USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.75 X(o=-2.8,f=-2.8) USER MOD Single : A 52 SER OG : rot 59:sc= 0.012 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.304 K(o=-0.3,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.6 K(o=-2.6,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -150:sc= -0.172 (180deg=-0.861) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0.0924 USER MOD Single : B 83 THR OG1 : rot -43:sc= 1.1 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -15.543 -8.319 7.147 1.00 0.00 N ATOM 2 CA GLY A 16 -14.186 -8.916 7.008 1.00 0.00 C ATOM 3 C GLY A 16 -13.645 -8.800 5.597 1.00 0.00 C ATOM 4 O GLY A 16 -13.319 -9.805 4.965 1.00 0.00 O ATOM 0 HA2 GLY A 16 -13.502 -8.422 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.223 -9.967 7.295 1.00 0.00 H new ATOM 10 N ARG A 17 -13.548 -7.571 5.103 1.00 0.00 N ATOM 11 CA ARG A 17 -13.041 -7.323 3.757 1.00 0.00 C ATOM 12 C ARG A 17 -11.849 -6.378 3.801 1.00 0.00 C ATOM 13 O ARG A 17 -11.702 -5.495 2.954 1.00 0.00 O ATOM 14 CB ARG A 17 -14.141 -6.744 2.864 1.00 0.00 C ATOM 15 CG ARG A 17 -15.408 -6.388 3.620 1.00 0.00 C ATOM 16 CD ARG A 17 -16.637 -7.011 2.975 1.00 0.00 C ATOM 17 NE ARG A 17 -17.070 -6.269 1.793 1.00 0.00 N ATOM 18 CZ ARG A 17 -17.282 -6.831 0.606 1.00 0.00 C ATOM 19 NH1 ARG A 17 -17.102 -8.135 0.443 1.00 0.00 N ATOM 20 NH2 ARG A 17 -17.675 -6.088 -0.420 1.00 0.00 N ATOM 0 H ARG A 17 -13.814 -6.729 5.614 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.717 -8.274 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.762 -5.852 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.383 -7.466 2.084 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.325 -6.729 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.522 -5.304 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.417 -8.041 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.450 -7.044 3.700 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.218 -5.264 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.800 -8.710 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.266 -8.562 -0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.815 -5.085 -0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.837 -6.520 -1.330 1.00 0.00 H new ATOM 34 N VAL A 18 -11.002 -6.577 4.800 1.00 0.00 N ATOM 35 CA VAL A 18 -9.812 -5.755 4.979 1.00 0.00 C ATOM 36 C VAL A 18 -8.800 -6.004 3.865 1.00 0.00 C ATOM 37 O VAL A 18 -7.976 -6.916 3.953 1.00 0.00 O ATOM 38 CB VAL A 18 -9.140 -6.031 6.338 1.00 0.00 C ATOM 39 CG1 VAL A 18 -8.038 -5.019 6.606 1.00 0.00 C ATOM 40 CG2 VAL A 18 -10.170 -6.018 7.457 1.00 0.00 C ATOM 0 H VAL A 18 -11.117 -7.306 5.504 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.137 -4.715 4.946 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.689 -7.023 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.576 -5.231 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.285 -5.084 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.462 -4.015 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.676 -6.215 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.654 -5.042 7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.919 -6.788 7.271 1.00 0.00 H new ATOM 50 N ARG A 19 -8.868 -5.188 2.816 1.00 0.00 N ATOM 51 CA ARG A 19 -7.958 -5.322 1.682 1.00 0.00 C ATOM 52 C ARG A 19 -7.839 -4.006 0.915 1.00 0.00 C ATOM 53 O ARG A 19 -8.036 -3.968 -0.298 1.00 0.00 O ATOM 54 CB ARG A 19 -8.444 -6.427 0.742 1.00 0.00 C ATOM 55 CG ARG A 19 -9.935 -6.363 0.451 1.00 0.00 C ATOM 56 CD ARG A 19 -10.233 -6.677 -1.007 1.00 0.00 C ATOM 57 NE ARG A 19 -9.583 -7.909 -1.448 1.00 0.00 N ATOM 58 CZ ARG A 19 -9.815 -8.486 -2.623 1.00 0.00 C ATOM 59 NH1 ARG A 19 -10.686 -7.953 -3.469 1.00 0.00 N ATOM 60 NH2 ARG A 19 -9.175 -9.601 -2.951 1.00 0.00 N ATOM 0 H ARG A 19 -9.543 -4.428 2.728 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.974 -5.585 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.895 -6.361 -0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.209 -7.396 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.462 -7.070 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.312 -5.370 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.310 -6.767 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.899 -5.848 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.913 -8.351 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.181 -7.097 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.861 -8.399 -4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.506 -10.015 -2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.352 -10.045 -3.852 1.00 0.00 H new ATOM 74 N TRP A 20 -7.528 -2.929 1.633 1.00 0.00 N ATOM 75 CA TRP A 20 -7.392 -1.610 1.027 1.00 0.00 C ATOM 76 C TRP A 20 -6.245 -0.842 1.662 1.00 0.00 C ATOM 77 O TRP A 20 -5.855 -1.124 2.791 1.00 0.00 O ATOM 78 CB TRP A 20 -8.695 -0.821 1.174 1.00 0.00 C ATOM 79 CG TRP A 20 -9.845 -1.483 0.497 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.572 -2.537 0.967 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.395 -1.143 -0.777 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.532 -2.889 0.048 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.443 -2.042 -1.031 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.098 -0.165 -1.729 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.192 -1.994 -2.203 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.845 -0.116 -2.889 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.880 -1.027 -3.120 1.00 0.00 C ATOM 0 H TRP A 20 -7.365 -2.946 2.640 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.176 -1.743 -0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.923 -0.698 2.233 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.560 0.178 0.759 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.417 -3.023 1.919 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.200 -3.653 0.150 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.298 0.541 -1.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.993 -2.696 -2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.626 0.638 -3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.444 -0.967 -4.039 1.00 0.00 H new ATOM 98 N ALA A 21 -5.700 0.127 0.940 1.00 0.00 N ATOM 99 CA ALA A 21 -4.612 0.925 1.460 1.00 0.00 C ATOM 100 C ALA A 21 -4.993 2.395 1.448 1.00 0.00 C ATOM 101 O ALA A 21 -4.978 3.039 0.400 1.00 0.00 O ATOM 102 CB ALA A 21 -3.350 0.697 0.642 1.00 0.00 C ATOM 0 H ALA A 21 -5.996 0.375 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.415 0.623 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.540 1.305 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.072 -0.356 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.533 0.979 -0.395 1.00 0.00 H new ATOM 108 N ARG A 22 -5.315 2.930 2.619 1.00 0.00 N ATOM 109 CA ARG A 22 -5.674 4.331 2.723 1.00 0.00 C ATOM 110 C ARG A 22 -4.504 5.099 3.311 1.00 0.00 C ATOM 111 O ARG A 22 -4.165 4.947 4.486 1.00 0.00 O ATOM 112 CB ARG A 22 -6.944 4.511 3.566 1.00 0.00 C ATOM 113 CG ARG A 22 -7.038 5.849 4.285 1.00 0.00 C ATOM 114 CD ARG A 22 -7.342 5.667 5.764 1.00 0.00 C ATOM 115 NE ARG A 22 -8.498 4.802 5.986 1.00 0.00 N ATOM 116 CZ ARG A 22 -8.876 4.373 7.188 1.00 0.00 C ATOM 117 NH1 ARG A 22 -8.202 4.739 8.269 1.00 0.00 N ATOM 118 NH2 ARG A 22 -9.930 3.578 7.307 1.00 0.00 N ATOM 0 H ARG A 22 -5.334 2.417 3.500 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.893 4.725 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.814 4.398 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.991 3.711 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.100 6.392 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.817 6.457 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.471 5.242 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.526 6.641 6.218 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.045 4.511 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.391 5.351 8.181 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.494 4.408 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.452 3.295 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.219 3.249 8.228 1.00 0.00 H new ATOM 132 N ALA A 23 -3.875 5.899 2.465 1.00 0.00 N ATOM 133 CA ALA A 23 -2.714 6.676 2.863 1.00 0.00 C ATOM 134 C ALA A 23 -3.093 7.938 3.624 1.00 0.00 C ATOM 135 O ALA A 23 -3.804 8.798 3.106 