USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 MET CE :methyl 144:sc= -0.0494 (180deg=-0.669) USER MOD Set 1.2: A 77 MET CE :methyl -118:sc= -2.31 (180deg=-4.54!) USER MOD Set 2.1: A 48 GLN : amide:sc= -4.24! K(o=-3.1!,f=-0.52) USER MOD Set 2.2: A 66 THR OG1 : rot 76:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00574 USER MOD Single : A 6 SER OG : rot -56:sc= 0.0138 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 127:sc= -2.69! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.94 K(o=-1.9,f=-3.4!) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc=-7.03e-06 (180deg=-0.0831) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0954 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot -22:sc= 0.752 USER MOD Single : A 76 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc=-0.00371 K(o=-0.0037,f=-1.3) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 26:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.615 -5.268 -18.955 1.00 0.00 N ATOM 2 CA GLY A 1 -7.418 -6.672 -19.266 1.00 0.00 C ATOM 3 C GLY A 1 -8.238 -7.584 -18.374 1.00 0.00 C ATOM 4 O GLY A 1 -7.695 -8.464 -17.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.033 -4.687 -19.592 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.618 -5.022 -19.081 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.335 -5.088 -17.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.685 -6.851 -20.307 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.362 -6.920 -19.161 1.00 0.00 H new ATOM 8 N SER A 2 -9.550 -7.372 -18.361 1.00 0.00 N ATOM 9 CA SER A 2 -10.446 -8.178 -17.541 1.00 0.00 C ATOM 10 C SER A 2 -11.325 -9.071 -18.412 1.00 0.00 C ATOM 11 O SER A 2 -12.522 -9.217 -18.162 1.00 0.00 O ATOM 12 CB SER A 2 -11.322 -7.277 -16.668 1.00 0.00 C ATOM 13 OG SER A 2 -12.267 -6.571 -17.452 1.00 0.00 O ATOM 0 H SER A 2 -10.016 -6.649 -18.909 1.00 0.00 H new ATOM 0 HA SER A 2 -9.837 -8.813 -16.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.841 -7.880 -15.923 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.695 -6.570 -16.125 1.00 0.00 H new ATOM 0 HG SER A 2 -12.816 -6.004 -16.871 1.00 0.00 H new ATOM 19 N SER A 3 -10.722 -9.665 -19.436 1.00 0.00 N ATOM 20 CA SER A 3 -11.449 -10.541 -20.348 1.00 0.00 C ATOM 21 C SER A 3 -11.946 -11.788 -19.623 1.00 0.00 C ATOM 22 O SER A 3 -11.385 -12.194 -18.606 1.00 0.00 O ATOM 23 CB SER A 3 -10.557 -10.942 -21.524 1.00 0.00 C ATOM 24 OG SER A 3 -10.404 -9.870 -22.438 1.00 0.00 O ATOM 0 H SER A 3 -9.732 -9.556 -19.655 1.00 0.00 H new ATOM 0 HA SER A 3 -12.312 -9.994 -20.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.579 -11.251 -21.154 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.990 -11.801 -22.036 1.00 0.00 H new ATOM 0 HG SER A 3 -9.828 -10.152 -23.179 1.00 0.00 H new ATOM 30 N GLY A 4 -13.005 -12.392 -20.155 1.00 0.00 N ATOM 31 CA GLY A 4 -13.561 -13.586 -19.547 1.00 0.00 C ATOM 32 C GLY A 4 -14.510 -14.320 -20.473 1.00 0.00 C ATOM 33 O GLY A 4 -15.366 -13.706 -21.109 1.00 0.00 O ATOM 0 H GLY A 4 -13.487 -12.075 -20.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.750 -14.255 -19.259 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.089 -13.313 -18.633 1.00 0.00 H new ATOM 37 N SER A 5 -14.358 -15.639 -20.550 1.00 0.00 N ATOM 38 CA SER A 5 -15.206 -16.457 -21.409 1.00 0.00 C ATOM 39 C SER A 5 -16.523 -16.790 -20.715 1.00 0.00 C ATOM 40 O SER A 5 -16.988 -17.929 -20.756 1.00 0.00 O ATOM 41 CB SER A 5 -14.481 -17.746 -21.798 1.00 0.00 C ATOM 42 OG SER A 5 -14.321 -18.600 -20.678 1.00 0.00 O ATOM 0 H SER A 5 -13.656 -16.163 -20.028 1.00 0.00 H new ATOM 0 HA SER A 5 -15.426 -15.886 -22.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.044 -18.263 -22.576 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.504 -17.505 -22.218 1.00 0.00 H new ATOM 0 HG SER A 5 -13.856 -19.418 -20.954 1.00 0.00 H new ATOM 48 N SER A 6 -17.119 -15.788 -20.077 1.00 0.00 N ATOM 49 CA SER A 6 -18.380 -15.974 -19.369 1.00 0.00 C ATOM 50 C SER A 6 -18.192 -16.871 -18.150 1.00 0.00 C ATOM 51 O SER A 6 -19.050 -17.692 -17.830 1.00 0.00 O ATOM 52 CB SER A 6 -19.429 -16.580 -20.304 1.00 0.00 C ATOM 53 OG SER A 6 -20.741 -16.319 -19.836 1.00 0.00 O ATOM 0 H SER A 6 -16.749 -14.839 -20.036 1.00 0.00 H new ATOM 0 HA SER A 6 -18.725 -14.997 -19.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.308 -16.169 -21.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.274 -17.656 -20.380 1.00 0.00 H new ATOM 0 HG SER A 6 -20.834 -16.653 -18.919 1.00 0.00 H new ATOM 59 N GLY A 7 -17.060 -16.707 -17.471 1.00 0.00 N ATOM 60 CA GLY A 7 -16.777 -17.508 -16.294 1.00 0.00 C ATOM 61 C GLY A 7 -15.991 -16.743 -15.248 1.00 0.00 C ATOM 62 O GLY A 7 -14.833 -16.387 -15.467 1.00 0.00 O ATOM 0 H GLY A 7 -16.334 -16.034 -17.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.715 -17.853 -15.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.217 -18.395 -16.588 1.00 0.00 H new ATOM 66 N THR A 8 -16.622 -16.488 -14.106 1.00 0.00 N ATOM 67 CA THR A 8 -15.975 -15.758 -13.022 1.00 0.00 C ATOM 68 C THR A 8 -14.524 -16.196 -12.854 1.00 0.00 C ATOM 69 O THR A 8 -14.233 -17.388 -12.760 1.00 0.00 O ATOM 70 CB THR A 8 -16.718 -15.959 -11.688 1.00 0.00 C ATOM 71 OG1 THR A 8 -16.069 -15.216 -10.650 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.766 -17.432 -11.311 1.00 0.00 C ATOM 0 H THR A 8 -17.580 -16.776 -13.908 1.00 0.00 H new ATOM 0 HA THR A 8 -16.004 -14.702 -13.290 1.00 0.00 H new ATOM 0 HB THR A 8 -17.740 -15.599 -11.808 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.548 -15.347 -9.805 1.00 0.00 H new ATOM 0 HG21 THR A 8 -17.296 -17.548 -10.365 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.286 -17.990 -12.089 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.751 -17.814 -11.208 1.00 0.00 H new ATOM 80 N ASP A 9 -13.619 -15.224 -12.816 1.00 0.00 N ATOM 81 CA ASP A 9 -12.198 -15.509 -12.657 1.00 0.00 C ATOM 82 C ASP A 9 -11.952 -16.378 -11.427 1.00 0.00 C ATOM 83 O ASP A 9 -12.631 -16.258 -10.406 1.00 0.00 O ATOM 84 CB ASP A 9 -11.404 -14.207 -12.543 1.00 0.00 C ATOM 85 CG ASP A 9 -11.860 -13.162 -13.542 1.00 0.00 C ATOM 86 OD1 ASP A 9 -12.350 -13.550 -14.623 1.00 0.00 O ATOM 87 OD2 ASP A 9 -11.726 -11.957 -13.243 1.00 0.00 O ATOM 0 H ASP A 9 -13.844 -14.232 -12.893 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.862 -16.055 -13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.507 -13.809 -11.533 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.345 -14.416 -12.697 1.00 0.00 H new ATOM 92 N PRO A 10 -10.961 -17.276 -11.525 1.00 0.00 N ATOM 93 CA PRO A 10 -10.603 -18.183 -10.430 1.00 0.00 C ATOM 94 C PRO A 10 -9.958 -17.451 -9.258 1.00 0.00 C ATOM 95 O PRO A 10 -9.495 -16.320 -9.399 1.00 0.00 O ATOM 96 CB PRO A 10 -9.602 -19.143 -11.078 1.00 0.00 C ATOM 97 CG PRO A 10 -9.015 -18.372 -12.209 1.00 0.00 C ATOM 98 CD PRO A 10 -10.111 -17.474 -12.711 1.00 0.00 C ATOM 0 HA PRO A 10 -11.478 -18.678 -10.008 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.834 -19.452 -10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.094 -20.050 -11.430 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.154 -17.790 -11.879 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.666 -19.040 -12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.717 -16.529 -13.085 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.664 -17.934 -13.529 1.00 0.00 H new ATOM 106 N GLY A 11 -9.930 -18.106 -8.101 1.00 0.00 N ATOM 107 CA GLY A 11 -9.338 -17.501 -6.921 1.00 0.00 C ATOM 108 C GLY A 11 -9.887 -16.117 -6.642 1.00 0.00 C ATOM 109 O GLY A 11 -9.128 -15.166 -6.455 1.00 0.00 O ATOM 0 H GLY A 11 -10.306 -19.044 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.520 -18.141 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.257 -17.441 -7.051 1.00 0.00 H new ATOM 113 N ALA A 12 -11.211 -16.001 -6.615 1.00 0.00 N ATOM 114 CA ALA A 12 -11.861 -14.722 -6.356 1.00 0.00 C ATOM 115 C ALA A 12 -12.137 -14.538 -4.868 1.00 0.00 C ATOM 116 O ALA A 12 -13.198 -14.049 -4.480 1.00 0.00 O ATOM 117 CB ALA A 12 -13.154 -14.617 -7.152 1.00 0.00 C ATOM 0 H ALA A 12 -11.854 -16.777 -6.769 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.186 -13.928 -6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.629 -13.657 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.933 -14.695 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.827 -15.424 -6.861 1.00 0.00 H new ATOM 123 N GLU A 13 -11.176 -14.933 -4.039 1.00 0.00 N ATOM 124 CA GLU A 13 -11.317 -14.812 -2.593 1.00 0.00 C ATOM 125 C GLU A 13 -9.978 -15.031 -1.895 1.00 0.00 C ATOM 126 O GLU A 13 -9.258 -15.982 -2.196 1.00 0.00 O ATOM 127 CB GLU A 13 -12.346 -15.818 -2.073 1.00 0.00 C ATOM 128 CG GLU A 13 -11.907 -17.266 -2.216 1.00 0.00 C ATOM 129 CD GLU A 13 -12.842 -18.231 -1.514 1.00 0.00 C ATOM 130 OE1 GLU A 13 -13.534 -17.803 -0.566 1.00 0.00 O ATOM 131 OE2 GLU A 13 -12.883 -19.414 -1.911 1.00 0.00 O ATOM 0 H GLU A 13 -10.292 -15.339 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.662 -13.802 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.546 -15.610 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.284 -15.677 -2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.853 -17.523 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.902 -17.379 -1.809 1.00 0.00 H new ATOM 138 N GLU A 14 -9.652 -14.142 -0.962 1.00 0.00 N ATOM 139 CA GLU A 14 -8.398 -14.237 -0.222 1.00 0.00 C ATOM 140 C GLU A 14 -8.466 -13.427 1.070 1.00 0.00 C ATOM 141 O GLU A 14 -9.441 -12.717 1.320 1.00 0.00 O ATOM 142 CB GLU A 14 -7.233 -13.745 -1.084 1.00 0.00 C ATOM 143 CG GLU A 14 -7.270 -12.252 -1.364 1.00 0.00 C ATOM 144 CD GLU A 14 -5.951 -11.725 -1.894 1.00 0.00 C ATOM 145 OE1 GLU A 14 -4.937 -11.835 -1.174 1.00 0.00 O ATOM 146 OE2 GLU A 14 -5.933 -11.203 -3.028 1.00 0.00 O ATOM 0 H GLU A 14 -10.238 -13.349 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.235 -15.284 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.295 -13.989 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.240 -14.284 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.058 -12.041 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.527 -11.721 -0.448 1.00 0.00 H new ATOM 153 N LEU A 15 -7.425 -13.540 1.886 1.00 0.00 N ATOM 154 CA LEU A 15 -7.365 -12.819 3.154 1.00 0.00 C ATOM 155 C LEU A 15 -7.974 -11.428 3.018 1.00 0.00 C ATOM 156 O LEU A 15 -7.848 -10.765 1.988 1.00 0.00 O ATOM 157 CB LEU A 15 -5.917 -12.710 3.633 1.00 0.00 C ATOM 158 CG LEU A 15 -5.192 -14.033 3.884 1.00 0.00 