423 O ASP A 28 4.276 16.066 17.105 1.00 0.00 O ATOM 424 CB ASP A 28 2.274 17.775 18.747 1.00 0.00 C ATOM 425 CG ASP A 28 2.399 17.204 20.154 1.00 0.00 C ATOM 426 OD1 ASP A 28 2.883 17.927 21.053 1.00 0.00 O ATOM 427 OD2 ASP A 28 1.996 16.043 20.378 1.00 0.00 O ATOM 0 H ASP A 28 3.390 18.124 16.052 1.00 0.00 H new ATOM 0 HA ASP A 28 4.137 18.835 18.802 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.646 18.666 18.774 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.771 17.050 18.107 1.00 0.00 H new ATOM 432 N LEU A 29 5.482 16.747 18.881 1.00 0.00 N ATOM 433 CA LEU A 29 6.374 15.592 18.877 1.00 0.00 C ATOM 434 C LEU A 29 5.749 14.432 19.656 1.00 0.00 C ATOM 435 O LEU A 29 5.612 14.504 20.884 1.00 0.00 O ATOM 436 CB LEU A 29 7.746 15.959 19.475 1.00 0.00 C ATOM 437 CG LEU A 29 8.630 16.890 18.618 1.00 0.00 C ATOM 438 CD1 LEU A 29 8.880 16.286 17.240 1.00 0.00 C ATOM 439 CD2 LEU A 29 8.013 18.285 18.494 1.00 0.00 C ATOM 0 H LEU A 29 5.687 17.430 19.610 1.00 0.00 H new ATOM 0 HA LEU A 29 6.522 15.280 17.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.583 16.434 20.442 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.297 15.037 19.661 1.00 0.00 H new ATOM 0 HG LEU A 29 9.589 16.994 19.125 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.505 16.961 16.655 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.385 15.326 17.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.928 16.139 16.729 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.660 18.916 17.885 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.033 18.209 18.024 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.906 18.725 19.485 1.00 0.00 H new ATOM 451 N LEU A 62 -4.259 7.514 5.534 1.00 0.00 N ATOM 452 CA LEU A 62 -4.880 6.621 4.565 1.00 0.00 C ATOM 453 C LEU A 62 -3.813 5.715 3.955 1.00 0.00 C ATOM 454 O LEU A 62 -3.049 6.130 3.078 1.00 0.00 O ATOM 455 CB LEU A 62 -5.619 7.430 3.478 1.00 0.00 C ATOM 456 CG LEU A 62 -6.801 6.714 2.790 1.00 0.00 C ATOM 457 CD1 LEU A 62 -7.548 7.674 1.866 1.00 0.00 C ATOM 458 CD2 LEU A 62 -6.336 5.480 2.014 1.00 0.00 C ATOM 0 HA LEU A 62 -5.620 5.998 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.990 8.351 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.898 7.716 2.713 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.482 6.379 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.377 7.150 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.933 8.512 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.867 8.046 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.195 5.001 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.622 5.780 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.860 4.778 2.698 1.00 0.00 H new ATOM 470 N MET A 63 -3.749 4.485 4.450 1.00 0.00 N ATOM 471 CA MET A 63 -2.777 3.508 3.977 1.00 0.00 C ATOM 472 C MET A 63 -3.486 2.221 3.556 1.00 0.00 C ATOM 473 O MET A 63 -4.239 1.615 4.339 1.00 0.00 O ATOM 474 CB MET A 63 -1.731 3.231 5.067 1.00 0.00 C ATOM 475 CG MET A 63 -2.312 2.649 6.349 1.00 0.00 C ATOM 476 SD MET A 63 -1.122 2.606 7.702 1.00 0.00 S ATOM 477 CE MET A 63 -0.953 4.356 8.052 1.00 0.00 C ATOM 0 H MET A 63 -4.365 4.139 5.186 1.00 0.00 H new ATOM 0 HA MET A 63 -2.261 3.912 3.106 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.984 2.542 4.673 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.213 4.160 5.304 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.177 3.240 6.651 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.669 1.638 6.154 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.406 4.489 8.985 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.408 4.838 7.240 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.942 4.806 8.143 1.00 0.00 H new ATOM 487 N MET A 64 -3.245 1.815 2.311 1.00 0.00 N ATOM 488 CA MET A 64 -3.901 0.651 1.729 1.00 0.00 C ATOM 489 C MET A 64 -2.919 -0.504 1.600 1.00 0.00 C ATOM 490 O MET A 64 -1.912 -0.398 0.899 1.00 0.00 O ATOM 491 CB MET A 64 -4.471 0.984 0.340 1.00 0.00 C ATOM 492 CG MET A 64 -5.525 2.081 0.339 1.00 0.00 C ATOM 493 SD MET A 64 -6.289 2.302 -1.280 1.00 0.00 S ATOM 494 CE MET A 64 -7.564 3.502 -0.902 1.00 0.00 C ATOM 0 H MET A 64 -2.592 2.282 1.682 1.00 0.00 H new ATOM 0 HA MET A 64 -4.717 0.363 2.392 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.651 1.284 -0.313 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.905 0.080 -0.087 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.296 1.841 1.071 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.068 3.020 0.653 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.395 3.381 -1.596 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.917 3.348 0.118 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.156 4.508 -0.997 1.00 0.00 H new ATOM 504 N PHE A 65 -3.212 -1.596 2.292 1.00 0.00 N ATOM 505 CA PHE A 65 -2.441 -2.823 2.164 1.00 0.00 C ATOM 506 C PHE A 65 -3.196 -3.779 1.256 1.00 0.00 C ATOM 507 O PHE A 65 -4.377 -4.049 1.481 1.00 0.00 O ATOM 508 CB PHE A 65 -2.213 -3.467 3.539 1.00 0.00 C ATOM 509 CG PHE A 65 -1.322 -2.661 4.450 1.00 0.00 C ATOM 510 CD1 PHE A 65 -1.712 -1.406 4.899 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.096 -3.161 4.864 1.00 0.00 C ATOM 512 CE1 PHE A 65 -0.899 -0.672 5.741 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.718 -2.429 5.704 1.00 0.00 C ATOM 514 CZ PHE A 65 0.316 -1.184 6.145 1.00 0.00 C ATOM 0 H PHE A 65 -3.986 -1.656 2.954 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.465 -2.595 1.735 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.177 -3.613 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.774 -4.455 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.662 -0.999 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.225 -4.135 4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.215 0.303 6.083 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.671 -2.830 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.952 -0.612 6.805 1.00 0.00 H new ATOM 524 N VAL A 66 -2.535 -4.274 0.219 1.00 0.00 N ATOM 525 CA VAL A 66 -3.182 -5.156 -0.738 1.00 0.00 C ATOM 526 C VAL A 66 -2.587 -6.558 -0.652 1.00 0.00 C ATOM 527 O VAL A 66 -1.491 -6.813 -1.160 1.00 0.00 O ATOM 528 CB VAL A 66 -3.053 -4.624 -2.186 1.00 0.00 C ATOM 529 CG1 VAL A 66 -3.878 -5.479 -3.147 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.468 -3.154 -2.264 1.00 0.00 C ATOM 0 H VAL A 66 -1.554 -4.080 0.020 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.241 -5.192 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.007 -4.692 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.775 -5.090 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.521 -6.509 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.927 -5.449 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.369 -2.802 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.505 -3.051 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.826 -2.560 -1.613 1.00 0.00 H new ATOM 540 N THR A 67 -3.302 -7.448 0.030 1.00 0.00 N ATOM 541 CA THR A 67 -2.911 -8.845 0.126 1.00 0.00 C ATOM 542 C THR A 67 -3.193 -9.551 -1.198 1.00 0.00 C ATOM 543 O THR A 67 -4.333 -9.923 -1.486 1.00 0.00 O ATOM 544 CB THR A 67 -3.669 -9.562 1.269 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.500 -8.838 2.496 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.173 -10.995 1.449 1.00 0.00 C ATOM 0 H THR A 67 -4.163 -7.220 0.528 1.00 0.00 H new ATOM 0 HA THR A 67 -1.844 -8.885 0.346 1.00 0.00 H new ATOM 0 HB THR A 67 -4.726 -9.595 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.983 -9.296 3.215 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.725 -11.472 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.329 -11.553 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.110 -10.984 1.691 1.00 0.00 H new ATOM 554 N VAL A 68 -2.158 -9.706 -2.013 1.00 0.00 N ATOM 555 CA VAL A 68 -2.315 -10.281 -3.346 1.00 0.00 C ATOM 556 C VAL A 68 -1.992 -11.769 -3.330 1.00 0.00 C ATOM 557 O VAL A 68 -2.815 -12.605 -3.708 1.00 0.00 O ATOM 558 CB VAL A 68 -1.404 -9.576 -4.384 1.00 0.00 C ATOM 559 CG1 VAL A 68 -1.589 -10.185 -5.775 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.674 -8.071 -4.410 1.00 0.00 C ATOM 0 H VAL A 68 -1.201 -9.443 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.355 -10.133 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.368 -9.730 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.939 -9.674 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.332 -11.244 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.627 -10.072 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.024 -7.597 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.715 -7.893 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.476 -7.649 -3.425 1.00 0.00 H new ATOM 570 N SER A 69 -0.792 -12.089 -2.868 1.00 0.00 N ATOM 571 CA SER A 69 -0.280 -13.447 -2.944 1.00 0.00 C ATOM 572 C SER A 69 -0.704 -14.274 -1.730 1.00 0.00 C ATOM 573 O SER A 69 -1.444 -15.254 -1.858 1.00 0.00 O ATOM 574 CB SER A 69 1.251 -13.412 -3.051 1.00 0.00 C ATOM 575 OG SER A 69 1.671 -12.493 -4.047 1.00 0.00 O ATOM 0 H SER A 69 -0.153 -11.422 -2.435 1.00 0.00 H new ATOM 0 HA SER A 69 -0.700 -13.922 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.680 -13.132 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.625 -14.408 -3.289 1.00 0.00 H new ATOM 0 HG SER A 69 2.098 -11.721 -3.621 1.00 0.00 H new ATOM 581 N GLY A 70 -0.244 -13.860 -0.555 1.00 0.00 N ATOM 582 CA GLY A 70 -0.375 -14.679 0.642 1.00 0.00 C ATOM 583 C GLY A 70 0.725 -15.723 0.713 1.00 0.00 C ATOM 584 O GLY A 70 0.915 -16.383 1.734 1.00 0.00 O ATOM 0 H GLY A 70 0.222 -12.965 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.336 -14.044 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.348 -15.170 0.645 1.00 0.00 H new ATOM 588 N ASN A 71 1.454 -15.858 -0.392 1.00 0.00 N ATOM 589 CA ASN A 71 2.566 -16.794 -0.513 1.00 0.00 C ATOM 590 C ASN A 71 3.814 -16.031 -0.984 1.00 0.00 C ATOM 591 O ASN A 71 3.719 -15.174 -1.862 1.00 0.00 O ATOM 592 CB ASN A 71 2.181 -17.926 -1.488 1.00 0.00 C ATOM 593 CG ASN A 71 3.317 -18.893 -1.782 1.00 0.00 C ATOM 594 OD1 ASN A 71 3.972 -18.703 -2.912 1.00 0.00 O flip ATOM 595 ND2 ASN A 71 3.579 -19.825 -1.018 1.00 0.00 N flip ATOM 0 H ASN A 71 1.286 -15.313 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 71 2.791 -17.250 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.341 -18.482 -1.072 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.839 -17.486 -2.425 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.051 -19.939 -0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.324 -20.481 -1.251 1.00 0.00 H new ATOM 602 N PRO A 72 4.993 -16.325 -0.394 1.00 0.00 N ATOM 603 CA PRO A 72 6.238 -15.549 -0.604 1.00 0.00 C ATOM 604 C PRO A 72 6.681 -15.401 -2.073 1.00 0.00 C ATOM 605 O PRO A 72 7.513 -14.544 -2.371 1.00 0.00 O ATOM 606 CB PRO A 72 7.293 -16.328 0.207 1.00 0.00 C ATOM 607 CG PRO A 72 6.695 -17.676 0.426 1.00 0.00 C ATOM 608 CD PRO A 72 5.218 -17.439 0.547 1.00 0.00 C ATOM 0 HA PRO A 72 6.092 -14.516 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.235 -16.398 -0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.507 -15.833 1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.919 -18.345 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.094 -18.142 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.642 -18.323 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.932 -17.174 1.565 1.00 0.00 H new ATOM 616 N THR A 73 6.156 -16.234 -2.975 1.00 0.00 N ATOM 617 CA THR A 73 6.578 -16.229 -4.385 1.00 0.00 C ATOM 618 C THR A 73 6.573 -14.818 -5.009 1.00 0.00 C ATOM 619 O THR A 73 5.522 -14.292 -5.383 1.00 0.00 O ATOM 620 CB THR A 73 5.698 -17.172 -5.235 1.00 0.00 C ATOM 621 OG1 THR A 73 4.319 -16.990 -4.886 1.00 0.00 O ATOM 622 CG2 THR A 73 6.098 -18.632 -5.040 1.00 0.00 C ATOM 0 H THR A 73 5.436 -16.923 -2.757 1.00 0.00 H new ATOM 0 HA THR A 73 7.607 -16.589 -4.389 1.00 0.00 H new ATOM 0 HB THR A 73 5.846 -16.922 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.094 -17.569 -4.128 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.459 -19.269 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.138 -18.767 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.983 -18.904 -3.991 1.00 0.00 H new ATOM 630 N GLU A 74 7.774 -14.231 -5.079 1.00 0.00 N ATOM 631 CA GLU A 74 8.041 -12.921 -5.713 1.00 0.00 C ATOM 632 C GLU A 74 7.120 -12.626 -6.906 1.00 0.00 C ATOM 633 O GLU A 74 6.577 -11.526 -7.038 1.00 0.00 O ATOM 634 CB GLU A 74 9.487 -12.893 -6.238 1.00 0.00 C ATOM 635 CG GLU A 74 10.515 -13.541 -5.318 1.00 0.00 C ATOM 636 CD GLU A 74 11.851 -13.753 -6.016 1.00 0.00 C ATOM 637 OE1 GLU A 74 11.909 -14.579 -6.956 1.00 0.00 O ATOM 638 OE2 GLU A 74 12.845 -13.096 -5.636 1.00 0.00 O ATOM 0 H GLU A 74 8.613 -14.660 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 74 7.863 -12.169 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.517 -13.396 -7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.776 -11.856 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.661 -12.914 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.134 -14.500 -4.966 1.00 0.00 H new ATOM 645 N LYS A 75 6.959 -13.636 -7.749 1.00 0.00 N ATOM 646 CA LYS A 75 6.371 -13.484 -9.080 1.00 0.00 C ATOM 647 C LYS A 75 5.025 -12.754 -9.042 1.00 0.00 C ATOM 648 O LYS A 75 4.808 -11.802 -9.797 1.00 0.00 O ATOM 649 CB LYS A 75 6.210 -14.863 -9.753 1.00 0.00 C ATOM 650 CG LYS A 75 7.527 -15.631 -9.956 1.00 0.00 C ATOM 651 CD LYS A 75 8.056 -16.253 -8.658 1.00 0.00 C ATOM 652 CE LYS A 75 9.450 -16.851 -8.827 1.00 0.00 C ATOM 653 NZ LYS A 75 10.480 -15.810 -9.094 1.00 0.00 N ATOM 0 H LYS A 75 7.234 -14.594 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 75 7.055 -12.871 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.538 -15.472 -9.148 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.731 -14.726 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.374 -16.418 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.279 -14.954 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.082 -15.492 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.368 -17.030 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.718 -17.403 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.439 -17.568 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.077 -16.108 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.012 -14.911 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.072 -15.682 -8.248 1.00 0.00 H new ATOM 667 N GLU A 76 4.144 -13.185 -8.148 1.00 0.00 N ATOM 668 CA GLU A 76 2.781 -12.661 -8.090 1.00 0.00 C ATOM 669 C GLU A 76 2.779 -11.148 -7.862 1.00 0.00 C ATOM 670 O GLU A 76 2.228 -10.385 -8.670 1.00 0.00 O ATOM 671 CB GLU A 76 1.988 -13.361 -6.977 1.00 0.00 C ATOM 672 CG GLU A 76 2.083 -14.884 -7.013 1.00 0.00 C ATOM 673 CD GLU A 76 1.777 -15.460 -8.386 1.00 0.00 C ATOM 674 OE1 GLU A 76 0.590 -15.506 -8.768 1.00 0.00 O ATOM 675 OE2 GLU A 76 2.727 -15.854 -9.093 1.00 0.00 O ATOM 0 H GLU A 76 4.348 -13.899 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 76 2.304 -12.862 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.348 -13.007 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.940 -13.070 -7.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.085 -15.188 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.389 -15.304 -6.285 1.00 0.00 H new ATOM 682 N THR A 77 3.421 -10.720 -6.774 1.00 0.00 N ATOM 683 CA THR A 77 3.437 -9.311 -6.398 1.00 0.00 C ATOM 684 C THR A 77 4.170 -8.484 -7.450 1.00 0.00 C ATOM 685 O THR A 77 3.770 -7.358 -7.751 1.00 0.00 O ATOM 686 CB THR A 77 4.090 -9.080 -5.011 1.00 0.00 C ATOM 687 OG1 THR A 77 3.890 -7.723 -4.592 1.00 0.00 O ATOM 688 CG2 THR A 77 5.584 -9.386 -5.036 1.00 0.00 C ATOM 0 H THR A 77 3.936 -11.331 -6.140 1.00 0.00 H new ATOM 0 HA THR A 77 2.397 -8.990 -6.337 1.00 0.00 H new ATOM 0 HB THR A 77 3.613 -9.760 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.305 -7.587 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.007 -9.213 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.737 -10.427 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.076 -8.737 -5.760 1.00 0.00 H new ATOM 696 N GLU A 78 5.237 -9.050 -8.017 1.00 0.00 N ATOM 697 CA GLU A 78 6.009 -8.359 -9.039 1.00 0.00 C ATOM 698 C GLU A 78 5.112 -7.989 -10.214 1.00 0.00 C ATOM 699 O GLU A 78 5.018 -6.821 -10.588 1.00 0.00 O ATOM 700 CB GLU A 78 7.175 -9.225 -9.533 1.00 0.00 C ATOM 701 CG GLU A 78 8.004 -8.545 -10.617 1.00 0.00 C ATOM 702 CD GLU A 78 9.084 -9.441 -11.195 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.215 -9.432 -10.667 1.00 0.00 O ATOM 704 OE2 GLU A 78 8.815 -10.134 -12.197 1.00 0.00 O ATOM 0 H GLU A 78 5.581 -9.981 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 78 6.418 -7.452 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.821 -9.471 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.783 -10.166 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.343 -8.219 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.467 -7.650 -10.203 1.00 0.00 H new ATOM 711 N GLU A 79 4.443 -8.991 -10.772 1.00 0.00 N ATOM 712 CA GLU A 79 3.579 -8.786 -11.926 1.00 0.00 C ATOM 713 C GLU A 79 2.483 -7.775 -11.608 1.00 0.00 C ATOM 714 O GLU A 79 2.345 -6.761 -12.292 1.00 0.00 O ATOM 715 CB GLU A 79 2.943 -10.107 -12.374 1.00 0.00 C ATOM 716 CG GLU A 79 3.948 -11.190 -12.748 1.00 0.00 C ATOM 717 CD GLU A 79 3.276 -12.445 -13.279 1.00 0.00 C ATOM 718 OE1 GLU A 79 2.425 -13.016 -12.565 1.00 0.00 O ATOM 719 OE2 GLU A 79 3.586 -12.861 -14.418 1.00 0.00 O ATOM 0 H GLU A 79 4.483 -9.955 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 79 4.197 -8.398 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.305 -10.480 -11.573 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.298 -9.914 -13.231 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.633 -10.801 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.547 -11.444 -11.873 1.00 0.00 H new ATOM 726 N ILE A 80 1.720 -8.043 -10.551 1.00 0.00 N ATOM 727 CA ILE A 80 0.547 -7.235 -10.239 1.00 0.00 C ATOM 728 C ILE A 80 0.933 -5.783 -9.916 1.00 0.00 C ATOM 729 O ILE A 80 0.342 -4.841 -10.455 1.00 0.00 O ATOM 730 CB ILE A 80 -0.281 -7.853 -9.077 1.00 0.00 C ATOM 731 CG1 ILE A 80 -1.633 -7.139 -8.936 1.00 0.00 C ATOM 732 CG2 ILE A 80 0.487 -7.809 -7.758 1.00 0.00 C ATOM 733 CD1 ILE A 80 -2.506 -7.235 -10.171 1.00 0.00 C ATOM 0 H ILE A 80 1.893 -8.809 -9.900 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.080 -7.227 -11.130 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.463 -8.899 -9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.171 -7.563 -8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.456 -6.088 -8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.121 -8.249 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.415 -8.373 -7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.717 -6.774 -7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.444 -6.707 -9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.989 -6.784 -11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.714 -8.283 -10.389 1.00 0.00 H new ATOM 745 N THR A 81 1.939 -5.608 -9.063 1.00 0.00 N ATOM 746 CA THR A 81 2.383 -4.278 -8.659 1.00 0.00 C ATOM 747 C THR A 81 3.051 -3.538 -9.825 1.00 0.00 C ATOM 748 O THR A 81 2.959 -2.311 -9.921 1.00 0.00 O ATOM 749 CB THR A 81 3.350 -4.355 -7.451 1.00 0.00 C ATOM 750 OG1 THR A 81 2.730 -5.081 -6.378 1.00 0.00 O ATOM 751 CG2 THR A 81 3.740 -2.962 -6.960 1.00 0.00 C ATOM 0 H THR A 81 2.463 -6.373 -8.638 1.00 0.00 H new ATOM 0 HA THR A 81 1.498 -3.717 -8.358 1.00 0.00 H new ATOM 0 HB THR A 