USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 516 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 51 HIS HD1 : A 51 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 44 MET CE :methyl -140:sc= -4.07! (180deg=-5.74!) USER MOD Set 1.2: A 53 THR OG1 : rot -113:sc= -0.746 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -56:sc= 0.934 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -4.09! C(o=-4.1!,f=-9.4!) USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= 0.0821 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 130:sc= 0.0101 USER MOD Single : A 28 MET CE :methyl -120:sc= 0 (180deg=-2.32!) USER MOD Single : A 33 GLN : amide:sc= -0.659 X(o=-0.66,f=-0.26) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.166 USER MOD Single : A 36 GLN : amide:sc= -0.0562 K(o=-0.056,f=-0.67) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -1.84 USER MOD Single : A 46 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.7!) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.107 (180deg=-0.411) USER MOD Single : A 50 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.13) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 130:sc= -0.957 USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= -0.386 (180deg=-2.21!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.883 36.283 9.891 1.00 0.00 N ATOM 2 CA GLY A 1 39.780 37.731 9.868 1.00 0.00 C ATOM 3 C GLY A 1 38.379 38.217 10.184 1.00 0.00 C ATOM 4 O GLY A 1 37.897 38.055 11.305 1.00 0.00 O ATOM 0 H1 GLY A 1 40.859 36.001 9.669 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.627 35.932 10.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 39.236 35.878 9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.479 38.154 10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.076 38.098 8.885 1.00 0.00 H new ATOM 8 N SER A 2 37.725 38.817 9.195 1.00 0.00 N ATOM 9 CA SER A 2 36.374 39.334 9.375 1.00 0.00 C ATOM 10 C SER A 2 35.356 38.458 8.651 1.00 0.00 C ATOM 11 O SER A 2 34.353 38.044 9.232 1.00 0.00 O ATOM 12 CB SER A 2 36.283 40.772 8.861 1.00 0.00 C ATOM 13 OG SER A 2 35.024 41.345 9.169 1.00 0.00 O ATOM 0 H SER A 2 38.109 38.957 8.261 1.00 0.00 H new ATOM 0 HA SER A 2 36.146 39.321 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.077 41.371 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 36.439 40.786 7.782 1.00 0.00 H new ATOM 0 HG SER A 2 34.992 42.264 8.831 1.00 0.00 H new ATOM 19 N SER A 3 35.622 38.180 7.379 1.00 0.00 N ATOM 20 CA SER A 3 34.729 37.356 6.574 1.00 0.00 C ATOM 21 C SER A 3 34.992 35.872 6.815 1.00 0.00 C ATOM 22 O SER A 3 36.050 35.353 6.463 1.00 0.00 O ATOM 23 CB SER A 3 34.901 37.681 5.089 1.00 0.00 C ATOM 24 OG SER A 3 33.880 37.078 4.313 1.00 0.00 O ATOM 0 H SER A 3 36.449 38.514 6.884 1.00 0.00 H new ATOM 0 HA SER A 3 33.704 37.578 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.881 38.761 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.876 37.332 4.748 1.00 0.00 H new ATOM 0 HG SER A 3 34.012 37.302 3.368 1.00 0.00 H new ATOM 30 N GLY A 4 34.020 35.196 7.419 1.00 0.00 N ATOM 31 CA GLY A 4 34.165 33.779 7.698 1.00 0.00 C ATOM 32 C GLY A 4 32.890 33.003 7.435 1.00 0.00 C ATOM 33 O GLY A 4 32.192 33.256 6.453 1.00 0.00 O ATOM 0 H GLY A 4 33.135 35.604 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 34.968 33.371 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.460 33.645 8.739 1.00 0.00 H new ATOM 37 N SER A 5 32.585 32.053 8.314 1.00 0.00 N ATOM 38 CA SER A 5 31.388 31.233 8.169 1.00 0.00 C ATOM 39 C SER A 5 30.170 31.943 8.751 1.00 0.00 C ATOM 40 O SER A 5 29.343 31.329 9.426 1.00 0.00 O ATOM 41 CB SER A 5 31.583 29.882 8.859 1.00 0.00 C ATOM 42 OG SER A 5 30.438 29.062 8.707 1.00 0.00 O ATOM 0 H SER A 5 33.150 31.832 9.134 1.00 0.00 H new ATOM 0 HA SER A 5 31.217 31.068 7.105 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.453 29.378 8.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 31.785 30.037 9.919 1.00 0.00 H new ATOM 0 HG SER A 5 29.650 29.534 9.048 1.00 0.00 H new ATOM 48 N SER A 6 30.066 33.241 8.484 1.00 0.00 N ATOM 49 CA SER A 6 28.951 34.037 8.985 1.00 0.00 C ATOM 50 C SER A 6 27.647 33.633 8.304 1.00 0.00 C ATOM 51 O SER A 6 27.277 34.185 7.268 1.00 0.00 O ATOM 52 CB SER A 6 29.218 35.526 8.758 1.00 0.00 C ATOM 53 OG SER A 6 28.431 36.324 9.625 1.00 0.00 O ATOM 0 H SER A 6 30.740 33.764 7.924 1.00 0.00 H new ATOM 0 HA SER A 6 28.855 33.851 10.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.274 35.738 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.998 35.784 7.722 1.00 0.00 H new ATOM 0 HG SER A 6 28.622 37.271 9.461 1.00 0.00 H new ATOM 59 N GLY A 7 26.953 32.665 8.895 1.00 0.00 N ATOM 60 CA GLY A 7 25.697 32.203 8.332 1.00 0.00 C ATOM 61 C GLY A 7 25.734 30.733 7.963 1.00 0.00 C ATOM 62 O GLY A 7 25.856 30.385 6.789 1.00 0.00 O ATOM 0 H GLY A 7 27.238 32.193 9.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.895 32.374 9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.461 32.791 7.445 1.00 0.00 H new ATOM 66 N GLN A 8 25.629 29.869 8.968 1.00 0.00 N ATOM 67 CA GLN A 8 25.653 28.429 8.743 1.00 0.00 C ATOM 68 C GLN A 8 24.255 27.903 8.435 1.00 0.00 C ATOM 69 O GLN A 8 23.269 28.350 9.022 1.00 0.00 O ATOM 70 CB GLN A 8 26.224 27.710 9.966 1.00 0.00 C ATOM 71 CG GLN A 8 26.694 26.294 9.675 1.00 0.00 C ATOM 72 CD GLN A 8 25.554 25.295 9.641 1.00 0.00 C ATOM 73 OE1 GLN A 8 24.384 25.667 9.745 1.00 0.00 O ATOM 74 NE2 GLN A 8 25.888 24.019 9.495 1.00 0.00 N ATOM 0 H GLN A 8 25.527 30.142 9.946 1.00 0.00 H new ATOM 0 HA GLN A 8 26.293 28.231 7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 8 27.060 28.288 10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 8 25.464 27.678 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 8 27.215 26.278 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 8 27.415 25.991 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 8 26.870 23.755 9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.163 23.302 9.465 1.00 0.00 H new ATOM 83 N LEU A 9 24.177 26.952 7.510 1.00 0.00 N ATOM 84 CA LEU A 9 22.899 26.364 7.124 1.00 0.00 C ATOM 85 C LEU A 9 22.999 24.844 7.049 1.00 0.00 C ATOM 86 O LEU A 9 24.073 24.272 7.239 1.00 0.00 O ATOM 87 CB LEU A 9 22.446 26.923 5.774 1.00 0.00 C ATOM 88 CG LEU A 9 23.369 26.643 4.587 1.00 0.00 C ATOM 89 CD1 LEU A 9 22.613 26.794 3.276 1.00 0.00 C ATOM 90 CD2 LEU A 9 24.575 27.570 4.619 1.00 0.00 C ATOM 0 H LEU A 9 24.983 26.572 7.014 1.00 0.00 H new ATOM 0 HA LEU A 9 22.163 26.624 7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 9 21.461 26.515 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 9 22.329 28.002 5.871 1.00 0.00 H new ATOM 0 HG LEU A 9 23.724 25.615 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 9 23.286 26.591 2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.782 26.089 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 9 22.229 27.811 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 9 25.221 27.357 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 9 24.239 28.606 4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 9 25.130 27.413 5.544 1.00 0.00 H new ATOM 102 N LEU A 10 21.874 24.195 6.770 1.00 0.00 N ATOM 103 CA LEU A 10 21.835 22.741 6.668 1.00 0.00 C ATOM 104 C LEU A 10 21.016 22.302 5.458 1.00 0.00 C ATOM 105 O LEU A 10 20.067 22.977 5.061 1.00 0.00 O ATOM 106 CB LEU A 10 21.246 22.136 7.943 1.00 0.00 C ATOM 107 CG LEU A 10 22.209 21.983 9.121 1.00 0.00 C ATOM 108 CD1 LEU A 10 21.441 21.747 10.412 1.00 0.00 C ATOM 109 CD2 LEU A 10 23.188 20.846 8.865 1.00 0.00 C ATOM 0 H LEU A 10 20.977 24.653 6.610 1.00 0.00 H new ATOM 0 HA LEU A 10 22.857 22.383 6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.409 22.757 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 10 20.841 21.154 7.701 1.00 0.00 H new ATOM 0 HG LEU A 10 22.776 22.908 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.143 21.641 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.781 