C ATOM 159 CD1 LEU A 15 -3.686 -13.845 3.776 1.00 0.00 C ATOM 160 CD2 LEU A 15 -5.564 -14.594 5.249 1.00 0.00 C ATOM 0 H LEU A 15 -6.611 -14.123 1.694 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.943 -13.378 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.352 -12.144 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.903 -12.130 4.556 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.504 -14.747 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.187 -14.797 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.435 -13.488 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.356 -13.115 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.039 -15.535 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.280 -13.882 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.639 -14.766 5.291 1.00 0.00 H new ATOM 172 N PRO A 16 -8.650 -10.971 4.083 1.00 0.00 N ATOM 173 CA PRO A 16 -9.289 -9.652 4.108 1.00 0.00 C ATOM 174 C PRO A 16 -8.273 -8.515 4.142 1.00 0.00 C ATOM 175 O PRO A 16 -7.494 -8.395 5.087 1.00 0.00 O ATOM 176 CB PRO A 16 -10.105 -9.678 5.403 1.00 0.00 C ATOM 177 CG PRO A 16 -9.406 -10.666 6.272 1.00 0.00 C ATOM 178 CD PRO A 16 -8.841 -11.706 5.344 1.00 0.00 C ATOM 0 HA PRO A 16 -9.886 -9.472 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.138 -8.694 5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.136 -9.976 5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.615 -10.187 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.096 -11.114 6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.901 -12.111 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.523 -12.547 5.220 1.00 0.00 H new ATOM 186 N ALA A 17 -8.288 -7.684 3.105 1.00 0.00 N ATOM 187 CA ALA A 17 -7.369 -6.555 3.018 1.00 0.00 C ATOM 188 C ALA A 17 -8.048 -5.260 3.450 1.00 0.00 C ATOM 189 O ALA A 17 -8.885 -4.717 2.728 1.00 0.00 O ATOM 190 CB ALA A 17 -6.827 -6.424 1.603 1.00 0.00 C ATOM 0 H ALA A 17 -8.926 -7.771 2.314 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.537 -6.742 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.142 -5.577 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.296 -7.336 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.653 -6.264 0.910 1.00 0.00 H new ATOM 196 N ARG A 18 -7.683 -4.771 4.630 1.00 0.00 N ATOM 197 CA ARG A 18 -8.259 -3.540 5.158 1.00 0.00 C ATOM 198 C ARG A 18 -7.985 -2.366 4.222 1.00 0.00 C ATOM 199 O ARG A 18 -6.838 -2.103 3.860 1.00 0.00 O ATOM 200 CB ARG A 18 -7.693 -3.241 6.547 1.00 0.00 C ATOM 201 CG ARG A 18 -8.202 -4.182 7.627 1.00 0.00 C ATOM 202 CD ARG A 18 -7.259 -4.223 8.820 1.00 0.00 C ATOM 203 NE ARG A 18 -7.516 -3.134 9.759 1.00 0.00 N ATOM 204 CZ ARG A 18 -8.512 -3.143 10.639 1.00 0.00 C ATOM 205 NH1 ARG A 18 -9.338 -4.178 10.699 1.00 0.00 N ATOM 206 NH2 ARG A 18 -8.682 -2.115 11.460 1.00 0.00 N ATOM 0 H ARG A 18 -6.991 -5.208 5.239 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.338 -3.678 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.605 -3.301 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.946 -2.217 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.191 -3.861 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.313 -5.185 7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.367 -5.178 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.229 -4.164 8.470 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.898 -2.323 9.738 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.210 -4.970 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.102 -4.183 11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.048 -1.317 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.447 -2.123 12.135 1.00 0.00 H new ATOM 220 N ILE A 19 -9.045 -1.666 3.834 1.00 0.00 N ATOM 221 CA ILE A 19 -8.918 -0.521 2.941 1.00 0.00 C ATOM 222 C ILE A 19 -8.705 0.768 3.727 1.00 0.00 C ATOM 223 O ILE A 19 -9.511 1.124 4.587 1.00 0.00 O ATOM 224 CB ILE A 19 -10.162 -0.363 2.046 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.548 -1.710 1.431 1.00 0.00 C ATOM 226 CG2 ILE A 19 -9.905 0.668 0.958 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.665 -2.121 0.274 1.00 0.00 C ATOM 0 H ILE A 19 -10.001 -1.871 4.124 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.049 -0.708 2.311 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.992 -0.014 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.503 -2.479 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.582 -1.661 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.793 0.768 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.673 1.630 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.064 0.346 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.997 -3.085 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.728 -1.372 -0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.633 -2.202 0.615 1.00 0.00 H new ATOM 239 N PHE A 20 -7.615 1.466 3.425 1.00 0.00 N ATOM 240 CA PHE A 20 -7.295 2.717 4.103 1.00 0.00 C ATOM 241 C PHE A 20 -7.040 3.832 3.093 1.00 0.00 C ATOM 242 O PHE A 20 -6.247 3.676 2.165 1.00 0.00 O ATOM 243 CB PHE A 20 -6.070 2.536 5.001 1.00 0.00 C ATOM 244 CG PHE A 20 -6.406 2.062 6.386 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.039 0.845 6.580 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.089 2.833 7.492 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.350 0.405 7.853 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.397 2.398 8.768 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.029 1.183 8.948 1.00 0.00 C ATOM 0 H PHE A 20 -6.938 1.186 2.715 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.149 2.997 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.391 1.821 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.537 3.484 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.292 0.233 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.596 3.784 7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.843 -0.546 7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.144 3.008 9.623 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.272 0.842 9.944 1.00 0.00 H new ATOM 259 N VAL A 21 -7.719 4.959 3.281 1.00 0.00 N ATOM 260 CA VAL A 21 -7.567 6.102 2.389 1.00 0.00 C ATOM 261 C VAL A 21 -6.599 7.127 2.968 1.00 0.00 C ATOM 262 O VAL A 21 -6.623 7.411 4.165 1.00 0.00 O ATOM 263 CB VAL A 21 -8.920 6.787 2.118 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.262 7.757 3.238 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.896 7.498 0.773 1.00 0.00 C ATOM 0 H VAL A 21 -8.380 5.105 4.044 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.167 5.719 1.450 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.695 6.022 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.221 8.231 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.323 7.216 4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.487 8.521 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.859 7.977 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.110 8.254 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.701 6.774 -0.018 1.00 0.00 H new ATOM 275 N ALA A 22 -5.747 7.679 2.111 1.00 0.00 N ATOM 276 CA ALA A 22 -4.771 8.675 2.537 1.00 0.00 C ATOM 277 C ALA A 22 -5.441 10.016 2.815 1.00 0.00 C ATOM 278 O ALA A 22 -6.181 10.537 1.979 1.00 0.00 O ATOM 279 CB ALA A 22 -3.685 8.833 1.484 1.00 0.00 C ATOM 0 H ALA A 22 -5.713 7.453 1.117 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.315 8.328 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.963 9.580 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.179 7.879 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.134 9.154 0.544 1.00 0.00 H new ATOM 285 N LEU A 23 -5.178 10.570 3.993 1.00 0.00 N ATOM 286 CA LEU A 23 -5.757 11.852 4.381 1.00 0.00 C ATOM 287 C LEU A 23 -4.856 13.007 3.956 1.00 0.00 C ATOM 288 O LEU A 23 -5.289 14.159 3.903 1.00 0.00 O ATOM 289 CB LEU A 23 -5.980 11.895 5.894 1.00 0.00 C ATOM 290 CG LEU A 23 -6.810 10.754 6.483 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.775 10.797 8.003 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.244 10.821 5.979 1.00 0.00 C ATOM 0 H LEU A 23 -4.568 10.152 4.696 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.716 11.958 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.007 11.900 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.467 12.838 6.143 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.375 9.809 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.371 9.977 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.745 10.698 8.346 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.183 11.746 8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.819 10.001 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.689 11.771 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.252 10.739 4.892 1.00 0.00 H new ATOM 304 N PHE A 24 -3.602 12.692 3.651 1.00 0.00 N ATOM 305 CA PHE A 24 -2.641 13.703 3.228 1.00 0.00 C ATOM 306 C PHE A 24 -1.453 13.061 2.517 1.00 0.00 C ATOM 307 O PHE A 24 -0.950 12.021 2.941 1.00 0.00 O ATOM 308 CB PHE A 24 -2.152 14.509 4.434 1.00 0.00 C ATOM 309 CG PHE A 24 -3.233 14.804 5.435 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.583 13.866 6.392 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.898 16.019 5.418 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.577 14.134 7.314 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.893 16.294 6.338 1.00 0.00 C ATOM 314 CZ PHE A 24 -5.232 15.350 7.288 1.00 0.00 C ATOM 0 H PHE A 24 -3.227 11.744 3.689 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.141 14.374 2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.351 13.959 4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.725 15.449 4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.073 12.914 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.636 16.760 4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.841 13.393 8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.404 17.245 6.314 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.008 15.562 8.009 1.00 0.00 H new ATOM 324 N ASP A 25 -1.011 13.688 1.432 1.00 0.00 N ATOM 325 CA ASP A 25 0.117 13.180 0.661 1.00 0.00 C ATOM 326 C ASP A 25 1.259 12.761 1.581 1.00 0.00 C ATOM 327 O ASP A 25 1.500 13.388 2.613 1.00 0.00 O ATOM 328 CB ASP A 25 0.605 14.239 -0.329 1.00 0.00 C ATOM 329 CG ASP A 25 0.492 15.645 0.226 1.00 0.00 C ATOM 330 OD1 ASP A 25 1.044 15.899 1.317 1.00 