81 4.254 -4.870 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.881 -6.041 -6.503 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.419 -3.052 -6.112 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.235 -2.418 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.845 -2.421 -6.653 1.00 0.00 H new ATOM 759 N SER A 82 3.708 -4.280 -10.716 1.00 0.00 N ATOM 760 CA SER A 82 4.351 -3.677 -11.883 1.00 0.00 C ATOM 761 C SER A 82 3.291 -3.148 -12.850 1.00 0.00 C ATOM 762 O SER A 82 3.432 -2.055 -13.406 1.00 0.00 O ATOM 763 CB SER A 82 5.266 -4.688 -12.588 1.00 0.00 C ATOM 764 OG SER A 82 6.050 -4.065 -13.595 1.00 0.00 O ATOM 0 H SER A 82 3.809 -5.293 -10.653 1.00 0.00 H new ATOM 0 HA SER A 82 4.968 -2.844 -11.546 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.921 -5.160 -11.856 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.662 -5.479 -13.033 1.00 0.00 H new ATOM 0 HG SER A 82 6.623 -4.734 -14.024 1.00 0.00 H new ATOM 770 N LEU A 83 2.221 -3.924 -13.033 1.00 0.00 N ATOM 771 CA LEU A 83 1.090 -3.495 -13.851 1.00 0.00 C ATOM 772 C LEU A 83 0.471 -2.236 -13.250 1.00 0.00 C ATOM 773 O LEU A 83 0.202 -1.257 -13.955 1.00 0.00 O ATOM 774 CB LEU A 83 0.034 -4.608 -13.952 1.00 0.00 C ATOM 775 CG LEU A 83 0.503 -5.906 -14.631 1.00 0.00 C ATOM 776 CD1 LEU A 83 -0.599 -6.962 -14.601 1.00 0.00 C ATOM 777 CD2 LEU A 83 0.956 -5.636 -16.065 1.00 0.00 C ATOM 0 H LEU A 83 2.116 -4.853 -12.625 1.00 0.00 H new ATOM 0 HA LEU A 83 1.450 -3.277 -14.857 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.312 -4.849 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.825 -4.221 -14.501 1.00 0.00 H new ATOM 0 HG LEU A 83 1.357 -6.290 -14.073 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.245 -7.871 -15.087 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.864 -7.182 -13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.476 -6.587 -15.128 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.283 -6.568 -16.525 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.126 -5.221 -16.637 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.783 -4.925 -16.058 1.00 0.00 H new ATOM 789 N TRP A 84 0.264 -2.268 -11.935 1.00 0.00 N ATOM 790 CA TRP A 84 -0.280 -1.125 -11.213 1.00 0.00 C ATOM 791 C TRP A 84 0.643 0.077 -11.329 1.00 0.00 C ATOM 792 O TRP A 84 0.181 1.207 -11.436 1.00 0.00 O ATOM 793 CB TRP A 84 -0.527 -1.480 -9.741 1.00 0.00 C ATOM 794 CG TRP A 84 -1.707 -2.386 -9.556 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.718 -2.589 -10.446 1.00 0.00 C ATOM 796 CD2 TRP A 84 -2.008 -3.192 -8.413 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.628 -3.469 -9.932 1.00 0.00 N ATOM 798 CE2 TRP A 84 -3.218 -3.857 -8.684 1.00 0.00 C ATOM 799 CE3 TRP A 84 -1.376 -3.417 -7.188 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.807 -4.732 -7.777 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.962 -4.286 -6.288 1.00 0.00 C ATOM 802 CH2 TRP A 84 -3.168 -4.934 -6.587 1.00 0.00 C ATOM 0 H TRP A 84 0.466 -3.077 -11.348 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.236 -0.863 -11.665 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.362 -1.960 -9.333 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.684 -0.564 -9.172 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.790 -2.122 -11.417 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.476 -3.786 -10.402 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.447 -2.921 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.736 -5.233 -8.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.482 -4.469 -5.338 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.601 -5.607 -5.862 1.00 0.00 H new ATOM 813 N GLN A 85 1.944 -0.166 -11.324 1.00 0.00 N ATOM 814 CA GLN A 85 2.921 0.895 -11.518 1.00 0.00 C ATOM 815 C GLN A 85 2.696 1.564 -12.875 1.00 0.00 C ATOM 816 O GLN A 85 2.313 2.736 -12.948 1.00 0.00 O ATOM 817 CB GLN A 85 4.342 0.317 -11.420 1.00 0.00 C ATOM 818 CG GLN A 85 5.456 1.319 -11.707 1.00 0.00 C ATOM 819 CD GLN A 85 6.836 0.696 -11.593 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.371 0.154 -12.565 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.425 0.773 -10.410 1.00 0.00 N ATOM 0 H GLN A 85 2.350 -1.092 -11.187 1.00 0.00 H new ATOM 0 HA GLN A 85 2.801 1.648 -10.739 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.486 -0.090 -10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.431 -0.515 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.326 1.726 -12.710 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.378 2.154 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.949 1.229 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.355 0.376 -10.277 1.00 0.00 H new ATOM 830 N GLY A 86 2.922 0.797 -13.942 1.00 0.00 N ATOM 831 CA GLY A 86 2.721 1.287 -15.297 1.00 0.00 C ATOM 832 C GLY A 86 1.360 1.923 -15.538 1.00 0.00 C ATOM 833 O GLY A 86 1.237 2.795 -16.397 1.00 0.00 O ATOM 0 H GLY A 86 3.245 -0.169 -13.889 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.496 2.019 -15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.850 0.458 -15.993 1.00 0.00 H new ATOM 837 N SER A 87 0.338 1.490 -14.805 1.00 0.00 N ATOM 838 CA SER A 87 -1.012 2.028 -14.988 1.00 0.00 C ATOM 839 C SER A 87 -1.253 3.280 -14.127 1.00 0.00 C ATOM 840 O SER A 87 -1.489 4.368 -14.659 1.00 0.00 O ATOM 841 CB SER A 87 -2.049 0.946 -14.678 1.00 0.00 C ATOM 842 OG SER A 87 -1.865 -0.182 -15.519 1.00 0.00 O ATOM 0 H SER A 87 0.415 0.773 -14.083 1.00 0.00 H new ATOM 0 HA SER A 87 -1.115 2.334 -16.029 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.966 0.644 -13.634 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.053 1.348 -14.815 1.00 0.00 H new ATOM 0 HG SER A 87 -1.159 -0.753 -15.151 1.00 0.00 H new ATOM 848 N LEU A 88 -1.170 3.124 -12.801 1.00 0.00 N ATOM 849 CA LEU A 88 -1.448 4.218 -11.860 1.00 0.00 C ATOM 850 C LEU A 88 -0.623 5.458 -12.194 1.00 0.00 C ATOM 851 O LEU A 88 -1.160 6.550 -12.389 1.00 0.00 O ATOM 852 CB LEU A 88 -1.128 3.780 -10.417 1.00 0.00 C ATOM 853 CG LEU A 88 -2.043 2.698 -9.814 1.00 0.00 C ATOM 854 CD1 LEU A 88 -1.436 2.134 -8.529 1.00 0.00 C ATOM 855 CD2 LEU A 88 -3.433 3.263 -9.536 1.00 0.00 C ATOM 0 H LEU A 88 -0.911 2.246 -12.352 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.507 4.462 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.102 3.414 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.170 4.660 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.135 1.889 -10.539 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.097 1.371 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.464 1.692 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.313 2.937 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.064 2.483 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.355 4.091 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.874 3.619 -10.467 1.00 0.00 H new ATOM 867 N PHE A 89 0.685 5.265 -12.291 1.00 0.00 N ATOM 868 CA PHE A 89 1.622 6.375 -12.433 1.00 0.00 C ATOM 869 C PHE A 89 1.620 6.931 -13.853 1.00 0.00 C ATOM 870 O PHE A 89 2.184 7.994 -14.115 1.00 0.00 O ATOM 871 CB PHE A 89 3.023 5.934 -12.003 1.00 0.00 C ATOM 872 CG PHE A 89 3.030 5.350 -10.610 1.00 0.00 C ATOM 873 CD1 PHE A 89 2.461 6.047 -9.552 1.00 0.00 C ATOM 874 CD2 PHE A 89 3.567 4.097 -10.363 1.00 0.00 C ATOM 875 CE1 PHE A 89 2.434 5.509 -8.282 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.537 3.553 -9.094 1.00 0.00 C ATOM 877 CZ PHE A 89 2.970 4.259 -8.053 1.00 0.00 C ATOM 0 H PHE A 89 1.125 4.345 -12.274 1.00 0.00 H new ATOM 0 HA PHE A 89 1.300 7.185 -11.778 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.403 5.194 -12.708 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.700 6.788 -12.042 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.034 7.024 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.014 3.539 -11.172 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.994 6.066 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.958 2.574 -8.916 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.946 3.834 -7.061 1.00 0.00 H new ATOM 887 N ASN A 90 0.973 6.214 -14.764 1.00 0.00 N ATOM 888 CA ASN A 90 0.756 6.713 -16.121 1.00 0.00 C ATOM 889 C ASN A 90 -0.496 7.582 -16.140 1.00 0.00 C ATOM 890 O ASN A 90 -0.582 8.565 -16.876 1.00 0.00 O ATOM 891 CB ASN A 90 0.611 5.549 -17.107 1.00 0.00 C ATOM 892 CG ASN A 90 0.448 6.000 -18.547 1.00 0.00 C ATOM 893 OD1 ASN A 90 0.971 7.039 -18.955 1.00 0.00 O ATOM 894 ND2 ASN A 90 -0.273 5.216 -19.329 1.00 0.00 N ATOM 0 H ASN A 90 0.589 5.285 -14.590 1.00 0.00 H new ATOM 0 HA ASN A 90 1.617 7.308 -16.426 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.488 4.906 -17.032 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.251 4.946 -16.822 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.413 5.463 -20.309 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.689 4.364 -18.953 1.00 0.00 H new ATOM 901 N ALA A 91 -1.463 7.214 -15.298 1.00 0.00 N ATOM 902 CA ALA A 91 -2.682 8.000 -15.118 1.00 0.00 C ATOM 903 C ALA A 91 -2.423 9.164 -14.159 1.00 0.00 C ATOM 904 O ALA A 91 -3.333 9.928 -13.826 1.00 0.00 O ATOM 905 CB ALA A 91 -3.811 7.111 -14.604 1.00 0.00 C ATOM 0 H ALA A 91 -1.423 6.370 -14.727 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.984 8.412 -16.081 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.714 7.708 -14.474 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.003 6.315 -15.323 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.524 6.675 -13.647 1.00 0.00 H new ATOM 911 N ASN A 92 -1.165 9.270 -13.718 1.00 0.00 N ATOM 912 CA ASN A 92 -0.695 10.368 -12.864 1.00 0.00 C ATOM 913 C ASN A 92 -1.198 10.223 -11.430 1.00 0.00 C ATOM 914 O ASN A 92 -1.209 11.190 -10.665 1.00 0.00 O ATOM 915 CB ASN A 92 -1.078 11.741 -13.453 1.00 0.00 C ATOM 916 CG ASN A 92 -0.311 12.058 -14.730 1.00 0.00 C ATOM 