22.593 10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 10 20.847 20.838 10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.866 20.751 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 10 22.638 19.914 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 10 23.763 21.057 7.963 1.00 0.00 H new ATOM 121 N GLU A 11 21.388 21.165 4.879 1.00 0.00 N ATOM 122 CA GLU A 11 20.687 20.636 3.715 1.00 0.00 C ATOM 123 C GLU A 11 19.252 20.257 4.070 1.00 0.00 C ATOM 124 O GLU A 11 18.980 19.664 5.114 1.00 0.00 O ATOM 125 CB GLU A 11 21.424 19.416 3.158 1.00 0.00 C ATOM 126 CG GLU A 11 21.160 19.167 1.682 1.00 0.00 C ATOM 127 CD GLU A 11 21.913 17.963 1.150 1.00 0.00 C ATOM 128 OE1 GLU A 11 22.194 17.040 1.943 1.00 0.00 O ATOM 129 OE2 GLU A 11 22.222 17.945 -0.060 1.00 0.00 O ATOM 0 H GLU A 11 22.170 20.593 5.197 1.00 0.00 H new ATOM 0 HA GLU A 11 20.662 21.416 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.495 19.549 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.129 18.533 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.091 19.020 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.446 20.051 1.111 1.00 0.00 H new ATOM 136 N PRO A 12 18.310 20.609 3.182 1.00 0.00 N ATOM 137 CA PRO A 12 16.887 20.316 3.380 1.00 0.00 C ATOM 138 C PRO A 12 16.580 18.827 3.264 1.00 0.00 C ATOM 139 O PRO A 12 17.467 18.021 2.985 1.00 0.00 O ATOM 140 CB PRO A 12 16.206 21.093 2.250 1.00 0.00 C ATOM 141 CG PRO A 12 17.248 21.216 1.193 1.00 0.00 C ATOM 142 CD PRO A 12 18.562 21.318 1.917 1.00 0.00 C ATOM 0 HA PRO A 12 16.547 20.599 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.327 20.565 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.869 22.072 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 12 17.234 20.352 0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.074 22.096 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.370 20.855 1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.847 22.356 2.088 1.00 0.00 H new ATOM 150 N ILE A 13 15.318 18.470 3.478 1.00 0.00 N ATOM 151 CA ILE A 13 14.894 17.078 3.396 1.00 0.00 C ATOM 152 C ILE A 13 14.311 16.761 2.023 1.00 0.00 C ATOM 153 O ILE A 13 13.140 17.032 1.758 1.00 0.00 O ATOM 154 CB ILE A 13 13.848 16.743 4.476 1.00 0.00 C ATOM 155 CG1 ILE A 13 14.068 17.611 5.716 1.00 0.00 C ATOM 156 CG2 ILE A 13 13.914 15.267 4.837 1.00 0.00 C ATOM 157 CD1 ILE A 13 13.342 18.937 5.663 1.00 0.00 C ATOM 0 H ILE A 13 14.572 19.126 3.709 1.00 0.00 H new ATOM 0 HA ILE A 13 15.782 16.468 3.561 1.00 0.00 H new ATOM 0 HB ILE A 13 12.856 16.955 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 13 13.739 17.061 6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.136 17.795 5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.169 15.046 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.713 14.666 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 13 14.907 15.030 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.544 19.499 6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.688 19.507 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 13 12.270 18.762 5.575 1.00 0.00 H new ATOM 169 N ARG A 14 15.135 16.185 1.155 1.00 0.00 N ATOM 170 CA ARG A 14 14.701 15.830 -0.191 1.00 0.00 C ATOM 171 C ARG A 14 14.201 14.389 -0.239 1.00 0.00 C ATOM 172 O ARG A 14 13.357 14.042 -1.065 1.00 0.00 O ATOM 173 CB ARG A 14 15.848 16.016 -1.186 1.00 0.00 C ATOM 174 CG ARG A 14 16.437 17.418 -1.182 1.00 0.00 C ATOM 175 CD ARG A 14 17.687 17.499 -2.043 1.00 0.00 C ATOM 176 NE ARG A 14 18.128 18.878 -2.239 1.00 0.00 N ATOM 177 CZ ARG A 14 19.235 19.210 -2.894 1.00 0.00 C ATOM 178 NH1 ARG A 14 20.010 18.267 -3.413 1.00 0.00 N ATOM 179 NH2 ARG A 14 19.569 20.486 -3.031 1.00 0.00 N ATOM 0 H ARG A 14 16.107 15.954 1.359 1.00 0.00 H new ATOM 0 HA ARG A 14 13.879 16.491 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 14 16.636 15.299 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.489 15.785 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.695 18.127 -1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 14 16.678 17.710 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 14 18.487 16.925 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 14 17.490 17.040 -3.012 1.00 0.00 H new ATOM 0 HE ARG A 14 17.554 19.627 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 14 19.756 17.284 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.859 18.524 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 14 18.976 21.214 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.419 20.739 -3.534 1.00 0.00 H new ATOM 193 N ASP A 15 14.727 13.556 0.652 1.00 0.00 N ATOM 194 CA ASP A 15 14.334 12.153 0.712 1.00 0.00 C ATOM 195 C ASP A 15 13.087 11.974 1.572 1.00 0.00 C ATOM 196 O ASP A 15 12.720 10.854 1.927 1.00 0.00 O ATOM 197 CB ASP A 15 15.478 11.304 1.269 1.00 0.00 C ATOM 198 CG ASP A 15 15.976 11.810 2.608 1.00 0.00 C ATOM 199 OD1 ASP A 15 15.141 12.269 3.416 1.00 0.00 O ATOM 200 OD2 ASP A 15 17.200 11.749 2.849 1.00 0.00 O ATOM 0 H ASP A 15 15.427 13.828 1.343 1.00 0.00 H new ATOM 0 HA ASP A 15 14.106 11.822 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.142 10.273 1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.303 11.299 0.556 1.00 0.00 H new ATOM 205 N PHE A 16 12.439 13.086 1.903 1.00 0.00 N ATOM 206 CA PHE A 16 11.234 13.053 2.723 1.00 0.00 C ATOM 207 C PHE A 16 10.111 12.306 2.010 1.00 0.00 C ATOM 208 O PHE A 16 10.202 12.022 0.816 1.00 0.00 O ATOM 209 CB PHE A 16 10.782 14.475 3.061 1.00 0.00 C ATOM 210 CG PHE A 16 9.795 14.538 4.192 1.00 0.00 C ATOM 211 CD1 PHE A 16 10.085 13.955 5.415 1.00 0.00 C ATOM 212 CD2 PHE A 16 8.578 15.181 4.032 1.00 0.00 C ATOM 213 CE1 PHE A 16 9.179 14.011 6.457 1.00 0.00 C ATOM 214 CE2 PHE A 16 7.668 15.240 5.071 1.00 0.00 C ATOM 215 CZ PHE A 16 7.969 14.655 6.285 1.00 0.00 C ATOM 0 H PHE A 16 12.728 14.021 1.616 1.00 0.00 H new ATOM 0 HA PHE A 16 11.468 12.525 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.656 15.074 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.336 14.926 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.030 13.451 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.338 15.641 3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.417 13.552 7.405 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.722 15.743 4.933 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.260 14.701 7.098 1.00 0.00 H new ATOM 225 N GLU A 17 9.053 11.992 2.750 1.00 0.00 N ATOM 226 CA GLU A 17 7.913 11.277 2.189 1.00 0.00 C ATOM 227 C GLU A 17 7.427 11.949 0.907 1.00 0.00 C ATOM 228 O GLU A 17 6.871 13.046 0.942 1.00 0.00 O ATOM 229 CB GLU A 17 6.772 11.211 3.206 1.00 0.00 C ATOM 230 CG GLU A 17 7.165 10.553 4.519 1.00 0.00 C ATOM 231 CD GLU A 17 6.004 10.445 5.488 1.00 0.00 C ATOM 232 OE1 GLU A 17 5.263 11.440 5.638 1.00 0.00 O ATOM 233 OE2 GLU A 17 5.836 9.368 6.096 1.00 0.00 O ATOM 0 H GLU A 17 8.961 12.221 3.740 1.00 0.00 H new ATOM 0 HA GLU A 17 8.235 10.264 1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.417 12.222 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.938 10.662 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.559 9.557 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.968 11.126 4.982 1.00 0.00 H new ATOM 240 N ALA A 18 7.642 11.282 -0.222 1.00 0.00 N ATOM 241 CA ALA A 18 7.226 11.813 -1.514 1.00 0.00 C ATOM 242 C ALA A 18 6.199 10.900 -2.177 1.00 0.00 C ATOM 243 O ALA A 18 5.627 11.243 -3.212 1.00 0.00 O ATOM 244 CB ALA A 18 8.433 12.000 -2.421 1.00 0.00 C ATOM 0 H ALA A 18 8.102 10.373 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 18 6.757 12.783 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.108 12.397 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.131 12.697 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.926 11.040 -2.573 1.00 0.00 H new ATOM 250 N ARG A 19 5.971 9.738 -1.574 1.00 0.00 N ATOM 251 CA ARG A 19 5.015 8.776 -2.108 1.00 0.00 C ATOM 252 C ARG A 19 3.673 8.888 -1.390 1.00 0.00 C ATOM 253 O ARG A 19 3.430 8.206 -0.394 1.00 0.00 O ATOM 254 CB ARG A 19 5.560 7.353 -1.973 1.00 0.00 C ATOM 255 CG ARG A 19 6.361 6.891 -3.179 1.00 0.00 C ATOM 256 CD ARG A 19 6.432 5.374 -3.253 1.00 0.00 C ATOM 257 NE ARG A 19 7.207 4.808 -2.151 1.00 0.00 N ATOM 258 CZ ARG A 19 8.530 4.694 -2.165 1.00 0.00 C ATOM 259 NH1 ARG A 19 9.223 5.104 -3.218 1.00 0.00 N ATOM 260 NH2 ARG A 19 9.163 4.168 -1.124 1.00 0.00 N ATOM 0 H ARG A 19 6.435 9.440 -0.716 1.00 0.00 H new ATOM 0 HA ARG A 19 4.863 9.001 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.190 7.297 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.727 6.667 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.906 7.280 -4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.369 7.301 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.423 4.963 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.880 5.078 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 19 6.704 4.483 -1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.740 5.508 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.239 5.015 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.633 3.851 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.179 4.081 -1.136 1.00 0.00 H new ATOM 274 N LYS A 20 2.804 9.753 -1.902 1.00 0.00 N ATOM 275 CA LYS A 20 1.486 9.954 -1.312 1.00 0.00 C ATOM 276 C LYS A 20 0.384 9.621 -2.313 1.00 0.00 C ATOM 277 O LYS A 20 0.636 9.503 -3.512 1.00 0.00 O ATOM 278 CB LYS A 20 1.335 11.400 -0.834 1.00 0.00 C ATOM 279 CG LYS A 20 2.180 11.730 0.384 1.00 0.00 C ATOM 280 CD LYS A 20 2.597 13.191 0.394 1.00 0.00 C ATOM 281 CE LYS A 20 3.532 13.512 -0.762 1.00 0.00 C ATOM 282 NZ LYS A 20 4.418 14.668 -0.454 1.00 0.00 N ATOM 0 H LYS A 20 2.989 10.326 -2.725 1.00 0.00 H new ATOM 0 HA LYS A 20 1.391 9.283 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.607 12.073 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.287 11.589 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.617 11.505 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.067 11.097 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.711 13.824 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.091 13.423 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.142 12.638 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.945 13.732 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.663 15.162 -1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.924 15.324 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.287 14.327 0.005 1.00 0.00 H new ATOM 296 N CYS A 21 -0.838 9.471 -1.813 1.00 0.00 N ATOM 297 CA CYS A 21 -1.978 9.152 -2.663 1.00 0.00 C ATOM 298 C CYS A 21 -2.362 10.348 -3.530 1.00 0.00 C ATOM 299 O CYS A 21 -2.566 11.460 -3.042 1.00 0.00 O ATOM 300 CB CYS A 21 -3.173 8.723 -1.809 1.00 0.00 C ATOM 301 SG CYS A 21 -4.641 8.239 -2.773 1.00 0.00 S ATOM 0 H CYS A 21 -1.064 9.565 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.692 8.328 -3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.873 7.886 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.443 9.543 -1.143 1.00 0.00 H new ATOM 306 N PRO A 22 -2.463 10.116 -4.847 1.00 0.00 N ATOM 307 CA PRO A 22 -2.823 11.161 -5.809 1.00 0.00 C ATOM 308 C PRO A 22 -4.279 11.596 -5.675 1.00 0.00 C ATOM 309 O PRO A 22 -4.675 12.641 -6.192 1.00 0.00 O ATOM 310 CB PRO A 22 -2.588 10.491 -7.165 1.00 0.00 C ATOM 311 CG PRO A 22 -2.737 9.033 -6.898 1.00 0.00 C ATOM 312 CD PRO A 22 -2.233 8.815 -5.498 1.00 0.00 C ATOM 0 HA PRO A 22 -2.240 12.070 -5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.310 10.834 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.597 10.723 -7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.778 8.724 -6.991 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.165 8.444 -7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.774 8.013 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.178 8.542 -5.489 1.00 0.00 H new ATOM 320 N VAL A 23 -5.071 10.788 -4.978 1.00 0.00 N ATOM 321 CA VAL A 23 -6.483 11.091 -4.774 1.00 0.00 C ATOM 322 C VAL A 23 -6.710 11.776 -3.431 1.00 0.00 C ATOM 323 O VAL A 23 -7.566 12.652 -3.306 1.00 0.00 O ATOM 324 CB VAL A 23 -7.345 9.816 -4.839 1.00 0.00 C ATOM 325 CG1 VAL A 23 -8.812 10.152 -4.623 1.00 0.00 C ATOM 326 CG2 VAL A 23 -7.142 9.104 -6.168 1.00 0.00 C ATOM 0 H VAL A 23 -4.759 9.919 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.781 11.765 -5.577 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.030 9.144 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.405 9.239 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.939 10.615 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.145 10.843 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.758 8.205 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.429 9.768 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.093 8.828 -6.277 1.00 0.00 H new ATOM 336 N HIS A 24 -5.937 11.372 -2.428 1.00 0.00 N ATOM 337 CA HIS A 24 -6.053 11.949 -1.094 1.00 0.00 C ATOM 338 C HIS A 24 -4.860 12.849 -0.785 1.00 0.00 C ATOM 339 O HIS A 24 -5.025 13.980 -0.329 1.00 0.00 O ATOM 340 CB HIS A 24 -6.155 10.842 -0.044 1.00 0.00 C ATOM 341 CG HIS A 24 -7.434 10.065 -0.116 1.00 0.00 C ATOM 342 ND1 HIS A 24 -7.543 8.854 -0.766 1.00 0.00 N ATOM 343 CD2 HIS A 24 -8.662 10.333 0.387 1.00 0.00 C ATOM 344 CE1 HIS A 24 -8.784 8.411 -0.661 1.00 0.00 C ATOM 345 NE2 HIS A 24 -9.483 9.290 0.034 1.00 0.00 N ATOM 0 H HIS A 24 -5.224 10.648 -2.514 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.960 12.554 -1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.316 10.157 -0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.063 11.284 0.948 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.944 11.205 0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.162 7.487 -1.073 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.472 9.208 0.270 1.00 0.00 H new ATOM 353 N GLY A 25 -3.658 12.339 -1.037 1.00 0.00 N ATOM 354 CA GLY A 25 -2.456 13.110 -0.779 1.00 0.00 C ATOM 355 C GLY A 25 -1.759 12.687 0.499 1.00 0.00 C ATOM 356 O GLY A 25 -0.991 13.454 1.079 1.00 0.00 O ATOM 0 H GLY A 25 -3.495 11.406 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.769 12.998 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.713 14.167 -0.716 1.00 0.00 H new ATOM 360 N LYS A 26 -2.027 11.463 0.940 1.00 0.00 N ATOM 361 CA LYS A 26 -1.421 10.938 2.158 1.00 0.00 C ATOM 362 C LYS A 26 -0.355 9.897 1.830 1.00 0.00 C ATOM 363 O LYS A 26 -0.520 9.091 0.914 1.00 0.00 O ATOM 364 CB LYS A 26 -2.492 10.319 3.059 1.00 0.00 C ATOM 365 CG LYS A 26 -3.685 11.228 3.297 1.00 0.00 C ATOM 366 CD LYS A 26 -3.350 12.346 4.270 1.00 0.00 C ATOM 367 CE LYS A 26 -3.657 11.947 5.705 1.00 0.00 C ATOM 368 NZ LYS A 26 -2.743 12.614 6.674 1.00 0.00 N ATOM 0 H LYS A 26 -2.661 10.815 0.472 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.946 11.766 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.839 9.388 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.044 10.063 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.012 11.655 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.517 10.642 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.295 12.603 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.919 13.239 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.689 12.207 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.569 10.865 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.985 12.316 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.760 12.346 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.845 13.646 6.594 1.00 0.00 H new ATOM 382 N THR A 27 0.739 9.920 2.584 1.00 0.00 N ATOM 383 CA THR A 27 1.832 8.979 2.374 1.00 0.00 C ATOM 384 C THR A 27 1.319 7.545 2.313 1.00 0.00 C ATOM 385 O THR A 27 1.058 6.925 3.343 1.00 0.00 O ATOM 386 CB THR A 27 2.889 9.086 3.490 