0.00 O ATOM 331 OD2 ASP A 25 -0.148 16.492 -0.431 1.00 0.00 O ATOM 0 H ASP A 25 -1.417 14.549 1.067 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.219 12.304 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.644 14.037 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.025 14.167 -1.249 1.00 0.00 H new ATOM 336 N TYR A 26 1.958 11.697 1.201 1.00 0.00 N ATOM 337 CA TYR A 26 3.073 11.192 1.994 1.00 0.00 C ATOM 338 C TYR A 26 4.335 11.074 1.145 1.00 0.00 C ATOM 339 O TYR A 26 4.332 10.435 0.093 1.00 0.00 O ATOM 340 CB TYR A 26 2.722 9.831 2.598 1.00 0.00 C ATOM 341 CG TYR A 26 3.857 9.201 3.372 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.817 9.986 3.998 1.00 0.00 C ATOM 343 CD2 TYR A 26 3.969 7.820 3.478 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.857 9.414 4.706 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.004 7.240 4.185 1.00 0.00 C ATOM 346 CZ TYR A 26 5.946 8.041 4.797 1.00 0.00 C ATOM 347 OH TYR A 26 6.979 7.468 5.502 1.00 0.00 O ATOM 0 H TYR A 26 1.772 11.168 0.349 1.00 0.00 H new ATOM 0 HA TYR A 26 3.263 11.901 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.863 9.947 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.420 9.155 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.749 11.062 3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.234 7.190 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.596 10.039 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.076 6.165 4.258 1.00 0.00 H new ATOM 0 HH TYR A 26 6.616 6.841 6.162 1.00 0.00 H new ATOM 357 N ASP A 27 5.414 11.694 1.611 1.00 0.00 N ATOM 358 CA ASP A 27 6.685 11.658 0.898 1.00 0.00 C ATOM 359 C ASP A 27 7.813 11.205 1.819 1.00 0.00 C ATOM 360 O ASP A 27 8.387 11.994 2.571 1.00 0.00 O ATOM 361 CB ASP A 27 7.007 13.035 0.315 1.00 0.00 C ATOM 362 CG ASP A 27 6.341 13.266 -1.027 1.00 0.00 C ATOM 363 OD1 ASP A 27 5.099 13.157 -1.101 1.00 0.00 O ATOM 364 OD2 ASP A 27 7.062 13.555 -2.005 1.00 0.00 O ATOM 0 H ASP A 27 5.433 12.228 2.480 1.00 0.00 H new ATOM 0 HA ASP A 27 6.595 10.939 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.685 13.807 1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.087 13.136 0.204 1.00 0.00 H new ATOM 369 N PRO A 28 8.138 9.905 1.763 1.00 0.00 N ATOM 370 CA PRO A 28 9.200 9.319 2.587 1.00 0.00 C ATOM 371 C PRO A 28 10.588 9.785 2.162 1.00 0.00 C ATOM 372 O PRO A 28 11.544 9.706 2.935 1.00 0.00 O ATOM 373 CB PRO A 28 9.044 7.815 2.347 1.00 0.00 C ATOM 374 CG PRO A 28 8.396 7.709 1.010 1.00 0.00 C ATOM 375 CD PRO A 28 7.496 8.908 0.891 1.00 0.00 C ATOM 0 HA PRO A 28 9.112 9.610 3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.010 7.310 2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.432 7.352 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.141 7.700 0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.827 6.783 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.429 9.259 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.481 8.682 1.218 1.00 0.00 H new ATOM 383 N LEU A 29 10.692 10.272 0.931 1.00 0.00 N ATOM 384 CA LEU A 29 11.965 10.753 0.403 1.00 0.00 C ATOM 385 C LEU A 29 12.264 12.162 0.903 1.00 0.00 C ATOM 386 O LEU A 29 13.419 12.517 1.140 1.00 0.00 O ATOM 387 CB LEU A 29 11.944 10.735 -1.127 1.00 0.00 C ATOM 388 CG LEU A 29 11.496 9.425 -1.777 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.572 9.529 -3.292 1.00 0.00 C ATOM 390 CD2 LEU A 29 12.343 8.264 -1.277 1.00 0.00 C ATOM 0 H LEU A 29 9.911 10.345 0.279 1.00 0.00 H new ATOM 0 HA LEU A 29 12.752 10.088 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.285 11.532 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.945 10.972 -1.487 1.00 0.00 H new ATOM 0 HG LEU A 29 10.459 9.238 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.250 8.588 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.922 10.334 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.599 9.739 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.010 7.340 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.389 8.443 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.238 8.176 -0.196 1.00 0.00 H new ATOM 402 N THR A 30 11.215 12.963 1.062 1.00 0.00 N ATOM 403 CA THR A 30 11.364 14.334 1.535 1.00 0.00 C ATOM 404 C THR A 30 11.141 14.424 3.040 1.00 0.00 C ATOM 405 O THR A 30 11.964 14.980 3.767 1.00 0.00 O ATOM 406 CB THR A 30 10.382 15.284 0.824 1.00 0.00 C ATOM 407 OG1 THR A 30 9.068 15.127 1.369 1.00 0.00 O ATOM 408 CG2 THR A 30 10.352 15.010 -0.672 1.00 0.00 C ATOM 0 H THR A 30 10.252 12.686 0.870 1.00 0.00 H new ATOM 0 HA THR A 30 12.385 14.639 1.303 1.00 0.00 H new ATOM 0 HB THR A 30 10.721 16.308 0.983 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.450 15.736 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.652 15.693 -1.153 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.348 15.158 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.035 13.982 -0.847 1.00 0.00 H new ATOM 416 N MET A 31 10.023 13.873 3.501 1.00 0.00 N ATOM 417 CA MET A 31 9.693 13.890 4.922 1.00 0.00 C ATOM 418 C MET A 31 10.762 13.171 5.737 1.00 0.00 C ATOM 419 O MET A 31 11.467 13.789 6.535 1.00 0.00 O ATOM 420 CB MET A 31 8.329 13.237 5.158 1.00 0.00 C ATOM 421 CG MET A 31 7.175 13.990 4.517 1.00 0.00 C ATOM 422 SD MET A 31 5.617 13.749 5.392 1.00 0.00 S ATOM 423 CE MET A 31 4.446 14.306 4.157 1.00 0.00 C ATOM 0 H MET A 31 9.331 13.410 2.912 1.00 0.00 H new ATOM 0 HA MET A 31 9.652 14.929 5.248 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.350 12.220 4.767 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.152 13.162 6.231 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.411 15.054 4.490 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.061 13.662 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.545 13.695 4.208 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.188 15.348 4.344 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.891 14.214 3.166 1.00 0.00 H new ATOM 433 N SER A 32 10.877 11.863 5.532 1.00 0.00 N ATOM 434 CA SER A 32 11.858 11.059 6.251 1.00 0.00 C ATOM 435 C SER A 32 13.262 11.629 6.074 1.00 0.00 C ATOM 436 O SER A 32 13.691 11.959 4.968 1.00 0.00 O ATOM 437 CB SER A 32 11.818 9.610 5.764 1.00 0.00 C ATOM 438 OG SER A 32 12.196 8.714 6.795 1.00 0.00 O ATOM 0 H SER A 32 10.302 11.337 4.873 1.00 0.00 H new ATOM 0 HA SER A 32 11.605 11.085 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.813 9.367 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.487 9.491 4.911 1.00 0.00 H new ATOM 0 HG SER A 32 12.160 7.794 6.458 1.00 0.00 H new ATOM 444 N PRO A 33 13.997 11.748 7.190 1.00 0.00 N ATOM 445 CA PRO A 33 15.364 12.277 7.185 1.00 0.00 C ATOM 446 C PRO A 33 16.352 11.326 6.518 1.00 0.00 C ATOM 447 O PRO A 33 17.381 11.751 5.995 1.00 0.00 O ATOM 448 CB PRO A 33 15.691 12.431 8.672 1.00 0.00 C ATOM 449 CG PRO A 33 14.813 11.442 9.357 1.00 0.00 C ATOM 450 CD PRO A 33 13.551 11.374 8.542 1.00 0.00 C ATOM 0 HA PRO A 33 15.439 13.206 6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.744 12.229 8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.491 13.445 9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.294 10.466 9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.601 11.752 10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.115 10.375 8.559 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.792 12.060 8.919 1.00 0.00 H new ATOM 458 N ASN A 34 16.031 10.036 6.541 1.00 0.00 N ATOM 459 CA ASN A 34 16.891 9.024 5.939 1.00 0.00 C ATOM 460 C ASN A 34 16.198 8.355 4.756 1.00 0.00 C ATOM 461 O ASN A 34 15.107 7.797 4.878 1.00 0.00 O ATOM 462 CB ASN A 34 17.280 7.971 6.978 1.00 0.00 C ATOM 463 CG ASN A 34 18.366 7.037 6.478 1.00 0.00 C ATOM 464 OD1 ASN A 34 19.324 7.469 5.837 1.00 0.00 O ATOM 465 ND2 ASN A 34 18.219 5.750 6.769 1.00 0.00 N ATOM 0 H ASN A 34 15.182 9.667 6.970 1.00 0.00 H new ATOM 0 HA ASN A 34 17.793 9.518 5.577 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.622 8.469 7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.399 7.388 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 34 18.917 5.074 6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 34 17.408 5.437 7.303 1.00 0.00 H new ATOM 472 N PRO A 35 16.845 8.411 3.582 1.00 0.00 N ATOM 473 CA PRO A 35 16.310 7.815 2.354 1.00 0.00 C ATOM 474 C PRO A 35 16.319 6.291 2.398 1.00 0.00 C ATOM 475 O PRO A 35 15.360 5.642 1.977 1.00 0.00 O ATOM 476 CB PRO A 35 17.262 8.324 1.269 1.00 0.00 C ATOM 477 CG PRO A 35 18.538 8.603 1.985 1.00 0.00 C ATOM 478 CD PRO A 35 18.148 9.060 3.363 1.00 0.00 C ATOM 0 HA PRO A 35 15.268 8.088 2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.403 7.580 0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.872 9.222 0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.162 7.711 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.116 9.370 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.880 8.753 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.071 10.146 3.419 1.00 0.00 H new ATOM 486 N ASP A 36 17.406 5.724 2.910 1.00 0.00 N ATOM 487 CA ASP A 36 17.538 4.276 3.010 1.00 0.00 C ATOM 488 C ASP A 36 16.327 3.666 3.709 1.00 0.00 C ATOM 489 O ASP A 36 15.776 2.663 3.255 1.00 0.00 O ATOM 490 CB ASP A 36 18.816 3.910 3.768 1.00 0.00 C ATOM 491 CG ASP A 36 20.061 4.079 2.919 1.00 0.00 C ATOM 492 OD1 ASP A 36 19.932 4.114 1.677 1.00 0.00 O ATOM 493 OD2 ASP A 36 21.163 4.178 3.496 1.00 0.00 O ATOM 0 H ASP A 36 18.209 6.246 3.262 1.00 0.00 H new ATOM 0 HA ASP A 36 17.594 3.871 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.899 4.534 4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.750 2.877 4.109 1.00 0.00 H new ATOM 498 N ALA A 37 15.917 4.278 4.815 1.00 0.00 N ATOM 499 CA ALA A 37 14.771 3.797 5.575 1.00 0.00 C ATOM 500 C ALA A 37 13.472 4.012 4.805 1.00 0.00 C ATOM 501 O ALA A 37 12.551 3.200 4.884 1.00 0.00 O ATOM 502 CB ALA A 37 14.705 4.490 6.928 1.00 0.00 C ATOM 0 H ALA A 37 16.362 5.109 5.205 1.00 0.00 H new ATOM 0 HA ALA A 37 14.896 2.726 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.844 4.120 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.616 4.281 7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.608 5.566 6.781 1.00 0.00 H new ATOM 508 N ALA A 38 13.406 5.111 4.060 1.00 0.00 N ATOM 509 CA ALA A 38 12.221 5.431 3.275 1.00 0.00 C ATOM 510 C ALA A 38 11.805 4.253 2.402 1.00 0.00 C ATOM 511 O ALA A 38 10.616 4.001 2.208 1.00 0.00 O ATOM 512 CB ALA A 38 12.473 6.663 2.418 1.00 0.00 C