917 OD1 ASN A 92 0.832 11.632 -14.906 1.00 0.00 O ATOM 918 ND2 ASN A 92 -0.929 12.804 -15.633 1.00 0.00 N ATOM 0 H ASN A 92 -0.438 8.591 -13.945 1.00 0.00 H new ATOM 0 HA ASN A 92 0.393 10.311 -12.835 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.148 11.759 -13.661 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.884 12.518 -12.713 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.459 13.042 -16.506 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.875 13.140 -15.455 1.00 0.00 H new ATOM 925 N TYR A 93 -1.591 9.009 -11.057 1.00 0.00 N ATOM 926 CA TYR A 93 -1.924 8.712 -9.666 1.00 0.00 C ATOM 927 C TYR A 93 -0.639 8.415 -8.895 1.00 0.00 C ATOM 928 O TYR A 93 -0.356 7.263 -8.556 1.00 0.00 O ATOM 929 CB TYR A 93 -2.885 7.518 -9.557 1.00 0.00 C ATOM 930 CG TYR A 93 -4.212 7.708 -10.269 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.921 8.903 -10.164 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.758 6.690 -11.043 1.00 0.00 C ATOM 933 CE1 TYR A 93 -6.130 9.073 -10.810 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.968 6.854 -11.690 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.649 8.045 -11.572 1.00 0.00 C ATOM 936 OH TYR A 93 -7.856 8.208 -12.214 1.00 0.00 O ATOM 0 H TYR A 93 -1.687 8.218 -11.694 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.426 9.581 -9.240 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.393 6.634 -9.963 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.078 7.319 -8.503 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.519 9.709 -9.568 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.227 5.755 -11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.667 10.006 -10.720 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.378 6.052 -12.286 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.077 7.391 -12.708 1.00 0.00 H new ATOM 946 N ASP A 94 0.159 9.456 -8.662 1.00 0.00 N ATOM 947 CA ASP A 94 1.453 9.293 -7.999 1.00 0.00 C ATOM 948 C ASP A 94 1.269 9.114 -6.498 1.00 0.00 C ATOM 949 O ASP A 94 1.340 10.069 -5.723 1.00 0.00 O ATOM 950 CB ASP A 94 2.387 10.479 -8.294 1.00 0.00 C ATOM 951 CG ASP A 94 3.795 10.270 -7.734 1.00 0.00 C ATOM 952 OD1 ASP A 94 4.556 9.456 -8.307 1.00 0.00 O ATOM 953 OD2 ASP A 94 4.159 10.931 -6.741 1.00 0.00 O ATOM 0 H ASP A 94 -0.066 10.417 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 94 1.921 8.394 -8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.447 10.630 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.961 11.387 -7.868 1.00 0.00 H new ATOM 958 N VAL A 95 0.969 7.883 -6.108 1.00 0.00 N ATOM 959 CA VAL A 95 0.876 7.509 -4.704 1.00 0.00 C ATOM 960 C VAL A 95 2.256 7.094 -4.208 1.00 0.00 C ATOM 961 O VAL A 95 3.197 7.018 -5.004 1.00 0.00 O ATOM 962 CB VAL A 95 -0.125 6.336 -4.510 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.480 6.683 -5.123 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.424 5.038 -5.107 1.00 0.00 C ATOM 0 H VAL A 95 0.784 7.117 -6.755 1.00 0.00 H new ATOM 0 HA VAL A 95 0.515 8.364 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.260 6.180 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.169 5.851 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.881 7.574 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.359 6.872 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.297 4.235 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.599 5.174 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.362 4.780 -4.616 1.00 0.00 H new ATOM 974 N GLN A 96 2.397 6.800 -2.919 1.00 0.00 N ATOM 975 CA GLN A 96 3.677 6.315 -2.416 1.00 0.00 C ATOM 976 C GLN A 96 3.608 4.802 -2.283 1.00 0.00 C ATOM 977 O GLN A 96 2.772 4.265 -1.563 1.00 0.00 O ATOM 978 CB GLN A 96 4.059 6.977 -1.086 1.00 0.00 C ATOM 979 CG GLN A 96 5.427 6.552 -0.542 1.00 0.00 C ATOM 980 CD GLN A 96 6.597 6.852 -1.483 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.454 6.860 -2.705 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.777 7.092 -0.918 1.00 0.00 N ATOM 0 H GLN A 96 1.660 6.886 -2.219 1.00 0.00 H new ATOM 0 HA GLN A 96 4.461 6.584 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.053 8.059 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.296 6.741 -0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.601 7.057 0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.407 5.482 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.868 7.079 0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.591 7.289 -1.501 1.00 0.00 H new ATOM 991 N ARG A 97 4.497 4.128 -2.993 1.00 0.00 N ATOM 992 CA ARG A 97 4.366 2.698 -3.242 1.00 0.00 C ATOM 993 C ARG A 97 5.548 1.919 -2.685 1.00 0.00 C ATOM 994 O ARG A 97 6.703 2.223 -2.987 1.00 0.00 O ATOM 995 CB ARG A 97 4.212 2.431 -4.754 1.00 0.00 C ATOM 996 CG ARG A 97 5.328 3.002 -5.646 1.00 0.00 C ATOM 997 CD ARG A 97 5.290 4.531 -5.733 1.00 0.00 C ATOM 998 NE ARG A 97 6.123 5.052 -6.822 1.00 0.00 N ATOM 999 CZ ARG A 97 5.998 6.280 -7.345 1.00 0.00 C ATOM 1000 NH1 ARG A 97 5.101 7.134 -6.858 1.00 0.00 N ATOM 1001 NH2 ARG A 97 6.775 6.648 -8.355 1.00 0.00 N ATOM 0 H ARG A 97 5.325 4.551 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 97 3.471 2.352 -2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.161 1.354 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.260 2.847 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.296 2.688 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.237 2.583 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.260 4.858 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.628 4.954 -4.787 1.00 0.00 H new ATOM 0 HE ARG A 97 6.844 4.441 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.502 6.856 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.013 8.066 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.465 5.997 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.683 7.582 -8.756 1.00 0.00 H new ATOM 1015 N PHE A 98 5.246 0.921 -1.861 1.00 0.00 N ATOM 1016 CA PHE A 98 6.262 0.013 -1.343 1.00 0.00 C ATOM 1017 C PHE A 98 5.835 -1.434 -1.589 1.00 0.00 C ATOM 1018 O PHE A 98 4.830 -1.906 -1.039 1.00 0.00 O ATOM 1019 CB PHE A 98 6.505 0.247 0.155 1.00 0.00 C ATOM 1020 CG PHE A 98 6.818 1.682 0.512 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.082 2.217 0.288 1.00 0.00 C ATOM 1022 CD2 PHE A 98 5.846 2.496 1.071 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.361 3.529 0.617 1.00 0.00 C ATOM 1024 CE2 PHE A 98 6.124 3.805 1.402 1.00 0.00 C ATOM 1025 CZ PHE A 98 7.383 4.322 1.175 1.00 0.00 C ATOM 0 H PHE A 98 4.300 0.720 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 98 7.197 0.209 -1.868 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.622 -0.070 0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.330 -0.386 0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.854 1.600 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.857 2.100 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.346 3.933 0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.356 4.426 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.601 5.347 1.435 1.00 0.00 H new ATOM 1035 N ILE A 99 6.581 -2.115 -2.452 1.00 0.00 N ATOM 1036 CA ILE A 99 6.370 -3.531 -2.717 1.00 0.00 C ATOM 1037 C ILE A 99 7.395 -4.355 -1.936 1.00 0.00 C ATOM 1038 O ILE A 99 8.508 -4.612 -2.401 1.00 0.00 O ATOM 1039 CB ILE A 99 6.450 -3.846 -4.240 1.00 0.00 C ATOM 1040 CG1 ILE A 99 6.367 -5.365 -4.491 1.00 0.00 C ATOM 1041 CG2 ILE A 99 7.716 -3.252 -4.864 1.00 0.00 C ATOM 1042 CD1 ILE A 99 6.462 -5.757 -5.952 1.00 0.00 C ATOM 0 H ILE A 99 7.346 -1.702 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 99 5.367 -3.799 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 99 5.593 -3.377 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.169 -5.858 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.426 -5.738 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.743 -3.489 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.713 -2.170 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.595 -3.674 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.395 -6.841 -6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.645 -5.296 -6.506 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.414 -5.417 -6.359 1.00 0.00 H new ATOM 1054 N VAL A 100 7.023 -4.727 -0.721 1.00 0.00 N ATOM 1055 CA VAL A 100 7.896 -5.491 0.160 1.00 0.00 C ATOM 1056 C VAL A 100 7.119 -6.657 0.760 1.00 0.00 C ATOM 1057 O VAL A 100 6.057 -6.467 1.353 1.00 0.00 O ATOM 1058 CB VAL A 100 8.493 -4.591 1.278 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.396 -3.939 2.116 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.461 -5.379 2.158 1.00 0.00 C ATOM 0 H VAL A 100 6.112 -4.510 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 100 8.730 -5.880 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 100 9.054 -3.792 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.849 -3.317 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.767 -3.321 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.787 -4.713 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.864 -4.725 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.934 -6.211 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.277 -5.764 1.547 1.00 0.00 H new ATOM 1070 N GLY A 101 7.640 -7.866 0.585 1.00 0.00 N ATOM 1071 CA GLY A 101 6.917 -9.050 1.001 1.00 0.00 C ATOM 1072 C GLY A 101 5.782 -9.362 0.045 1.00 0.00 C ATOM 1073 O GLY A 101 4.735 -8.716 0.091 1.00 0.00 O ATOM 0 H GLY A 101 8.551 -8.046 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.600 -9.898 1.049 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.520 -8.903 2.006 1.00 0.00 H new ATOM 1077 N SER A 102 5.998 -10.345 -0.828 1.00 0.00 N ATOM 1078 CA SER A 102 5.047 -10.698 -1.889 1.00 0.00 C ATOM 1079 C SER A 102 3.606 -10.824 -1.385 1.00 0.00 C ATOM 1080 O SER A 102 