USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 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 85 ASN : amide:sc= 0.355 K(o=-0.08,f=-2.5!) USER MOD Set 1.2: A 108 CYS SG : rot 180:sc= -0.435 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0.0597 USER MOD Set 2.2: A 93 ASN : amide:sc= -0.601 K(o=-0.54,f=2.9) USER MOD Set 3.1: A 56 CYS SG : rot 69:sc= 0.536 USER MOD Set 3.2: A 80 SER OG : rot 114:sc= 1.13 USER MOD Set 4.1: A 28 HIS : no HD1:sc= -1.1 K(o=-1.9,f=-2.8!) USER MOD Set 4.2: A 30 TYR OH : rot 180:sc= -0.798 USER MOD Set 5.1: A 11 HIS : no HE2:sc= -3.03! C(o=-4.9!,f=-6.5!) USER MOD Set 5.2: A 37 LYS NZ :NH3+ -172:sc= -1.87! (180deg=-1.98!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.466 USER MOD Single : A 3 SER OG : rot 59:sc= 0.221 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 26 SER OG : rot 76:sc= 1.23 USER MOD Single : A 29 CYS SG : rot 39:sc= -0.0144 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.21 K(o=-3.2,f=-6.8!) USER MOD Single : A 46 MET CE :methyl -131:sc= -1.92 (180deg=-6.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -159:sc= 0.0867 USER MOD Single : A 60 SER OG : rot 29:sc= 0.262 USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0.119 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 75 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.47) USER MOD Single : A 77 SER OG : rot 35:sc= 0.213 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 97 SER OG : rot -111:sc= -1.08 USER MOD Single : A 102 LYS NZ :NH3+ -144:sc= -0.509 (180deg=-2.27!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.608 -8.928 -4.221 1.00 0.00 N ATOM 2 CA GLY A 1 21.234 -8.470 -4.143 1.00 0.00 C ATOM 3 C GLY A 1 20.958 -7.675 -2.882 1.00 0.00 C ATOM 4 O GLY A 1 21.571 -6.632 -2.651 1.00 0.00 O ATOM 0 H1 GLY A 1 22.745 -9.466 -5.100 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.248 -8.108 -4.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.817 -9.539 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.010 -7.854 -5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.565 -9.330 -4.180 1.00 0.00 H new ATOM 8 N SER A 2 20.033 -8.166 -2.064 1.00 0.00 N ATOM 9 CA SER A 2 19.673 -7.492 -0.823 1.00 0.00 C ATOM 10 C SER A 2 19.497 -5.993 -1.050 1.00 0.00 C ATOM 11 O SER A 2 19.978 -5.175 -0.267 1.00 0.00 O ATOM 12 CB SER A 2 20.744 -7.735 0.243 1.00 0.00 C ATOM 13 OG SER A 2 21.988 -7.180 -0.148 1.00 0.00 O ATOM 0 H SER A 2 19.519 -9.029 -2.239 1.00 0.00 H new ATOM 0 HA SER A 2 18.725 -7.903 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.427 -7.295 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.857 -8.806 0.412 1.00 0.00 H new ATOM 0 HG SER A 2 21.854 -6.586 -0.916 1.00 0.00 H new ATOM 19 N SER A 3 18.803 -5.642 -2.128 1.00 0.00 N ATOM 20 CA SER A 3 18.565 -4.243 -2.462 1.00 0.00 C ATOM 21 C SER A 3 17.070 -3.946 -2.525 1.00 0.00 C ATOM 22 O SER A 3 16.320 -4.625 -3.226 1.00 0.00 O ATOM 23 CB SER A 3 19.222 -3.897 -3.799 1.00 0.00 C ATOM 24 OG SER A 3 20.632 -3.833 -3.673 1.00 0.00 O ATOM 0 H SER A 3 18.396 -6.308 -2.785 1.00 0.00 H new ATOM 0 HA SER A 3 19.007 -3.628 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.954 -4.646 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.842 -2.940 -4.158 1.00 0.00 H new ATOM 0 HG SER A 3 20.971 -4.694 -3.351 1.00 0.00 H new ATOM 30 N GLY A 4 16.644 -2.925 -1.787 1.00 0.00 N ATOM 31 CA GLY A 4 15.241 -2.555 -1.773 1.00 0.00 C ATOM 32 C GLY A 4 14.742 -2.228 -0.379 1.00 0.00 C ATOM 33 O GLY A 4 15.438 -2.464 0.608 1.00 0.00 O ATOM 0 H GLY A 4 17.245 -2.348 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.089 -1.692 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.649 -3.372 -2.185 1.00 0.00 H new ATOM 37 N SER A 5 13.533 -1.680 -0.299 1.00 0.00 N ATOM 38 CA SER A 5 12.944 -1.314 0.984 1.00 0.00 C ATOM 39 C SER A 5 13.344 -2.309 2.069 1.00 0.00 C ATOM 40 O SER A 5 13.607 -3.478 1.788 1.00 0.00 O ATOM 41 CB SER A 5 11.420 -1.252 0.870 1.00 0.00 C ATOM 42 OG SER A 5 10.847 -0.648 2.017 1.00 0.00 O ATOM 0 H SER A 5 12.943 -1.480 -1.107 1.00 0.00 H new ATOM 0 HA SER A 5 13.321 -0.330 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.141 -0.687 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.020 -2.259 0.747 1.00 0.00 H new ATOM 0 HG SER A 5 9.872 -0.619 1.919 1.00 0.00 H new ATOM 48 N SER A 6 13.387 -1.835 3.310 1.00 0.00 N ATOM 49 CA SER A 6 13.758 -2.681 4.439 1.00 0.00 C ATOM 50 C SER A 6 12.819 -2.455 5.619 1.00 0.00 C ATOM 51 O SER A 6 12.083 -1.471 5.662 1.00 0.00 O ATOM 52 CB SER A 6 15.202 -2.400 4.861 1.00 0.00 C ATOM 53 OG SER A 6 16.121 -3.007 3.969 1.00 0.00 O ATOM 0 H SER A 6 13.170 -0.870 3.559 1.00 0.00 H new ATOM 0 HA SER A 6 13.674 -3.721 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.373 -1.324 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.369 -2.775 5.871 1.00 0.00 H new ATOM 0 HG SER A 6 17.036 -2.811 4.259 1.00 0.00 H new ATOM 59 N GLY A 7 12.850 -3.377 6.577 1.00 0.00 N ATOM 60 CA GLY A 7 11.997 -3.262 7.746 1.00 0.00 C ATOM 61 C GLY A 7 10.905 -4.313 7.772 1.00 0.00 C ATOM 62 O GLY A 7 11.121 -5.454 8.181 1.00 0.00 O ATOM 0 H GLY A 7 13.451 -4.201 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.605 -3.352 8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.544 -2.271 7.765 1.00 0.00 H new ATOM 66 N PRO A 8 9.698 -3.929 7.330 1.00 0.00 N ATOM 67 CA PRO A 8 8.543 -4.832 7.296 1.00 0.00 C ATOM 68 C PRO A 8 8.692 -5.923 6.241 1.00 0.00 C ATOM 69 O PRO A 8 9.264 -5.697 5.175 1.00 0.00 O ATOM 70 CB PRO A 8 7.378 -3.904 6.945 1.00 0.00 C ATOM 71 CG PRO A 8 8.005 -2.765 6.218 1.00 0.00 C ATOM 72 CD PRO A 8 9.368 -2.584 6.829 1.00 0.00 C ATOM 0 HA PRO A 8 8.413 -5.364 8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.641 -4.412 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.859 -3.564 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.080 -2.977 5.151 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.407 -1.859 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.095 -2.239 6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.354 -1.848 7.633 1.00 0.00 H new ATOM 80 N LYS A 9 8.172 -7.107 6.544 1.00 0.00 N ATOM 81 CA LYS A 9 8.244 -8.234 5.622 1.00 0.00 C ATOM 82 C LYS A 9 7.316 -8.022 4.430 1.00 0.00 C ATOM 83 O LYS A 9 7.770 -7.884 3.294 1.00 0.00 O ATOM 84 CB LYS A 9 7.879 -9.534 6.342 1.00 0.00 C ATOM 85 CG LYS A 9 8.810 -9.874 7.493 1.00 0.00 C ATOM 86 CD LYS A 9 8.954 -11.377 7.668 1.00 0.00 C ATOM 87 CE LYS A 9 9.188 -11.748 9.124 1.00 0.00 C ATOM 88 NZ LYS A 9 9.325 -13.220 9.306 1.00 0.00 N ATOM 0 H LYS A 9 7.695 -7.311 7.422 1.00 0.00 H new ATOM 0 HA LYS A 9 9.268 -8.305 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.860 -9.456 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.890 -10.353 5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.790 -9.432 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.427 -9.434 8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.055 -11.875 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.785 -11.737 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.089 -11.252 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.359 -11.383 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.483 -13.432 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.455 -13.692 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.132 -13.565 8.748 1.00 0.00 H new ATOM 102 N ILE A 10 6.014 -7.997 4.697 1.00 0.00 N ATOM 103 CA ILE A 10 5.023 -7.799 3.647 1.00 0.00 C ATOM 104 C ILE A 10 5.324 -6.543 2.836 1.00 0.00 C ATOM 105 O ILE A 10 6.071 -5.670 3.279 1.00 0.00 O ATOM 106 CB ILE A 10 3.601 -7.693 4.228 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.632 -6.986 5.585 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.978 -9.075 4.359 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.751 -7.934 6.757 1.00 0.00 C ATOM 0 H ILE A 10 5.621 -8.111 5.631 1.00 0.00 H new ATOM 0 HA ILE A 10 5.076 -8.671 2.995 1.00 0.00 H new ATOM 0 HB ILE A 10 2.989 -7.103 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.471 -6.290 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.724 -6.394 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.973 -8.984 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.926 -9.545 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.588 -9.688 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.767 -7.364 7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.899 -8.614 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.673 -8.509 6.668 1.00 0.00 H new ATOM 121 N HIS A 11 4.736 -6.458 1.647 1.00 0.00 N ATOM 122 CA HIS A 11 4.940 -5.307 0.775 1.00 0.00 C ATOM 123 C HIS A 11 3.783 -5.160 -0.209 1.00 0.00 C ATOM 124 O HIS A 11 3.332 -6.138 -0.804 1.00 0.00 O ATOM 125 CB HIS A 11 6.258 -5.444 0.013 1.00 0.00 C ATOM 126 CG HIS A 11 6.140 -6.243 -1.249 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.722 -5.701 -2.446 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.389 -7.550 -1.497 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.718 -6.640 -3.375 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.119 -7.772 -2.825 1.00 0.00 N ATOM 0 H HIS A 11 4.115 -7.172 1.266 1.00 0.00 H new ATOM 0 HA HIS A 11 4.981 -4.413 1.398 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.633 -4.450 -0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.997 -5.913 0.663 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.457 -4.727 -2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.736 -8.282 -0.783 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.435 -6.505 -4.408 1.00 0.00 H new ATOM 138 N PHE A 12 3.305 -3.930 -0.374 1.00 0.00 N ATOM 139 CA PHE A 12 2.199 -3.655 -1.283 1.00 0.00 C ATOM 140 C PHE A 12 2.667 -3.697 -2.735 1.00 0.00 C ATOM 141 O PHE A 12 3.782 -3.285 -3.051 1.00 0.00 O ATOM 142 CB PHE A 12 1.583 -2.290 -0.973 1.00 0.00 C ATOM 143 CG PHE A 12 0.493 -2.345 0.059 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.702 -2.991 -0.210 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.664 -1.750 1.299 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.707 -3.044 0.738 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.336 -1.799 2.251 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.524 -2.446 1.969 1.00 0.00 C ATOM 0 H PHE A 12 3.667 -3.108 0.110 1.00 0.00 H new ATOM 0 HA PHE A 12 1.443 -4.427 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.367 -1.617 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.181 -1.864 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.851 -3.459 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.590 -1.242 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.634 -3.552 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.189 -1.332 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.308 -2.484 2.710 1.00 0.00 H new ATOM 158 N ASN A 13 1.804 -4.197 -3.614 1.00 0.00 N ATOM 159 CA ASN A 13 2.128 -4.294 -5.033 1.00 0.00 C ATOM 160 C ASN A 13 2.651 -2.962 -5.563 1.00 0.00 C ATOM 161 O ASN A 13 3.367 -2.919 -6.565 1.00 0.00 O ATOM 162 CB ASN A 13 0.896 -4.725 -5.831 1.00 0.00 C ATOM 163 CG ASN A 13 -0.309 -3.845 -5.554 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.403 -3.217 -4.499 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.236 -3.797 -6.503 1.00 0.00 N ATOM 0 H ASN A 13 0.876 -4.541 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 13 2.909 -5.045 -5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.127 -4.695 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.652 -5.759 -5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.069 -3.222 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.115 -4.335 -7.361 1.00 0.00 H new ATOM 172 N PHE A 14 2.290 -1.878 -4.885 1.00 0.00 N ATOM 173 CA PHE A 14 2.722 -0.545 -5.288 1.00 0.00 C ATOM 174 C PHE A 14 3.022 0.321 -4.068 1.00 0.00 C ATOM 175 O PHE A 14 2.478 0.098 -2.987 1.00 0.00 O ATOM 176 CB PHE A 14 1.650 0.123 -6.151 1.00 0.00 C ATOM 177 CG PHE A 14 0.270 0.041 -5.562 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.031 0.690 -4.376 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.726 -0.684 -6.196 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.299 0.615 -3.832 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.996 -0.762 -5.657 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.284 -0.111 -4.474 1.00 0.00 C ATOM 0 H PHE A 14 1.699 -1.896 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 14 3.636 -0.648 -5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.913 1.171 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.645 -0.344 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.734 1.261 -3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.507 -1.194 -7.122 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.520 1.124 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.763 -1.332 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.276 -0.169 -4.052 1.00 0.00 H new ATOM 192 N GLU A 15 3.891 1.310 -4.251 1.00 0.00 N ATOM 193 CA GLU A 15 4.265 2.209 -3.165 1.00 0.00 C ATOM 194 C GLU A 15 3.140 3.195 -2.864 1.00 0.00 C ATOM 195 O GLU A 15 2.707 3.331 -1.718 1.00 0.00 O ATOM 196 CB GLU A 15 5.544 2.970 -3.519 1.00 0.00 C ATOM 197 CG GLU A 15 5.888 4.074 -2.534 1.00 0.00 C ATOM 198 CD GLU A 15 6.092 3.554 -1.124 1.00 0.00 C ATOM 199 OE1 GLU A 15 6.836 2.565 -0.957 1.00 0.00 O ATOM 200 OE2 GLU A 15 5.508 4.138 -0.187 1.00 0.00 O ATOM 0 H GLU A 15 4.349 1.509 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 15 4.445 1.606 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.374 2.266 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.436 3.403 -4.514 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.794 4.582 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.089 4.816 -2.532 1.00 0.00 H new ATOM 207 N LEU A 16 2.670 3.881 -3.900 1.00 0.00 N ATOM 208 CA LEU A 16 1.596 4.856 -3.748 1.00 0.00 C ATOM 209 C LEU A 16 0.402 4.492 -4.625 1.00 0.00 C ATOM 210 O LEU A 16 0.563 3.932 -5.710 1.00 0.00 O ATOM 211 CB LEU A 16 2.097 6.257 -4.105 1.00 0.00 C ATOM 212 CG LEU A 16 1.048 7.369 -4.088 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.699 8.712 -3.792 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.300 7.418 -5.412 1.00 0.00 C ATOM 0 H LEU A 16 3.016 3.780 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 16 1.275 4.846 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.893 6.525 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.542 6.220 -5.099 1.00 0.00 H new ATOM 0 HG LEU A 16 0.331 7.153 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.937 9.492 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.188 8.673 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.438 