1.00 0.00 O ATOM 136 CB ALA A 23 -1.883 7.034 1.640 1.00 0.00 C ATOM 0 H ALA A 23 -4.152 6.027 1.492 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.126 6.056 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.015 7.617 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.551 6.121 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.487 7.621 0.949 1.00 0.00 H new ATOM 142 N LEU A 24 -2.575 8.051 4.842 1.00 0.00 N ATOM 143 CA LEU A 24 -2.812 9.223 5.675 1.00 0.00 C ATOM 144 C LEU A 24 -1.694 10.224 5.427 1.00 0.00 C ATOM 145 O LEU A 24 -1.794 11.404 5.765 1.00 0.00 O ATOM 146 CB LEU A 24 -2.852 8.835 7.156 1.00 0.00 C ATOM 147 CG LEU A 24 -3.206 7.374 7.438 1.00 0.00 C ATOM 148 CD1 LEU A 24 -2.740 6.973 8.828 1.00 0.00 C ATOM 149 CD2 LEU A 24 -4.702 7.152 7.290 1.00 0.00 C ATOM 0 H LEU A 24 -1.985 7.341 5.276 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.775 9.664 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.878 9.048 7.597 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.577 9.472 7.662 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.692 6.746 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.000 5.931 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.659 7.096 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.226 7.605 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.937 6.107 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.236 7.788 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.008 7.401 6.274 1.00 0.00 H new ATOM 161 N TYR A 25 -0.629 9.715 4.814 1.00 0.00 N ATOM 162 CA TYR A 25 0.546 10.503 4.474 1.00 0.00 C ATOM 163 C TYR A 25 1.043 10.098 3.090 1.00 0.00 C ATOM 164 O TYR A 25 0.471 9.206 2.462 1.00 0.00 O ATOM 165 CB TYR A 25 1.662 10.303 5.507 1.00 0.00 C ATOM 166 CG TYR A 25 1.186 9.777 6.843 1.00 0.00 C ATOM 167 CD1 TYR A 25 1.093 8.411 7.083 1.00 0.00 C ATOM 168 CD2 TYR A 25 0.834 10.648 7.868 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.663 7.929 8.304 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.403 10.173 9.092 1.00 0.00 C ATOM 171 CZ TYR A 25 0.319 8.813 9.305 1.00 0.00 C ATOM 172 OH TYR A 25 -0.111 8.337 10.522 1.00 0.00 O ATOM 0 H TYR A 25 -0.559 8.736 4.538 1.00 0.00 H new ATOM 0 HA TYR A 25 0.269 11.557 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.399 9.611 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.170 11.254 5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.361 7.715 6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.899 11.714 7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.596 6.865 8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.133 10.863 9.878 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.312 9.091 11.115 1.00 0.00 H new ATOM 182 N ASP A 26 2.096 10.756 2.616 1.00 0.00 N ATOM 183 CA ASP A 26 2.665 10.461 1.301 1.00 0.00 C ATOM 184 C ASP A 26 2.945 8.964 1.124 1.00 0.00 C ATOM 185 O ASP A 26 2.626 8.148 1.987 1.00 0.00 O ATOM 186 CB ASP A 26 3.957 11.255 1.096 1.00 0.00 C ATOM 187 CG ASP A 26 3.950 12.046 -0.198 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.386 13.159 -0.209 1.00 0.00 O ATOM 189 OD2 ASP A 26 4.508 11.551 -1.199 1.00 0.00 O ATOM 0 H ASP A 26 2.576 11.500 3.123 1.00 0.00 H new ATOM 0 HA ASP A 26 1.930 10.756 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.098 11.937 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.805 10.570 1.096 1.00 0.00 H new ATOM 194 N PHE A 27 3.533 8.614 -0.015 1.00 0.00 N ATOM 195 CA PHE A 27 3.841 7.221 -0.328 1.00 0.00 C ATOM 196 C PHE A 27 5.316 6.897 -0.097 1.00 0.00 C ATOM 197 O PHE A 27 6.189 7.744 -0.288 1.00 0.00 O ATOM 198 CB PHE A 27 3.482 6.927 -1.780 1.00 0.00 C ATOM 199 CG PHE A 27 4.402 7.585 -2.767 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.183 8.889 -3.181 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.488 6.897 -3.279 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.031 9.494 -4.089 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.341 7.495 -4.187 1.00 0.00 C ATOM 204 CZ PHE A 27 6.112 8.796 -4.593 1.00 0.00 C ATOM 0 H PHE A 27 3.807 9.277 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 27 3.250 6.596 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.501 5.849 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.461 7.259 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.340 9.439 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.671 5.880 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.849 10.511 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.185 6.947 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.776 9.266 -5.303 1.00 0.00 H new ATOM 214 N GLU A 28 5.578 5.658 0.314 1.00 0.00 N ATOM 215 CA GLU A 28 6.941 5.202 0.573 1.00 0.00 C ATOM 216 C GLU A 28 7.482 4.381 -0.590 1.00 0.00 C ATOM 217 O GLU A 28 8.517 3.726 -0.467 1.00 0.00 O ATOM 218 CB GLU A 28 6.982 4.356 1.842 1.00 0.00 C ATOM 219 CG GLU A 28 6.408 5.062 3.056 1.00 0.00 C ATOM 220 CD GLU A 28 7.425 5.224 4.170 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.686 4.233 4.884 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.959 6.342 4.327 1.00 0.00 O ATOM 0 H GLU A 28 4.861 4.950 0.475 1.00 0.00 H new ATOM 0 HA GLU A 28 7.565 6.087 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.428 3.433 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.015 4.075 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.039 6.044 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.552 4.499 3.429 1.00 0.00 H new ATOM 229 N ALA A 29 6.777 4.407 -1.714 1.00 0.00 N ATOM 230 CA ALA A 29 7.199 3.649 -2.884 1.00 0.00 C ATOM 231 C ALA A 29 8.448 4.253 -3.515 1.00 0.00 C ATOM 232 O ALA A 29 8.381 5.267 -4.208 1.00 0.00 O ATOM 233 CB ALA A 29 6.075 3.575 -3.903 1.00 0.00 C ATOM 0 H ALA A 29 5.917 4.941 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 29 7.444 2.639 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.407 3.005 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.210 3.084 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.799 4.583 -4.214 1.00 0.00 H new ATOM 239 N LEU A 30 9.588 3.613 -3.274 1.00 0.00 N ATOM 240 CA LEU A 30 10.855 4.077 -3.822 1.00 0.00 C ATOM 241 C LEU A 30 11.300 3.183 -4.973 1.00 0.00 C ATOM 242 O LEU A 30 12.253 3.499 -5.686 1.00 0.00 O ATOM 243 CB LEU A 30 11.929 4.103 -2.731 1.00 0.00 C ATOM 244 CG LEU A 30 11.443 4.549 -1.349 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.500 4.265 -0.294 1.00 0.00 C ATOM 246 CD2 LEU A 30 11.084 6.028 -1.362 1.00 0.00 C ATOM 0 H LEU A 30 9.659 2.771 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 30 10.714 5.089 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.359 3.105 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.731 4.769 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 30 10.548 3.980 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.137 4.589 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.709 3.196 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.413 4.807 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.741 6.328 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.962 6.613 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.291 6.204 -2.089 1.00 0.00 H new ATOM 258 N GLU A 31 10.601 2.063 -5.149 1.00 0.00 N ATOM 259 CA GLU A 31 10.927 1.122 -6.219 1.00 0.00 C ATOM 260 C GLU A 31 9.929 1.234 -7.370 1.00 0.00 C ATOM 261 O GLU A 31 8.775 1.610 -7.168 1.00 0.00 O ATOM 262 CB GLU A 31 10.946 -0.311 -5.682 1.00 0.00 C ATOM 263 CG GLU A 31 12.112 -1.138 -6.203 1.00 0.00 C ATOM 264 CD GLU A 31 11.665 -2.272 -7.104 1.00 0.00 C ATOM 265 OE1 GLU A 31 11.356 -3.363 -6.579 1.00 0.00 O ATOM 266 OE2 GLU A 31 11.624 -2.071 -8.336 1.00 0.00 O ATOM 0 H GLU A 31 9.810 1.786 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 31 11.918 1.374 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.989 -0.282 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.012 -0.804 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.795 -0.490 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.668 -1.547 -5.360 1.00 0.00 H new ATOM 273 N GLU A 32 10.383 0.902 -8.577 1.00 0.00 N ATOM 274 CA GLU A 32 9.529 0.964 -9.760 1.00 0.00 C ATOM 275 C GLU A 32 8.464 -0.125 -9.720 1.00 0.00 C ATOM 276 O GLU A 32 7.388 0.021 -10.302 1.00 0.00 O ATOM 277 CB GLU A 32 10.364 0.832 -11.038 1.00 0.00 C ATOM 278 CG GLU A 32 11.481 -0.195 -10.937 1.00 