2.656 -10.722 -2.166 1.00 0.00 O ATOM 1081 CB SER A 102 5.487 -12.003 -2.553 1.00 0.00 C ATOM 1082 OG SER A 102 6.823 -11.902 -3.016 1.00 0.00 O ATOM 0 H SER A 102 6.839 -10.922 -0.822 1.00 0.00 H new ATOM 0 HA SER A 102 5.053 -9.883 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.404 -12.825 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.824 -12.235 -3.387 1.00 0.00 H new ATOM 0 HG SER A 102 7.277 -12.762 -2.895 1.00 0.00 H new ATOM 1088 N ASP A 103 3.456 -11.058 -0.088 1.00 0.00 N ATOM 1089 CA ASP A 103 2.146 -11.149 0.547 1.00 0.00 C ATOM 1090 C ASP A 103 1.300 -9.899 0.263 1.00 0.00 C ATOM 1091 O ASP A 103 0.234 -9.987 -0.367 1.00 0.00 O ATOM 1092 CB ASP A 103 2.322 -11.344 2.059 1.00 0.00 C ATOM 1093 CG ASP A 103 1.007 -11.334 2.822 1.00 0.00 C ATOM 1094 OD1 ASP A 103 0.067 -12.040 2.402 1.00 0.00 O ATOM 1095 OD2 ASP A 103 0.917 -10.633 3.855 1.00 0.00 O ATOM 0 H ASP A 103 4.238 -11.190 0.554 1.00 0.00 H new ATOM 0 HA ASP A 103 1.618 -12.006 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.832 -12.290 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.966 -10.555 2.448 1.00 0.00 H new ATOM 1100 N ARG A 104 1.799 -8.738 0.691 1.00 0.00 N ATOM 1101 CA ARG A 104 1.044 -7.488 0.593 1.00 0.00 C ATOM 1102 C ARG A 104 1.873 -6.377 -0.045 1.00 0.00 C ATOM 1103 O ARG A 104 3.050 -6.200 0.272 1.00 0.00 O ATOM 1104 CB ARG A 104 0.561 -7.045 1.986 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.416 -8.026 2.626 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.802 -7.637 4.048 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.678 -8.648 4.649 1.00 0.00 N ATOM 1108 CZ ARG A 104 -2.006 -8.706 5.941 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.593 -7.767 6.786 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -2.753 -9.705 6.388 1.00 0.00 N ATOM 0 H ARG A 104 2.724 -8.638 1.109 1.00 0.00 H new ATOM 0 HA ARG A 104 0.182 -7.675 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.424 -6.923 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.083 -6.069 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.316 -8.086 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.030 -9.021 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.097 -7.522 4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.307 -6.671 4.040 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.066 -9.361 4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.020 -6.993 6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.849 -7.820 7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.076 -10.428 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.005 -9.751 7.375 1.00 0.00 H new ATOM 1124 N ALA A 105 1.240 -5.633 -0.947 1.00 0.00 N ATOM 1125 CA ALA A 105 1.828 -4.429 -1.528 1.00 0.00 C ATOM 1126 C ALA A 105 1.107 -3.215 -0.949 1.00 0.00 C ATOM 1127 O ALA A 105 -0.124 -3.189 -0.924 1.00 0.00 O ATOM 1128 CB ALA A 105 1.705 -4.459 -3.048 1.00 0.00 C ATOM 0 H ALA A 105 0.306 -5.847 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 105 2.889 -4.375 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.148 -3.555 -3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.227 -5.333 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.653 -4.510 -3.327 1.00 0.00 H new ATOM 1134 N ILE A 106 1.853 -2.223 -0.462 1.00 0.00 N ATOM 1135 CA ILE A 106 1.228 -1.090 0.223 1.00 0.00 C ATOM 1136 C ILE A 106 1.300 0.197 -0.601 1.00 0.00 C ATOM 1137 O ILE A 106 2.365 0.581 -1.100 1.00 0.00 O ATOM 1138 CB ILE A 106 1.851 -0.855 1.628 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.218 0.377 2.307 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.369 -0.710 1.540 1.00 0.00 C ATOM 1141 CD1 ILE A 106 1.792 0.689 3.671 1.00 0.00 C ATOM 0 H ILE A 106 2.870 -2.179 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 106 0.177 -1.353 0.347 1.00 0.00 H new ATOM 0 HB ILE A 106 1.636 -1.730 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.352 1.244 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.145 0.214 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.777 -0.547 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.797 -1.619 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.617 0.139 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.295 1.568 4.082 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.635 -0.161 4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.860 0.885 3.580 1.00 0.00 H new ATOM 1153 N PHE A 107 0.143 0.842 -0.748 1.00 0.00 N ATOM 1154 CA PHE A 107 0.048 2.165 -1.357 1.00 0.00 C ATOM 1155 C PHE A 107 -0.375 3.178 -0.294 1.00 0.00 C ATOM 1156 O PHE A 107 -1.418 3.016 0.347 1.00 0.00 O ATOM 1157 CB PHE A 107 -0.966 2.175 -2.516 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.595 1.283 -3.679 1.00 0.00 C ATOM 1159 CD1 PHE A 107 0.663 1.364 -4.261 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -1.506 0.364 -4.191 1.00 0.00 C ATOM 1161 CE1 PHE A 107 1.005 0.549 -5.324 1.00 0.00 C ATOM 1162 CE2 PHE A 107 -1.166 -0.449 -5.255 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.090 -0.356 -5.822 1.00 0.00 C ATOM 0 H PHE A 107 -0.754 0.460 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 107 1.025 2.431 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.939 1.867 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.075 3.197 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 107 1.383 2.072 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.490 0.285 -3.752 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.988 0.621 -5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.883 -1.158 -5.644 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.356 -0.991 -6.654 1.00 0.00 H new ATOM 1173 N MET A 108 0.442 4.203 -0.093 1.00 0.00 N ATOM 1174 CA MET A 108 0.153 5.247 0.887 1.00 0.00 C ATOM 1175 C MET A 108 -0.395 6.485 0.187 1.00 0.00 C ATOM 1176 O MET A 108 0.157 6.935 -0.828 1.00 0.00 O ATOM 1177 CB MET A 108 1.418 5.601 1.683 1.00 0.00 C ATOM 1178 CG MET A 108 2.028 4.422 2.430 1.00 0.00 C ATOM 1179 SD MET A 108 3.457 4.903 3.419 1.00 0.00 S ATOM 1180 CE MET A 108 3.998 3.323 4.062 1.00 0.00 C ATOM 0 H MET A 108 1.318 4.336 -0.599 1.00 0.00 H new ATOM 0 HA MET A 108 -0.599 4.874 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 108 2.162 6.010 1.000 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.177 6.387 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 108 1.274 3.976 3.078 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.326 3.656 1.714 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.886 3.466 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.204 2.885 4.666 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.234 2.655 3.234 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.485 7.027 0.735 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.171 8.175 0.150 1.00 0.00 C ATOM 1192 C LEU A 109 -1.990 9.413 1.024 1.00 0.00 C ATOM 1193 O LEU A 109 -2.171 9.355 2.242 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.681 7.889 -0.008 1.00 0.00 C ATOM 1195 CG LEU A 109 -4.087 6.853 -1.074 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.571 7.258 -2.450 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -3.611 5.448 -0.702 1.00 0.00 C ATOM 0 H LEU A 109 -1.914 6.682 1.594 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.733 8.356 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.065 7.553 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.182 8.829 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.176 6.830 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.870 6.511 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.990 8.226 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.483 7.327 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.915 4.744 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.525 5.443 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.054 5.154 0.250 1.00 0.00 H new ATOM 1209 N ARG A 110 -1.615 10.527 0.401 1.00 0.00 N ATOM 1210 CA ARG A 110 -1.631 11.824 1.071 1.00 0.00 C ATOM 1211 C ARG A 110 -3.068 12.334 1.129 1.00 0.00 C ATOM 1212 O ARG A 110 -3.542 12.794 2.170 1.00 0.00 O ATOM 1213 CB ARG A 110 -0.732 12.835 0.331 1.00 0.00 C ATOM 1214 CG ARG A 110 0.578 13.160 1.045 1.00 0.00 C ATOM 1215 CD ARG A 110 0.341 13.735 2.443 1.00 0.00 C ATOM 1216 NE ARG A 110 -0.739 14.730 2.457 1.00 0.00 N ATOM 1217 CZ ARG A 110 -0.621 15.989 2.026 1.00 0.00 C ATOM 1218 NH1 ARG A 110 0.537 16.444 1.557 1.00 0.00 N ATOM 1219 NH2 ARG A 110 -1.671 16.797 2.072 1.00 0.00 N ATOM 0 H ARG A 110 -1.296 10.557 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.241 11.710 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.503 12.441 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.291 13.760 0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.183 12.256 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.147 13.875 0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.096 12.925 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.261 14.194 2.806 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.646 14.439 2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.350 15.829 1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.612 17.408 1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.561 16.456 2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.589 17.760 1.745 1.00 0.00 H new ATOM 1233 N ASP A 111 -3.742 12.239 -0.014 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.162 12.558 -0.136 1.00 0.00 C ATOM 1235 C ASP A 111 -5.831 11.449 -0.941 1.00 0.00 C ATOM 1236 O ASP A 111 -5.330 11.065 -2.001 1.00 0.00 O ATOM 1237 CB ASP A 111 -5.373 13.915 -0.834 1.00 0.00 C ATOM 1238 CG ASP A 111 -4.861 15.098 -0.018 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -5.620 15.619 0.830 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -3.702 