8.935 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.442 8.215 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.005 7.609 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.199 6.464 -5.584 1.00 0.00 H new ATOM 226 N LEU A 17 -0.796 4.814 -4.149 1.00 0.00 N ATOM 227 CA LEU A 17 -2.018 4.523 -4.890 1.00 0.00 C ATOM 228 C LEU A 17 -2.682 5.809 -5.372 1.00 0.00 C ATOM 229 O LEU A 17 -3.249 6.561 -4.580 1.00 0.00 O ATOM 230 CB LEU A 17 -2.991 3.730 -4.017 1.00 0.00 C ATOM 231 CG LEU A 17 -4.421 3.608 -4.545 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.431 2.928 -5.905 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.291 2.844 -3.558 1.00 0.00 C ATOM 0 H LEU A 17 -0.947 5.277 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.751 3.925 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.589 2.726 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.027 4.196 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.832 4.611 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.457 2.850 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.843 3.516 -6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.001 1.931 -5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.305 2.767 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.882 1.844 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.310 3.372 -2.605 1.00 0.00 H new ATOM 245 N ASP A 18 -2.608 6.054 -6.676 1.00 0.00 N ATOM 246 CA ASP A 18 -3.205 7.247 -7.265 1.00 0.00 C ATOM 247 C ASP A 18 -4.668 7.004 -7.620 1.00 0.00 C ATOM 248 O ASP A 18 -4.980 6.498 -8.698 1.00 0.00 O ATOM 249 CB ASP A 18 -2.428 7.670 -8.512 1.00 0.00 C ATOM 250 CG ASP A 18 -0.934 7.456 -8.364 1.00 0.00 C ATOM 251 OD1 ASP A 18 -0.473 6.318 -8.589 1.00 0.00 O ATOM 252 OD2 ASP A 18 -0.226 8.426 -8.022 1.00 0.00 O ATOM 0 H ASP A 18 -2.140 5.442 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.157 8.049 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.790 7.105 -9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.623 8.722 -8.718 1.00 0.00 H new ATOM 257 N ILE A 19 -5.562 7.367 -6.706 1.00 0.00 N ATOM 258 CA ILE A 19 -6.992 7.189 -6.923 1.00 0.00 C ATOM 259 C ILE A 19 -7.539 8.245 -7.877 1.00 0.00 C ATOM 260 O ILE A 19 -8.738 8.287 -8.152 1.00 0.00 O ATOM 261 CB ILE A 19 -7.775 7.254 -5.599 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.530 8.594 -4.902 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.380 6.099 -4.692 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.393 8.805 -3.677 1.00 0.00 C ATOM 0 H ILE A 19 -5.321 7.786 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.123 6.201 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.839 7.169 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.481 8.657 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.715 9.402 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.942 6.159 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.601 5.154 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.313 6.154 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.166 9.775 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.444 8.774 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.191 8.018 -2.950 1.00 0.00 H new ATOM 276 N GLY A 20 -6.651 9.097 -8.381 1.00 0.00 N ATOM 277 CA GLY A 20 -7.064 10.141 -9.300 1.00 0.00 C ATOM 278 C GLY A 20 -8.205 10.976 -8.755 1.00 0.00 C ATOM 279 O GLY A 20 -8.403 11.055 -7.542 1.00 0.00 O ATOM 0 H GLY A 20 -5.653 9.083 -8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.214 10.789 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.367 9.690 -10.245 1.00 0.00 H new ATOM 283 N LYS A 21 -8.958 11.604 -9.652 1.00 0.00 N ATOM 284 CA LYS A 21 -10.086 12.439 -9.255 1.00 0.00 C ATOM 285 C LYS A 21 -11.332 11.592 -9.015 1.00 0.00 C ATOM 286 O LYS A 21 -11.597 10.638 -9.746 1.00 0.00 O ATOM 287 CB LYS A 21 -10.371 13.490 -10.330 1.00 0.00 C ATOM 288 CG LYS A 21 -9.259 14.512 -10.491 1.00 0.00 C ATOM 289 CD LYS A 21 -9.793 15.844 -10.991 1.00 0.00 C ATOM 290 CE LYS A 21 -9.890 15.872 -12.508 1.00 0.00 C ATOM 291 NZ LYS A 21 -8.568 16.128 -13.143 1.00 0.00 N ATOM 0 H LYS A 21 -8.807 11.551 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.824 12.941 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.532 12.988 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.297 14.009 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.756 14.657 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.513 14.133 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.777 16.028 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.141 16.649 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.286 14.921 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.595 16.645 -12.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.676 16.140 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.201 17.047 -12.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.902 15.376 -12.873 1.00 0.00 H new ATOM 305 N VAL A 22 -12.094 11.947 -7.985 1.00 0.00 N ATOM 306 CA VAL A 22 -13.313 11.221 -7.650 1.00 0.00 C ATOM 307 C VAL A 22 -14.470 12.180 -7.392 1.00 0.00 C ATOM 308 O VAL A 22 -14.261 13.345 -7.053 1.00 0.00 O ATOM 309 CB VAL A 22 -13.113 10.330 -6.410 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.031 9.293 -6.666 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.772 11.179 -5.194 1.00 0.00 C ATOM 0 H VAL A 22 -11.888 12.733 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.551 10.590 -8.506 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.046 9.804 -6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.904 8.673 -5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.321 8.665 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.091 9.796 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.634 10.533 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.853 11.733 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.585 11.879 -5.000 1.00 0.00 H new ATOM 321 N PHE A 23 -15.691 11.682 -7.554 1.00 0.00 N ATOM 322 CA PHE A 23 -16.883 12.494 -7.340 1.00 0.00 C ATOM 323 C PHE A 23 -17.324 12.438 -5.880 1.00 0.00 C ATOM 324 O PHE A 23 -17.237 11.394 -5.233 1.00 0.00 O ATOM 325 CB PHE A 23 -18.020 12.019 -8.247 1.00 0.00 C ATOM 326 CG PHE A 23 -18.994 13.105 -8.605 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.572 14.236 -9.286 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.332 12.995 -8.263 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.466 15.236 -9.617 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.231 13.992 -8.591 1.00 0.00 C ATOM 331 CZ PHE A 23 -20.797 15.114 -9.270 1.00 0.00 C ATOM 0 H PHE A 23 -15.881 10.719 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.638 13.527 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.596 11.606 -9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.556 11.210 -7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.532 14.337 -9.561 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.677 12.119 -7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.124 16.113 -10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.271 13.894 -8.317 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.497 15.894 -9.529 1.00 0.00 H new ATOM 341 N THR A 24 -17.798 13.569 -5.367 1.00 0.00 N ATOM 342 CA THR A 24 -18.251 13.650 -3.984 1.00 0.00 C ATOM 343 C THR A 24 -19.452 12.743 -3.745 1.00 0.00 C ATOM 344 O THR A 24 -20.030 12.201 -4.686 1.00 0.00 O ATOM 345 CB THR A 24 -18.627 15.094 -3.600 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.899 15.172 -2.196 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.843 15.563 -4.384 1.00 0.00 C ATOM 0 H THR A 24 -17.878 14.442 -5.889 1.00 0.00 H new ATOM 0 HA THR A 24 -17.421 13.320 -3.359 1.00 0.00 H new ATOM 0 HB THR A 24 -17.785 15.743 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.136 16.093 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.090 16.585 -4.096 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.623 15.530 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.689 14.911 -4.168 1.00 0.00 H new ATOM 355 N GLY A 25 -19.825 12.583 -2.479 1.00 0.00 N ATOM 356 CA GLY A 25 -20.957 11.741 -2.139 1.00 0.00 C ATOM 357 C GLY A 25 -21.008 10.476 -2.972 1.00 0.00 C ATOM 358 O GLY A 25 -22.082 10.042 -3.389 1.00 0.00 O ATOM 0 H GLY A 25 -19.363 13.022 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.904 11.475 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.880 12.303 -2.281 1.00 0.00 H new ATOM 362 N SER A 26 -19.844 9.882 -3.217 1.00 0.00 N ATOM 363 CA SER A 26 -19.761 8.662 -4.010 1.00 0.00 C ATOM 364 C SER A 26 -18.844 7.641 -3.343 1.00 0.00 C ATOM 365 O SER A 26 -17.811 7.995 -2.776 1.00 0.00 O ATOM 366 CB SER A 26 -19.251 8.977 -5.418 1.00 0.00 C ATOM 367 OG SER A 26 -20.049 9.971 -6.038 1.00 0.00 O ATOM 0 H SER A 26 -18.946 10.226 -2.877 1.00 0.00 H new ATOM 0 HA SER A 26 -20.762 8.236 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.217 9.317 -5.366 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.259 8.070 -6.023 1.00 0.00 H new ATOM 0 HG SER A 26 -19.827 10.849 -5.664 1.00 0.00 H new ATOM 373 N ALA A 27 -19.231 6.372 -3.414 1.00 0.00 N ATOM 374 CA ALA A 27 -18.445 5.298 -2.819 1.00 0.00 C ATOM 375 C ALA A 27 -17.626 4.566 -3.876 1.00 0.00 C ATOM 376 O ALA A 27 -18.170 3.822 -4.692 1.00 0.00 O ATOM 377 CB ALA A 27 -19.353 4.324 -2.084 1.00 0.00 C ATOM 0 H ALA A 27 -20.085 6.062 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.752 5.742 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.752 3.527 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.889 4.851 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.069 3.894 -2.785 1.00 0.00 H new ATOM 383 N HIS A 28 -16.314 4.783 -3.857 1.00 0.00 N ATOM 384 CA HIS A 28 -15.420 4.143 -4.815 1.00 0.00 C ATOM 385 C HIS A 28 -14.861 2.840 -4.251 1.00 0.00 C ATOM 386 O HIS A 28 -14.685 2.702 -3.040 1.00 0.00 O ATOM 387 CB HIS A 28 -14.274 5.086 -5.183 1.00 0.00 C ATOM 388 CG HIS A 28 -14.702 6.251 -6.021 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.276 6.442 -7.319 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.525 7.288 -5.741 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.817 7.547 -7.800 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.580 8.080 -6.862 1.00 0.00 N ATOM 0 H HIS A 28 -15.847 5.397 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.994 3.913 -5.712 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.812 5.457 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.510 4.524 -5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.043 7.461 -4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.662 7.947 -8.791 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -16.121 8.939 -6.955 1.00 0.00 H new ATOM 400 N CYS A 29 -14.585 1.889 -5.136 1.00 0.00 N ATOM 401 CA CYS A 29 -14.048 0.596 -4.725 1.00 0.00 C ATOM 402 C CYS A 29 -12.610 0.429 -5.204 1.00 0.00 C ATOM 403 O CYS A 29 -12.350 0.344 -6.404 1.00 0.00 O ATOM 404 CB CYS A 29 -14.916 -0.538 -5.274 1.00 0.00 C ATOM 405 SG CYS A 29 -15.139 -0.495 -7.068 1.00 0.00 S ATOM 0 H CYS A 29 -14.724 1.988 -6.142 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.057 0.556 -3.636 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.467 -1.492 -4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.895 -0.496 -4.796 1.00 0.00 H new ATOM 0 HG CYS A 29 -14.028 -0.128 -7.635 1.00 0.00 H new ATOM 411 N TYR A 30 -11.679 0.384 -4.257 1.00 0.00 N ATOM 412 CA TYR A 30 -10.266 0.230 -4.582 1.00 0.00 C ATOM 413 C TYR A 30 -9.737 -1.115 -4.094 1.00 0.00 C ATOM 414 O TYR A 30 -10.314 -1.732 -3.200 1.00 0.00 O ATOM 415 CB TYR A 30 -9.452 1.367 -3.961 1.00 0.00 C ATOM 416 CG TYR A 30 -9.985 2.743 -4.289 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.018 3.203 -5.600 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.457 3.584 -3.288 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.504 4.460 -5.904 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.946 4.842 -3.583 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.966 5.275 -4.893 1.00 0.00 C ATOM 422 OH TYR A 30 -11.452 6.528 -5.192 1.00 0.00 O ATOM 0 H TYR A 30 -11.877 0.452 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.163 0.268 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.436 1.242 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.421 1.294 -4.306 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.658 2.567 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.441 3.248 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.522 4.802 -6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.310 5.482 -2.793 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.739 6.973 -4.367 1.00 0.00 H new ATOM 432 N GLU A 31 -8.634 -1.561 -4.688 1.00 0.00 N ATOM 433 CA GLU A 31 -8.027 -2.833 -4.314 1.00 0.00 C ATOM 434 C GLU A 31 -6.515 -2.691 -4.165 1.00 0.00 C ATOM 435 O GLU A 31 -5.883 -1.906 -4.871 1.00 0.00 O ATOM 436 CB GLU A 31 -8.350 -3.904 -5.357 1.00 0.00 C ATOM 437 CG GLU A 31 -8.208 -5.324 -4.836 1.00 0.00 C ATOM 438 CD GLU A 31 -8.837 -6.350 -5.759 1.00 0.00 C ATOM 439 OE1 GLU A 31 -8.237 -6.643 -6.815 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.927 -6.859 -5.426 1.00 0.00 O ATOM 0 H GLU A 31 -8.143 -1.061 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.442 -3.136 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.370 -3.757 -5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.691 -3.773 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.151 -5.556 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.671 -5.394 -3.852 1.00 0.00 H new ATOM 447 N ALA A 32 -5.943 -3.457 -3.242 1.00 0.00 N ATOM 448 CA ALA A 32 -4.506 -3.418 -3.001 1.00 0.00 C ATOM 449 C ALA A 32 -3.980 -4.792 -2.600 1.00 0.00 C ATOM 450 O ALA A 32 -4.373 -5.341 -1.570 1.00 0.00 O ATOM 451 CB ALA A 32 -4.178 -2.391 -1.927 1.00 0.00 C ATOM 0 H ALA A 32 -6.453 -4.112 -2.649 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.015 -3.126 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.101 -2.373 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.511 -1.405 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.687 -2.658 -1.001 1.00 0.00 H new ATOM 457 N ILE A 33 -3.089 -5.341 -3.419 1.00 0.00 N ATOM 458 CA ILE A 33 -2.509 -6.651 -3.148 1.00 0.00 C ATOM 459 C ILE A 33 -1.260 -6.531 -2.282 1.00 0.00 C ATOM 460 O ILE A 33 -0.333 -5.788 -2.609 1.00 0.00 O ATOM 461 CB ILE A 33 -2.148 -7.387 -4.452 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.094 -6.967 -5.579 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.199 -8.893 -4.242 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.552 -6.975 -5.178 1.00 0.00 C ATOM 0 H ILE A 33 -2.753 -4.899 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.265 -7.226 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.132 -7.115 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.824 -5.966 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.955 -7.637 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.942 -9.399 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.488 -9.176 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.204 -9.184 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.164 -6.667 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.839 -7.980 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.705 -6.284 -4.349 1.00 0.00 H new ATOM 476 N LEU A 34 -1.240 -7.267 -1.177 1.00 0.00 N ATOM 477 CA LEU A 34 -0.103 -7.245 -0.263 1.00 0.00 C ATOM 478 C LEU A 34 0.636 -8.579 -0.282 1.00 0.00 C ATOM 479 O LEU A 34 0.082 -9.613 0.093 1.00 0.00 O ATOM 480 CB LEU A 34 -0.572 -6.929 1.158 1.00 0.00 C ATOM 481 CG LEU A 34 0.527 -6.597 2.168 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.171 -5.259 1.837 1.00 0.00 C ATOM 483 CD2 LEU A 34 -0.035 -6.585 3.582 1.00 0.00 C ATOM 0 H LEU A 34 -1.998 -7.887 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 34 0.583 -6.466 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.263 -6.087 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.136 -7.784 1.532 1.00 0.00 H new ATOM 0 HG LEU A 34 1.293 -7.370 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.951 -5.040 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.609 -5.303 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.415 -4.474 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.761 -6.347 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.821 -5.834 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.448 -7.566 3.818 1.00 0.00 H new ATOM 495 N TYR A 35 1.891 -8.549 -0.719 1.00 0.00 N ATOM 496 CA TYR A 35 2.706 -9.755 -0.786 1.00 0.00 C ATOM 497 C TYR A 35 3.435 -9.995 0.532 1.00 0.00 C ATOM 498 O TYR A 35 4.084 -9.097 1.068 1.00 0.00 O ATOM 499 CB TYR A 35 3.717 -9.649 -1.929 1.00 0.00 C ATOM 500 CG TYR A 35 3.083 -9.654 -3.301 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.159 -8.682 -3.664 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.406 -10.631 -4.235 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.576 -8.682 -4.917 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.830 -10.638 -5.490 1.00 0.00 C ATOM 505 CZ TYR A 35 1.915 -9.662 -5.826 1.00 0.00 C ATOM 506 OH TYR A 35 1.337 -9.667 -7.075 1.00 0.00 O ATOM 0 H TYR A 35 2.365 -7.702 -1.032 1.00 0.00 H new ATOM 0 HA TYR A 35 2.044 -10.600 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.294 -8.732 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.419 -10.480 -1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.892 -7.913 -2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.120 -11.398 -3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.859 -7.919 -5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.094 -11.403 -6.205 1.00 0.00 H new ATOM 0 HH TYR A 35 1.685 -10.422 -7.593 1.00 0.00 H new ATOM 516 N ASN A 36 3.323 -11.214 1.050 1.00 0.00 N ATOM 517 CA ASN A 36 3.972 -11.573 2.306 1.00 0.00 C ATOM 518 C ASN A 36 5.294 -12.290 2.050 1.00 0.00 C ATOM 519 O ASN A 36 5.327 -13.353 1.430 1.00 0.00 O ATOM 520 CB ASN A 36 3.050 -12.462 3.143 1.00 0.00 C ATOM 521 CG ASN A 36 3.692 -12.894 4.448 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.404 -12.120 5.088 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.443 -14.136 4.847 1.00 0.00 N ATOM 0 H ASN A 36 2.789 -11.969 0.620 1.00 0.00 H new ATOM 0 HA ASN A 36 4.178 -10.655 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.126 -11.924 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.778 -13.345 2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.848 -14.483 5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.847 -14.743 4.284 1.00 0.00 H new ATOM 530 N LYS A 37 6.383 -11.701 2.533 1.00 0.00 N ATOM 531 CA LYS A 37 7.708 -12.283 2.359 1.00 0.00 C ATOM 532 C LYS A 37 8.158 -13.001 3.628 1.00 0.00 C ATOM 533 O LYS A 37 9.351 -13.083 3.917 1.00 0.00 O ATOM 534 CB LYS A 37 8.720 -11.196 1.990 1.00 0.00 C ATOM 535 CG LYS A 37 8.318 -10.379 0.774 1.00 0.00 C ATOM 536 CD LYS A 37 8.654 -11.101 -0.520 1.00 0.00 C ATOM 537 CE LYS A 37 7.486 -11.946 -1.005 1.00 0.00 C ATOM 538 NZ LYS A 37 6.591 -11.183 -1.918 1.00 0.00 N ATOM 0 H LYS A 37 6.374 -10.821 3.048 1.00 0.00 H new ATOM 0 HA LYS A 37 7.654 -13.011 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.848 -10.527 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.688 -11.661 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.248 -10.174 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.828 -9.416 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.921 -10.373 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.526 -11.737 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.865 -12.828 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.914 -12.300 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.739 -11.745 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.317 -10.287 -1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.091 -10.983 -2.808 1.00 0.00 H new ATOM 552 N GLY A 38 7.194 -13.521 4.382 1.00 0.00 N ATOM 553 CA GLY A 38 7.511 -14.226 5.610 1.00 0.00 C ATOM 554 C GLY A 38 7.606 -15.726 5.409 1.00 0.00 C ATOM 555 O GLY A 38 6.923 -16.289 4.553 1.00 0.00 O ATOM 0 H GLY A 38 6.199 -13.466 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.457 -13.855 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.747 -14.010 6.357 1.00 0.00 H new ATOM 559 N SER A 39 8.455 -16.375 6.199 1.00 0.00 N ATOM 560 CA SER A 39 8.640 -17.818 6.101 1.00 0.00 C ATOM 561 C SER A 39 7.349 -18.556 6.440 1.00 0.00 C ATOM 562 O SER A 39 7.023 -19.573 5.827 1.00 0.00 O ATOM 563 CB SER A 39 9.762 -18.274 7.035 1.00 0.00 C ATOM 564 OG SER A 39 9.885 -19.686 7.034 1.00 0.00 O ATOM 0 H SER A 39 9.026 -15.924 6.914 1.00 0.00 H new ATOM 0 HA SER A 39 8.914 -18.055 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.704 -17.824 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.561 -17.924 8.048 1.00 0.00 H new ATOM 0 HG SER A 39 10.610 -19.952 7.638 1.00 0.00 H new ATOM 570 N ILE A 40 6.618 -18.036 7.420 1.00 0.00 N ATOM 571 CA ILE A 40 5.362 -18.645 7.841 1.00 0.00 C ATOM 572 C ILE A 40 4.260 -17.599 7.966 1.00 0.00 C ATOM 573 O ILE A 40 4.505 -16.402 7.814 1.00 0.00 O ATOM 574 CB ILE A 40 5.514 -19.378 9.187 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.035 -18.418 10.259 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.446 -20.571 9.038 1.00 0.00 C ATOM 577 CD1 ILE A 40 4.952 -17.569 10.887 1.00 0.00 C ATOM 0 H ILE A 40 6.873 -17.195 7.937 1.00 0.00 H new ATOM 0 HA ILE A 40 5.089 -19.368 7.073 1.00 0.00 H new ATOM 0 HB ILE A 40 4.535 -19.743 9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.533 -18.993 11.040 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.787 -17.765 9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.543 -21.079 9.998 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.037 -21.263 8.301 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.427 -20.228 8.