0.00 C ATOM 279 CD GLU A 32 12.838 0.442 -10.707 1.00 0.00 C ATOM 280 OE1 GLU A 32 12.926 1.367 -9.871 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.813 0.017 -11.362 1.00 0.00 O ATOM 0 H GLU A 32 11.336 0.588 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 32 9.033 1.935 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.707 0.560 -11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.796 1.803 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.264 -0.884 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.511 -0.785 -11.853 1.00 0.00 H new ATOM 288 N ASP A 33 8.768 -1.218 -9.026 1.00 0.00 N ATOM 289 CA ASP A 33 7.837 -2.334 -8.903 1.00 0.00 C ATOM 290 C ASP A 33 6.781 -2.038 -7.842 1.00 0.00 C ATOM 291 O ASP A 33 5.891 -2.850 -7.592 1.00 0.00 O ATOM 292 CB ASP A 33 8.588 -3.616 -8.541 1.00 0.00 C ATOM 293 CG ASP A 33 8.602 -4.620 -9.678 1.00 0.00 C ATOM 294 OD1 ASP A 33 7.541 -4.825 -10.303 1.00 0.00 O ATOM 295 OD2 ASP A 33 9.676 -5.202 -9.941 1.00 0.00 O ATOM 0 H ASP A 33 9.654 -1.354 -8.539 1.00 0.00 H new ATOM 0 HA ASP A 33 7.341 -2.471 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.613 -3.368 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.125 -4.070 -7.665 1.00 0.00 H new ATOM 300 N GLU A 34 6.893 -0.868 -7.219 1.00 0.00 N ATOM 301 CA GLU A 34 5.956 -0.461 -6.180 1.00 0.00 C ATOM 302 C GLU A 34 4.987 0.596 -6.697 1.00 0.00 C ATOM 303 O GLU A 34 5.108 1.067 -7.828 1.00 0.00 O ATOM 304 CB GLU A 34 6.716 0.079 -4.967 1.00 0.00 C ATOM 305 CG GLU A 34 7.606 -0.955 -4.297 1.00 0.00 C ATOM 306 CD GLU A 34 8.632 -0.332 -3.370 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.540 0.887 -3.115 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.527 -1.064 -2.898 1.00 0.00 O ATOM 0 H GLU A 34 7.625 -0.185 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 34 5.380 -1.338 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.328 0.925 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.999 0.456 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.986 -1.650 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.120 -1.537 -5.062 1.00 0.00 H new ATOM 315 N LEU A 35 4.029 0.966 -5.855 1.00 0.00 N ATOM 316 CA LEU A 35 3.037 1.970 -6.212 1.00 0.00 C ATOM 317 C LEU A 35 3.047 3.113 -5.207 1.00 0.00 C ATOM 318 O LEU A 35 3.183 2.892 -4.002 1.00 0.00 O ATOM 319 CB LEU A 35 1.645 1.335 -6.289 1.00 0.00 C ATOM 320 CG LEU A 35 0.646 1.773 -5.211 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.341 2.775 -5.784 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.085 0.566 -4.643 1.00 0.00 C ATOM 0 H LEU A 35 3.919 0.583 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 35 3.290 2.375 -7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.218 1.561 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.758 0.252 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 35 1.195 2.253 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.044 3.077 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.198 3.650 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.886 2.317 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.790 0.894 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.625 0.059 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.636 -0.121 -4.200 1.00 0.00 H new ATOM 334 N GLY A 36 2.908 4.334 -5.706 1.00 0.00 N ATOM 335 CA GLY A 36 2.915 5.483 -4.833 1.00 0.00 C ATOM 336 C GLY A 36 1.589 6.216 -4.791 1.00 0.00 C ATOM 337 O GLY A 36 1.042 6.590 -5.828 1.00 0.00 O ATOM 0 H GLY A 36 2.791 4.545 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.176 5.162 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.693 6.173 -5.159 1.00 0.00 H new ATOM 341 N PHE A 37 1.081 6.427 -3.581 1.00 0.00 N ATOM 342 CA PHE A 37 -0.181 7.129 -3.385 1.00 0.00 C ATOM 343 C PHE A 37 0.046 8.467 -2.695 1.00 0.00 C ATOM 344 O PHE A 37 1.184 8.881 -2.473 1.00 0.00 O ATOM 345 CB PHE A 37 -1.146 6.294 -2.543 1.00 0.00 C ATOM 346 CG PHE A 37 -0.477 5.324 -1.612 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.448 5.764 -0.678 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.780 3.974 -1.665 1.00 0.00 C ATOM 349 CE1 PHE A 37 1.057 4.874 0.185 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.174 3.080 -0.805 1.00 0.00 C ATOM 351 CZ PHE A 37 0.746 3.531 0.121 1.00 0.00 C ATOM 0 H PHE A 37 1.528 6.119 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.616 7.298 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.774 6.966 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.807 5.741 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.695 6.814 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.499 3.616 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.776 5.229 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.419 2.029 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.222 2.833 0.794 1.00 0.00 H new ATOM 361 N ARG A 38 -1.049 9.135 -2.348 1.00 0.00 N ATOM 362 CA ARG A 38 -0.973 10.424 -1.670 1.00 0.00 C ATOM 363 C ARG A 38 -1.857 10.435 -0.426 1.00 0.00 C ATOM 364 O ARG A 38 -2.644 9.515 -0.205 1.00 0.00 O ATOM 365 CB ARG A 38 -1.391 11.550 -2.614 1.00 0.00 C ATOM 366 CG ARG A 38 -0.715 11.486 -3.974 1.00 0.00 C ATOM 367 CD ARG A 38 -0.443 12.876 -4.524 1.00 0.00 C ATOM 368 NE ARG A 38 -1.170 13.122 -5.765 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.282 13.851 -5.837 1.00 0.00 C ATOM 370 NH1 ARG A 38 -2.785 14.409 -4.745 1.00 0.00 N ATOM 371 NH2 ARG A 38 -2.890 14.020 -7.004 1.00 0.00 N ATOM 0 H ARG A 38 -1.998 8.806 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 38 0.061 10.583 -1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.472 11.514 -2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.161 12.508 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.223 10.936 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.347 10.935 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.728 13.622 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.626 12.994 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.806 12.713 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.320 14.281 -3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.637 14.967 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.506 13.591 -7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.742 14.578 -7.059 1.00 0.00 H new ATOM 385 N SER A 39 -1.722 11.483 0.382 1.00 0.00 N ATOM 386 CA SER A 39 -2.511 11.615 1.602 1.00 0.00 C ATOM 387 C SER A 39 -4.005 11.580 1.288 1.00 0.00 C ATOM 388 O SER A 39 -4.437 12.041 0.232 1.00 0.00 O ATOM 389 CB SER A 39 -2.158 12.917 2.325 1.00 0.00 C ATOM 390 OG SER A 39 -3.244 13.374 3.113 1.00 0.00 O ATOM 0 H SER A 39 -1.074 12.252 0.214 1.00 0.00 H new ATOM 0 HA SER A 39 -2.275 10.773 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.286 12.759 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.888 13.680 1.595 1.00 0.00 H new ATOM 0 HG SER A 39 -2.992 14.206 3.566 1.00 0.00 H new ATOM 396 N GLY A 40 -4.785 11.027 2.214 1.00 0.00 N ATOM 397 CA GLY A 40 -6.223 10.936 2.027 1.00 0.00 C ATOM 398 C GLY A 40 -6.606 10.250 0.728 1.00 0.00 C ATOM 399 O GLY A 40 -7.410 10.777 -0.042 1.00 0.00 O ATOM 0 H GLY A 40 -4.445 10.639 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.659 10.390 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.651 11.938 2.043 1.00 0.00 H new ATOM 403 N GLU A 41 -6.031 9.075 0.480 1.00 0.00 N ATOM 404 CA GLU A 41 -6.324 8.329 -0.741 1.00 0.00 C ATOM 405 C GLU A 41 -6.705 6.885 -0.436 1.00 0.00 C ATOM 406 O GLU A 41 -6.225 6.295 0.530 1.00 0.00 O ATOM 407 CB GLU A 41 -5.120 8.361 -1.683 1.00 0.00 C ATOM 408 CG GLU A 41 -4.980 9.666 -2.450 1.00 0.00 C ATOM 409 CD GLU A 41 -5.881 9.727 -3.668 1.00 0.00 C ATOM 410 OE1 GLU A 41 -7.095 9.470 -3.522 1.00 0.00 O ATOM 411 OE2 GLU A 41 -5.373 10.030 -4.768 1.00 0.00 O ATOM 0 H GLU A 41 -5.364 8.622 1.104 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.175 8.808 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.212 8.191 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.204 7.539 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.214 10.499 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.943 9.789 -2.763 1.00 0.00 H new ATOM 418 N VAL A 42 -7.571 6.321 -1.276 1.00 0.00 N ATOM 419 CA VAL A 42 -8.020 4.942 -1.109 1.00 0.00 C ATOM 420 C VAL A 42 -7.420 4.042 -2.183 1.00 0.00 C ATOM 421 O VAL A 42 -7.382 