15.521 -0.227 1.00 0.00 O ATOM 0 H ASP A 111 -3.315 11.936 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.602 12.630 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.867 13.902 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.436 14.052 -1.033 1.00 0.00 H new ATOM 1245 N GLY A 112 -6.947 10.926 -0.445 1.00 0.00 N ATOM 1246 CA GLY A 112 -7.576 9.778 -1.076 1.00 0.00 C ATOM 1247 C GLY A 112 -8.991 10.058 -1.537 1.00 0.00 C ATOM 1248 O GLY A 112 -9.930 9.375 -1.132 1.00 0.00 O ATOM 0 H GLY A 112 -7.428 11.276 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.976 9.466 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.587 8.945 -0.373 1.00 0.00 H new ATOM 1252 N SER A 113 -9.149 11.069 -2.379 1.00 0.00 N ATOM 1253 CA SER A 113 -10.443 11.370 -2.975 1.00 0.00 C ATOM 1254 C SER A 113 -10.882 10.202 -3.867 1.00 0.00 C ATOM 1255 O SER A 113 -11.986 9.672 -3.730 1.00 0.00 O ATOM 1256 CB SER A 113 -10.350 12.670 -3.780 1.00 0.00 C ATOM 1257 OG SER A 113 -9.804 13.713 -2.983 1.00 0.00 O ATOM 0 H SER A 113 -8.397 11.695 -2.665 1.00 0.00 H new ATOM 0 HA SER A 113 -11.188 11.504 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.728 12.515 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.340 12.956 -4.135 1.00 0.00 H new ATOM 0 HG SER A 113 -9.750 14.536 -3.513 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.982 9.796 -4.758 1.00 0.00 N ATOM 1264 CA TYR A 114 -10.213 8.656 -5.651 1.00 0.00 C ATOM 1265 C TYR A 114 -9.884 7.323 -4.958 1.00 0.00 C ATOM 1266 O TYR A 114 -9.523 6.349 -5.617 1.00 0.00 O ATOM 1267 CB TYR A 114 -9.381 8.812 -6.939 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.873 8.821 -6.724 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -7.231 9.938 -6.201 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -7.094 7.712 -7.053 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.861 9.951 -6.009 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.726 7.719 -6.861 1.00 0.00 C ATOM 1273 CZ TYR A 114 -5.114 8.840 -6.340 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.750 8.850 -6.155 1.00 0.00 O ATOM 0 H TYR A 114 -9.074 10.244 -4.884 1.00 0.00 H new ATOM 0 HA TYR A 114 -11.271 8.642 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.633 7.998 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.670 9.740 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -7.812 10.810 -5.940 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.568 6.833 -7.465 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -5.379 10.827 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.138 6.850 -7.118 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.526 9.435 -5.401 1.00 0.00 H new ATOM 1284 N ALA A 115 -10.051 7.279 -3.634 1.00 0.00 N ATOM 1285 CA ALA A 115 -9.723 6.087 -2.845 1.00 0.00 C ATOM 1286 C ALA A 115 -10.495 4.858 -3.329 1.00 0.00 C ATOM 1287 O ALA A 115 -9.916 3.794 -3.553 1.00 0.00 O ATOM 1288 CB ALA A 115 -10.004 6.337 -1.367 1.00 0.00 C ATOM 0 H ALA A 115 -10.413 8.058 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.660 5.885 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.756 5.444 -0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.398 7.173 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -11.060 6.573 -1.232 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.804 5.011 -3.493 1.00 0.00 N ATOM 1295 CA TRP A 116 -12.655 3.905 -3.929 1.00 0.00 C ATOM 1296 C TRP A 116 -12.466 3.625 -5.416 1.00 0.00 C ATOM 1297 O TRP A 116 -12.711 2.509 -5.878 1.00 0.00 O ATOM 1298 CB TRP A 116 -14.131 4.194 -3.593 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.618 3.460 -2.374 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.774 2.744 -2.262 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.951 3.342 -1.105 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.872 2.193 -1.009 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.769 2.546 -0.278 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.748 3.831 -0.585 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.420 2.230 1.032 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.404 3.516 0.713 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.236 2.721 1.509 1.00 0.00 C ATOM 0 H TRP A 116 -12.300 5.887 -3.332 1.00 0.00 H new ATOM 0 HA TRP A 116 -12.358 3.007 -3.387 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -14.258 5.265 -3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -14.751 3.919 -4.446 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -16.507 2.628 -3.047 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.642 1.614 -0.676 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.099 4.446 -1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.061 1.619 1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.477 3.889 1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -12.937 2.490 2.521 1.00 0.00 H new ATOM 1318 N GLU A 117 -12.012 4.632 -6.153 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.719 4.469 -7.575 1.00 0.00 C ATOM 1320 C GLU A 117 -10.505 3.556 -7.755 1.00 0.00 C ATOM 1321 O GLU A 117 -10.564 2.553 -8.476 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.466 5.838 -8.228 1.00 0.00 C ATOM 1323 CG GLU A 117 -11.171 5.777 -9.725 1.00 0.00 C ATOM 1324 CD GLU A 117 -12.307 5.161 -10.529 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -13.311 5.862 -10.784 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -12.201 3.974 -10.911 1.00 0.00 O ATOM 0 H GLU A 117 -11.838 5.570 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.578 4.010 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.339 6.471 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.627 6.318 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.977 6.784 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.262 5.198 -9.888 1.00 0.00 H new ATOM 1333 N ILE A 118 -9.411 3.893 -7.072 1.00 0.00 N ATOM 1334 CA ILE A 118 -8.190 3.101 -7.149 1.00 0.00 C ATOM 1335 C ILE A 118 -8.423 1.711 -6.562 1.00 0.00 C ATOM 1336 O ILE A 118 -7.977 0.715 -7.129 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.987 3.795 -6.446 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.709 2.948 -6.592 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -7.286 4.068 -4.973 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.477 3.582 -5.979 1.00 0.00 C ATOM 0 H ILE A 118 -9.348 4.708 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.932 3.007 -8.204 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.824 4.755 -6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.874 1.976 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.524 2.768 -7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.426 4.553 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -8.156 4.719 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.489 3.127 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.620 2.925 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -4.284 4.541 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.640 3.737 -4.912 1.00 0.00 H new ATOM 1352 N LYS A 119 -9.157 1.638 -5.446 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.488 0.350 -4.832 1.00 0.00 C ATOM 1354 C LYS A 119 -10.249 -0.525 -5.825 1.00 0.00 C ATOM 1355 O LYS A 119 -9.961 -1.717 -5.971 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.319 0.539 -3.553 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.660 -0.777 -2.850 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.442 -0.557 -1.556 1.00 0.00 C ATOM 1359 CE LYS A 119 -12.824 0.032 -1.810 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.686 -0.873 -2.615 1.00 0.00 N ATOM 0 H LYS A 119 -9.530 2.450 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.555 -0.143 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.770 1.179 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.244 1.059 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -11.244 -1.405 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.740 -1.317 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.545 -1.506 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.879 0.110 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.309 0.238 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.720 0.986 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.667 -0.530 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.349 -0.889 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.645 -1.834 -2.219 1.00 0.00 H new ATOM 1374 N ASP A 120 -11.215 0.083 -6.511 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.977 -0.605 -7.552 1.00 0.00 C ATOM 1376 C ASP A 120 -11.031 -1.140 -8.620 1.00 0.00 C ATOM 1377 O ASP A 120 -11.139 -2.296 -9.054 1.00 0.00 O ATOM 1378 CB ASP A 120 -12.997 0.350 -8.185 1.00 0.00 C ATOM 1379 CG ASP A 120 -13.780 -0.289 -9.322 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.814 -0.938 -9.047 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -13.380 -0.132 -10.498 1.00 0.00 O ATOM 0 H ASP A 120 -11.489 1.054 -6.364 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.514 -1.439 -7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.693 0.691 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.478 1.232 -8.559 1.00 0.00 H new ATOM 1386 N PHE A 121 -10.070 -0.307 -9.007 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.093 -0.678 -10.017 1.00 0.00 C ATOM 1388 C PHE A 121 -8.246 -1.849 -9.523 1.00 0.00 C ATOM 1389 O PHE A 121 -7.898 -2.732 -10.296 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.205 0.531 -10.355 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.050 0.212 -11.274 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.266 -0.073 -12.617 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.746 0.195 -10.794 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.210 -0.368 -13.455 