ATOM 0 H ALA A 38 14.160 5.794 3.984 1.00 0.00 H new ATOM 0 HA ALA A 38 11.405 5.643 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.580 6.891 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.714 7.510 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.307 6.472 1.742 1.00 0.00 H new ATOM 518 N GLU A 39 12.793 3.533 1.878 1.00 0.00 N ATOM 519 CA GLU A 39 12.528 2.382 1.023 1.00 0.00 C ATOM 520 C GLU A 39 11.509 1.447 1.670 1.00 0.00 C ATOM 521 O GLU A 39 10.635 0.905 0.996 1.00 0.00 O ATOM 522 CB GLU A 39 13.825 1.621 0.738 1.00 0.00 C ATOM 523 CG GLU A 39 14.563 2.118 -0.493 1.00 0.00 C ATOM 524 CD GLU A 39 15.846 1.352 -0.753 1.00 0.00 C ATOM 525 OE1 GLU A 39 16.611 1.132 0.209 1.00 0.00 O ATOM 526 OE2 GLU A 39 16.084 0.972 -1.918 1.00 0.00 O ATOM 0 H GLU A 39 13.783 3.727 2.031 1.00 0.00 H new ATOM 0 HA GLU A 39 12.115 2.747 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.482 1.703 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.595 0.563 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.911 2.033 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.794 3.176 -0.371 1.00 0.00 H new ATOM 533 N GLU A 40 11.631 1.265 2.981 1.00 0.00 N ATOM 534 CA GLU A 40 10.722 0.396 3.719 1.00 0.00 C ATOM 535 C GLU A 40 9.315 0.986 3.757 1.00 0.00 C ATOM 536 O GLU A 40 8.328 0.258 3.859 1.00 0.00 O ATOM 537 CB GLU A 40 11.234 0.177 5.144 1.00 0.00 C ATOM 538 CG GLU A 40 12.534 -0.607 5.210 1.00 0.00 C ATOM 539 CD GLU A 40 12.351 -2.070 4.857 1.00 0.00 C ATOM 540 OE1 GLU A 40 11.197 -2.546 4.880 1.00 0.00 O ATOM 541 OE2 GLU A 40 13.362 -2.739 4.559 1.00 0.00 O ATOM 0 H GLU A 40 12.350 1.707 3.554 1.00 0.00 H new ATOM 0 HA GLU A 40 10.681 -0.564 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.379 1.146 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.472 -0.350 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.258 -0.161 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.951 -0.529 6.214 1.00 0.00 H new ATOM 548 N GLU A 41 9.233 2.311 3.674 1.00 0.00 N ATOM 549 CA GLU A 41 7.948 2.999 3.701 1.00 0.00 C ATOM 550 C GLU A 41 7.277 2.952 2.331 1.00 0.00 C ATOM 551 O GLU A 41 7.928 2.695 1.317 1.00 0.00 O ATOM 552 CB GLU A 41 8.132 4.453 4.142 1.00 0.00 C ATOM 553 CG GLU A 41 8.462 4.604 5.617 1.00 0.00 C ATOM 554 CD GLU A 41 9.051 5.962 5.947 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.590 6.614 5.028 1.00 0.00 O ATOM 556 OE2 GLU A 41 8.974 6.372 7.124 1.00 0.00 O ATOM 0 H GLU A 41 10.041 2.928 3.588 1.00 0.00 H new ATOM 0 HA GLU A 41 7.306 2.488 4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.929 4.905 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.220 5.008 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.557 4.452 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.167 3.826 5.909 1.00 0.00 H new ATOM 563 N LEU A 42 5.973 3.203 2.309 1.00 0.00 N ATOM 564 CA LEU A 42 5.212 3.189 1.064 1.00 0.00 C ATOM 565 C LEU A 42 4.553 4.542 0.814 1.00 0.00 C ATOM 566 O LEU A 42 3.569 4.908 1.456 1.00 0.00 O ATOM 567 CB LEU A 42 4.149 2.090 1.105 1.00 0.00 C ATOM 568 CG LEU A 42 3.795 1.448 -0.237 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.583 0.541 -0.091 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.539 2.518 -1.289 1.00 0.00 C ATOM 0 H LEU A 42 5.420 3.419 3.139 1.00 0.00 H new ATOM 0 HA LEU A 42 5.903 2.986 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.491 1.306 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.239 2.508 1.536 1.00 0.00 H new ATOM 0 HG LEU A 42 4.640 0.842 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.346 0.093 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.802 -0.246 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.731 1.125 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.289 2.043 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.711 3.151 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.434 3.127 -1.414 1.00 0.00 H new ATOM 582 N PRO A 43 5.106 5.302 -0.143 1.00 0.00 N ATOM 583 CA PRO A 43 4.587 6.624 -0.503 1.00 0.00 C ATOM 584 C PRO A 43 3.238 6.545 -1.209 1.00 0.00 C ATOM 585 O PRO A 43 2.990 5.630 -1.994 1.00 0.00 O ATOM 586 CB PRO A 43 5.654 7.179 -1.449 1.00 0.00 C ATOM 587 CG PRO A 43 6.311 5.974 -2.028 1.00 0.00 C ATOM 588 CD PRO A 43 6.281 4.928 -0.949 1.00 0.00 C ATOM 0 HA PRO A 43 4.412 7.246 0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.209 7.800 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.371 7.803 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.783 5.632 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.335 6.195 -2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.181 3.925 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.195 4.937 -0.355 1.00 0.00 H new ATOM 596 N PHE A 44 2.369 7.509 -0.924 1.00 0.00 N ATOM 597 CA PHE A 44 1.044 7.548 -1.532 1.00 0.00 C ATOM 598 C PHE A 44 0.505 8.975 -1.571 1.00 0.00 C ATOM 599 O PHE A 44 0.911 9.827 -0.780 1.00 0.00 O ATOM 600 CB PHE A 44 0.078 6.648 -0.759 1.00 0.00 C ATOM 601 CG PHE A 44 0.213 6.765 0.733 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.317 7.854 1.406 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.869 5.786 1.461 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.194 7.965 2.778 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.995 5.892 2.834 1.00 0.00 C ATOM 606 CZ PHE A 44 0.462 6.982 3.493 1.00 0.00 C ATOM 0 H PHE A 44 2.558 8.274 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 44 1.131 7.183 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.944 6.897 -1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.247 5.612 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.832 8.625 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.287 4.931 0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.610 8.820 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.510 5.123 3.390 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.558 7.066 4.565 1.00 0.00 H new ATOM 616 N LYS A 45 -0.412 9.230 -2.499 1.00 0.00 N ATOM 617 CA LYS A 45 -1.008 10.552 -2.643 1.00 0.00 C ATOM 618 C LYS A 45 -2.358 10.621 -1.936 1.00 0.00 C ATOM 619 O LYS A 45 -3.047 9.611 -1.797 1.00 0.00 O ATOM 620 CB LYS A 45 -1.178 10.899 -4.124 1.00 0.00 C ATOM 621 CG LYS A 45 0.137 11.042 -4.871 1.00 0.00 C ATOM 622 CD LYS A 45 0.854 12.328 -4.494 1.00 0.00 C ATOM 623 CE LYS A 45 2.147 12.494 -5.279 1.00 0.00 C ATOM 624 NZ LYS A 45 1.890 12.755 -6.723 1.00 0.00 N ATOM 0 H LYS A 45 -0.758 8.537 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.338 11.277 -2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.776 10.124 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.737 11.831 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.778 10.188 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.050 11.030 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.200 13.180 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.073 12.325 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.724 13.317 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.753 11.594 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.778 13.029 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.515 11.894 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.197 13.525 -6.819 1.00 0.00 H new ATOM 638 N GLU A 46 -2.728 11.818 -1.492 1.00 0.00 N ATOM 639 CA GLU A 46 -3.996 12.016 -0.800 1.00 0.00 C ATOM 640 C GLU A 46 -5.150 11.411 -1.594 1.00 0.00 C ATOM 641 O GLU A 46 -5.104 11.341 -2.821 1.00 0.00 O ATOM 642 CB GLU A 46 -4.248 13.508 -0.568 1.00 0.00 C ATOM 643 CG GLU A 46 -5.486 13.793 0.266 1.00 0.00 C ATOM 644 CD GLU A 46 -5.470 15.182 0.876 1.00 0.00 C ATOM 645 OE1 GLU A 46 -4.374 15.660 1.236 1.00 0.00 O ATOM 646 OE2 GLU A 46 -6.554 15.790 0.994 1.00 0.00 O ATOM 0 H GLU A 46 -2.169 12.664 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.937 11.510 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.379 13.942 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.347 14.006 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.373 13.684 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.563 13.052 1.061 1.00 0.00 H new ATOM 653 N GLY A 47 -6.185 10.974 -0.883 1.00 0.00 N ATOM 654 CA GLY A 47 -7.336 10.379 -1.537 1.00 0.00 C ATOM 655 C GLY A 47 -6.986 9.108 -2.284 1.00 0.00 C ATOM 656 O GLY A 47 -7.707 8.696 -3.192 1.00 0.00 O ATOM 0 H GLY A 47 -6.247 11.021 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.100 10.160 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.767 11.099 -2.233 1.00 0.00 H new ATOM 660 N GLN A 48 -5.876 8.485 -1.901 1.00 0.00 N ATOM 661 CA GLN A 48 -5.431 7.254 -2.544 1.00 0.00 C ATOM 662 C GLN A 48 -5.902 6.031 -1.763 1.00 0.00 C ATOM 663 O GLN A 48 -6.185 6.118 -0.568 1.00 0.00 O ATOM 664 CB GLN A 48 -3.906 7.240 -2.665 1.00 0.00 C ATOM 665 CG GLN A 48 -3.353 5.940 -3.228 1.00 0.00 C ATOM 666 CD GLN A 48 -1.965 6.103 -3.816 1.00 0.00 C ATOM 667 OE1 GLN A 48 -1.802 6.639 -4.912 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.956 5.640 -3.089 1.00 0.00 N ATOM 0 H GLN A 48 -5.269 8.812 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.868 7.216 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.593 8.066 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.470 7.415 -1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.323 5.190 -2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.028 5.565 -3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.137 5.203 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.001 5.722 -3.434 1.00 0.00 H new ATOM 677 N ILE A 49 -5.984 4.895 -2.446 1.00 0.00 N ATOM 678 CA ILE A 49 -6.421 3.655 -1.816 1.00 0.00 C ATOM 679 C ILE A 49 -5.239 2.730 -1.547 1.00 0.00 C ATOM 680 O ILE A 49 -4.417 2.483 -2.430 1.00 0.00 O ATOM 681 CB ILE A 49 -7.451 2.913 -2.688 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.535 3.879 -3.169 1.00 0.00 C ATOM 683 CG2 ILE A 49 -8.068 1.759 -1.912 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.506 4.287 -2.083 1.00 0.00 C ATOM 0 H ILE A 49 -5.754 4.807 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.888 3.929 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.941 2.506 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.060 4.772 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.089 3.414 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.794 1.244 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.286 1.061 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.567 