4.403 -3.360 1.00 0.00 O ATOM 422 CB VAL A 42 -9.556 4.837 -1.167 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.017 3.461 -0.711 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.201 5.928 -0.325 1.00 0.00 C ATOM 0 H VAL A 42 -7.976 6.800 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.681 4.614 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.870 4.976 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.105 3.407 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.587 2.699 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.690 3.289 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.286 5.836 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.880 5.825 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.900 6.905 -0.703 1.00 0.00 H new ATOM 434 N VAL A 43 -6.943 2.873 -1.769 1.00 0.00 N ATOM 435 CA VAL A 43 -6.335 1.923 -2.693 1.00 0.00 C ATOM 436 C VAL A 43 -6.919 0.524 -2.516 1.00 0.00 C ATOM 437 O VAL A 43 -7.150 0.081 -1.395 1.00 0.00 O ATOM 438 CB VAL A 43 -4.809 1.855 -2.487 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.169 0.909 -3.489 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.194 3.243 -2.584 1.00 0.00 C ATOM 0 H VAL A 43 -6.966 2.561 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.552 2.276 -3.701 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.617 1.465 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.092 0.878 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.585 -0.091 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.371 1.260 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.116 3.175 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.399 3.664 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.625 3.887 -1.817 1.00 0.00 H new ATOM 450 N GLU A 44 -7.140 -0.175 -3.625 1.00 0.00 N ATOM 451 CA GLU A 44 -7.677 -1.530 -3.570 1.00 0.00 C ATOM 452 C GLU A 44 -6.538 -2.539 -3.491 1.00 0.00 C ATOM 453 O GLU A 44 -5.795 -2.727 -4.456 1.00 0.00 O ATOM 454 CB GLU A 44 -8.556 -1.818 -4.790 1.00 0.00 C ATOM 455 CG GLU A 44 -9.326 -3.124 -4.688 1.00 0.00 C ATOM 456 CD GLU A 44 -10.433 -3.231 -5.720 1.00 0.00 C ATOM 457 OE1 GLU A 44 -11.056 -2.194 -6.033 1.00 0.00 O ATOM 458 OE2 GLU A 44 -10.677 -4.351 -6.214 1.00 0.00 O ATOM 0 H GLU A 44 -6.957 0.172 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.295 -1.620 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.262 -0.998 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.929 -1.844 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.636 -3.959 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.755 -3.211 -3.690 1.00 0.00 H new ATOM 465 N VAL A 45 -6.399 -3.179 -2.335 1.00 0.00 N ATOM 466 CA VAL A 45 -5.340 -4.160 -2.130 1.00 0.00 C ATOM 467 C VAL A 45 -5.715 -5.501 -2.746 1.00 0.00 C ATOM 468 O VAL A 45 -6.860 -5.945 -2.649 1.00 0.00 O ATOM 469 CB VAL A 45 -5.025 -4.350 -0.633 1.00 0.00 C ATOM 470 CG1 VAL A 45 -4.066 -5.512 -0.421 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.452 -3.070 -0.046 1.00 0.00 C ATOM 0 H VAL A 45 -7.005 -3.036 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.448 -3.776 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.956 -4.584 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.860 -5.624 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.515 -6.429 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.134 -5.316 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.235 -3.220 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.534 -2.808 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.176 -2.263 -0.157 1.00 0.00 H new ATOM 481 N LEU A 46 -4.741 -6.134 -3.392 1.00 0.00 N ATOM 482 CA LEU A 46 -4.960 -7.419 -4.042 1.00 0.00 C ATOM 483 C LEU A 46 -4.246 -8.547 -3.301 1.00 0.00 C ATOM 484 O LEU A 46 -4.586 -9.719 -3.466 1.00 0.00 O ATOM 485 CB LEU A 46 -4.478 -7.354 -5.492 1.00 0.00 C ATOM 486 CG LEU A 46 -5.589 -7.307 -6.544 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.008 -7.009 -7.918 1.00 0.00 C ATOM 488 CD2 LEU A 46 -6.363 -8.618 -6.562 1.00 0.00 C ATOM 0 H LEU A 46 -3.790 -5.776 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.029 -7.632 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.849 -6.472 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.849 -8.222 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.279 -6.505 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.811 -6.979 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.499 -6.045 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.296 -7.789 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.149 -8.566 -7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.685 -9.438 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.810 -8.790 -5.583 1.00 0.00 H new ATOM 500 N ASP A 47 -3.253 -8.194 -2.487 1.00 0.00 N ATOM 501 CA ASP A 47 -2.500 -9.191 -1.731 1.00 0.00 C ATOM 502 C ASP A 47 -1.993 -8.627 -0.406 1.00 0.00 C ATOM 503 O ASP A 47 -0.864 -8.147 -0.315 1.00 0.00 O ATOM 504 CB ASP A 47 -1.325 -9.709 -2.562 1.00 0.00 C ATOM 505 CG ASP A 47 -1.277 -11.223 -2.612 1.00 0.00 C ATOM 506 OD1 ASP A 47 -0.893 -11.840 -1.596 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.627 -11.793 -3.667 1.00 0.00 O ATOM 0 H ASP A 47 -2.953 -7.231 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.176 -10.016 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.400 -9.317 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.392 -9.332 -2.142 1.00 0.00 H new ATOM 512 N SER A 48 -2.832 -8.702 0.623 1.00 0.00 N ATOM 513 CA SER A 48 -2.473 -8.215 1.952 1.00 0.00 C ATOM 514 C SER A 48 -1.639 -9.236 2.690 1.00 0.00 C ATOM 515 O SER A 48 -1.213 -8.992 3.819 1.00 0.00 O ATOM 516 CB SER A 48 -3.729 -7.882 2.758 1.00 0.00 C ATOM 517 OG SER A 48 -4.842 -7.671 1.906 1.00 0.00 O ATOM 0 H SER A 48 -3.770 -9.098 0.562 1.00 0.00 H new ATOM 0 HA SER A 48 -1.882 -7.307 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.946 -8.695 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.553 -6.990 3.359 1.00 0.00 H new ATOM 0 HG SER A 48 -5.632 -7.461 2.446 1.00 0.00 H new ATOM 523 N SER A 49 -1.376 -10.373 2.056 1.00 0.00 N ATOM 524 CA SER A 49 -0.558 -11.368 2.706 1.00 0.00 C ATOM 525 C SER A 49 0.887 -10.907 2.667 1.00 0.00 C ATOM 526 O SER A 49 1.492 -10.805 1.600 1.00 0.00 O ATOM 527 CB SER A 49 -0.706 -12.726 2.015 1.00 0.00 C ATOM 528 OG SER A 49 0.530 -13.418 1.974 1.00 0.00 O ATOM 0 H SER A 49 -1.708 -10.617 1.123 1.00 0.00 H new ATOM 0 HA SER A 49 -0.880 -11.487 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.445 -13.328 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.079 -12.582 1.001 1.00 0.00 H new ATOM 0 HG SER A 49 0.406 -14.282 1.529 1.00 0.00 H new ATOM 534 N ASN A 50 1.406 -10.623 3.853 1.00 0.00 N ATOM 535 CA ASN A 50 2.770 -10.143 4.053 1.00 0.00 C ATOM 536 C ASN A 50 2.856 -9.468 5.417 1.00 0.00 C ATOM 537 O ASN A 50 1.834 -9.072 5.977 1.00 0.00 O ATOM 538 CB ASN A 50 3.153 -9.145 2.966 1.00 0.00 C ATOM 539 CG ASN A 50 4.052 -9.739 1.904 1.00 0.00 C ATOM 540 OD1 ASN A 50 5.034 -10.418 2.206 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.714 -9.480 0.646 1.00 0.00 N ATOM 0 H ASN A 50 0.882 -10.721 4.722 1.00 0.00 H new ATOM 0 HA ASN A 50 3.458 -10.987 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.247 -8.765 2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.656 -8.293 3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.278 -9.849 -0.120 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.891 -8.912 0.446 1.00 0.00 H new ATOM 548 N PRO A 51 4.060 -9.345 5.997 1.00 0.00 N ATOM 549 CA PRO A 51 4.225 -8.743 7.311 1.00 0.00 C ATOM 550 C PRO A 51 4.498 -7.239 7.288 1.00 0.00 C ATOM 551 O PRO A 51 4.699 -6.638 8.344 1.00 0.00 O ATOM 552 CB PRO A 51 5.435 -9.494 7.850 1.00 0.00 C ATOM 553 CG PRO A 51 6.277 -9.776 6.644 1.00 0.00 C ATOM 554 CD PRO A 51 5.345 -9.814 5.452 1.00 0.00 C ATOM 0 HA PRO A 51 3.316 -8.824 7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.979 -8.896 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.138 -10.416 8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.036 -9.005 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.802 -10.725 6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.698 -9.169 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.262 -10.820 5.041 1.00 0.00 H new ATOM 562 N SER A 52 4.511 -6.623 6.107 1.00 0.00 N ATOM 