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.688 -0.098 -11.629 1.00 0.00 C ATOM 1396 CZ PHE A 121 -4.919 -0.382 -12.961 1.00 0.00 C ATOM 0 H PHE A 121 -9.949 0.634 -8.632 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.614 -0.990 -10.922 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.821 1.302 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.813 0.950 -9.428 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.272 -0.063 -13.009 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.558 0.414 -9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.392 -0.588 -14.497 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.680 -0.105 -11.242 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.092 -0.615 -13.616 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.941 -1.858 -8.225 1.00 0.00 N ATOM 1407 CA LEU A 122 -7.123 -2.914 -7.626 1.00 0.00 C ATOM 1408 C LEU A 122 -7.852 -4.258 -7.666 1.00 0.00 C ATOM 1409 O LEU A 122 -7.269 -5.280 -8.036 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.751 -2.561 -6.175 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.966 -1.247 -5.991 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.640 -1.010 -4.518 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.691 -1.242 -6.833 1.00 0.00 C ATOM 0 H LEU A 122 -8.249 -1.143 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.207 -2.997 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.667 -2.501 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.160 -3.378 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.600 -0.431 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -5.086 -0.077 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.566 -0.948 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.035 -1.835 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.159 -0.303 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.053 -2.073 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.950 -1.347 -7.886 1.00 0.00 H new ATOM 1425 N VAL A 123 -9.133 -4.249 -7.298 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.930 -5.480 -7.270 1.00 0.00 C ATOM 1427 C VAL A 123 -10.388 -5.881 -8.677 1.00 0.00 C ATOM 1428 O VAL A 123 -10.863 -6.999 -8.889 1.00 0.00 O ATOM 1429 CB VAL A 123 -11.160 -5.349 -6.334 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.719 -5.046 -4.903 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.127 -4.284 -6.848 1.00 0.00 C ATOM 0 H VAL A 123 -9.640 -3.410 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.282 -6.263 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.688 -6.303 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.597 -4.958 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -10.084 -5.854 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -10.161 -4.110 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.981 -4.212 -6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.618 -3.321 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.474 -4.558 -7.844 1.00 0.00 H new ATOM 1441 N SER A 124 -10.227 -4.965 -9.632 1.00 0.00 N ATOM 1442 CA SER A 124 -10.554 -5.213 -11.046 1.00 0.00 C ATOM 1443 C SER A 124 -9.699 -6.341 -11.678 1.00 0.00 C ATOM 1444 O SER A 124 -9.846 -6.639 -12.869 1.00 0.00 O ATOM 1445 CB SER A 124 -10.389 -3.907 -11.842 1.00 0.00 C ATOM 1446 OG SER A 124 -10.898 -4.025 -13.161 1.00 0.00 O ATOM 0 H SER A 124 -9.866 -4.028 -9.452 1.00 0.00 H new ATOM 0 HA SER A 124 -11.589 -5.553 -11.087 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.905 -3.098 -11.324 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.334 -3.637 -11.883 1.00 0.00 H new ATOM 0 HG SER A 124 -10.704 -4.921 -13.508 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.822 -6.974 -10.890 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.895 -7.983 -11.419 1.00 0.00 C ATOM 1454 C GLN A 125 -8.303 -9.393 -11.002 1.00 0.00 C ATOM 1455 O GLN A 125 -8.573 -9.651 -9.825 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.454 -7.733 -10.945 1.00 0.00 C ATOM 1457 CG GLN A 125 -5.715 -6.633 -11.698 1.00 0.00 C ATOM 1458 CD GLN A 125 -6.352 -5.273 -11.534 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -6.041 -4.618 -10.433 1.00 0.00 O flip ATOM 1460 NE2 GLN A 125 -7.145 -4.835 -12.364 1.00 0.00 N flip ATOM 0 H GLN A 125 -8.734 -6.807 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.940 -7.897 -12.505 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.474 -7.478 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -5.889 -8.661 -11.039 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.684 -6.590 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.680 -6.886 -12.758 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -7.356 -5.376 -13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.592 -3.930 -12.215 1.00 0.00 H new ATOM 1469 N ASP A 126 -8.335 -10.305 -11.973 1.00 0.00 N ATOM 1470 CA ASP A 126 -8.497 -11.733 -11.688 1.00 0.00 C ATOM 1471 C ASP A 126 -7.273 -12.256 -10.939 1.00 0.00 C ATOM 1472 O ASP A 126 -7.312 -13.320 -10.320 1.00 0.00 O ATOM 1473 CB ASP A 126 -8.704 -12.544 -12.980 1.00 0.00 C ATOM 1474 CG ASP A 126 -9.977 -12.177 -13.731 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -10.998 -11.865 -13.082 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -9.961 -12.199 -14.983 1.00 0.00 O ATOM 0 H ASP A 126 -8.251 -10.082 -12.965 1.00 0.00 H new ATOM 0 HA ASP A 126 -9.385 -11.853 -11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -7.848 -12.391 -13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.731 -13.605 -12.733 1.00 0.00 H new ATOM 1481 N ARG A 127 -6.179 -11.493 -11.014 1.00 0.00 N ATOM 1482 CA ARG A 127 -4.951 -11.792 -10.267 1.00 0.00 C ATOM 1483 C ARG A 127 -5.208 -11.840 -8.756 1.00 0.00 C ATOM 1484 O ARG A 127 -4.359 -12.316 -8.003 1.00 0.00 O ATOM 1485 CB ARG A 127 -3.868 -10.743 -10.571 1.00 0.00 C ATOM 1486 CG ARG A 127 -3.381 -10.748 -12.017 1.00 0.00 C ATOM 1487 CD ARG A 127 -2.678 -12.053 -12.377 1.00 0.00 C ATOM 1488 NE ARG A 127 -1.423 -12.237 -11.638 1.00 0.00 N ATOM 1489 CZ ARG A 127 -1.002 -13.406 -11.141 1.00 0.00 C ATOM 1490 NH1 ARG A 127 -1.750 -14.496 -11.267 1.00 0.00 N ATOM 1491 NH2 ARG A 127 0.170 -13.482 -10.531 1.00 0.00 N ATOM 0 H ARG A 127 -6.118 -10.654 -11.591 1.00 0.00 H new ATOM 0 HA ARG A 127 -4.606 -12.775 -10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -4.260 -9.754 -10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -3.017 -10.914 -9.912 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.228 -10.596 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -2.698 -9.913 -12.173 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.344 -12.890 -12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -2.471 -12.068 -13.447 1.00 0.00 H new ATOM 0 HE ARG A 127 -0.832 -11.418 -11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -2.650 -14.445 -11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -1.425 -15.385 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.752 -12.650 -10.440 1.00 0.00 H new ATOM 0 HH22 ARG A 127 0.491 -14.373 -10.152 1.00 0.00 H new ATOM 1505 N CYS A 128 -6.380 -11.340 -8.340 1.00 0.00 N ATOM 1506 CA CYS A 128 -6.782 -11.290 -6.932 1.00 0.00 C ATOM 1507 C CYS A 128 -6.097 -10.131 -6.213 1.00 0.00 C ATOM 1508 O CYS A 128 -4.943 -9.801 -6.499 1.00 0.00 O ATOM 1509 CB CYS A 128 -6.502 -12.619 -6.207 1.00 0.00 C ATOM 1510 SG CYS A 128 -6.959 -12.621 -4.457 1.00 0.00 S ATOM 0 H CYS A 128 -7.078 -10.957 -8.977 1.00 0.00 H new ATOM 0 HA CYS A 128 -7.859 -11.126 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -7.045 -13.417 -6.713 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.440 -12.850 -6.294 1.00 0.00 H new ATOM 0 HG CYS A 128 -6.687 -13.782 -3.939 1.00 0.00 H new ATOM 1516 N ALA A 129 -6.823 -9.506 -5.289 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.313 -8.363 -4.543 1.00 0.00 C ATOM 1518 C ALA A 129 -7.199 -8.064 -3.338 1.00 0.00 C ATOM 1519 O ALA A 129 -8.262 -7.448 -3.471 1.00 0.00 O ATOM 1520 CB ALA A 129 -6.212 -7.136 -5.449 1.00 0.00 C ATOM 0 H ALA A 129 -7.774 -9.777 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.315 -8.610 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.829 -6.291 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.535 -7.349 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -7.199 -6.891 -5.841 1.00 0.00 H new ATOM 1526 N GLU A 130 -6.777 -8.528 -2.165 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.472 -8.218 -0.923 1.00 0.00 C ATOM 1528 C GLU A 130 -7.015 -6.862 -0.406 1.00 0.00 C ATOM 1529 O GLU A 130 -5.869 -6.705 0.010 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.211 -9.310 0.126 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.012 -10.589 -0.104 1.00 0.00 C ATOM 1532 CD GLU A 130 -9.490 -10.418 0.221 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -10.206 -9.736 -0.547 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -9.941 -10.945 1.259 1.00 0.00 O ATOM 0 H GLU A 130 -5.955 -9.121 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.544 -8.181 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.148 -9.553 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.449 -8.916 1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.905 -10.899 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.598 -11.388 0.511 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.916 -5.889 -0.433 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.596 -4.534 -0.003 1.00 0.00 C ATOM 1543 C VAL A 131 -8.063 -4.311 1.431 1.00 0.00 C ATOM 1544 O VAL A 131 -9.247 -4.461 1.740 1.00 0.00 O ATOM 1545 CB VAL A 131 -8.248 -3.474 -0.929 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -7.853 -2.058 -0.499 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.867 -3.725 -2.388 1.00 0.00 C ATOM 0 H VAL A 131 -8.878 -6.013 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.513 -4.419 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.331 -3.564 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.322 -1.332 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.186 -1.882 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.770 -1.951 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.334 -2.971 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.784 -3.669 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.211 -4.715 -2.689 1.00 0.00 H new ATOM 1557 N THR A 132 -7.127 -3.956 2.298 1.00 0.00 N ATOM 1558 CA THR A 132 -7.416 -3.706 3.701 1.00 0.00 C ATOM 1559 C THR A 132 -6.775 -2.388 4.133 1.00 0.00 C ATOM 1560 O THR A 132 -5.560 -2.201 3.997 1.00 0.00 O ATOM 1561 CB THR A 132 -6.904 -4.871 4.585 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.580 -5.250 4.182 1.00 0.00 O ATOM 1563 CG2 THR A 132 -7.828 -6.084 4.495 1.00 0.00 C ATOM 0 H THR A 132 -6.146 -3.833 2.048 1.00 0.00 H new ATOM 0 HA THR A 132 -8.496 -3.636 3.828 1.00 0.00 H new ATOM 0 HB THR A 132 -6.890 -4.523 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 132 -5.264 -5.986 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 132 -7.441 -6.884 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.827 -5.806 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.877 -6.429 3.462 1.00 0.00 H new ATOM 1571 N LEU A 133 -7.595 -1.462 4.624 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.117 -0.152 5.044 1.00 0.00 C ATOM 1573 C LEU A 133 -6.672 -0.220 6.500 1.00 0.00 C ATOM 1574 O LEU A 133 -7.431 -0.680 7.355 1.00 0.00 O ATOM 1575 CB LEU A 133 -8.241 0.894 4.910 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.050 0.856 3.602 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -10.169 1.897 3.628 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.147 1.067 2.391 1.00 0.00 C ATOM 0 H LEU A 133 -8.599 -1.598 4.740 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.280 0.138 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.931 0.765 5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.800 1.886 5.012 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.502 -0.132 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.729 1.853 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.839 1.690 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.738 2.891 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.746 1.035 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.655 2.037 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.394 0.280 2.357 1.00 0.00 H new ATOM 1590 N GLU A 134 -5.455 0.223 6.792 1.00 0.00 N ATOM 1591 CA GLU A 134 -4.996 0.261 8.182 1.00 0.00 C ATOM 1592 C GLU A 134 -5.328 1.610 8.806 1.00 0.00 C ATOM 1593 O GLU A 134 -4.673 2.618 8.536 1.00 0.00 O ATOM 1594 CB GLU A 134 -3.500 -0.050 8.301 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.164 -1.524 8.098 1.00 0.00 C ATOM 1596 CD GLU A 134 -3.924 -2.442 9.049 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -3.586 -2.484 10.249 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -4.859 -3.138 8.599 1.00 0.00 O ATOM 0 H GLU A 134 -4.778 0.555 6.105 1.00 0.00 H new ATOM 0 HA GLU A 134 -5.524 -0.519 8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -2.955 0.543 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.150 0.262 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.392 -1.805 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.093 -1.670 8.238 1.00 0.00 H new ATOM 1605 N GLY A 135 -6.378 1.613 9.616 1.00 0.00 N ATOM 1606 CA GLY A 135 -6.844 2.823 10.261 1.00 0.00 C ATOM 1607 C GLY A 135 -8.329 2.752 10.537 1.00 0.00 C ATOM 1608 O GLY A 135 -8.970 1.741 10.234 1.00 0.00 O ATOM 0 H GLY A 135 -6.924 0.781 9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.303 2.973 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -6.629 3.683 9.627 1.00 0.00 H new ATOM 1612 N GLN A 136 -8.885 3.817 11.102 1.00 0.00 N ATOM 1613 CA GLN A 136 -10.308 3.860 11.420 1.00 0.00 C ATOM 1614 C GLN A 136 -11.126 4.010 10.135 1.00 0.00 C ATOM 1615 O GLN A 136 -11.250 5.108 9.589 1.00 0.00 O ATOM 1616 CB GLN A 136 -10.610 5.012 12.387 1.00 0.00 C ATOM 1617 CG GLN A 136 -9.787 4.962 13.670 1.00 0.00 C ATOM 1618 CD GLN A 136 -10.189 6.032 14.668 1.00 0.00 C ATOM 1619 OE1 GLN A 136 -9.666 7.146 14.647 1.00 0.00 O ATOM 1620 NE2 GLN A 136 -11.126 5.707 15.545 1.00 0.00 N ATOM 0 H GLN A 136 -8.372 4.663 11.350 1.00 0.00 H new ATOM 0 HA GLN A 136 -10.587 2.926 11.907 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -10.422 5.959 11.881 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.669 4.992 12.643 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -9.900 3.981 14.131 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -8.732 5.079 13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -11.536 4.773 15.531 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -11.438 6.391 16.235 1.00 0.00 H new ATOM 1629 N MET A 137 -11.654 2.893 9.645 1.00 0.00 N ATOM 1630 CA MET A 137 -12.425 2.887 8.409 1.00 0.00 C ATOM 1631 C MET A 137 -13.767 3.587 8.614 1.00 0.00 C ATOM 1632 O MET A 137 -14.712 3.000 9.137 1.00 0.00 O ATOM 1633 CB MET A 137 -12.642 1.449 7.912 1.00 0.00 C ATOM 1634 CG MET A 137 -11.355 0.726 7.533 1.00 0.00 C ATOM 1635 SD MET A 137 -11.645 -0.949 6.923 1.00 0.00 S ATOM 1636 CE MET A 137 -12.698 -0.635 5.505 1.00 0.00 C ATOM 0 H MET A 137 -11.561 1.979 10.087 1.00 0.00 H new ATOM 0 HA MET A 137 -11.861 3.431 7.651 1.00 0.00 H new ATOM 0 HB2 MET A 137 -13.152 0.879 8.689 1.00 0.00 H new ATOM 0 HB3 MET A 137 -13.304 1.470 7.046 1.00 0.00 H new ATOM 0 HG2 MET A 137 -10.833 1.301 6.768 1.00 0.00 H new ATOM 0 HG3 MET A 137 -10.699 0.682 8.402 1.00 0.00 H new ATOM 0 HE1 MET A 137 -12.390 -1.271 4.675 1.00 0.00 H new ATOM 0 HE2 MET A 137 -13.734 -0.854 5.765 1.00 0.00 H new ATOM 0 HE3 MET A 137 -12.611 0.411 5.212 1.00 0.00 H new ATOM 1646 N TYR A 138 -13.834 4.849 8.197 1.00 0.00 N ATOM 1647 CA TYR A 138 -15.061 5.638 8.306 1.00 0.00 C ATOM 1648 C TYR A 138 -16.243 5.034 7.509 1.00 0.00 C ATOM 1649 O TYR A 138 -17.391 5.229 7.907 1.00 0.00 O ATOM 1650 CB TYR A 138 -14.814 7.113 7.918 1.00 0.00 C ATOM 1651 CG TYR A 138 -14.243 7.332 6.525 1.00 0.00 C ATOM 1652 CD1 TYR A 138 -12.888 7.131 6.264 1.00 0.00 C ATOM 1653 CD2 TYR A 138 -15.055 7.748 5.473 1.00 0.00 C ATOM 1654 CE1 TYR A 138 -12.367 7.334 5.000 1.00 0.00 C ATOM 1655 CE2 TYR A 138 -14.539 7.951 4.209 1.00 0.00 C ATOM 1656 CZ TYR A 138 -13.195 7.742 3.977 1.00 0.00 C ATOM 1657 OH TYR A 138 -12.680 7.940 2.715 1.00 0.00 O ATOM 0 H TYR A 138 -13.050 5.350 7.779 1.00 0.00 H new ATOM 0 HA TYR A 138 -15.355 5.607 9.355 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -15.757 7.655 7.996 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -14.132 7.554 8.646 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -12.235 6.811 7.063 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -16.107 7.915 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.315 7.173 4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -15.185 8.272 3.405 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.397 8.225 2.110 1.00 0.00 H new ATOM 1667 N PRO A 139 -16.018 4.294 6.380 1.00 0.00 N ATOM 1668 CA PRO A 139 -17.109 3.571 5.693 1.00 0.00 C ATOM 1669 C PRO A 139 -17.732 2.472 6.565 1.00 0.00 C ATOM 1670 O PRO A 139 -18.735 1.856 6.189 1.00 0.00 O ATOM 1671 CB PRO A 139 -16.427 2.955 4.459 1.00 0.00 C ATOM 1672 CG PRO A 139 -15.195 3.767 4.265 1.00 0.00 C ATOM 1673 CD PRO A 139 -14.744 4.143 5.644 1.00 0.00 C ATOM 0 HA PRO A 139 -17.935 4.239 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -16.187 1.904 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -17.075 3.002 3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -14.427 3.197 3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -15.399 4.653 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -14.111 3.373 6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -14.167 5.068 5.642 1.00 0.00 H new ATOM 1681 N GLY A 140 -17.124 2.225 7.725 1.00 0.00 N ATOM 1682 CA GLY A 140 -17.639 1.237 8.654 1.00 0.00 C ATOM 1683 C GLY A 140 -17.329 1.608 10.090 1.00 0.00 C ATOM 1684 O GLY A 140 -18.047 2.411 10.698 1.00 0.00 O ATOM 0 H GLY A 140 -16.276 2.698 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -18.717 1.144 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -17.206 0.263 8.427 1.00 0.00 H new ATOM 1688 N LYS A 141 -16.254 1.034 10.629 1.00 0.00 N ATOM 1689 CA LYS A 141 -15.799 1.335 11.989 1.00 0.00 C ATOM 1690 C LYS A 141 -14.280 1.499 12.019 1.00 0.00 C ATOM 1691 O LYS A 141 -13.585 1.139 11.064 1.00 0.00 O ATOM 1692 CB LYS A 141 -16.224 0.227 12.967 1.00 0.00 C ATOM 1693 CG LYS A 141 -17.737 0.074 13.117 1.00 0.00 C ATOM 1694 CD LYS A 141 -18.101 -0.965 14.174 1.00 0.00 C ATOM 1695 CE LYS A 141 -19.609 -1.100 14.342 1.00 0.00 C ATOM 1696 NZ LYS A 141 -19.965 -2.030 15.448 1.00 0.00 N ATOM 0 H LYS A 141 -15.676 0.351 10.140 1.00 0.00 H new ATOM 0 HA LYS A 141 -16.264 2.270 12.300 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -15.805 -0.721 12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -15.792 0.436 13.946 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -18.174 1.035 13.387 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -18.170 -0.215 12.159 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -17.679 -1.930 13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -17.653 -0.685 15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -20.041 -0.119 14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -20.047 -1.459 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -21.000 -2.093 15.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -19.575 -2.973 15.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -19.569 -1.674 16.342 1.00 0.00 H new TER 1710 LYS A 141