2.144 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.246 4.972 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.008 3.402 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.964 4.781 -1.277 1.00 0.00 H new ATOM 696 N ILE A 50 -5.161 2.220 -0.322 1.00 0.00 N ATOM 697 CA ILE A 50 -4.081 1.320 0.063 1.00 0.00 C ATOM 698 C ILE A 50 -4.629 0.032 0.669 1.00 0.00 C ATOM 699 O ILE A 50 -5.410 0.064 1.621 1.00 0.00 O ATOM 700 CB ILE A 50 -3.127 1.984 1.073 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.618 3.318 0.525 1.00 0.00 C ATOM 702 CG2 ILE A 50 -1.964 1.057 1.391 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.838 4.129 1.536 1.00 0.00 C ATOM 0 H ILE A 50 -5.833 2.415 0.420 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.527 1.085 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.675 2.177 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.985 3.128 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.467 3.906 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.298 1.540 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.344 0.130 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.414 0.836 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.508 5.062 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.474 4.351 2.393 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.969 3.560 1.866 1.00 0.00 H new ATOM 715 N LYS A 51 -4.214 -1.101 0.112 1.00 0.00 N ATOM 716 CA LYS A 51 -4.660 -2.401 0.599 1.00 0.00 C ATOM 717 C LYS A 51 -3.827 -2.848 1.796 1.00 0.00 C ATOM 718 O LYS A 51 -2.780 -3.476 1.637 1.00 0.00 O ATOM 719 CB LYS A 51 -4.569 -3.444 -0.517 1.00 0.00 C ATOM 720 CG LYS A 51 -5.780 -3.461 -1.434 1.00 0.00 C ATOM 721 CD LYS A 51 -5.657 -4.536 -2.501 1.00 0.00 C ATOM 722 CE LYS A 51 -6.828 -4.494 -3.471 1.00 0.00 C ATOM 723 NZ LYS A 51 -6.580 -5.336 -4.675 1.00 0.00 N ATOM 0 H LYS A 51 -3.569 -1.145 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.698 -2.306 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.676 -3.251 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.447 -4.431 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.681 -3.633 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.891 -2.486 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.724 -4.402 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.610 -5.517 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.731 -4.839 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.008 -3.464 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.400 -5.281 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.733 -4.992 -5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.433 -6.324 -4.384 1.00 0.00 H new ATOM 737 N VAL A 52 -4.300 -2.523 2.995 1.00 0.00 N ATOM 738 CA VAL A 52 -3.601 -2.894 4.219 1.00 0.00 C ATOM 739 C VAL A 52 -3.778 -4.377 4.526 1.00 0.00 C ATOM 740 O VAL A 52 -4.899 -4.884 4.567 1.00 0.00 O ATOM 741 CB VAL A 52 -4.099 -2.070 5.422 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.629 -2.693 6.727 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.628 -0.628 5.310 1.00 0.00 C ATOM 0 H VAL A 52 -5.165 -2.003 3.144 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.544 -2.683 4.055 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.189 -2.074 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.990 -2.097 7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.020 -3.707 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.540 -2.721 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.988 -0.060 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.539 -0.602 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.019 -0.188 4.393 1.00 0.00 H new ATOM 753 N TYR A 53 -2.664 -5.068 4.740 1.00 0.00 N ATOM 754 CA TYR A 53 -2.695 -6.494 5.041 1.00 0.00 C ATOM 755 C TYR A 53 -2.262 -6.757 6.480 1.00 0.00 C ATOM 756 O TYR A 53 -1.159 -6.393 6.885 1.00 0.00 O ATOM 757 CB TYR A 53 -1.788 -7.260 4.076 1.00 0.00 C ATOM 758 CG TYR A 53 -2.246 -7.198 2.636 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.306 -7.977 2.189 1.00 0.00 C ATOM 760 CD2 TYR A 53 -1.619 -6.359 1.723 1.00 0.00 C ATOM 761 CE1 TYR A 53 -3.727 -7.923 0.875 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.034 -6.298 0.407 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.089 -7.083 -0.012 1.00 0.00 C ATOM 764 OH TYR A 53 -3.506 -7.026 -1.322 1.00 0.00 O ATOM 0 H TYR A 53 -1.728 -4.663 4.711 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.721 -6.843 4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.777 -6.858 4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.738 -8.303 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.809 -8.636 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.793 -5.744 2.048 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.552 -8.536 0.544 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.536 -5.640 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.952 -6.384 -1.814 1.00 0.00 H new ATOM 774 N GLY A 54 -3.141 -7.393 7.249 1.00 0.00 N ATOM 775 CA GLY A 54 -2.833 -7.695 8.634 1.00 0.00 C ATOM 776 C GLY A 54 -2.805 -6.455 9.506 1.00 0.00 C ATOM 777 O GLY A 54 -3.071 -5.349 9.033 1.00 0.00 O ATOM 0 H GLY A 54 -4.061 -7.704 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.574 -8.393 9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.866 -8.195 8.687 1.00 0.00 H new ATOM 781 N ASP A 55 -2.484 -6.637 10.782 1.00 0.00 N ATOM 782 CA ASP A 55 -2.423 -5.524 11.722 1.00 0.00 C ATOM 783 C ASP A 55 -1.118 -4.750 11.563 1.00 0.00 C ATOM 784 O ASP A 55 -0.302 -5.058 10.694 1.00 0.00 O ATOM 785 CB ASP A 55 -2.557 -6.034 13.158 1.00 0.00 C ATOM 786 CG ASP A 55 -3.199 -5.013 14.077 1.00 0.00 C ATOM 787 OD1 ASP A 55 -4.373 -4.658 13.840 1.00 0.00 O ATOM 788 OD2 ASP A 55 -2.529 -4.571 15.032 1.00 0.00 O ATOM 0 H ASP A 55 -2.262 -7.545 11.189 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.252 -4.851 11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.152 -6.947 13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.571 -6.294 13.542 1.00 0.00 H new ATOM 793 N LYS A 56 -0.928 -3.742 12.408 1.00 0.00 N ATOM 794 CA LYS A 56 0.277 -2.922 12.362 1.00 0.00 C ATOM 795 C LYS A 56 1.251 -3.325 13.465 1.00 0.00 C ATOM 796 O LYS A 56 0.845 -3.608 14.592 1.00 0.00 O ATOM 797 CB LYS A 56 -0.083 -1.441 12.502 1.00 0.00 C ATOM 798 CG LYS A 56 -0.610 -1.071 13.878 1.00 0.00 C ATOM 799 CD LYS A 56 -1.223 0.320 13.884 1.00 0.00 C ATOM 800 CE LYS A 56 -1.231 0.919 15.282 1.00 0.00 C ATOM 801 NZ LYS A 56 -2.332 0.364 16.117 1.00 0.00 N ATOM 0 H LYS A 56 -1.593 -3.473 13.133 1.00 0.00 H new ATOM 0 HA LYS A 56 0.759 -3.083 11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.800 -0.839 12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.834 -1.186 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.357 -1.800 14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.202 -1.115 14.604 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.662 0.969 13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.243 0.271 13.502 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.274 0.724 15.766 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.338 2.002 15.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.303 0.797 17.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.247 0.572 15.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.216 -0.666 16.205 1.00 0.00 H new ATOM 815 N ASP A 57 2.537 -3.349 13.132 1.00 0.00 N ATOM 816 CA ASP A 57 3.569 -3.715 14.094 1.00 0.00 C ATOM 817 C ASP A 57 3.570 -2.756 15.281 1.00 0.00 C ATOM 818 O ASP A 57 2.750 -1.842 15.354 1.00 0.00 O ATOM 819 CB ASP A 57 4.944 -3.718 13.424 1.00 0.00 C ATOM 820 CG ASP A 57 5.226 -5.014 12.689 1.00 0.00 C ATOM 821 OD1 ASP A 57 5.388 -6.054 13.360 1.00 0.00 O ATOM 822 OD2 ASP A 57 5.285 -4.987 11.442 1.00 0.00 O ATOM 0 H ASP A 57 2.889 -3.119 12.203 1.00 0.00 H new ATOM 0 HA ASP A 57 3.350 -4.718 14.460 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.006 -2.885 12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.713 -3.557 14.179 1.00 0.00 H new ATOM 827 N ALA A 58 4.497 -2.973 16.209 1.00 0.00 N ATOM 828 CA ALA A 58 4.606 -2.127 17.391 1.00 0.00 C ATOM 829 C ALA A 58 4.765 -0.661 17.005 1.00 0.00 C ATOM 830 O ALA A 58 4.151 0.220 17.608 1.00 0.00 O ATOM 831 CB ALA A 58 5.774 -2.577 18.256 1.00 0.00 C ATOM 0 H ALA A 58 5.183 -3.727 16.165 1.00 0.00 H new ATOM 0 HA ALA A 58 3.684 -2.226 17.964 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.844 -1.936 19.135 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.618 -3.609 18.570 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.699 -2.508 17.683 1.00 0.00 H new ATOM 837 N ASP A 59 5.592 -0.405 15.998 1.00 0.00 N ATOM 838 CA ASP A 59 5.831 0.955 15.531 1.00 0.00 C ATOM 839 C ASP A 59 4.519 1.644 15.170 1.00 0.00 C ATOM 840 O ASP A 59 4.382 2.858 15.319 1.00 0.00 O ATOM 841 CB ASP A 59 6.766 0.945 14.321 1.00 0.00 C ATOM 842 CG ASP A 59 7.815 -0.147 14.409 1.00 0.00 C ATOM 843 OD1 ASP A 59 8.414 -0.309 15.493 1.00 0.00 O ATOM 844 OD2 ASP A 59 8.036 -0.839 13.394 1.00 0.00 O ATOM 0 H ASP A 59 6.109 -1.122 15.489 1.00 0.00 H new ATOM 0 HA ASP A 59 6.303 1.513 16.340 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.179 0.808 13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.260 1.913 14.239 1.00 0.00 H new ATOM 849 N GLY A 60 3.557 0.861 14.692 1.00 0.00 N ATOM 850 CA GLY A 60 2.269 1.414 14.315 1.00 0.00 C ATOM 851 C GLY A 60 2.150 1.642 12.821 1.00 0.00 C ATOM 852 O GLY A 60 1.527 2.609 12.381 1.00 0.00 O ATOM 0 H GLY A 60 3.646 -0.146 14.