563 CA SER A 52 4.771 -5.186 6.031 1.00 0.00 C ATOM 564 C SER A 52 4.501 -4.606 4.645 1.00 0.00 C ATOM 565 O SER A 52 4.009 -3.486 4.528 1.00 0.00 O ATOM 566 CB SER A 52 6.215 -4.891 6.433 1.00 0.00 C ATOM 567 OG SER A 52 6.266 -4.105 7.611 1.00 0.00 O ATOM 0 H SER A 52 4.349 -7.082 5.211 1.00 0.00 H new ATOM 0 HA SER A 52 4.080 -4.707 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.750 -5.827 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.722 -4.369 5.622 1.00 0.00 H new ATOM 0 HG SER A 52 5.808 -4.576 8.339 1.00 0.00 H new ATOM 573 N TRP A 53 4.839 -5.350 3.597 1.00 0.00 N ATOM 574 CA TRP A 53 4.636 -4.864 2.235 1.00 0.00 C ATOM 575 C TRP A 53 3.595 -5.690 1.489 1.00 0.00 C ATOM 576 O TRP A 53 3.824 -6.860 1.186 1.00 0.00 O ATOM 577 CB TRP A 53 5.957 -4.893 1.463 1.00 0.00 C ATOM 578 CG TRP A 53 6.789 -3.659 1.635 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.697 -3.415 2.623 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.797 -2.505 0.787 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.268 -2.178 2.444 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.731 -1.599 1.323 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.104 -2.149 -0.373 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.991 -0.362 0.738 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.362 -0.920 -0.952 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.298 -0.040 -0.396 1.00 0.00 C ATOM 0 H TRP A 53 5.250 -6.281 3.661 1.00 0.00 H new ATOM 0 HA TRP A 53 4.270 -3.840 2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.536 -5.758 1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.744 -5.031 0.403 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.933 -4.095 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.976 -1.759 3.047 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.380 -2.821 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.714 0.318 1.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.832 -0.634 -1.849 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.476 0.913 -0.872 1.00 0.00 H new ATOM 597 N TRP A 54 2.462 -5.070 1.168 1.00 0.00 N ATOM 598 CA TRP A 54 1.407 -5.755 0.429 1.00 0.00 C ATOM 599 C TRP A 54 1.295 -5.195 -0.985 1.00 0.00 C ATOM 600 O TRP A 54 1.435 -3.991 -1.197 1.00 0.00 O ATOM 601 CB TRP A 54 0.044 -5.624 1.119 1.00 0.00 C ATOM 602 CG TRP A 54 0.042 -5.905 2.590 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.910 -6.693 3.278 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.898 -5.410 3.550 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.566 -6.731 4.605 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.538 -5.943 4.800 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.010 -4.564 3.473 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.249 -5.661 5.964 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.714 -4.284 4.629 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.331 -4.830 5.860 1.00 0.00 C ATOM 0 H TRP A 54 2.252 -4.101 1.407 1.00 0.00 H new ATOM 0 HA TRP A 54 1.681 -6.810 0.395 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.330 -4.613 0.958 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.657 -6.304 0.635 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.750 -7.214 2.842 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.053 -7.260 5.329 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.312 -4.138 2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.957 -6.083 6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.574 -3.633 4.582 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.901 -4.590 6.745 1.00 0.00 H new ATOM 621 N THR A 55 1.032 -6.073 -1.948 1.00 0.00 N ATOM 622 CA THR A 55 0.892 -5.658 -3.338 1.00 0.00 C ATOM 623 C THR A 55 -0.541 -5.224 -3.639 1.00 0.00 C ATOM 624 O THR A 55 -1.472 -6.026 -3.565 1.00 0.00 O ATOM 625 CB THR A 55 1.288 -6.788 -4.306 1.00 0.00 C ATOM 626 OG1 THR A 55 2.482 -7.431 -3.845 1.00 0.00 O ATOM 627 CG2 THR A 55 1.510 -6.243 -5.710 1.00 0.00 C ATOM 0 H THR A 55 0.912 -7.074 -1.791 1.00 0.00 H new ATOM 0 HA THR A 55 1.565 -4.813 -3.485 1.00 0.00 H new ATOM 0 HB THR A 55 0.474 -7.512 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.727 -8.150 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.789 -7.059 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.592 -5.778 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.308 -5.501 -5.690 1.00 0.00 H new ATOM 635 N GLY A 56 -0.704 -3.951 -3.984 1.00 0.00 N ATOM 636 CA GLY A 56 -2.020 -3.422 -4.299 1.00 0.00 C ATOM 637 C GLY A 56 -1.975 -2.452 -5.463 1.00 0.00 C ATOM 638 O GLY A 56 -0.911 -2.210 -6.028 1.00 0.00 O ATOM 0 H GLY A 56 0.055 -3.273 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.694 -4.244 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.428 -2.919 -3.423 1.00 0.00 H new ATOM 642 N ARG A 57 -3.125 -1.897 -5.833 1.00 0.00 N ATOM 643 CA ARG A 57 -3.176 -0.956 -6.948 1.00 0.00 C ATOM 644 C ARG A 57 -4.117 0.214 -6.667 1.00 0.00 C ATOM 645 O ARG A 57 -5.249 0.026 -6.220 1.00 0.00 O ATOM 646 CB ARG A 57 -3.597 -1.677 -8.230 1.00 0.00 C ATOM 647 CG ARG A 57 -4.862 -2.506 -8.076 1.00 0.00 C ATOM 648 CD ARG A 57 -5.688 -2.503 -9.353 1.00 0.00 C ATOM 649 NE ARG A 57 -6.262 -3.815 -9.639 1.00 0.00 N ATOM 650 CZ ARG A 57 -7.557 -4.097 -9.518 1.00 0.00 C ATOM 651 NH1 ARG A 57 -8.409 -3.164 -9.119 1.00 0.00 N ATOM 652 NH2 ARG A 57 -7.998 -5.316 -9.797 1.00 0.00 N ATOM 0 H ARG A 57 -4.023 -2.079 -5.385 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.174 -0.547 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.750 -0.940 -9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.784 -2.327 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.597 -3.531 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.459 -2.111 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.489 -1.769 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.061 -2.192 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.635 -4.557 -9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.073 -2.225 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.401 -3.384 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.345 -6.037 -10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.990 -5.533 -9.704 1.00 0.00 H new ATOM 666 N LEU A 58 -3.633 1.424 -6.947 1.00 0.00 N ATOM 667 CA LEU A 58 -4.412 2.644 -6.745 1.00 0.00 C ATOM 668 C LEU A 58 -5.006 3.107 -8.070 1.00 0.00 C ATOM 669 O LEU A 58 -4.272 3.439 -9.000 1.00 0.00 O ATOM 670 CB LEU A 58 -3.519 3.743 -6.157 1.00 0.00 C ATOM 671 CG LEU A 58 -4.162 5.129 -6.039 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.726 5.812 -4.753 1.00 0.00 C ATOM 673 CD2 LEU A 58 -3.806 5.987 -7.244 1.00 0.00 C ATOM 0 H LEU A 58 -2.696 1.585 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.223 2.436 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.192 3.429 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.625 3.829 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.244 5.004 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.193 6.795 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.030 5.207 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.642 5.924 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.271 6.967 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.724 6.103 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.168 5.506 -8.153 1.00 0.00 H new ATOM 685 N HIS A 59 -6.336 3.117 -8.153 1.00 0.00 N ATOM 686 CA HIS A 59 -7.028 3.526 -9.375 1.00 0.00 C ATOM 687 C HIS A 59 -6.743 2.538 -10.504 1.00 0.00 C ATOM 688 O HIS A 59 -7.517 1.609 -10.736 1.00 0.00 O ATOM 689 CB HIS A 59 -6.606 4.940 -9.791 1.00 0.00 C ATOM 690 CG HIS A 59 -7.342 6.026 -9.069 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.305 6.810 -9.671 1.00 0.00 N ATOM 692 CD2 HIS A 59 -7.251 6.462 -7.790 1.00 0.00 C ATOM 693 CE1 HIS A 59 -8.773 7.680 -8.794 1.00 0.00 C ATOM 694 NE2 HIS A 59 -8.151 7.489 -7.646 1.00 0.00 N ATOM 0 H HIS A 59 -6.956 2.847 -7.389 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.099 3.531 -9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.537 5.058 -9.613 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.765 5.056 -10.863 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.593 6.074 -7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.535 8.421 -8.984 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.313 