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.393 -16.913 11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.469 -16.967 10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.212 -18.215 11.360 1.00 0.00 H new ATOM 589 N ASP A 41 3.045 -18.058 8.246 1.00 0.00 N ATOM 590 CA ASP A 41 1.904 -17.162 8.396 1.00 0.00 C ATOM 591 C ASP A 41 2.310 -15.881 9.118 1.00 0.00 C ATOM 592 O ASP A 41 2.764 -15.919 10.261 1.00 0.00 O ATOM 593 CB ASP A 41 0.778 -17.858 9.161 1.00 0.00 C ATOM 594 CG ASP A 41 1.299 -18.856 10.177 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.953 -19.836 9.764 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.053 -18.656 11.385 1.00 0.00 O ATOM 0 H ASP A 41 2.825 -19.046 8.374 1.00 0.00 H new ATOM 0 HA ASP A 41 1.547 -16.899 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.171 -17.109 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.125 -18.370 8.454 1.00 0.00 H new ATOM 601 N ALA A 42 2.145 -14.749 8.442 1.00 0.00 N ATOM 602 CA ALA A 42 2.493 -13.456 9.019 1.00 0.00 C ATOM 603 C ALA A 42 1.243 -12.663 9.384 1.00 0.00 C ATOM 604 O ALA A 42 0.368 -12.443 8.545 1.00 0.00 O ATOM 605 CB ALA A 42 3.361 -12.663 8.053 1.00 0.00 C ATOM 0 H ALA A 42 1.772 -14.701 7.494 1.00 0.00 H new ATOM 0 HA ALA A 42 3.058 -13.635 9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.613 -11.700 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.276 -13.218 7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.816 -12.502 7.123 1.00 0.00 H new ATOM 611 N LEU A 43 1.164 -12.236 10.639 1.00 0.00 N ATOM 612 CA LEU A 43 0.019 -11.467 11.115 1.00 0.00 C ATOM 613 C LEU A 43 0.167 -9.992 10.755 1.00 0.00 C ATOM 614 O LEU A 43 1.279 -9.475 10.653 1.00 0.00 O ATOM 615 CB LEU A 43 -0.130 -11.621 12.629 1.00 0.00 C ATOM 616 CG LEU A 43 -0.848 -12.884 13.108 1.00 0.00 C ATOM 617 CD1 LEU A 43 -0.050 -14.124 12.738 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.084 -12.827 14.610 1.00 0.00 C ATOM 0 H LEU A 43 1.879 -12.409 11.346 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.876 -11.854 10.627 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.864 -11.601 13.076 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.669 -10.754 13.011 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.817 -12.939 12.611 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.576 -15.013 13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.066 -14.172 11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.933 -14.077 13.206 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.596 -13.734 14.933 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.127 -12.747 15.126 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.698 -11.959 14.849 1.00 0.00 H new ATOM 630 N PHE A 44 -0.963 -9.319 10.565 1.00 0.00 N ATOM 631 CA PHE A 44 -0.960 -7.902 10.218 1.00 0.00 C ATOM 632 C PHE A 44 -2.254 -7.230 10.666 1.00 0.00 C ATOM 633 O PHE A 44 -3.181 -7.891 11.133 1.00 0.00 O ATOM 634 CB PHE A 44 -0.777 -7.726 8.709 1.00 0.00 C ATOM 635 CG PHE A 44 -2.027 -7.987 7.918 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.410 -9.282 7.611 1.00 0.00 C ATOM 637 CD2 PHE A 44 -2.818 -6.937 7.482 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.560 -9.526 6.884 1.00 0.00 C ATOM 639 CE2 PHE A 44 -3.969 -7.174 6.755 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.340 -8.470 6.454 1.00 0.00 C ATOM 0 H PHE A 44 -1.892 -9.732 10.645 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.127 -7.428 10.736 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.436 -6.710 8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.008 -8.400 8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.803 -10.111 7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.532 -5.921 7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.848 -10.541 6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.578 -6.346 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.238 -8.657 5.884 1.00 0.00 H new ATOM 650 N ASN A 45 -2.309 -5.910 10.520 1.00 0.00 N ATOM 651 CA ASN A 45 -3.489 -5.146 10.911 1.00 0.00 C ATOM 652 C ASN A 45 -3.363 -3.689 10.475 1.00 0.00 C ATOM 653 O ASN A 45 -2.257 -3.175 10.306 1.00 0.00 O ATOM 654 CB ASN A 45 -3.692 -5.221 12.426 1.00 0.00 C ATOM 655 CG ASN A 45 -4.983 -4.560 12.869 1.00 0.00 C ATOM 656 OD1 ASN A 45 -6.071 -5.099 12.667 1.00 0.00 O ATOM 657 ND2 ASN A 45 -4.867 -3.385 13.478 1.00 0.00 N ATOM 0 H ASN A 45 -1.551 -5.347 10.134 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.355 -5.582 10.413 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.696 -6.265 12.738 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.851 -4.742 12.927 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.701 -2.893 13.799 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.944 -2.975 13.624 1.00 0.00 H new ATOM 664 N MET A 46 -4.503 -3.030 10.297 1.00 0.00 N ATOM 665 CA MET A 46 -4.520 -1.632 9.883 1.00 0.00 C ATOM 666 C MET A 46 -4.606 -0.707 11.093 1.00 0.00 C ATOM 667 O MET A 46 -5.091 -1.100 12.155 1.00 0.00 O ATOM 668 CB MET A 46 -5.697 -1.371 8.942 1.00 0.00 C ATOM 669 CG MET A 46 -5.681 -2.236 7.693 1.00 0.00 C ATOM 670 SD MET A 46 -4.213 -1.968 6.681 1.00 0.00 S ATOM 671 CE MET A 46 -4.487 -0.288 6.125 1.00 0.00 C ATOM 0 H MET A 46 -5.426 -3.441 10.433 1.00 0.00 H new ATOM 0 HA MET A 46 -3.589 -1.424 9.355 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.628 -1.544 9.482 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.690 -0.322 8.647 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.731 -3.286 7.982 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.570 -2.026 7.099 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.343 -0.234 5.046 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.505 0.015 6.371 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.780 0.379 6.619 1.00 0.00 H new ATOM 681 N THR A 47 -4.131 0.523 10.927 1.00 0.00 N ATOM 682 CA THR A 47 -4.153 1.503 12.006 1.00 0.00 C ATOM 683 C THR A 47 -5.128 2.634 11.702 1.00 0.00 C ATOM 684 O THR A 47 -5.119 3.220 10.619 1.00 0.00 O ATOM 685 CB THR A 47 -2.754 2.098 12.253 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.921 1.136 12.908 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.845 3.359 13.100 1.00 0.00 C ATOM 0 H THR A 47 -3.726 0.865 10.055 1.00 0.00 H new ATOM 0 HA THR A 47 -4.480 0.978 12.903 1.00 0.00 H new ATOM 0 HB THR A 47 -2.318 2.358 11.288 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.033 1.522 13.060 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.845 3.762 13.262 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.456 4.100 12.585 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.299 3.120 14.061 1.00 0.00 H new ATOM 695 N PRO A 48 -5.991 2.952 12.679 1.00 0.00 N ATOM 696 CA PRO A 48 -6.988 4.017 12.538 1.00 0.00 C ATOM 697 C PRO A 48 -6.355 5.404 12.512 1.00 0.00 C ATOM 698 O PRO A 48 -5.653 5.810 13.439 1.00 0.00 O ATOM 699 CB PRO A 48 -7.862 3.852 13.784 1.00 0.00 C ATOM 700 CG PRO A 48 -6.976 3.191 14.783 1.00 0.00 C ATOM 701 CD PRO A 48 -6.059 2.296 13.995 1.00 0.00 C ATOM 0 HA PRO A 48 -7.539 3.938 11.601 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.219 4.816 14.148 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.742 3.245 13.573 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.409 3.929 15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.559 2.616 15.502 