1.00 0.00 C ATOM 387 OG1 THR A 27 3.379 10.429 3.572 1.00 0.00 O ATOM 388 CG2 THR A 27 4.046 8.133 3.233 1.00 0.00 C ATOM 0 H THR A 27 0.892 10.580 3.346 1.00 0.00 H new ATOM 0 HA THR A 27 2.293 9.239 1.421 1.00 0.00 H new ATOM 0 HB THR A 27 2.418 8.813 4.434 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.340 10.735 4.502 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.779 8.227 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.674 7.109 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.516 8.379 2.281 1.00 0.00 H new ATOM 396 N MET A 28 1.177 7.023 1.099 1.00 0.00 N ATOM 397 CA MET A 28 0.697 5.660 0.904 1.00 0.00 C ATOM 398 C MET A 28 1.583 4.661 1.640 1.00 0.00 C ATOM 399 O MET A 28 2.766 4.523 1.332 1.00 0.00 O ATOM 400 CB MET A 28 0.654 5.320 -0.587 1.00 0.00 C ATOM 401 CG MET A 28 -0.338 6.161 -1.374 1.00 0.00 C ATOM 402 SD MET A 28 -0.557 5.575 -3.065 1.00 0.00 S ATOM 403 CE MET A 28 0.828 6.366 -3.880 1.00 0.00 C ATOM 0 H MET A 28 1.388 7.523 0.235 1.00 0.00 H new ATOM 0 HA MET A 28 -0.311 5.595 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.649 5.455 -1.011 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.398 4.267 -0.704 1.00 0.00 H new ATOM 0 HG2 MET A 28 -1.301 6.153 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.004 7.196 -1.394 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.460 7.020 -4.670 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.390 6.954 -3.154 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.479 5.606 -4.312 1.00 0.00 H new ATOM 413 N GLU A 29 1.003 3.967 2.615 1.00 0.00 N ATOM 414 CA GLU A 29 1.742 2.982 3.395 1.00 0.00 C ATOM 415 C GLU A 29 1.126 1.594 3.242 1.00 0.00 C ATOM 416 O GLU A 29 1.311 0.723 4.093 1.00 0.00 O ATOM 417 CB GLU A 29 1.765 3.381 4.872 1.00 0.00 C ATOM 418 CG GLU A 29 2.028 4.861 5.098 1.00 0.00 C ATOM 419 CD GLU A 29 2.727 5.134 6.416 1.00 0.00 C ATOM 420 OE1 GLU A 29 3.748 4.471 6.694 1.00 0.00 O ATOM 421 OE2 GLU A 29 2.252 6.010 7.169 1.00 0.00 O ATOM 0 H GLU A 29 0.024 4.069 2.883 1.00 0.00 H new ATOM 0 HA GLU A 29 2.764 2.951 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.810 3.117 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.533 2.802 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.637 5.247 4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.082 5.402 5.073 1.00 0.00 H new ATOM 428 N LEU A 30 0.394 1.395 2.151 1.00 0.00 N ATOM 429 CA LEU A 30 -0.249 0.113 1.885 1.00 0.00 C ATOM 430 C LEU A 30 -0.144 -0.253 0.408 1.00 0.00 C ATOM 431 O LEU A 30 0.289 0.555 -0.413 1.00 0.00 O ATOM 432 CB LEU A 30 -1.719 0.161 2.306 1.00 0.00 C ATOM 433 CG LEU A 30 -2.001 0.734 3.696 1.00 0.00 C ATOM 434 CD1 LEU A 30 -3.358 1.419 3.726 1.00 0.00 C ATOM 435 CD2 LEU A 30 -1.932 -0.363 4.748 1.00 0.00 C ATOM 0 H LEU A 30 0.231 2.105 1.437 1.00 0.00 H new ATOM 0 HA LEU A 30 0.266 -0.651 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.267 0.753 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.122 -0.851 2.264 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.237 1.477 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.541 1.820 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.372 2.232 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.136 0.697 3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.135 0.062 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.674 -1.129 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.937 -0.809 4.744 1.00 0.00 H new ATOM 447 N PHE A 31 -0.543 -1.477 0.077 1.00 0.00 N ATOM 448 CA PHE A 31 -0.495 -1.950 -1.301 1.00 0.00 C ATOM 449 C PHE A 31 -1.630 -2.932 -1.579 1.00 0.00 C ATOM 450 O PHE A 31 -1.800 -3.921 -0.865 1.00 0.00 O ATOM 451 CB PHE A 31 0.853 -2.617 -1.586 1.00 0.00 C ATOM 452 CG PHE A 31 0.957 -3.188 -2.971 1.00 0.00 C ATOM 453 CD1 PHE A 31 1.359 -2.395 -4.034 1.00 0.00 C ATOM 454 CD2 PHE A 31 0.654 -4.519 -3.211 1.00 0.00 C ATOM 455 CE1 PHE A 31 1.455 -2.918 -5.309 1.00 0.00 C ATOM 456 CE2 PHE A 31 0.749 -5.048 -4.485 1.00 0.00 C ATOM 457 CZ PHE A 31 1.152 -4.246 -5.535 1.00 0.00 C ATOM 0 H PHE A 31 -0.903 -2.159 0.745 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.614 -1.089 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.649 -1.886 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.016 -3.413 -0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.600 -1.356 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.340 -5.151 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.767 -2.288 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.509 -6.086 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.230 -4.657 -6.531 1.00 0.00 H new ATOM 467 N CYS A 32 -2.404 -2.651 -2.622 1.00 0.00 N ATOM 468 CA CYS A 32 -3.524 -3.506 -2.995 1.00 0.00 C ATOM 469 C CYS A 32 -3.029 -4.812 -3.611 1.00 0.00 C ATOM 470 O CYS A 32 -2.038 -4.829 -4.340 1.00 0.00 O ATOM 471 CB CYS A 32 -4.441 -2.780 -3.982 1.00 0.00 C ATOM 472 SG CYS A 32 -5.989 -3.667 -4.348 1.00 0.00 S ATOM 0 H CYS A 32 -2.276 -1.838 -3.224 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.087 -3.740 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.685 -1.797 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.899 -2.618 -4.913 1.00 0.00 H new ATOM 477 N GLN A 33 -3.727 -5.903 -3.310 1.00 0.00 N ATOM 478 CA GLN A 33 -3.358 -7.213 -3.834 1.00 0.00 C ATOM 479 C GLN A 33 -4.192 -7.563 -5.061 1.00 0.00 C ATOM 480 O GLN A 33 -3.861 -8.485 -5.809 1.00 0.00 O ATOM 481 CB GLN A 33 -3.538 -8.285 -2.757 1.00 0.00 C ATOM 482 CG GLN A 33 -2.579 -8.139 -1.587 1.00 0.00 C ATOM 483 CD GLN A 33 -2.285 -9.460 -0.905 1.00 0.00 C ATOM 484 OE1 GLN A 33 -3.131 -10.354 -0.865 1.00 0.00 O ATOM 485 NE2 GLN A 33 -1.079 -9.592 -0.364 1.00 0.00 N ATOM 0 H GLN A 33 -4.550 -5.906 -2.707 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.309 -7.177 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.561 -8.245 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.401 -9.268 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.645 -7.701 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.002 -7.445 -0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.408 -8.826 -0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.824 -10.460 0.108 1.00 0.00 H new ATOM 494 N THR A 34 -5.277 -6.823 -5.265 1.00 0.00 N ATOM 495 CA THR A 34 -6.160 -7.056 -6.401 1.00 0.00 C ATOM 496 C THR A 34 -5.560 -6.499 -7.687 1.00 0.00 C ATOM 497 O THR A 34 -5.279 -7.244 -8.625 1.00 0.00 O ATOM 498 CB THR A 34 -7.545 -6.420 -6.176 1.00 0.00 C ATOM 499 OG1 THR A 34 -8.222 -7.085 -5.104 1.00 0.00 O ATOM 500 CG2 THR A 34 -8.387 -6.497 -7.440 1.00 0.00 C ATOM 0 H THR A 34 -5.566 -6.056 -4.657 1.00 0.00 H new ATOM 0 HA THR A 34 -6.276 -8.136 -6.495 1.00 0.00 H new ATOM 0 HB THR A 34 -7.401 -5.371 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.190 -7.045 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.360 -6.042 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.883 -5.964 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.522 -7.541 -7.724 1.00 0.00 H new ATOM 508 N ASP A 35 -5.365 -5.185 -7.722 1.00 0.00 N ATOM 509 CA ASP A 35 -4.797 -4.528 -8.893 1.00 0.00 C ATOM 510 C ASP A 35 -3.281 -4.412 -8.769 1.00 0.00 C ATOM 511 O ASP A 35 -2.599 -4.026 -9.717 1.00 0.00 O ATOM 512 CB ASP A 35 -5.413 -3.141 -9.076 1.00 0.00 C ATOM 513 CG ASP A 35 -5.835 -2.517 -7.761 1.00 0.00 C ATOM 514 OD1 ASP A 35 -5.015 -2.509 -6.819 1.00 0.00 O ATOM 515 OD2 ASP A 35 -6.984 -2.036 -7.673 1.00 0.00 O ATOM 0 H ASP A 35 -5.592 -4.554 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.027 -5.137 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.692 -2.489 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.279 -3.215 -9.734 1.00 0.00 H new ATOM 520 N GLN A 36 -2.761 -4.749 -7.592 1.00 0.00 N ATOM 521 CA GLN A 36 -1.326 -4.680 -7.344 1.00 0.00 C ATOM 522 C GLN A 36 -0.820 -3.247 -7.470 1.00 0.00 C ATOM 523 O GLN A 36 0.182 -2.987 -8.137 