8.019 -6.790 1.00 0.00 H new ATOM 703 N ASN A 60 -5.624 2.739 -11.197 1.00 0.00 N ATOM 704 CA ASN A 60 -5.233 1.859 -12.295 1.00 0.00 C ATOM 705 C ASN A 60 -3.729 1.600 -12.275 1.00 0.00 C ATOM 706 O ASN A 60 -3.170 1.046 -13.222 1.00 0.00 O ATOM 707 CB ASN A 60 -5.643 2.468 -13.639 1.00 0.00 C ATOM 708 CG ASN A 60 -6.693 1.641 -14.357 1.00 0.00 C ATOM 709 OD1 ASN A 60 -7.142 0.610 -13.853 1.00 0.00 O ATOM 710 ND2 ASN A 60 -7.091 2.092 -15.540 1.00 0.00 N ATOM 0 H ASN A 60 -4.973 3.503 -11.017 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.749 0.907 -12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.028 3.475 -13.476 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.763 2.563 -14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.796 1.580 -16.070 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.692 2.951 -15.919 1.00 0.00 H new ATOM 717 N LYS A 61 -3.082 1.996 -11.183 1.00 0.00 N ATOM 718 CA LYS A 61 -1.645 1.804 -11.025 1.00 0.00 C ATOM 719 C LYS A 61 -1.374 0.660 -10.055 1.00 0.00 C ATOM 720 O LYS A 61 -1.873 0.664 -8.934 1.00 0.00 O ATOM 721 CB LYS A 61 -0.997 3.091 -10.508 1.00 0.00 C ATOM 722 CG LYS A 61 -1.584 4.355 -11.117 1.00 0.00 C ATOM 723 CD LYS A 61 -0.802 5.591 -10.702 1.00 0.00 C ATOM 724 CE LYS A 61 0.385 5.833 -11.620 1.00 0.00 C ATOM 725 NZ LYS A 61 1.082 7.111 -11.305 1.00 0.00 N ATOM 0 H LYS A 61 -3.533 2.454 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.214 1.556 -11.995 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.108 3.134 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.072 3.059 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.583 4.271 -12.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.624 4.460 -10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.459 6.461 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.452 5.474 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.088 5.005 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.045 5.851 -12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.885 7.238 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.419 7.905 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.430 7.084 -10.325 1.00 0.00 H new ATOM 739 N LEU A 62 -0.589 -0.320 -10.492 1.00 0.00 N ATOM 740 CA LEU A 62 -0.273 -1.471 -9.651 1.00 0.00 C ATOM 741 C LEU A 62 1.137 -1.376 -9.081 1.00 0.00 C ATOM 742 O LEU A 62 2.046 -0.850 -9.725 1.00 0.00 O ATOM 743 CB LEU A 62 -0.421 -2.770 -10.448 1.00 0.00 C ATOM 744 CG LEU A 62 -1.439 -2.723 -11.589 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.732 -2.571 -12.926 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.306 -3.973 -11.582 1.00 0.00 C ATOM 0 H LEU A 62 -0.162 -0.341 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.978 -1.474 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.552 -3.036 -10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.705 -3.568 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.084 -1.857 -11.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.471 -2.539 -13.727 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.154 -1.647 -12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.064 -3.418 -13.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.024 -3.922 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.676 -4.854 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.840 -4.040 -10.634 1.00 0.00 H new ATOM 758 N GLY A 63 1.310 -1.898 -7.870 1.00 0.00 N ATOM 759 CA GLY A 63 2.607 -1.874 -7.227 1.00 0.00 C ATOM 760 C GLY A 63 2.530 -2.161 -5.738 1.00 0.00 C ATOM 761 O GLY A 63 1.447 -2.159 -5.154 1.00 0.00 O ATOM 0 H GLY A 63 0.570 -2.338 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.256 -2.610 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.066 -0.897 -7.381 1.00 0.00 H new ATOM 765 N LEU A 64 3.682 -2.408 -5.123 1.00 0.00 N ATOM 766 CA LEU A 64 3.743 -2.699 -3.693 1.00 0.00 C ATOM 767 C LEU A 64 3.679 -1.411 -2.876 1.00 0.00 C ATOM 768 O LEU A 64 4.148 -0.364 -3.317 1.00 0.00 O ATOM 769 CB LEU A 64 5.022 -3.473 -3.359 1.00 0.00 C ATOM 770 CG LEU A 64 5.759 -4.071 -4.562 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.162 -4.503 -4.168 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.980 -5.245 -5.136 1.00 0.00 C ATOM 0 H LEU A 64 4.588 -2.413 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 64 2.882 -3.315 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.703 -2.806 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.770 -4.280 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 64 5.840 -3.303 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.670 -4.925 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.720 -3.640 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.104 -5.254 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.519 -5.657 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.867 -6.015 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.995 -4.906 -5.458 1.00 0.00 H new ATOM 784 N PHE A 65 3.090 -1.490 -1.684 1.00 0.00 N ATOM 785 CA PHE A 65 2.963 -0.320 -0.819 1.00 0.00 C ATOM 786 C PHE A 65 3.295 -0.663 0.636 1.00 0.00 C ATOM 787 O PHE A 65 3.282 -1.832 1.024 1.00 0.00 O ATOM 788 CB PHE A 65 1.542 0.251 -0.908 1.00 0.00 C ATOM 789 CG PHE A 65 0.572 -0.387 0.045 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.445 0.091 1.338 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.200 -1.470 -0.343 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.428 -0.495 2.226 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.080 -2.061 0.541 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.194 -1.574 1.830 1.00 0.00 C ATOM 0 H PHE A 65 2.695 -2.347 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 65 3.677 0.429 -1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.578 1.323 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.173 0.125 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.039 0.936 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.112 -1.856 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.514 -0.111 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.679 -2.903 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.880 -2.036 2.525 1.00 0.00 H new ATOM 804 N PRO A 66 3.584 0.360 1.468 1.00 0.00 N ATOM 805 CA PRO A 66 3.904 0.164 2.885 1.00 0.00 C ATOM 806 C PRO A 66 2.654 -0.018 3.745 1.00 0.00 C ATOM 807 O PRO A 66 1.916 0.937 3.992 1.00 0.00 O ATOM 808 CB PRO A 66 4.598 1.470 3.248 1.00 0.00 C ATOM 809 CG PRO A 66 3.897 2.480 2.411 1.00 0.00 C ATOM 810 CD PRO A 66 3.618 1.796 1.100 1.00 0.00 C ATOM 0 HA PRO A 66 4.501 -0.732 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.503 1.693 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.664 1.434 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.973 2.809 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.515 3.366 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.672 2.124 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.394 2.005 0.364 1.00 0.00 H new ATOM 818 N ALA A 67 2.419 -1.243 4.198 1.00 0.00 N ATOM 819 CA ALA A 67 1.258 -1.539 5.030 1.00 0.00 C ATOM 820 C ALA A 67 1.360 -0.851 6.389 1.00 0.00 C ATOM 821 O ALA A 67 0.367 -0.722 7.106 1.00 0.00 O ATOM 822 CB ALA A 67 1.104 -3.040 5.207 1.00 0.00 C ATOM 0 H ALA A 67 3.016 -2.047 4.004 1.00 0.00 H new ATOM 0 HA ALA A 67 0.374 -1.151 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.234 -3.245 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.972 -3.510 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.996 -3.443 5.686 1.00 0.00 H new ATOM 828 N ASN A 68 2.565 -0.410 6.737 1.00 0.00 N ATOM 829 CA ASN A 68 2.795 0.267 8.010 1.00 0.00 C ATOM 830 C ASN A 68 2.498 1.758 7.893 1.00 0.00 C ATOM 831 O ASN A 68 2.063 2.391 8.855 1.00 0.00 O ATOM 832 CB ASN A 68 4.239 0.044 8.477 1.00 0.00 C ATOM 833 CG ASN A 68 4.983 1.341 8.748 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.206 1.712 9.900 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.375 2.035 7.684 1.00 0.00 N ATOM 0 H ASN A 68 3.397 -0.509 6.156 1.00 0.00 H new ATOM 0 HA ASN A 68 2.117 -0.157 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.232 -0.561 9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.776 -0.525 7.718 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.882 2.912 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.169 1.691 6.746 1.00 0.00 