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.478 0.738 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.116 2.359 14.837 1.00 0.00 H new ATOM 856 N PHE A 61 2.750 0.751 12.039 1.00 0.00 N ATOM 857 CA PHE A 61 2.711 0.862 10.585 1.00 0.00 C ATOM 858 C PHE A 61 1.837 -0.233 9.980 1.00 0.00 C ATOM 859 O PHE A 61 1.870 -1.383 10.420 1.00 0.00 O ATOM 860 CB PHE A 61 4.126 0.778 10.008 1.00 0.00 C ATOM 861 CG PHE A 61 4.825 2.105 9.939 1.00 0.00 C ATOM 862 CD1 PHE A 61 4.530 3.007 8.930 1.00 0.00 C ATOM 863 CD2 PHE A 61 5.777 2.452 10.885 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.173 4.229 8.864 1.00 0.00 C ATOM 865 CE2 PHE A 61 6.422 3.673 10.824 1.00 0.00 C ATOM 866 CZ PHE A 61 6.119 4.563 9.813 1.00 0.00 C ATOM 0 H PHE A 61 3.269 -0.055 12.387 1.00 0.00 H new ATOM 0 HA PHE A 61 2.279 1.830 10.330 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.718 0.096 10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.077 0.350 9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.789 2.753 8.186 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.018 1.760 11.679 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.936 4.922 8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.163 3.931 11.567 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.621 5.518 9.764 1.00 0.00 H new ATOM 876 N TYR A 62 1.057 0.133 8.969 1.00 0.00 N ATOM 877 CA TYR A 62 0.171 -0.816 8.305 1.00 0.00 C ATOM 878 C TYR A 62 0.766 -1.280 6.979 1.00 0.00 C ATOM 879 O TYR A 62 0.621 -0.615 5.954 1.00 0.00 O ATOM 880 CB TYR A 62 -1.202 -0.184 8.067 1.00 0.00 C ATOM 881 CG TYR A 62 -2.077 -0.156 9.300 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.377 -1.324 9.990 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.602 1.039 9.776 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.177 -1.303 11.116 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.401 1.070 10.902 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.686 -0.104 11.568 1.00 0.00 C ATOM 887 OH TYR A 62 -4.482 -0.078 12.691 1.00 0.00 O ATOM 0 H TYR A 62 1.020 1.080 8.591 1.00 0.00 H new ATOM 0 HA TYR A 62 0.057 -1.683 8.955 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.066 0.835 7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.715 -0.736 7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.978 -2.265 9.640 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.381 1.960 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.402 -2.220 11.639 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.800 2.008 11.259 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.757 0.844 12.876 1.00 0.00 H new ATOM 897 N ARG A 63 1.437 -2.427 7.008 1.00 0.00 N ATOM 898 CA ARG A 63 2.055 -2.981 5.810 1.00 0.00 C ATOM 899 C ARG A 63 1.003 -3.295 4.751 1.00 0.00 C ATOM 900 O ARG A 63 0.414 -4.375 4.746 1.00 0.00 O ATOM 901 CB ARG A 63 2.840 -4.248 6.155 1.00 0.00 C ATOM 902 CG ARG A 63 3.845 -4.652 5.088 1.00 0.00 C ATOM 903 CD ARG A 63 4.222 -6.120 5.204 1.00 0.00 C ATOM 904 NE ARG A 63 5.540 -6.393 4.639 1.00 0.00 N ATOM 905 CZ ARG A 63 6.674 -5.943 5.166 1.00 0.00 C ATOM 906 NH1 ARG A 63 6.649 -5.202 6.265 1.00 0.00 N ATOM 907 NH2 ARG A 63 7.835 -6.234 4.593 1.00 0.00 N ATOM 0 H ARG A 63 1.566 -2.990 7.848 1.00 0.00 H new ATOM 0 HA ARG A 63 2.740 -2.235 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.366 -4.094 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.139 -5.068 6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.425 -4.460 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.740 -4.037 5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.209 -6.416 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.475 -6.727 4.692 1.00 0.00 H new ATOM 0 HE ARG A 63 5.594 -6.960 3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.758 -4.976 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.521 -4.858 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.858 -6.804 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.705 -5.888 4.998 1.00 0.00 H new ATOM 921 N GLY A 64 0.771 -2.341 3.853 1.00 0.00 N ATOM 922 CA GLY A 64 -0.210 -2.534 2.802 1.00 0.00 C ATOM 923 C GLY A 64 0.351 -2.243 1.424 1.00 0.00 C ATOM 924 O GLY A 64 1.457 -1.721 1.296 1.00 0.00 O ATOM 0 H GLY A 64 1.246 -1.438 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.574 -3.561 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.067 -1.886 2.986 1.00 0.00 H new ATOM 928 N GLU A 65 -0.414 -2.584 0.392 1.00 0.00 N ATOM 929 CA GLU A 65 0.016 -2.357 -0.983 1.00 0.00 C ATOM 930 C GLU A 65 -0.749 -1.194 -1.608 1.00 0.00 C ATOM 931 O GLU A 65 -1.864 -0.875 -1.194 1.00 0.00 O ATOM 932 CB GLU A 65 -0.187 -3.623 -1.819 1.00 0.00 C ATOM 933 CG GLU A 65 0.244 -3.471 -3.268 1.00 0.00 C ATOM 934 CD GLU A 65 0.454 -4.805 -3.958 1.00 0.00 C ATOM 935 OE1 GLU A 65 -0.465 -5.650 -3.905 1.00 0.00 O ATOM 936 OE2 GLU A 65 1.535 -5.005 -4.549 1.00 0.00 O ATOM 0 H GLU A 65 -1.333 -3.018 0.481 1.00 0.00 H new ATOM 0 HA GLU A 65 1.076 -2.105 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.373 -4.441 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.240 -3.903 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.511 -2.901 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.169 -2.895 -3.309 1.00 0.00 H new ATOM 943 N THR A 66 -0.141 -0.562 -2.608 1.00 0.00 N ATOM 944 CA THR A 66 -0.763 0.566 -3.289 1.00 0.00 C ATOM 945 C THR A 66 0.070 1.013 -4.485 1.00 0.00 C ATOM 946 O THR A 66 1.299 1.061 -4.415 1.00 0.00 O ATOM 947 CB THR A 66 -0.953 1.762 -2.336 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.971 2.633 -2.841 1.00 0.00 O ATOM 949 CG2 THR A 66 0.347 2.534 -2.170 1.00 0.00 C ATOM 0 H THR A 66 0.782 -0.813 -2.964 1.00 0.00 H new ATOM 0 HA THR A 66 -1.739 0.227 -3.635 1.00 0.00 H new ATOM 0 HB THR A 66 -1.255 1.378 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.852 2.233 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.188 3.373 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.111 1.875 -1.758 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.675 2.907 -3.140 1.00 0.00 H new ATOM 957 N CYS A 67 -0.606 1.338 -5.582 1.00 0.00 N ATOM 958 CA CYS A 67 0.073 1.781 -6.795 1.00 0.00 C ATOM 959 C CYS A 67 1.160 0.791 -7.202 1.00 0.00 C ATOM 960 O CYS A 67 2.271 1.185 -7.555 1.00 0.00 O ATOM 961 CB CYS A 67 0.682 3.168 -6.586 1.00 0.00 C ATOM 962 SG CYS A 67 0.822 4.148 -8.099 1.00 0.00 S ATOM 0 H CYS A 67 -1.623 1.303 -5.656 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.664 1.833 -7.596 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.074 3.716 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.673 3.056 -6.146 1.00 0.00 H new ATOM 0 HG CYS A 67 1.346 5.305 -7.820 1.00 0.00 H new ATOM 968 N ALA A 68 0.831 -0.495 -7.148 1.00 0.00 N ATOM 969 CA ALA A 68 1.779 -1.542 -7.511 1.00 0.00 C ATOM 970 C ALA A 68 3.043 -1.457 -6.662 1.00 0.00 C ATOM 971 O ALA A 68 4.120 -1.866 -7.094 1.00 0.00 O ATOM 972 CB ALA A 68 2.127 -1.448 -8.990 1.00 0.00 C ATOM 0 H ALA A 68 -0.085 -0.837 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 68 1.309 -2.506 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.835 -2.235 -9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.221 -1.566 -9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.574 -0.476 -9.198 1.00 0.00 H new ATOM 978 N ARG A 69 2.903 -0.923 -5.453 1.00 0.00 N ATOM 979 CA ARG A 69 4.034 -0.783 -4.544 1.00 0.00 C ATOM 980 C ARG A 69 3.712 -1.384 -3.179 1.00 0.00 C ATOM 981 O ARG A 69 2.577 -1.308 -2.707 1.00 0.00 O ATOM 982 CB ARG A 69 4.411 0.691 -4.388 1.00 0.00 C ATOM 983 CG ARG A 69 5.384 1.187 -5.445 1.00 0.00 C ATOM 984 CD ARG A 69 5.183 2.665 -5.739 1.00 0.00 C ATOM 985 NE ARG A 69 5.689 3.034 -7.058 1.00 0.00 N ATOM 986 CZ ARG A 69 5.273 4.101 -7.732 1.00 0.00 C ATOM 987 NH1 ARG A 69 4.350 4.899 -7.214 1.00 0.00 N ATOM 988 NH2 ARG A 69 5.781 4.371 -8.928 1.00 0.00 N ATOM 0 H ARG A 69 2.017 -0.580 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 69 4.879 -1.324 -4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.505 1.295 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.851 0.842 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.407 1.018 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.252 0.612 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.122 2.906 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.689 3.258 -4.977 1.00 0.00 H new ATOM 0 HE ARG A 69 6.400 2.441 -7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.957 4.695 -6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.033 5.717 -7.734 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.491 3.759 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.461 5.190 -9.445 1.00 0.00 H new ATOM 1002 N LEU A 70 4.718 -1.982 -2.550 1.00 0.00 N ATOM 1003 CA LEU A 70 4.543 -2.598 -1.239 1.00 0.00 C ATOM 1004 C LEU A 70 5.480 -1.969 -0.213 1.00 0.00 C ATOM 1005 O LEU A 70 6.682 -1.849 -0.446 1.00 0.00 O ATOM 1006 CB LEU A 70 4.797 -4.104 -1.323 1.00 0.00 C ATOM 1007 CG LEU A 70 3.962 -4.978 -0.386 1.00 0.00 C ATOM 1008 CD1 LEU A 70 3.578 -4.205 0.865 1.00 0.00 C ATOM 1009 CD2 LEU A 70 2.720 -5.490 -1.101 1.00 0.00 C ATOM 0 H LEU A 70 5.663 -2.053 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 70 3.515 -2.427 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.614 -4.427 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.851 -4.287 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 70 4.565 -5.835 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.984 -4.843 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.480 -3.888 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.994 -3.328 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.138 -6.110 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.115 -4.645 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.017 -6.082 -1.967 1.00 0.00 H new ATOM 1021 N GLY A 71 4.921 -1.570 0.926 1.00 0.00 N ATOM 1022 CA GLY A 71 5.721 -0.960 1.971 1.00 0.00 C ATOM 1023 C GLY A 71 4.935 -0.740 3.249 1.00 0.00 C ATOM 1024 O GLY A 71 3.928 -1.407 3.490 1.00 0.00 O ATOM 0 H GLY A 71 3.928 -1.659 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.582 -1.594 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.108 -0.004 1.617 1.00 0.00 H new ATOM 1028 N LEU A 72 5.395 0.197 4.071 1.00 0.00 N ATOM 1029 CA LEU A 72 4.729 0.503 5.332 1.00 0.00 C ATOM 1030 C LEU A 72 3.961 1.817 5.237 1.00 0.00 C ATOM 1031 O LEU A 72 4.422 2.774 4.614 1.00 0.00 O ATOM 1032 CB LEU A 72 5.753 0.578 6.466 1.00 0.00 C ATOM 1033 CG LEU A 72 6.625 -0.662 6.667 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.577 -0.461 7.836 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.759 -1.893 6.887 1.00 0.00 C ATOM 0 H LEU A 72 6.227 0.758 3.887 1.00 0.00 H new ATOM 0 HA LEU A 72 4.019 -0.297 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.406 1.431 6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.221 0.778 7.396 1.00 0.00 H new ATOM 0 HG LEU A 72 7.217 -0.816 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.189 -1.354 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.221 0.396 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.004 -0.281 8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.396 -2.766 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.140 -1.749 