1.00 0.00 O ATOM 524 CB GLN A 36 -0.574 -5.587 -8.319 1.00 0.00 C ATOM 525 CG GLN A 36 -0.803 -7.069 -8.071 1.00 0.00 C ATOM 526 CD GLN A 36 0.192 -7.657 -7.089 1.00 0.00 C ATOM 527 OE1 GLN A 36 1.389 -7.376 -7.157 1.00 0.00 O ATOM 528 NE2 GLN A 36 -0.300 -8.477 -6.168 1.00 0.00 N ATOM 0 H GLN A 36 -3.312 -5.072 -6.797 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.142 -5.022 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.881 -5.346 -9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.493 -5.376 -8.249 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.814 -7.218 -7.691 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.735 -7.607 -9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.299 -8.682 -6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.321 -8.902 -5.480 1.00 0.00 H new ATOM 537 N THR A 37 -1.519 -2.318 -6.825 1.00 0.00 N ATOM 538 CA THR A 37 -1.142 -0.911 -6.866 1.00 0.00 C ATOM 539 C THR A 37 -0.965 -0.348 -5.461 1.00 0.00 C ATOM 540 O THR A 37 -1.511 -0.882 -4.495 1.00 0.00 O ATOM 541 CB THR A 37 -2.192 -0.070 -7.616 1.00 0.00 C ATOM 542 OG1 THR A 37 -1.603 1.151 -8.077 1.00 0.00 O ATOM 543 CG2 THR A 37 -3.378 0.242 -6.716 1.00 0.00 C ATOM 0 H THR A 37 -2.350 -2.515 -6.268 1.00 0.00 H new ATOM 0 HA THR A 37 -0.193 -0.853 -7.399 1.00 0.00 H new ATOM 0 HB THR A 37 -2.546 -0.648 -8.470 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.276 1.679 -8.554 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.106 0.837 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.842 -0.689 -6.390 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.037 0.802 -5.845 1.00 0.00 H new ATOM 551 N CYS A 38 -0.201 0.733 -5.354 1.00 0.00 N ATOM 552 CA CYS A 38 0.048 1.369 -4.065 1.00 0.00 C ATOM 553 C CYS A 38 -1.087 2.320 -3.700 1.00 0.00 C ATOM 554 O CYS A 38 -1.540 3.109 -4.529 1.00 0.00 O ATOM 555 CB CYS A 38 1.375 2.128 -4.095 1.00 0.00 C ATOM 556 SG CYS A 38 2.798 1.110 -4.554 1.00 0.00 S ATOM 0 H CYS A 38 0.257 1.188 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 38 0.102 0.588 -3.307 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.292 2.956 -4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.555 2.563 -3.112 1.00 0.00 H new ATOM 0 HG CYS A 38 3.873 1.841 -4.553 1.00 0.00 H new ATOM 562 N ILE A 39 -1.543 2.238 -2.454 1.00 0.00 N ATOM 563 CA ILE A 39 -2.626 3.090 -1.980 1.00 0.00 C ATOM 564 C ILE A 39 -2.380 3.544 -0.545 1.00 0.00 C ATOM 565 O ILE A 39 -1.371 3.190 0.065 1.00 0.00 O ATOM 566 CB ILE A 39 -3.984 2.368 -2.053 1.00 0.00 C ATOM 567 CG1 ILE A 39 -3.930 1.054 -1.273 1.00 0.00 C ATOM 568 CG2 ILE A 39 -4.372 2.115 -3.502 1.00 0.00 C ATOM 569 CD1 ILE A 39 -5.288 0.564 -0.820 1.00 0.00 C ATOM 0 H ILE A 39 -1.179 1.590 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.652 3.961 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.743 3.006 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.466 0.290 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.290 1.185 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.334 1.604 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.447 3.066 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.614 1.494 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.173 -0.372 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.746 1.310 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.925 0.401 -1.690 1.00 0.00 H new ATOM 581 N CYS A 40 -3.311 4.327 -0.010 1.00 0.00 N ATOM 582 CA CYS A 40 -3.198 4.828 1.354 1.00 0.00 C ATOM 583 C CYS A 40 -4.262 4.205 2.253 1.00 0.00 C ATOM 584 O CYS A 40 -5.132 3.470 1.785 1.00 0.00 O ATOM 585 CB CYS A 40 -3.329 6.352 1.372 1.00 0.00 C ATOM 586 SG CYS A 40 -4.961 6.965 0.845 1.00 0.00 S ATOM 0 H CYS A 40 -4.153 4.628 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.216 4.549 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.126 6.711 2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.565 6.779 0.722 1.00 0.00 H new ATOM 591 N TYR A 41 -4.185 4.503 3.545 1.00 0.00 N ATOM 592 CA TYR A 41 -5.140 3.970 4.510 1.00 0.00 C ATOM 593 C TYR A 41 -6.556 4.436 4.189 1.00 0.00 C ATOM 594 O TYR A 41 -7.512 3.663 4.277 1.00 0.00 O ATOM 595 CB TYR A 41 -4.758 4.401 5.927 1.00 0.00 C ATOM 596 CG TYR A 41 -4.011 5.714 5.981 1.00 0.00 C ATOM 597 CD1 TYR A 41 -4.694 6.923 6.035 1.00 0.00 C ATOM 598 CD2 TYR A 41 -2.622 5.747 5.978 1.00 0.00 C ATOM 599 CE1 TYR A 41 -4.015 8.125 6.082 1.00 0.00 C ATOM 600 CE2 TYR A 41 -1.935 6.944 6.027 1.00 0.00 C ATOM 601 CZ TYR A 41 -2.636 8.131 6.079 1.00 0.00 C ATOM 602 OH TYR A 41 -1.956 9.326 6.128 1.00 0.00 O ATOM 0 H TYR A 41 -3.472 5.110 3.948 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.112 2.882 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.663 4.483 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.143 3.624 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.774 6.923 6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.070 4.820 5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.562 9.056 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.855 6.951 6.025 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.991 9.154 6.119 1.00 0.00 H new ATOM 612 N LEU A 42 -6.684 5.704 3.816 1.00 0.00 N ATOM 613 CA LEU A 42 -7.984 6.276 3.480 1.00 0.00 C ATOM 614 C LEU A 42 -8.577 5.595 2.251 1.00 0.00 C ATOM 615 O LEU A 42 -9.781 5.672 2.005 1.00 0.00 O ATOM 616 CB LEU A 42 -7.853 7.779 3.231 1.00 0.00 C ATOM 617 CG LEU A 42 -7.312 8.608 4.396 1.00 0.00 C ATOM 618 CD1 LEU A 42 -7.245 10.080 4.019 1.00 0.00 C ATOM 619 CD2 LEU A 42 -8.175 8.413 5.635 1.00 0.00 C ATOM 0 H LEU A 42 -5.904 6.356 3.738 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.655 6.111 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.200 7.929 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.834 8.169 2.959 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.302 8.265 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.858 10.654 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.586 10.206 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.243 10.437 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.775 9.010 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.196 8.728 5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.172 7.360 5.918 1.00 0.00 H new ATOM 631 N CYS A 43 -7.724 4.926 1.482 1.00 0.00 N ATOM 632 CA CYS A 43 -8.162 4.229 0.279 1.00 0.00 C ATOM 633 C CYS A 43 -8.680 2.834 0.617 1.00 0.00 C ATOM 634 O CYS A 43 -9.759 2.438 0.177 1.00 0.00 O ATOM 635 CB CYS A 43 -7.013 4.129 -0.725 1.00 0.00 C ATOM 636 SG CYS A 43 -6.917 5.528 -1.888 1.00 0.00 S ATOM 0 H CYS A 43 -6.724 4.852 1.671 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.975 4.802 -0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.072 4.060 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.121 3.205 -1.293 1.00 0.00 H new ATOM 641 N MET A 44 -7.903 2.094 1.400 1.00 0.00 N ATOM 642 CA MET A 44 -8.284 0.744 1.798 1.00 0.00 C ATOM 643 C MET A 44 -9.639 0.745 2.499 1.00 0.00 C ATOM 644 O MET A 44 -10.262 -0.303 2.669 1.00 0.00 O ATOM 645 CB MET A 44 -7.221 0.142 2.720 1.00 0.00 C ATOM 646 CG MET A 44 -7.245 0.713 4.128 1.00 0.00 C ATOM 647 SD MET A 44 -6.839 -0.517 5.383 1.00 0.00 S ATOM 648 CE MET A 44 -5.347 -1.227 4.692 1.00 0.00 C ATOM 0 H MET A 44 -7.006 2.406 1.772 1.00 0.00 H new ATOM 0 HA MET A 44 -8.361 0.135 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.366 -0.937 2.772 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.236 0.311 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.538 1.540 4.193 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.234 1.123 4.333 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.353 -2.306 4.846 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.303 -1.013 3.624 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.476 -0.795 5.185 1.00 0.00 H new ATOM 658 N PHE A 45 -10.090 1.928 2.903 1.00 0.00 N ATOM 