H new ATOM 842 N TYR A 69 2.741 2.314 6.709 1.00 0.00 N ATOM 843 CA TYR A 69 2.504 3.732 6.470 1.00 0.00 C ATOM 844 C TYR A 69 1.015 4.030 6.358 1.00 0.00 C ATOM 845 O TYR A 69 0.534 5.030 6.892 1.00 0.00 O ATOM 846 CB TYR A 69 3.222 4.186 5.200 1.00 0.00 C ATOM 847 CG TYR A 69 3.857 5.552 5.319 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.887 5.784 6.219 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.427 6.608 4.528 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.473 7.032 6.330 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.006 7.859 4.632 1.00 0.00 C ATOM 852 CZ TYR A 69 5.028 8.065 5.534 1.00 0.00 C ATOM 853 OH TYR A 69 5.607 9.310 5.639 1.00 0.00 O ATOM 0 H TYR A 69 3.101 1.804 5.902 1.00 0.00 H new ATOM 0 HA TYR A 69 2.901 4.284 7.322 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.992 3.457 4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.510 4.196 4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.237 4.976 6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.627 6.450 3.820 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.274 7.196 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.659 8.671 4.010 1.00 0.00 H new ATOM 0 HH TYR A 69 5.178 9.924 5.007 1.00 0.00 H new ATOM 863 N VAL A 70 0.286 3.169 5.653 1.00 0.00 N ATOM 864 CA VAL A 70 -1.148 3.371 5.472 1.00 0.00 C ATOM 865 C VAL A 70 -1.957 2.171 5.970 1.00 0.00 C ATOM 866 O VAL A 70 -1.472 1.040 5.980 1.00 0.00 O ATOM 867 CB VAL A 70 -1.485 3.652 3.991 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.320 4.352 3.310 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.843 2.371 3.252 1.00 0.00 C ATOM 0 H VAL A 70 0.660 2.334 5.202 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.425 4.240 6.070 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.356 4.307 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.571 4.544 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.118 5.297 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.565 3.718 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.075 2.603 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.000 1.681 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.711 1.910 3.723 1.00 0.00 H new ATOM 879 N ALA A 71 -3.195 2.438 6.392 1.00 0.00 N ATOM 880 CA ALA A 71 -4.081 1.390 6.902 1.00 0.00 C ATOM 881 C ALA A 71 -5.319 1.234 6.020 1.00 0.00 C ATOM 882 O ALA A 71 -5.757 2.190 5.380 1.00 0.00 O ATOM 883 CB ALA A 71 -4.486 1.698 8.335 1.00 0.00 C ATOM 0 H ALA A 71 -3.606 3.371 6.390 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.536 0.446 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.145 0.912 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.596 1.749 8.962 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.008 2.654 8.368 1.00 0.00 H new ATOM 889 N PRO A 72 -5.892 0.014 5.955 1.00 0.00 N ATOM 890 CA PRO A 72 -7.070 -0.268 5.125 1.00 0.00 C ATOM 891 C PRO A 72 -8.316 0.504 5.524 1.00 0.00 C ATOM 892 O PRO A 72 -8.309 1.310 6.456 1.00 0.00 O ATOM 893 CB PRO A 72 -7.309 -1.768 5.314 1.00 0.00 C ATOM 894 CG PRO A 72 -6.022 -2.302 5.825 1.00 0.00 C ATOM 895 CD PRO A 72 -5.427 -1.197 6.656 1.00 0.00 C ATOM 0 HA PRO A 72 -6.882 0.035 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.120 -1.952 6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.588 -2.244 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.180 -3.200 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.358 -2.577 5.005 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.779 -1.230 7.687 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.339 -1.255 6.689 1.00 0.00 H new ATOM 903 N MET A 73 -9.384 0.233 4.789 1.00 0.00 N ATOM 904 CA MET A 73 -10.674 0.860 5.003 1.00 0.00 C ATOM 905 C MET A 73 -11.778 -0.179 4.856 1.00 0.00 C ATOM 906 O MET A 73 -12.173 -0.523 3.742 1.00 0.00 O ATOM 907 CB MET A 73 -10.871 1.977 3.979 1.00 0.00 C ATOM 908 CG MET A 73 -11.774 3.101 4.461 1.00 0.00 C ATOM 909 SD MET A 73 -13.376 3.105 3.633 1.00 0.00 S ATOM 910 CE MET A 73 -12.881 3.386 1.934 1.00 0.00 C ATOM 0 H MET A 73 -9.376 -0.436 4.019 1.00 0.00 H new ATOM 0 HA MET A 73 -10.713 1.281 6.007 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.898 2.393 3.717 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.291 1.551 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.925 3.005 5.536 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.279 4.058 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 73 -13.670 3.925 1.410 1.00 0.00 H new ATOM 0 HE2 MET A 73 -11.964 3.975 1.915 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.707 2.429 1.443 1.00 0.00 H new ATOM 920 N MET A 74 -12.263 -0.689 5.981 1.00 0.00 N ATOM 921 CA MET A 74 -13.308 -1.705 5.966 1.00 0.00 C ATOM 922 C MET A 74 -14.644 -1.117 5.527 1.00 0.00 C ATOM 923 O MET A 74 -15.246 -0.312 6.238 1.00 0.00 O ATOM 924 CB MET A 74 -13.440 -2.346 7.347 1.00 0.00 C ATOM 925 CG MET A 74 -14.611 -3.307 7.464 1.00 0.00 C ATOM 926 SD MET A 74 -15.546 -3.079 8.989 1.00 0.00 S ATOM 927 CE MET A 74 -15.538 -4.745 9.643 1.00 0.00 C ATOM 0 H MET A 74 -11.951 -0.417 6.913 1.00 0.00 H new ATOM 0 HA MET A 74 -13.024 -2.470 5.244 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.519 -2.880 7.580 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.550 -1.560 8.094 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.275 -3.170 6.611 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.241 -4.331 7.419 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.080 -4.767 10.589 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.020 -5.417 8.933 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.509 -5.067 9.807 1.00 0.00 H new ATOM 937 N ARG A 75 -15.098 -1.530 4.348 1.00 0.00 N ATOM 938 CA ARG A 75 -16.364 -1.053 3.801 1.00 0.00 C ATOM 939 C ARG A 75 -17.547 -1.620 4.583 1.00 0.00 C ATOM 940 O ARG A 75 -18.666 -1.638 4.030 1.00 0.00 O ATOM 941 CB ARG A 75 -16.480 -1.440 2.326 1.00 0.00 C ATOM 942 CG ARG A 75 -15.466 -0.744 1.435 1.00 0.00 C ATOM 943 CD ARG A 75 -16.008 -0.537 0.030 1.00 0.00 C ATOM 944 NE ARG A 75 -15.214 0.429 -0.725 1.00 0.00 N ATOM 945 CZ ARG A 75 -15.505 1.724 -0.799 1.00 0.00 C ATOM 946 NH1 ARG A 75 -16.562 2.208 -0.159 1.00 0.00 N ATOM 947 NH2 ARG A 75 -14.736 2.537 -1.510 1.00 0.00 N ATOM 948 OXT ARG A 75 -17.344 -2.041 5.742 1.00 0.00 O ATOM 0 H ARG A 75 -14.607 -2.196 3.751 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.384 0.033 3.890 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.355 -2.519 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.484 -1.203 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.200 0.220 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.552 -1.337 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.019 -1.490 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.041 -0.192 0.087 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.391 0.091 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.154 1.586 0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.783 3.202 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.921 2.169 -2.000 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.960 3.531 -1.567 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.113 8.742 13.067 1.00 0.00 N ATOM 964 CA ALA B 76 5.707 8.605 11.713 1.00 0.00 C ATOM 965 C ALA B 76 6.058 7.150 11.412 1.00 0.00 C ATOM 966 O ALA B 76 7.159 6.692 11.719 1.00 0.00 O ATOM 967 CB ALA B 76 6.941 9.485 11.587 1.00 0.00 C ATOM 0 HA ALA B 76 4.966 8.931 10.983 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.366 9.375 10.589 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.663 10.526 11.750 1.00 0.00 H new ATOM 0 HB3 ALA B 76 7.679 9.185 12.331 1.00 0.00 H new ATOM 975 N PRO B 77 5.121 6.403 10.803 1.00 0.00 N ATOM 976 CA PRO B 77 5.333 4.994 10.456 1.00 0.00 C ATOM 977 C PRO B 77 6.560 4.790 9.575 1.00 0.00 C ATOM 978 O PRO B 77 6.734 5.472 8.567 1.00 0.00 O ATOM 979 CB PRO B 77 4.058 4.605 9.694 1.00 0.00 C ATOM 980 CG PRO B 77 3.412 5.894 9.323 1.00 0.00 C ATOM 981 CD PRO B 77 3.785 6.866 10.401 1.00 0.00 C ATOM 0 HA PRO B 77 5.513 4.387 11.343 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.294 4.014 8.809 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.398 3.999 10.315 1.00 0.00 H new ATOM 0 HG2 PRO B 77 3.759 6.239 8.349 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.330 5.783 9.255 