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.075 2.221 14.458 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.454 1.283 13.919 1.00 0.00 H new ATOM 709 N PRO A 49 -6.607 6.151 11.427 1.00 0.00 N ATOM 710 CA PRO A 49 -6.072 7.504 11.255 1.00 0.00 C ATOM 711 C PRO A 49 -6.709 8.506 12.212 1.00 0.00 C ATOM 712 O PRO A 49 -7.611 8.163 12.977 1.00 0.00 O ATOM 713 CB PRO A 49 -6.431 7.846 9.806 1.00 0.00 C ATOM 714 CG PRO A 49 -7.619 7.001 9.501 1.00 0.00 C ATOM 715 CD PRO A 49 -7.436 5.731 10.284 1.00 0.00 C ATOM 0 HA PRO A 49 -5.004 7.549 11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.660 8.906 9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.604 7.625 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.541 7.506 9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.687 6.795 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.391 5.319 10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.942 4.961 9.691 1.00 0.00 H new ATOM 723 N THR A 50 -6.235 9.747 12.165 1.00 0.00 N ATOM 724 CA THR A 50 -6.758 10.798 13.028 1.00 0.00 C ATOM 725 C THR A 50 -7.480 11.868 12.216 1.00 0.00 C ATOM 726 O THR A 50 -8.435 12.482 12.692 1.00 0.00 O ATOM 727 CB THR A 50 -5.635 11.463 13.847 1.00 0.00 C ATOM 728 OG1 THR A 50 -4.818 10.460 14.461 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.214 12.378 14.916 1.00 0.00 C ATOM 0 H THR A 50 -5.489 10.049 11.538 1.00 0.00 H new ATOM 0 HA THR A 50 -7.464 10.324 13.710 1.00 0.00 H new ATOM 0 HB THR A 50 -5.027 12.062 13.170 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.105 10.890 14.978 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.402 12.836 15.481 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.812 13.157 14.443 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.843 11.797 15.590 1.00 0.00 H new ATOM 737 N SER A 51 -7.019 12.085 10.989 1.00 0.00 N ATOM 738 CA SER A 51 -7.620 13.083 10.112 1.00 0.00 C ATOM 739 C SER A 51 -9.011 12.646 9.665 1.00 0.00 C ATOM 740 O SER A 51 -9.362 11.469 9.751 1.00 0.00 O ATOM 741 CB SER A 51 -6.730 13.321 8.890 1.00 0.00 C ATOM 742 OG SER A 51 -7.035 14.559 8.271 1.00 0.00 O ATOM 0 H SER A 51 -6.231 11.583 10.579 1.00 0.00 H new ATOM 0 HA SER A 51 -7.713 14.014 10.672 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.683 13.310 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.865 12.510 8.174 1.00 0.00 H new ATOM 0 HG SER A 51 -6.719 14.548 7.343 1.00 0.00 H new ATOM 748 N ALA A 52 -9.800 13.603 9.187 1.00 0.00 N ATOM 749 CA ALA A 52 -11.152 13.318 8.724 1.00 0.00 C ATOM 750 C ALA A 52 -11.131 12.514 7.428 1.00 0.00 C ATOM 751 O ALA A 52 -11.826 11.505 7.299 1.00 0.00 O ATOM 752 CB ALA A 52 -11.928 14.612 8.532 1.00 0.00 C ATOM 0 H ALA A 52 -9.526 14.582 9.110 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.651 12.718 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.936 14.384 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.982 15.148 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.423 15.233 7.793 1.00 0.00 H new ATOM 758 N LEU A 53 -10.331 12.968 6.469 1.00 0.00 N ATOM 759 CA LEU A 53 -10.220 12.291 5.182 1.00 0.00 C ATOM 760 C LEU A 53 -9.603 10.906 5.346 1.00 0.00 C ATOM 761 O LEU A 53 -9.916 9.982 4.596 1.00 0.00 O ATOM 762 CB LEU A 53 -9.377 13.126 4.216 1.00 0.00 C ATOM 763 CG LEU A 53 -10.145 14.113 3.336 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.923 13.375 2.258 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.079 14.966 4.182 1.00 0.00 C ATOM 0 H LEU A 53 -9.750 13.802 6.559 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.224 12.175 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.641 13.683 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.824 12.447 3.568 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.426 14.771 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.463 14.094 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.232 12.809 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.633 12.692 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.617 15.663 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.792 14.323 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.497 15.524 4.916 1.00 0.00 H new ATOM 777 N GLY A 54 -8.725 10.768 6.335 1.00 0.00 N ATOM 778 CA GLY A 54 -8.079 9.492 6.582 1.00 0.00 C ATOM 779 C GLY A 54 -9.056 8.428 7.042 1.00 0.00 C ATOM 780 O GLY A 54 -9.038 7.303 6.544 1.00 0.00 O ATOM 0 H GLY A 54 -8.450 11.517 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.583 9.157 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.304 9.621 7.338 1.00 0.00 H new ATOM 784 N ALA A 55 -9.909 8.783 7.997 1.00 0.00 N ATOM 785 CA ALA A 55 -10.897 7.850 8.524 1.00 0.00 C ATOM 786 C ALA A 55 -11.936 7.495 7.466 1.00 0.00 C ATOM 787 O ALA A 55 -12.494 6.397 7.475 1.00 0.00 O ATOM 788 CB ALA A 55 -11.573 8.437 9.754 1.00 0.00 C ATOM 0 H ALA A 55 -9.936 9.710 8.422 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.380 6.934 8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.309 7.730 10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.824 8.634 10.522 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.071 9.369 9.486 1.00 0.00 H new ATOM 794 N CYS A 56 -12.191 8.429 6.557 1.00 0.00 N ATOM 795 CA CYS A 56 -13.165 8.214 5.493 1.00 0.00 C ATOM 796 C CYS A 56 -12.869 6.922 4.738 1.00 0.00 C ATOM 797 O CYS A 56 -13.777 6.272 4.219 1.00 0.00 O ATOM 798 CB CYS A 56 -13.162 9.397 4.524 1.00 0.00 C ATOM 799 SG CYS A 56 -13.974 10.880 5.166 1.00 0.00 S ATOM 0 H CYS A 56 -11.737 9.342 6.535 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.152 8.129 5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.131 9.642 4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.656 9.097 3.600 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.259 11.384 6.128 1.00 0.00 H new ATOM 805 N PHE A 57 -11.593 6.556 4.679 1.00 0.00 N ATOM 806 CA PHE A 57 -11.177 5.343 3.986 1.00 0.00 C ATOM 807 C PHE A 57 -11.432 4.109 4.846 1.00 0.00 C ATOM 808 O PHE A 57 -11.280 4.148 6.067 1.00 0.00 O ATOM 809 CB PHE A 57 -9.694 5.424 3.618 1.00 0.00 C ATOM 810 CG PHE A 57 -9.423 6.260 2.399 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.227 7.627 2.510 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.365 5.678 1.143 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.979 8.398 1.390 1.00 0.00 C ATOM 814 CE2 PHE A 57 -9.116 6.444 0.020 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.922 7.806 0.144 1.00 0.00 C ATOM 0 H PHE A 57 -10.829 7.082 5.103 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.767 5.256 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.141 5.836 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.314 4.416 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.268 8.095 3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.516 4.614 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.830 9.463 1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.073 5.978 -0.953 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.726 8.407 -0.732 1.00 0.00 H new ATOM 825 N VAL A 58 -11.823 3.015 4.200 1.00 0.00 N ATOM 826 CA VAL A 58 -12.099 1.769 4.905 1.00 0.00 C ATOM 827 C VAL A 58 -11.231 0.633 4.375 1.00 0.00 C ATOM 828 O VAL A 58 -11.539 0.030 3.347 1.00 0.00 O ATOM 829 CB VAL A 58 -13.581 1.369 4.779 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.854 