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.119 -2.048 6.018 1.00 0.00 H new ATOM 1047 N ILE A 73 2.788 1.856 5.861 1.00 0.00 N ATOM 1048 CA ILE A 73 1.957 3.054 5.850 1.00 0.00 C ATOM 1049 C ILE A 73 1.733 3.581 7.263 1.00 0.00 C ATOM 1050 O ILE A 73 1.357 2.843 8.175 1.00 0.00 O ATOM 1051 CB ILE A 73 0.591 2.786 5.191 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.777 2.387 3.726 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.301 4.013 5.303 1.00 0.00 C ATOM 1054 CD1 ILE A 73 0.967 0.900 3.523 1.00 0.00 C ATOM 0 H ILE A 73 2.392 1.072 6.380 1.00 0.00 H new ATOM 0 HA ILE A 73 2.492 3.803 5.266 1.00 0.00 H new ATOM 0 HB ILE A 73 0.107 1.961 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.092 2.715 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.641 2.914 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.263 3.808 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.456 4.256 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.175 4.856 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.093 0.691 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.853 0.569 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.093 0.367 3.897 1.00 0.00 H new ATOM 1066 N PRO A 74 1.966 4.888 7.451 1.00 0.00 N ATOM 1067 CA PRO A 74 1.794 5.544 8.751 1.00 0.00 C ATOM 1068 C PRO A 74 0.328 5.647 9.158 1.00 0.00 C ATOM 1069 O PRO A 74 -0.462 6.326 8.501 1.00 0.00 O ATOM 1070 CB PRO A 74 2.386 6.937 8.526 1.00 0.00 C ATOM 1071 CG PRO A 74 2.256 7.173 7.061 1.00 0.00 C ATOM 1072 CD PRO A 74 2.416 5.827 6.410 1.00 0.00 C ATOM 0 HA PRO A 74 2.274 4.987 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.848 7.693 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.428 6.980 8.843 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.287 7.610 6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.016 7.870 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.813 5.744 5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.450 5.641 6.121 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.028 4.971 10.245 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.400 4.986 10.739 1.00 0.00 C ATOM 1082 C CYS A 75 -1.816 6.397 11.143 1.00 0.00 C ATOM 1083 O CYS A 75 -2.984 6.650 11.437 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.546 4.038 11.930 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.138 4.158 12.779 1.00 0.00 S ATOM 0 H CYS A 75 0.614 4.406 10.801 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.054 4.650 9.934 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.407 3.014 11.584 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.749 4.244 12.644 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.675 5.316 12.532 1.00 0.00 H new ATOM 1091 N ASN A 76 -0.852 7.312 11.158 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.118 8.697 11.528 1.00 0.00 C ATOM 1093 C ASN A 76 -1.619 9.494 10.328 1.00 0.00 C ATOM 1094 O ASN A 76 -2.409 10.427 10.476 1.00 0.00 O ATOM 1095 CB ASN A 76 0.146 9.347 12.095 1.00 0.00 C ATOM 1096 CG ASN A 76 0.824 8.479 13.137 1.00 0.00 C ATOM 1097 OD1 ASN A 76 0.575 8.618 14.335 1.00 0.00 O ATOM 1098 ND2 ASN A 76 1.688 7.578 12.685 1.00 0.00 N ATOM 0 H ASN A 76 0.120 7.119 10.918 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.894 8.700 12.293 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.844 9.547 11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.111 10.309 12.539 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.176 6.966 13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.864 7.497 11.683 1.00 0.00 H new ATOM 1105 N MET A 77 -1.155 9.120 9.140 1.00 0.00 N ATOM 1106 CA MET A 77 -1.557 9.800 7.914 1.00 0.00 C ATOM 1107 C MET A 77 -2.878 9.242 7.392 1.00 0.00 C ATOM 1108 O MET A 77 -3.909 9.913 7.442 1.00 0.00 O ATOM 1109 CB MET A 77 -0.472 9.655 6.846 1.00 0.00 C ATOM 1110 CG MET A 77 0.903 10.107 7.312 1.00 0.00 C ATOM 1111 SD MET A 77 1.983 10.567 5.944 1.00 0.00 S ATOM 1112 CE MET A 77 1.060 11.922 5.224 1.00 0.00 C ATOM 0 H MET A 77 -0.501 8.350 9.000 1.00 0.00 H new ATOM 0 HA MET A 77 -1.693 10.857 8.142 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.417 8.612 6.535 1.00 0.00 H new ATOM 0 HB3 MET A 77 -0.758 10.234 5.968 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.793 10.957 7.985 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.370 9.306 7.885 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.779 11.668 4.202 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.161 12.104 5.813 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.677 12.820 5.218 1.00 0.00 H new ATOM 1122 N VAL A 78 -2.839 8.011 6.892 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.033 7.364 6.361 1.00 0.00 C ATOM 1124 C VAL A 78 -5.102 7.217 7.438 1.00 0.00 C ATOM 1125 O VAL A 78 -4.911 7.636 8.579 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.707 5.974 5.783 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -2.750 6.095 4.607 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.128 5.071 6.862 1.00 0.00 C ATOM 0 H VAL A 78 -1.994 7.442 6.844 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.411 8.002 5.562 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.632 5.524 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.531 5.103 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.207 6.703 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.824 6.566 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.904 4.093 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.213 5.514 7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.852 4.958 7.669 1.00 0.00 H new ATOM 1138 N SER A 79 -6.229 6.618 7.066 1.00 0.00 N ATOM 1139 CA SER A 79 -7.332 6.418 7.999 1.00 0.00 C ATOM 1140 C SER A 79 -8.094 5.137 7.673 1.00 0.00 C ATOM 1141 O SER A 79 -7.838 4.492 6.657 1.00 0.00 O ATOM 1142 CB SER A 79 -8.284 7.615 7.961 1.00 0.00 C ATOM 1143 OG SER A 79 -8.985 7.748 9.186 1.00 0.00 O ATOM 0 H SER A 79 -6.402 6.263 6.126 1.00 0.00 H new ATOM 0 HA SER A 79 -6.915 6.327 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.720 8.526 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.994 7.493 7.143 1.00 0.00 H new ATOM 0 HG SER A 79 -9.585 8.521 9.137 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.033 4.776 8.543 1.00 0.00 N ATOM 1150 CA GLU A 80 -9.832 3.572 8.347 1.00 0.00 C ATOM 1151 C GLU A 80 -11.167 3.907 7.687 1.00 0.00 C ATOM 1152 O GLU A 80 -11.814 4.895 8.036 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.074 2.871 9.686 1.00 0.00 C ATOM 1154 CG GLU A 80 -10.850 1.571 9.560 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.341 1.053 10.898 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -12.254 1.677 11.477 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -10.811 0.023 11.365 1.00 0.00 O ATOM 0 H GLU A 80 -9.258 5.299 9.389 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.279 2.902 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.113 2.667 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.617 3.546 10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.703 1.724 8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.216 0.817 9.093 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.571 3.077 6.731 1.00 0.00 N ATOM 1165 CA ILE A 81 -12.828 3.284 6.023 1.00 0.00 C ATOM 1166 C ILE A 81 -13.945 2.439 6.626 1.00 0.00 C ATOM 1167 O ILE A 81 -13.731 1.285 6.998 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.693 2.944 4.527 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.473 3.647 3.929 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -13.958 3.338 3.778 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.386 3.533 2.424 1.00 0.00 C ATOM 0 H ILE A 81 -11.047 2.256 6.429 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.079 4.340 6.127 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.554 1.868 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.501 4.701 4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.569 3.226 4.370 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -13.847 3.092 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.809 2.795 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.125 4.410 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.497 4.055 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.326 2.482 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.272 3.980 1.973 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.136 3.021 6.718 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.287 2.320 7.275 1.00 0.00 C ATOM 1185 C GLN A 82 -16.478 0.965 6.602 1.00 0.00 C ATOM 1186 O GLN A 82 -15.847 0.671 5.587 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.552 3.166 7.115 1.00 0.00 C ATOM 1188 CG GLN A 82 -17.482 4.507 7.827 1.00 0.00 C ATOM 1189 CD GLN A 82 -18.849 5.036 8.212 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -19.610 5.499 7.362 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -19.169 4.970 9.499 1.00 0.00 N ATOM 0 H GLN A 82 -15.329 3.975 6.414 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.101 2.154 8.336 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -17.733 3.337 6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -18.405 2.605 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.870 4.406 8.723 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -16.985 5.231 7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.508 4.578 10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -20.076 5.311 9.817 1.00 0.00 H new ATOM 1200 N ALA A 83 -17.353 0.144 7.173 1.00 0.00 N ATOM 1201 CA ALA A 83 -17.629 -1.179 6.626 1.00 0.00 C ATOM 1202 C ALA A 83 -19.128 -1.409 6.475 1.00 0.00 C ATOM 1203 O ALA A 83 -19.937 -0.737 7.115 1.00 0.00 O ATOM 1204 CB ALA A 83 -17.014 -2.253 7.511 1.00 0.00 C ATOM 0 H ALA A 83 -17.883 0.372 8.014 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.178 -1.237 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.227 -3.236 7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.935 -2.107 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.438 -2.186 8.513 1.00 0.00 H new ATOM 1210 N ASP A 84 -19.493 -2.363 5.625 1.00 0.00 N ATOM 1211 CA ASP A 84 -20.896 -2.682 5.390 1.00 0.00 C ATOM 1212 C ASP A 84 -21.171 -4.157 5.666 1.00 0.00 C ATOM 1213 O ASP A 84 -21.966 -4.791 4.971 1.00 0.00 O ATOM 1214 CB ASP A 84 -21.286 -2.338 3.952 1.00 0.00 C ATOM 1215 CG ASP A 84 -21.623 -0.870 3.779 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -22.130 -0.260 4.744 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -21.382 -0.331 2.679 1.00 0.00 O ATOM 0 H ASP A 84 -18.836 -2.929 5.087 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.498 -2.084 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.466 -2.601 3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -22.144 -2.942 3.657 1.00 0.00 H new ATOM 1222 N ASP A 85 -20.508 -4.697 6.682 1.00 0.00 N ATOM 1223 CA ASP A 85 -20.681 -6.098 7.050 1.00 0.00 C ATOM 1224 C ASP A 85 -21.522 -6.228 8.316 1.00 0.00 C ATOM 1225 O ASP A 85 -21.376 -5.442 9.252 1.00 0.00 O ATOM 1226 CB ASP A 85 -19.320 -6.765 7.255 1.00 0.00 C ATOM 1227 CG ASP A 85 -18.397 -6.573 6.069 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -18.089 -5.409 5.738 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -17.980 -7.588 5.472 1.00 0.00 O ATOM 0 H ASP A 85 -19.846 -4.186 7.266 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.204 -6.600 6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -18.849 -6.355 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.464 -7.831 7.431 1.00 0.00 H new ATOM 1234 N GLU A 86 -22.402 -7.224 8.337 1.00 0.00 N ATOM 1235 CA GLU A 86 -23.267 -7.454 9.488 1.00 0.00 C ATOM 1236 C GLU A 86 -22.455 -7.491 10.780 1.00 0.00 C ATOM 1237 O GLU A 86 -21.316 -7.955 10.795 1.00 0.00 O ATOM 1238 CB GLU A 86 -24.039 -8.765 9.320 1.00 0.00 C ATOM 1239 CG GLU A 86 -25.365 -8.602 8.597 1.00 0.00 C ATOM 1240 CD GLU A 86 -26.368 -7.789 9.394 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -26.382 -6.550 9.240 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -27.136 -8.392 10.172 1.00 0.00 O ATOM 0 H GLU A 86 -22.535 -7.884 7.571 1.00 0.00 H new ATOM 0 HA GLU A 86 -23.976 -6.628 9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -23.420 -9.474 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -24.222 -9.198 10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -25.193 -8.119 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -25.784 -9.586 8.389 1.00 0.00 H new ATOM 1249 N GLU A 87 -23.052 -6.999 11.861 1.00 0.00 N ATOM 1250 CA GLU A 87 -22.384 -6.974 13.157 1.00 0.00 C ATOM 1251 C GLU A 87 -23.402 -6.961 14.293 1.00 0.00 C ATOM 1252 O GLU A 87 -24.445 -6.316 14.199 1.00 0.00 O ATOM 1253 CB GLU A 87 -21.470 -5.751 13.261 1.00 0.00 C ATOM 1254 CG GLU A 87 -20.283 -5.956 14.187 1.00 0.00 C ATOM 1255 CD GLU A 87 -19.092 -5.096 13.808 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -19.301 -3.914 13.465 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -17.953 -5.605 13.854 1.00 0.00 O ATOM 0 H GLU A 87 -23.996 -6.613 11.865 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.780 -7.877 13.244 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -21.104 -5.495 12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -22.053 -4.901 13.614 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -20.581 -5.727 15.210 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -19.989 -7.006 14.168 1.00 0.00 H new ATOM 1264 N MET A 88 -23.089 -7.679 15.367 1.00 0.00 N ATOM 1265 CA MET A 88 -23.976 -7.750 16.523 1.00 0.00 C ATOM 1266 C MET A 88 -23.640 -6.658 17.534 1.00 0.00 C ATOM 1267 O MET A 88 -22.527 -6.133 17.547 1.00 0.00 O ATOM 1268 CB MET A 88 -23.875 -9.125 17.187 1.00 0.00 C ATOM 1269 CG MET A 88 -24.853 -10.144 16.625 1.00 0.00 C ATOM 1270 SD MET A 88 -24.501 -10.572 14.909 1.00 0.00 S ATOM 1271 CE MET A 88 -25.623 -11.947 14.666 1.00 0.00 C ATOM 0 H MET A 88 -22.229 -8.219 15.461 1.00 0.00 H new ATOM 0 HA MET A 88 -24.998 -7.597 16.175 1.00 0.00 H new ATOM 0 HB2 MET A 88 -22.860 -9.503 17.068 1.00 0.00 H new ATOM 0 HB3 MET A 88 -24.051 -9.016 18.257 1.00 0.00 H new ATOM 0 HG2 MET A 88 -24.821 -11.047 17.235 1.00 0.00 H new ATOM 0 HG3 MET A 88 -25.866 -9.747 16.696 1.00 0.00 H new ATOM 0 HE1 MET A 88 -25.523 -12.323 13.648 1.00 0.00 H new ATOM 0 HE2 MET A 88 -25.382 -12.742 15.372 1.00 0.00 H new ATOM 0 HE3 MET A 88 -26.648 -11.614 14.831 1.00 0.00 H new ATOM 1281 N MET A 89 -24.609 -6.321 18.378 1.00 0.00 N ATOM 1282 CA MET A 89 -24.415 -5.292 19.393 1.00 0.00 C ATOM 1283 C MET A 89 -23.570 -5.821 20.549 1.00 0.00 C ATOM 1284 O MET A 89 -24.102 -6.325 21.538 1.00 0.00 O ATOM 1285 CB MET A 89 -25.765 -4.800 19.917 1.00 0.00 C ATOM 1286 CG MET A 89 -25.725 -3.383 20.465 1.00 0.00 C ATOM 1287 SD MET A 89 -27.369 -2.707 20.765 1.00 0.00 S ATOM 1288 CE MET A 89 -27.592 -3.115 22.495 1.00 0.00 C ATOM 0 H MET A 89 -25.537 -6.745 18.379 1.00 0.00 H new ATOM 0 HA MET A 89 -23.887 -4.457 18.932 1.00 0.00 H new ATOM 0 HB2 MET A 89 -26.498 -4.849 19.111 1.00 0.00 H new ATOM 0 HB3 MET A 89 -26.109 -5.474 20.701 1.00 0.00 H new ATOM 0 HG2 MET A 89 -25.157 -3.373 21.395 1.00 0.00 H new ATOM 0 HG3 MET A 89 -25.195 -2.741 19.762 1.00 0.00 H new ATOM 0 HE1 MET A 89 -28.567 -2.761 22.830 1.00 0.00 H new ATOM 0 HE2 MET A 89 -27.535 -4.196 22.624 1.00 0.00 H new ATOM 0 HE3 MET A 89 -26.810 -2.637 23.085 1.00 0.00 H new ATOM 1298 N ASP A 90 -22.254 -5.703 20.416 1.00 0.00 N ATOM 1299 CA ASP A 90 -21.337 -6.168 21.449 1.00 0.00 C ATOM 1300 C ASP A 90 -21.792 -5.704 22.829 1.00 0.00 C ATOM 1301 O ASP A 90 -22.432 -4.661 22.963 1.00 0.00 O ATOM 1302 CB ASP A 90 -19.920 -5.664 21.169 1.00 0.00 C ATOM 1303 CG ASP A 90 -18.870 -6.417 21.961 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -18.604 -7.590 21.628 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -18.314 -5.833 22.916 1.00 0.00 O ATOM 0 H ASP A 90 -21.798 -5.289 19.603 1.00 0.00 H new ATOM 0 HA ASP A 90 -21.336 -7.258 21.434 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -19.707 -5.761 20.104 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -19.861 -4.603 21.410 1.00 0.00 H new ATOM 1310 N GLN A 91 -21.458 -6.485 23.851 1.00 0.00 N ATOM 1311 CA GLN A 91 -21.834 -6.154 25.220 1.00 0.00 C ATOM 1312 C GLN A 91 -20.712 -6.504 26.193 1.00 0.00 C ATOM 1313 O GLN A 91 -19.646 -6.965 25.786 1.00 0.00 O ATOM 1314 CB GLN A 91 -23.114 -6.893 25.613 1.00 0.00 C ATOM 1315 CG GLN A 91 -23.049 -8.393 25.374 1.00 0.00 C ATOM 1316 CD GLN A 91 -24.407 -9.059 25.466 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -25.428 -8.392 25.635 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -24.428 -10.382 25.354 1.00 0.00 N ATOM 0 H GLN A 91 -20.928 -7.351 23.757 1.00 0.00 H new ATOM 0 HA GLN A 91 -22.013 -5.080 25.271 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -23.320 -6.710 26.668 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -23.950 -6.480 25.049 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -22.622 -8.582 24.389 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -22.377 -8.844 26.104 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -23.558 -10.896 25.215 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -25.314 -10.884 25.407 1.00 0.00 H new ATOM 1327 N SER A 92 -20.961 -6.281 27.480 1.00 0.00 N ATOM 1328 CA SER A 92 -19.970 -6.569 28.510 1.00 0.00 C ATOM 1329 C SER A 92 -20.464 -7.667 29.447 1.00 0.00 C ATOM 1330 O SER A 92 -19.827 -8.710 29.591 1.00 0.00 O ATOM 1331 CB SER A 92 -19.653 -5.304 29.310 1.00 0.00 C ATOM 1332 OG SER A 92 -18.744 -4.473 28.610 1.00 0.00 O ATOM 0 H SER A 92 -21.840 -5.902 27.834 1.00 0.00 H new ATOM 0 HA SER A 92 -19.061 -6.917 28.019 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.574 -4.755 29.509 1.00 0.00 H new ATOM 0 HB3 SER A 92 -19.230 -5.578 30.277 1.00 0.00 H new ATOM 0 HG SER A 92 -18.559 -3.671 29.141 1.00 0.00 H new ATOM 1338 N GLY A 93 -21.606 -7.424 30.084 1.00 0.00 N ATOM 1339 CA GLY A 93 -22.168 -8.399 30.999 1.00 0.00 C ATOM 1340 C GLY A 93 -22.776 -7.757 32.230 1.00 0.00 C ATOM 1341 O GLY A 93 -22.148 -7.669 33.285 1.00 0.00 O ATOM 0 H GLY A 93 -22.152 -6.568 29.982 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.931 -8.980 30.482 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -21.389 -9.097 31.305 1.00 0.00 H new ATOM 1345 N PRO A 94 -24.028 -7.292 32.102 1.00 0.00 N ATOM 1346 CA PRO A 94 -24.748 -6.645 33.203 1.00 0.00 C ATOM 1347 C PRO A 94 -25.121 -7.627 34.308 1.00 0.00 C ATOM 1348 O PRO A 94 -25.086 -8.841 34.111 1.00 0.00 O ATOM 1349 CB PRO A 94 -26.008 -6.096 32.528 1.00 0.00 C ATOM 1350 CG PRO A 94 -26.211 -6.970 31.339 1.00 0.00 C ATOM 1351 CD PRO A 94 -24.837 -7.364 30.874 1.00 0.00 C ATOM 0 HA PRO A 94 -24.143 -5.882 33.693 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -26.866 -6.135 33.199 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -25.879 -5.054 32.236 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -26.802 -7.849 31.597 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -26.752 -6.441 30.554 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -24.830 -8.366 30.446 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -24.463 -6.687 30.106 1.00 0.00 H new ATOM 1359 N SER A 95 -25.477 -7.093 35.472 1.00 0.00 N ATOM 1360 CA SER A 95 -25.853 -7.922 36.611 1.00 0.00 C ATOM 1361 C SER A 95 -24.695 -8.821 37.034 1.00 0.00 C ATOM 1362 O SER A 95 -24.895 -9.978 37.402 1.00 0.00 O ATOM 1363 CB SER A 95 -27.075 -8.775 36.266 1.00 0.00 C ATOM 1364 OG SER A 95 -28.247 -7.982 36.192 1.00 0.00 O ATOM 0 H SER A 95 -25.513 -6.089 35.651 1.00 0.00 H new ATOM 0 HA SER A 95 -26.101 -7.263 37.443 1.00 0.00 H new ATOM 0 HB2 SER A 95 -26.913 -9.279 35.313 1.00 0.00 H new ATOM 0 HB3 SER A 95 -27.205 -9.552 37.020 1.00 0.00 H new ATOM 0 HG SER A 95 -29.013 -8.551 35.968 1.00 0.00 H new ATOM 1370 N SER A 96 -23.483 -8.278 36.980 1.00 0.00 N ATOM 1371 CA SER A 96 -22.291 -9.030 37.354 1.00 0.00 C ATOM 1372 C SER A 96 -22.454 -9.655 38.736 1.00 0.00 C ATOM 1373 O SER A 96 -22.819 -8.978 39.697 1.00 0.00 O ATOM 1374 CB SER A 96 -21.061 -8.120 37.335 1.00 0.00 C ATOM 1375 OG SER A 96 -21.167 -7.099 38.312 1.00 0.00 O ATOM 0 H SER A 96 -23.301 -7.320 36.681 1.00 0.00 H new ATOM 0 HA SER A 96 -22.153 -9.830 36.627 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.164 -8.712 37.519 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.951 -7.672 36.347 1.00 0.00 H new ATOM 0 HG SER A 96 -21.749 -7.402 39.040 1.00 0.00 H new ATOM 1381 N GLY A 97 -22.181 -10.953 38.828 1.00 0.00 N ATOM 1382 CA GLY A 97 -22.304 -11.649 40.096 1.00 0.00 C ATOM 1383 C GLY A 97 -23.502 -12.576 40.135 1.00 0.00 C ATOM 1384 O GLY A 97 -23.350 -13.796 40.191 1.00 0.00 O ATOM 0 H GLY A 97 -21.877 -11.535 38.047 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -21.397 -12.225 40.280 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.387 -10.919 40.901 1.00 0.00 H new TER 1388 GLY A 97