659 CA PHE A 45 -11.371 2.065 3.586 1.00 0.00 C ATOM 660 C PHE A 45 -12.479 2.421 2.599 1.00 0.00 C ATOM 661 O PHE A 45 -13.635 2.044 2.786 1.00 0.00 O ATOM 662 CB PHE A 45 -11.280 3.136 4.676 1.00 0.00 C ATOM 663 CG PHE A 45 -10.101 2.962 5.590 1.00 0.00 C ATOM 664 CD1 PHE A 45 -9.727 1.702 6.028 1.00 0.00 C ATOM 665 CD2 PHE A 45 -9.367 4.059 6.011 1.00 0.00 C ATOM 666 CE1 PHE A 45 -8.642 1.539 6.868 1.00 0.00 C ATOM 667 CE2 PHE A 45 -8.281 3.902 6.852 1.00 0.00 C ATOM 668 CZ PHE A 45 -7.919 2.641 7.282 1.00 0.00 C ATOM 0 H PHE A 45 -9.587 2.805 2.769 1.00 0.00 H new ATOM 0 HA PHE A 45 -11.613 1.107 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.223 4.118 4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.195 3.119 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.290 0.837 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.646 5.048 5.678 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.359 0.551 7.201 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.716 4.765 7.172 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.072 2.516 7.941 1.00 0.00 H new ATOM 678 N GLN A 46 -12.115 3.150 1.549 1.00 0.00 N ATOM 679 CA GLN A 46 -13.078 3.558 0.532 1.00 0.00 C ATOM 680 C GLN A 46 -12.687 3.014 -0.838 1.00 0.00 C ATOM 681 O GLN A 46 -13.288 2.060 -1.331 1.00 0.00 O ATOM 682 CB GLN A 46 -13.178 5.084 0.478 1.00 0.00 C ATOM 683 CG GLN A 46 -14.241 5.657 1.401 1.00 0.00 C ATOM 684 CD GLN A 46 -15.638 5.189 1.043 1.00 0.00 C ATOM 685 OE1 GLN A 46 -16.048 4.086 1.406 1.00 0.00 O ATOM 686 NE2 GLN A 46 -16.378 6.028 0.328 1.00 0.00 N ATOM 0 H GLN A 46 -11.161 3.470 1.380 1.00 0.00 H new ATOM 0 HA GLN A 46 -14.050 3.146 0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.211 5.513 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.394 5.390 -0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.018 5.370 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.205 6.746 1.359 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.998 6.932 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.327 5.768 0.058 1.00 0.00 H new ATOM 695 N GLU A 47 -11.677 3.627 -1.447 1.00 0.00 N ATOM 696 CA GLU A 47 -11.208 3.203 -2.761 1.00 0.00 C ATOM 697 C GLU A 47 -11.149 1.681 -2.853 1.00 0.00 C ATOM 698 O GLU A 47 -11.862 1.067 -3.646 1.00 0.00 O ATOM 699 CB GLU A 47 -9.828 3.797 -3.050 1.00 0.00 C ATOM 700 CG GLU A 47 -9.879 5.167 -3.705 1.00 0.00 C ATOM 701 CD GLU A 47 -10.844 6.109 -3.011 1.00 0.00 C ATOM 702 OE1 GLU A 47 -10.935 6.053 -1.767 1.00 0.00 O ATOM 703 OE2 GLU A 47 -11.507 6.902 -3.712 1.00 0.00 O ATOM 0 H GLU A 47 -11.168 4.418 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.915 3.567 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.271 3.871 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.277 3.115 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.881 5.606 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.173 5.056 -4.749 1.00 0.00 H new ATOM 710 N HIS A 48 -10.292 1.078 -2.035 1.00 0.00 N ATOM 711 CA HIS A 48 -10.138 -0.373 -2.023 1.00 0.00 C ATOM 712 C HIS A 48 -10.623 -0.960 -0.701 1.00 0.00 C ATOM 713 O HIS A 48 -9.822 -1.300 0.171 1.00 0.00 O ATOM 714 CB HIS A 48 -8.676 -0.754 -2.258 1.00 0.00 C ATOM 715 CG HIS A 48 -8.032 0.005 -3.377 1.00 0.00 C ATOM 716 ND1 HIS A 48 -7.635 -0.587 -4.557 1.00 0.00 N ATOM 717 CD2 HIS A 48 -7.717 1.316 -3.491 1.00 0.00 C ATOM 718 CE1 HIS A 48 -7.102 0.327 -5.348 1.00 0.00 C ATOM 719 NE2 HIS A 48 -7.141 1.491 -4.725 1.00 0.00 N ATOM 0 H HIS A 48 -9.694 1.571 -1.372 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.747 -0.785 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.112 -0.582 -1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.617 -1.821 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.887 2.082 -2.749 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.702 0.152 -6.336 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.799 2.376 -5.100 1.00 0.00 H new ATOM 727 N LYS A 49 -11.939 -1.074 -0.557 1.00 0.00 N ATOM 728 CA LYS A 49 -12.532 -1.620 0.658 1.00 0.00 C ATOM 729 C LYS A 49 -12.900 -3.089 0.472 1.00 0.00 C ATOM 730 O LYS A 49 -12.848 -3.876 1.416 1.00 0.00 O ATOM 731 CB LYS A 49 -13.775 -0.817 1.049 1.00 0.00 C ATOM 732 CG LYS A 49 -14.148 -0.950 2.515 1.00 0.00 C ATOM 733 CD LYS A 49 -15.523 -0.367 2.795 1.00 0.00 C ATOM 734 CE LYS A 49 -15.920 -0.551 4.252 1.00 0.00 C ATOM 735 NZ LYS A 49 -15.861 -1.980 4.667 1.00 0.00 N ATOM 0 H LYS A 49 -12.616 -0.795 -1.267 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.794 -1.547 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.605 0.235 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.616 -1.144 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.132 -2.002 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.404 -0.441 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.527 0.694 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -16.261 -0.847 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.258 0.039 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.930 -0.170 4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.385 -2.105 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.287 -2.574 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.869 -2.260 4.807 1.00 0.00 H new ATOM 749 N ASN A 50 -13.271 -3.450 -0.752 1.00 0.00 N ATOM 750 CA ASN A 50 -13.647 -4.825 -1.062 1.00 0.00 C ATOM 751 C ASN A 50 -12.418 -5.662 -1.399 1.00 0.00 C ATOM 752 O ASN A 50 -12.361 -6.853 -1.092 1.00 0.00 O ATOM 753 CB ASN A 50 -14.635 -4.855 -2.230 1.00 0.00 C ATOM 754 CG ASN A 50 -15.577 -3.666 -2.221 1.00 0.00 C ATOM 755 OD1 ASN A 50 -15.870 -3.084 -3.266 1.00 0.00 O ATOM 756 ND2 ASN A 50 -16.057 -3.301 -1.038 1.00 0.00 N ATOM 0 H ASN A 50 -13.319 -2.810 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.125 -5.252 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.082 -4.870 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.216 -5.776 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.696 -2.509 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.787 -3.813 -0.198 1.00 0.00 H new ATOM 763 N HIS A 51 -11.434 -5.031 -2.033 1.00 0.00 N ATOM 764 CA HIS A 51 -10.204 -5.718 -2.412 1.00 0.00 C ATOM 765 C HIS A 51 -9.432 -6.170 -1.176 1.00 0.00 C ATOM 766 O HIS A 51 -9.906 -6.026 -0.049 1.00 0.00 O ATOM 767 CB HIS A 51 -9.328 -4.803 -3.268 1.00 0.00 C ATOM 768 CG HIS A 51 -9.951 -4.432 -4.579 1.00 0.00 C ATOM 769 ND1 HIS A 51 -9.433 -3.462 -5.411 1.00 0.00 N ATOM 770 CD2 HIS A 51 -11.055 -4.908 -5.200 1.00 0.00 C ATOM 771 CE1 HIS A 51 -10.192 -3.357 -6.487 1.00 0.00 C ATOM 772 NE2 HIS A 51 -11.183 -4.224 -6.384 1.00 0.00 N ATOM 0 H HIS A 51 -11.465 -4.046 -2.295 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.473 -6.600 -2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.111 -3.893 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.375 -5.297 -3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -11.713 -5.682 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.030 -2.678 -7.311 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.923 -4.363 -7.072 1.00 0.00 H new ATOM 780 N SER A 52 -8.241 -6.717 -1.395 1.00 0.00 N ATOM 781 CA SER A 52 -7.405 -7.195 -0.300 1.00 0.00 C ATOM 782 C SER A 52 -6.141 -6.350 -0.173 1.00 0.00 C ATOM 783 O SER A 52 -5.101 -6.678 -0.744 1.00 0.00 O ATOM 784 CB SER A 52 -7.032 -8.663 -0.518 1.00 0.00 C ATOM 785 OG SER A 52 -8.007 -9.525 0.042 1.00 0.00 O ATOM 0 H SER A 52 -7.833 -6.840 -2.322 1.00 0.00 H new ATOM 0 HA SER A 52 -7.975 -7.106 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.936 -8.862 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.061 -8.866 -0.067 1.00 0.00 H new ATOM 0 HG SER A 52 -7.747 -10.457 -0.112 1.00 0.00 H new ATOM 791 N THR A 53 -6.239 -5.260 0.581 1.00 0.00 N ATOM 792 CA THR A 53 -5.106 -4.366 0.784 1.00 0.00 C ATOM 793 C THR A 53 -4.205 -4.867 1.907 1.00 0.00 C ATOM 794 O THR A 53 -4.681 -5.414 2.902 1.00 0.00 O ATOM 795 CB THR A 53 -5.570 -2.935 1.113 1.00 0.00 C ATOM 796 OG1 THR A 53 -6.653 -2.975 2.049 1.00 0.00 O ATOM 797 CG2 THR A 53 -6.009 -2.205 -0.148 1.00 0.00 C ATOM 0 H THR A 53 -7.092 -4.975 1.062 1.00 0.00 H new ATOM 0 HA THR A 53 -4.544 -4.351 -0.150 1.00 0.00 H new ATOM 0 HB THR A 53 -4.730 -2.396 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.472 -2.654 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.332 -1.196 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.174 -2.151 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.835 -2.744 -0.611 1.00 0.00 H new ATOM 805 N VAL A 54 -2.900 -4.676 1.742 1.00 0.00 N ATOM 806 CA VAL A 54 -1.931 -5.107 2.744 1.00 0.00 C ATOM 807 C VAL A 54 -0.774 -4.120 2.849 1.00 0.00 C ATOM 808 O VAL A 54 -0.226 -3.678 1.839 1.00 0.00 O ATOM 809 CB VAL A 54 -1.373 -6.505 2.419 1.00 0.00 C ATOM 810 CG1 VAL A 54 -2.491 -7.535 2.395 1.00 0.00 C ATOM 811 CG2 VAL A 54 -0.626 -6.485 1.094 1.00 0.00 C ATOM 0 H VAL A 54 -2.489 -4.226 0.924 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.457 -5.147 3.698 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.670 -6.787 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.077 -8.516 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.977 -7.567 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.222 -7.261 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.238 -7.481 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.306 -6.181 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.202 -5.779 1.154 1.00 0.00 H new ATOM 821 N THR A 55 -0.404 -3.779 4.080 1.00 0.00 N ATOM 822 CA THR A 55 0.689 -2.845 4.318 1.00 0.00 C ATOM 823 C THR A 55 1.869 -3.132 3.397 1.00 0.00 C ATOM 824 O THR A 55 2.288 -4.280 3.248 1.00 0.00 O ATOM 825 CB THR A 55 1.168 -2.902 5.781 1.00 0.00 C ATOM 826 OG1 THR A 55 1.296 -4.265 6.201 1.00 0.00 O ATOM 827 CG2 THR A 55 0.198 -2.172 6.697 1.00 0.00 C ATOM 0 H THR A 55 -0.846 -4.136 4.927 1.00 0.00 H new ATOM 0 HA THR A 55 0.303 -1.847 4.108 1.00 0.00 H new ATOM 0 HB THR A 55 2.139 -2.411 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.176 -4.400 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.557 -2.226 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.125 -1.128 6.392 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.785 -2.638 6.632 1.00 0.00 H new ATOM 835 N VAL A 56 2.402 -2.082 2.780 1.00 0.00 N ATOM 836 CA VAL A 56 3.535 -2.221 1.874 1.00 0.00 C ATOM 837 C VAL A 56 4.603 -3.135 2.466 1.00 0.00 C ATOM 838 O VAL A 56 5.041 -4.090 1.826 1.00 0.00 O ATOM 839 CB VAL A 56 4.167 -0.854 1.550 1.00 0.00 C ATOM 840 CG1 VAL A 56 5.368 -1.025 0.633 1.00 0.00 C ATOM 841 CG2 VAL A 56 3.136 0.074 0.925 1.00 0.00 C ATOM 0 H VAL A 56 2.067 -1.125 2.892 1.00 0.00 H new ATOM 0 HA VAL A 56 3.152 -2.662 0.954 1.00 0.00 H new ATOM 0 HB VAL A 56 4.512 -0.403 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.801 -0.049 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.113 -1.652 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.051 -1.497 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.599 1.035 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.759 -0.369 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.310 0.222 1.621 1.00 0.00 H new ATOM 851 N GLU A 57 5.017 -2.834 3.693 1.00 0.00 N ATOM 852 CA GLU A 57 6.034 -3.628 4.372 1.00 0.00 C ATOM 853 C GLU A 57 5.702 -5.116 4.297 1.00 0.00 C ATOM 854 O GLU A 57 6.582 -5.948 4.077 1.00 0.00 O ATOM 855 CB GLU A 57 6.160 -3.195 5.834 1.00 0.00 C ATOM 856 CG GLU A 57 7.554 -3.383 6.407 1.00 0.00 C ATOM 857 CD GLU A 57 7.741 -2.672 7.733 1.00 0.00 C ATOM 858 OE1 GLU A 57 7.924 -1.437 7.723 1.00 0.00 O ATOM 859 OE2 GLU A 57 7.704 -3.351 8.781 1.00 0.00 O ATOM 0 H GLU A 57 4.664 -2.047 4.237 1.00 0.00 H new ATOM 0 HA GLU A 57 6.986 -3.460 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.880 -2.145 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.450 -3.763 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.748 -4.447 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.289 -3.012 5.693 1.00 0.00 H new ATOM 866 N GLU A 58 4.427 -5.441 4.481 1.00 0.00 N ATOM 867 CA GLU A 58 3.979 -6.829 4.436 1.00 0.00 C ATOM 868 C GLU A 58 4.239 -7.439 3.062 1.00 0.00 C ATOM 869 O GLU A 58 4.741 -8.558 2.953 1.00 0.00 O ATOM 870 CB GLU A 58 2.489 -6.918 4.772 1.00 0.00 C ATOM 871 CG GLU A 58 2.056 -8.292 5.254 1.00 0.00 C ATOM 872 CD GLU A 58 1.664 -9.214 4.115 1.00 0.00 C ATOM 873 OE1 GLU A 58 2.491 -9.408 3.200 1.00 0.00 O ATOM 874 OE2 GLU A 58 0.532 -9.740 4.139 1.00 0.00 O ATOM 0 H GLU A 58 3.686 -4.764 4.662 1.00 0.00 H new ATOM 0 HA GLU A 58 4.545 -7.392 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.254 -6.182 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.909 -6.653 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.868 -8.747 5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.213 -8.184 5.936 1.00 0.00 H new ATOM 881 N ALA A 59 3.893 -6.696 2.015 1.00 0.00 N ATOM 882 CA ALA A 59 4.090 -7.163 0.648 1.00 0.00 C ATOM 883 C ALA A 59 5.559 -7.468 0.378 1.00 0.00 C ATOM 884 O ALA A 59 5.894 -8.501 -0.201 1.00 0.00 O ATOM 885 CB ALA A 59 3.572 -6.131 -0.342 1.00 0.00 C ATOM 0 H ALA A 59 3.475 -5.768 2.088 1.00 0.00 H new ATOM 0 HA ALA A 59 3.526 -8.087 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.726 -6.493 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.508 -5.966 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.111 -5.193 -0.205 1.00 0.00 H new ATOM 891 N LYS A 60 6.434 -6.561 0.801 1.00 0.00 N ATOM 892 CA LYS A 60 7.869 -6.732 0.606 1.00 0.00 C ATOM 893 C LYS A 60 8.359 -8.016 1.267 1.00 0.00 C ATOM 894 O LYS A 60 9.133 -8.771 0.680 1.00 0.00 O ATOM 895 CB LYS A 60 8.628 -5.531 1.175 1.00 0.00 C ATOM 896 CG LYS A 60 8.295 -4.219 0.486 1.00 0.00 C ATOM 897 CD LYS A 60 8.694 -3.025 1.338 1.00 0.00 C ATOM 898 CE LYS A 60 10.181 -2.729 1.222 1.00 0.00 C ATOM 899 NZ LYS A 60 11.002 -3.697 2.000 1.00 0.00 N ATOM 0 H LYS A 60 6.174 -5.700 1.281 1.00 0.00 H new ATOM 0 HA LYS A 60 8.059 -6.800 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.404 -5.441 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.699 -5.715 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.809 -4.170 -0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.226 -4.177 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.123 -2.150 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.441 -3.220 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.477 -2.762 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.379 -1.718 1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.783 -3.193 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.408 -4.157 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.389 -4.418 1.358 1.00 0.00 H new ATOM 913 N ALA A 61 7.901 -8.258 2.491 1.00 0.00 N ATOM 914 CA ALA A 61 8.290 -9.453 3.230 1.00 0.00 C ATOM 915 C ALA A 61 8.242 -10.689 2.338 1.00 0.00 C ATOM 916 O ALA A 61 9.150 -11.519 2.364 1.00 0.00 O ATOM 917 CB ALA A 61 7.392 -9.639 4.443 1.00 0.00 C ATOM 0 H ALA A 61 7.260 -7.642 2.992 1.00 0.00 H new ATOM 0 HA ALA A 61 9.317 -9.322 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.694 -10.535 4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.480 -8.772 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.357 -9.744 4.117 1.00 0.00 H new ATOM 923 N GLU A 62 7.176 -10.805 1.552 1.00 0.00 N ATOM 924 CA GLU A 62 7.010 -11.942 0.655 1.00 0.00 C ATOM 925 C GLU A 62 8.118 -11.974 -0.394 1.00 0.00 C ATOM 926 O GLU A 62 8.860 -12.952 -0.501 1.00 0.00 O ATOM 927 CB GLU A 62 5.644 -11.882 -0.033 1.00 0.00 C ATOM 928 CG GLU A 62 4.490 -12.286 0.869 1.00 0.00 C ATOM 929 CD GLU A 62 4.392 -13.788 1.052 1.00 0.00 C ATOM 930 OE1 GLU A 62 4.068 -14.485 0.068 1.00 0.00 O ATOM 931 OE2 GLU A 62 4.638 -14.267 2.179 1.00 0.00 O ATOM 0 H GLU A 62 6.415 -10.126 1.518 1.00 0.00 H new ATOM 