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.805 7.892 10.033 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.080 6.840 11.232 1.00 0.00 H new ATOM 989 N SER B 78 7.408 3.845 9.964 1.00 0.00 N ATOM 990 CA SER B 78 8.621 3.548 9.207 1.00 0.00 C ATOM 991 C SER B 78 8.554 2.159 8.598 1.00 0.00 C ATOM 992 O SER B 78 8.369 1.164 9.301 1.00 0.00 O ATOM 993 CB SER B 78 9.855 3.672 10.103 1.00 0.00 C ATOM 994 OG SER B 78 11.048 3.543 9.348 1.00 0.00 O ATOM 0 H SER B 78 7.279 3.271 10.798 1.00 0.00 H new ATOM 0 HA SER B 78 8.700 4.274 8.398 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.844 4.637 10.611 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.825 2.905 10.876 1.00 0.00 H new ATOM 0 HG SER B 78 11.822 3.628 9.943 1.00 0.00 H new ATOM 1000 N ILE B 79 8.696 2.104 7.281 1.00 0.00 N ATOM 1001 CA ILE B 79 8.645 0.844 6.562 1.00 0.00 C ATOM 1002 C ILE B 79 9.986 0.525 5.910 1.00 0.00 C ATOM 1003 O ILE B 79 10.650 1.402 5.356 1.00 0.00 O ATOM 1004 CB ILE B 79 7.522 0.865 5.497 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.463 -0.190 5.834 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.073 0.658 4.089 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.827 -1.596 5.404 1.00 0.00 C ATOM 0 H ILE B 79 8.848 2.921 6.690 1.00 0.00 H new ATOM 0 HA ILE B 79 8.424 0.059 7.286 1.00 0.00 H new ATOM 0 HB ILE B 79 7.057 1.851 5.514 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.291 -0.185 6.910 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.523 0.091 5.359 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.253 0.679 3.371 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.781 1.453 3.855 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.578 -0.306 4.034 1.00 0.00 H new ATOM 0 HD11 ILE B 79 6.025 -2.280 5.680 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.969 -1.621 4.324 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.749 -1.900 5.899 1.00 0.00 H new ATOM 1019 N ASP B 80 10.370 -0.741 5.982 1.00 0.00 N ATOM 1020 CA ASP B 80 11.624 -1.199 5.398 1.00 0.00 C ATOM 1021 C ASP B 80 11.356 -2.022 4.142 1.00 0.00 C ATOM 1022 O ASP B 80 10.581 -2.977 4.170 1.00 0.00 O ATOM 1023 CB ASP B 80 12.408 -2.031 6.413 1.00 0.00 C ATOM 1024 CG ASP B 80 12.841 -1.218 7.618 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.017 -0.431 8.130 1.00 0.00 O ATOM 1026 OD2 ASP B 80 14.003 -1.366 8.048 1.00 0.00 O ATOM 0 H ASP B 80 9.829 -1.473 6.441 1.00 0.00 H new ATOM 0 HA ASP B 80 12.217 -0.327 5.124 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.793 -2.868 6.745 1.00 0.00 H new ATOM 0 HB3 ASP B 80 13.288 -2.454 5.929 1.00 0.00 H new ATOM 1031 N ARG B 81 11.996 -1.644 3.041 1.00 0.00 N ATOM 1032 CA ARG B 81 11.820 -2.347 1.773 1.00 0.00 C ATOM 1033 C ARG B 81 12.485 -3.718 1.806 1.00 0.00 C ATOM 1034 O ARG B 81 12.359 -4.502 0.863 1.00 0.00 O ATOM 1035 CB ARG B 81 12.392 -1.519 0.622 1.00 0.00 C ATOM 1036 CG ARG B 81 11.965 -0.060 0.648 1.00 0.00 C ATOM 1037 CD ARG B 81 11.421 0.392 -0.699 1.00 0.00 C ATOM 1038 NE ARG B 81 12.120 -0.237 -1.818 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.322 0.140 -2.248 1.00 0.00 C ATOM 1040 NH1 ARG B 81 13.959 1.141 -1.654 1.00 0.00 N ATOM 1041 NH2 ARG B 81 13.886 -0.481 -3.274 1.00 0.00 N ATOM 0 H ARG B 81 12.641 -0.855 3.000 1.00 0.00 H new ATOM 0 HA ARG B 81 10.751 -2.489 1.616 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.480 -1.571 0.655 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.080 -1.963 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.203 0.082 1.414 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.816 0.563 0.924 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.359 0.155 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.511 1.475 -0.780 1.00 0.00 H new ATOM 0 HE ARG B 81 11.660 -1.010 -2.298 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.528 1.624 -0.866 1.00 0.00 H new ATOM 0 HH12 ARG B 81 14.880 1.428 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG B 81 13.399 -1.249 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG B 81 14.807 -0.191 -3.602 1.00 0.00 H new ATOM 1055 N SER B 82 13.198 -4.004 2.890 1.00 0.00 N ATOM 1056 CA SER B 82 13.889 -5.280 3.037 1.00 0.00 C ATOM 1057 C SER B 82 12.908 -6.415 3.333 1.00 0.00 C ATOM 1058 O SER B 82 13.318 -7.559 3.534 1.00 0.00 O ATOM 1059 CB SER B 82 14.933 -5.191 4.153 1.00 0.00 C ATOM 1060 OG SER B 82 14.972 -3.891 4.714 1.00 0.00 O ATOM 0 H SER B 82 13.313 -3.369 3.680 1.00 0.00 H new ATOM 0 HA SER B 82 14.387 -5.499 2.093 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.701 -5.919 4.931 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.915 -5.449 3.757 1.00 0.00 H new ATOM 0 HG SER B 82 15.646 -3.862 5.425 1.00 0.00 H new ATOM 1066 N THR B 83 11.615 -6.096 3.362 1.00 0.00 N ATOM 1067 CA THR B 83 10.592 -7.101 3.639 1.00 0.00 C ATOM 1068 C THR B 83 9.479 -7.079 2.589 1.00 0.00 C ATOM 1069 O THR B 83 8.346 -7.476 2.865 1.00 0.00 O ATOM 1070 CB THR B 83 9.978 -6.904 5.039 1.00 0.00 C ATOM 1071 OG1 THR B 83 9.052 -7.959 5.325 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.271 -5.562 5.140 1.00 0.00 C ATOM 0 H THR B 83 11.253 -5.156 3.198 1.00 0.00 H new ATOM 0 HA THR B 83 11.089 -8.071 3.601 1.00 0.00 H new ATOM 0 HB THR B 83 10.788 -6.925 5.768 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.496 -8.129 4.536 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.847 -5.448 6.138 1.00 0.00 H new ATOM 0 HG22 THR B 83 9.985 -4.760 4.956 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.473 -5.514 4.399 1.00 0.00 H new ATOM 1080 N LYS B 84 9.810 -6.622 1.384 1.00 0.00 N ATOM 1081 CA LYS B 84 8.839 -6.558 0.293 1.00 0.00 C ATOM 1082 C LYS B 84 8.313 -7.955 -0.046 1.00 0.00 C ATOM 1083 O LYS B 84 8.919 -8.955 0.340 1.00 0.00 O ATOM 1084 CB LYS B 84 9.480 -5.923 -0.943 1.00 0.00 C ATOM 1085 CG LYS B 84 9.245 -4.423 -1.047 1.00 0.00 C ATOM 1086 CD LYS B 84 10.501 -3.688 -1.489 1.00 0.00 C ATOM 1087 CE LYS B 84 10.851 -4.000 -2.936 1.00 0.00 C ATOM 1088 NZ LYS B 84 12.214 -4.584 -3.063 1.00 0.00 N ATOM 0 H LYS B 84 10.743 -6.290 1.138 1.00 0.00 H new ATOM 0 HA LYS B 84 7.999 -5.943 0.614 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.553 -6.114 -0.925 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.085 -6.407 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.441 -4.229 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.918 -4.038 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.355 -2.614 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.334 -3.968 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS B 84 10.118 -4.696 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.790 -3.088 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.415 -4.783 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.916 -3.910 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 12.265 -5.468 -2.518 1.00 0.00 H new ATOM 1102 N PRO B 85 7.173 -8.049 -0.768 1.00 0.00 N ATOM 1103 CA PRO B 85 6.584 -9.340 -1.143 1.00 0.00 C ATOM 1104 C PRO B 85 7.619 -10.317 -1.684 1.00 0.00 C ATOM 1105 O PRO B 85 8.036 -10.221 -2.839 1.00 0.00 O ATOM 1106 CB PRO B 85 5.585 -8.964 -2.234 1.00 0.00 C ATOM 1107 CG PRO B 85 5.166 -7.576 -1.893 1.00 0.00 C ATOM 1108 CD PRO B 85 6.369 -6.916 -1.273 1.00 0.00 C ATOM 0 HA PRO B 85 6.137 -9.848 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO B 85 6.041 -9.009 -3.223 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.734 -9.645 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.842 -7.037 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.325 -7.582 -1.200 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.923 -6.327 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.083 -6.239 -0.468 1.00 0.00 H new ATOM 1116 N ALA B 86 8.030 -11.256 -0.840 1.00 0.00 N ATOM 1117 CA ALA B 86 9.019 -12.252 -1.228 1.00 0.00 C ATOM 1118 C ALA B 86 8.673 -13.623 -0.654 1.00 0.00 C ATOM 1119 O ALA B 86 9.569 -14.493 -0.621 1.00 0.00 O ATOM 1120 CB ALA B 86 10.406 -11.821 -0.775 1.00 0.00 C ATOM 1121 OXT ALA B 86 7.510 -13.815 -0.241 1.00 0.00 O ATOM 0 H ALA B 86 7.693 -11.348 0.118 1.00 0.00 H new ATOM 0 HA ALA B 86 9.012 -12.332 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA B 86 11.136 -12.574 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.660 -10.868 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.417 -11.712 0.309 1.00 0.00 H new TER 1127 ALA B 86