0 HA GLU A 62 7.070 -12.853 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.473 -10.868 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.657 -12.534 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.612 -11.812 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.556 -11.913 0.448 1.00 0.00 H new ATOM 938 N LYS A 63 8.225 -10.899 -1.166 1.00 0.00 N ATOM 939 CA LYS A 63 9.243 -10.801 -2.206 1.00 0.00 C ATOM 940 C LYS A 63 10.614 -11.191 -1.664 1.00 0.00 C ATOM 941 O LYS A 63 11.277 -12.075 -2.206 1.00 0.00 O ATOM 942 CB LYS A 63 9.291 -9.379 -2.770 1.00 0.00 C ATOM 943 CG LYS A 63 10.067 -9.266 -4.070 1.00 0.00 C ATOM 944 CD LYS A 63 10.324 -7.815 -4.442 1.00 0.00 C ATOM 945 CE LYS A 63 9.091 -7.170 -5.055 1.00 0.00 C ATOM 946 NZ LYS A 63 9.307 -5.725 -5.343 1.00 0.00 N ATOM 0 H LYS A 63 7.619 -10.082 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 63 8.978 -11.493 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.272 -9.027 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.741 -8.718 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.017 -9.792 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.511 -9.755 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.624 -7.258 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.153 -7.761 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.830 -7.689 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.246 -7.283 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.444 -5.321 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.531 -5.225 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.097 -5.618 -6.011 1.00 0.00 H new ATOM 960 N GLU A 64 11.032 -10.526 -0.591 1.00 0.00 N ATOM 961 CA GLU A 64 12.325 -10.805 0.023 1.00 0.00 C ATOM 962 C GLU A 64 12.461 -12.288 0.355 1.00 0.00 C ATOM 963 O GLU A 64 11.603 -12.869 1.020 1.00 0.00 O ATOM 964 CB GLU A 64 12.502 -9.969 1.293 1.00 0.00 C ATOM 965 CG GLU A 64 12.943 -8.540 1.024 1.00 0.00 C ATOM 966 CD GLU A 64 14.138 -8.463 0.094 1.00 0.00 C ATOM 967 OE1 GLU A 64 13.933 -8.465 -1.138 1.00 0.00 O ATOM 968 OE2 GLU A 64 15.279 -8.401 0.599 1.00 0.00 O ATOM 0 H GLU A 64 10.495 -9.792 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 64 13.103 -10.537 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.560 -9.953 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.237 -10.452 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.113 -7.983 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.191 -8.056 1.969 1.00 0.00 H new ATOM 975 N THR A 65 13.546 -12.896 -0.115 1.00 0.00 N ATOM 976 CA THR A 65 13.795 -14.311 0.129 1.00 0.00 C ATOM 977 C THR A 65 12.492 -15.102 0.160 1.00 0.00 C ATOM 978 O THR A 65 12.316 -15.993 0.989 1.00 0.00 O ATOM 979 CB THR A 65 14.546 -14.529 1.457 1.00 0.00 C ATOM 980 OG1 THR A 65 13.726 -14.115 2.556 1.00 0.00 O ATOM 981 CG2 THR A 65 15.854 -13.753 1.473 1.00 0.00 C ATOM 0 H THR A 65 14.266 -12.430 -0.667 1.00 0.00 H new ATOM 0 HA THR A 65 14.414 -14.669 -0.693 1.00 0.00 H new ATOM 0 HB THR A 65 14.772 -15.591 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.209 -14.258 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.366 -13.923 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.487 -14.090 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.647 -12.689 1.358 1.00 0.00 H new ATOM 989 N GLU A 66 11.582 -14.769 -0.751 1.00 0.00 N ATOM 990 CA GLU A 66 10.295 -15.449 -0.827 1.00 0.00 C ATOM 991 C GLU A 66 10.467 -16.958 -0.683 1.00 0.00 C ATOM 992 O GLU A 66 11.538 -17.500 -0.957 1.00 0.00 O ATOM 993 CB GLU A 66 9.601 -15.128 -2.152 1.00 0.00 C ATOM 994 CG GLU A 66 10.266 -15.769 -3.358 1.00 0.00 C ATOM 995 CD GLU A 66 10.051 -14.977 -4.633 1.00 0.00 C ATOM 996 OE1 GLU A 66 10.079 -13.730 -4.569 1.00 0.00 O ATOM 997 OE2 GLU A 66 9.856 -15.604 -5.695 1.00 0.00 O ATOM 0 H GLU A 66 11.713 -14.033 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 66 9.675 -15.092 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.564 -15.461 -2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.582 -14.047 -2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.335 -15.865 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.874 -16.777 -3.491 1.00 0.00 H new ATOM 1004 N SER A 67 9.406 -17.631 -0.250 1.00 0.00 N ATOM 1005 CA SER A 67 9.440 -19.077 -0.065 1.00 0.00 C ATOM 1006 C SER A 67 9.973 -19.772 -1.314 1.00 0.00 C ATOM 1007 O SER A 67 9.752 -19.315 -2.434 1.00 0.00 O ATOM 1008 CB SER A 67 8.043 -19.603 0.269 1.00 0.00 C ATOM 1009 OG SER A 67 7.778 -19.504 1.657 1.00 0.00 O ATOM 0 H SER A 67 8.512 -17.198 -0.021 1.00 0.00 H new ATOM 0 HA SER A 67 10.111 -19.297 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.296 -19.038 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.957 -20.643 -0.047 1.00 0.00 H new ATOM 0 HG SER A 67 6.878 -19.845 1.843 1.00 0.00 H new ATOM 1015 N GLY A 68 10.677 -20.881 -1.111 1.00 0.00 N ATOM 1016 CA GLY A 68 11.232 -21.623 -2.229 1.00 0.00 C ATOM 1017 C GLY A 68 12.501 -22.364 -1.860 1.00 0.00 C ATOM 1018 O GLY A 68 13.096 -22.136 -0.807 1.00 0.00 O ATOM 0 H GLY A 68 10.873 -21.279 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.491 -22.336 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.441 -20.936 -3.049 1.00 0.00 H new ATOM 1022 N PRO A 69 12.934 -23.278 -2.741 1.00 0.00 N ATOM 1023 CA PRO A 69 14.145 -24.076 -2.524 1.00 0.00 C ATOM 1024 C PRO A 69 15.415 -23.238 -2.620 1.00 0.00 C ATOM 1025 O PRO A 69 15.732 -22.692 -3.677 1.00 0.00 O ATOM 1026 CB PRO A 69 14.098 -25.107 -3.654 1.00 0.00 C ATOM 1027 CG PRO A 69 13.289 -24.459 -4.725 1.00 0.00 C ATOM 1028 CD PRO A 69 12.275 -23.604 -4.017 1.00 0.00 C ATOM 0 HA PRO A 69 14.170 -24.517 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.099 -25.352 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 69 13.640 -26.039 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.919 -23.856 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.801 -25.206 -5.351 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.038 -22.706 -4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.338 -24.139 -3.860 1.00 0.00 H new ATOM 1036 N SER A 70 16.140 -23.142 -1.510 1.00 0.00 N ATOM 1037 CA SER A 70 17.375 -22.368 -1.468 1.00 0.00 C ATOM 1038 C SER A 70 18.100 -22.572 -0.141 1.00 0.00 C ATOM 1039 O SER A 70 17.570 -23.195 0.778 1.00 0.00 O ATOM 1040 CB SER A 70 17.078 -20.881 -1.675 1.00 0.00 C ATOM 1041 OG SER A 70 16.304 -20.362 -0.608 1.00 0.00 O ATOM 0 H SER A 70 15.893 -23.591 -0.628 1.00 0.00 H new ATOM 0 HA SER A 70 18.021 -22.718 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.014 -20.327 -1.752 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.546 -20.741 -2.616 1.00 0.00 H new ATOM 0 HG SER A 70 16.129 -19.410 -0.763 1.00 0.00 H new ATOM 1047 N SER A 71 19.316 -22.043 -0.051 1.00 0.00 N ATOM 1048 CA SER A 71 20.117 -22.171 1.161 1.00 0.00 C ATOM 1049 C SER A 71 19.234 -22.117 2.404 1.00 0.00 C ATOM 1050 O SER A 71 18.183 -21.479 2.405 1.00 0.00 O ATOM 1051 CB SER A 71 21.169 -21.062 1.221 1.00 0.00 C ATOM 1052 OG SER A 71 20.566 -19.797 1.431 1.00 0.00 O ATOM 0 H SER A 71 19.768 -21.522 -0.802 1.00 0.00 H new ATOM 0 HA SER A 71 20.619 -23.138 1.135 1.00 0.00 H new ATOM 0 HB2 SER A 71 21.875 -21.270 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 71 21.739 -21.047 0.292 1.00 0.00 H new ATOM 0 HG SER A 71 21.260 -19.106 1.467 1.00 0.00 H new ATOM 1058 N GLY A 72 19.670 -22.794 3.462 1.00 0.00 N ATOM 1059 CA GLY A 72 18.908 -22.812 4.697 1.00 0.00 C ATOM 1060 C GLY A 72 18.115 -24.092 4.871 1.00 0.00 C ATOM 1061 O GLY A 72 18.556 -24.975 5.606 1.00 0.00 O ATOM 0 H GLY A 72 20.537 -23.330 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.587 -22.692 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.227 -21.961 4.712 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 200 -6.111 7.566 -1.087 1.00 0.00 ZN HETATM 1067 ZN ZN A 400 -7.659 -2.432 -5.453 1.00 0.00 ZN