0.081 5.540 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.480 2.492 5.275 1.00 0.00 C ATOM 0 H VAL A 58 -11.956 2.966 3.190 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.865 1.942 5.955 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.803 1.194 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.906 -0.185 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.236 -0.720 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.615 0.224 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.524 2.192 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.258 2.701 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.304 3.389 4.681 1.00 0.00 H new ATOM 841 N PHE A 59 -10.144 0.347 5.084 1.00 0.00 N ATOM 842 CA PHE A 59 -9.229 -0.717 4.684 1.00 0.00 C ATOM 843 C PHE A 59 -9.657 -2.054 5.282 1.00 0.00 C ATOM 844 O PHE A 59 -10.059 -2.127 6.443 1.00 0.00 O ATOM 845 CB PHE A 59 -7.802 -0.382 5.122 1.00 0.00 C ATOM 846 CG PHE A 59 -7.224 0.813 4.419 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.686 2.088 4.698 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.217 0.660 3.479 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.156 3.189 4.052 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.683 1.757 2.830 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.153 3.023 3.117 1.00 0.00 C ATOM 0 H PHE A 59 -9.875 0.836 5.938 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.258 -0.799 3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.794 -0.200 6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.162 -1.245 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.470 2.224 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.845 -0.328 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.526 4.178 4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.899 1.624 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.737 3.882 2.611 1.00 0.00 H new ATOM 861 N SER A 60 -9.566 -3.110 4.480 1.00 0.00 N ATOM 862 CA SER A 60 -9.947 -4.444 4.927 1.00 0.00 C ATOM 863 C SER A 60 -9.155 -5.514 4.181 1.00 0.00 C ATOM 864 O SER A 60 -8.625 -5.285 3.094 1.00 0.00 O ATOM 865 CB SER A 60 -11.447 -4.666 4.720 1.00 0.00 C ATOM 866 OG SER A 60 -12.192 -4.182 5.824 1.00 0.00 O ATOM 0 H SER A 60 -9.232 -3.067 3.517 1.00 0.00 H new ATOM 0 HA SER A 60 -9.719 -4.523 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.770 -4.161 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.645 -5.729 4.582 1.00 0.00 H new ATOM 0 HG SER A 60 -11.709 -3.440 6.244 1.00 0.00 H new ATOM 872 N PRO A 61 -9.072 -6.712 4.779 1.00 0.00 N ATOM 873 CA PRO A 61 -9.699 -6.996 6.073 1.00 0.00 C ATOM 874 C PRO A 61 -9.012 -6.266 7.222 1.00 0.00 C ATOM 875 O PRO A 61 -7.784 -6.201 7.285 1.00 0.00 O ATOM 876 CB PRO A 61 -9.530 -8.510 6.225 1.00 0.00 C ATOM 877 CG PRO A 61 -8.340 -8.843 5.393 1.00 0.00 C ATOM 878 CD PRO A 61 -8.360 -7.881 4.237 1.00 0.00 C ATOM 0 HA PRO A 61 -10.737 -6.664 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.375 -8.788 7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.416 -9.044 5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.420 -8.741 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.385 -9.874 5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.352 -7.623 3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.876 -8.301 3.373 1.00 0.00 H new ATOM 886 N LYS A 62 -9.811 -5.717 8.131 1.00 0.00 N ATOM 887 CA LYS A 62 -9.281 -4.992 9.280 1.00 0.00 C ATOM 888 C LYS A 62 -8.106 -5.741 9.900 1.00 0.00 C ATOM 889 O LYS A 62 -7.271 -5.148 10.582 1.00 0.00 O ATOM 890 CB LYS A 62 -10.377 -4.784 10.327 1.00 0.00 C ATOM 891 CG LYS A 62 -10.784 -6.059 11.044 1.00 0.00 C ATOM 892 CD LYS A 62 -11.938 -5.817 12.002 1.00 0.00 C ATOM 893 CE LYS A 62 -12.779 -7.070 12.191 1.00 0.00 C ATOM 894 NZ LYS A 62 -12.100 -8.068 13.063 1.00 0.00 N ATOM 0 H LYS A 62 -10.829 -5.761 8.094 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.928 -4.020 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.031 -4.058 11.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.254 -4.354 9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.070 -6.814 10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.931 -6.456 11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.549 -5.490 12.966 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.565 -5.011 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.740 -6.800 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.986 -7.518 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.095 -8.995 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.121 -7.764 13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.609 -8.143 13.967 1.00 0.00 H new ATOM 908 N GLU A 63 -8.048 -7.047 9.658 1.00 0.00 N ATOM 909 CA GLU A 63 -6.974 -7.876 10.193 1.00 0.00 C ATOM 910 C GLU A 63 -7.040 -9.288 9.620 1.00 0.00 C ATOM 911 O GLU A 63 -8.108 -9.768 9.242 1.00 0.00 O ATOM 912 CB GLU A 63 -7.054 -7.928 11.720 1.00 0.00 C ATOM 913 CG GLU A 63 -7.998 -8.997 12.244 1.00 0.00 C ATOM 914 CD GLU A 63 -8.545 -8.669 13.620 1.00 0.00 C ATOM 915 OE1 GLU A 63 -8.999 -7.523 13.819 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.519 -9.558 14.497 1.00 0.00 O ATOM 0 H GLU A 63 -8.732 -7.553 9.095 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.024 -7.429 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.057 -8.107 12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.377 -6.956 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.827 -9.118 11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.474 -9.952 12.284 1.00 0.00 H new ATOM 923 N GLY A 64 -5.888 -9.950 9.559 1.00 0.00 N ATOM 924 CA GLY A 64 -5.836 -11.301 9.031 1.00 0.00 C ATOM 925 C GLY A 64 -4.422 -11.845 8.969 1.00 0.00 C ATOM 926 O GLY A 64 -3.494 -11.241 9.507 1.00 0.00 O ATOM 0 H GLY A 64 -4.990 -9.575 9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.447 -11.955 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.271 -11.314 8.032 1.00 0.00 H new ATOM 930 N ILE A 65 -4.258 -12.989 8.313 1.00 0.00 N ATOM 931 CA ILE A 65 -2.948 -13.613 8.184 1.00 0.00 C ATOM 932 C ILE A 65 -2.628 -13.922 6.725 1.00 0.00 C ATOM 933 O ILE A 65 -3.399 -14.593 6.038 1.00 0.00 O ATOM 934 CB ILE A 65 -2.861 -14.915 9.003 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.132 -14.630 10.482 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.497 -15.564 8.824 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.431 -15.873 11.291 1.00 0.00 C ATOM 0 H ILE A 65 -5.016 -13.502 7.863 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.220 -12.900 8.571 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.620 -15.607 8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.266 -14.126 10.911 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.974 -13.942 10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.452 -16.483 9.409 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.340 -15.796 7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.721 -14.879 9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.613 -15.596 12.329 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.315 -16.366 10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.581 -16.553 11.241 1.00 0.00 H new ATOM 949 N ILE A 66 -1.484 -13.431 6.259 1.00 0.00 N ATOM 950 CA ILE A 66 -1.061 -13.657 4.883 1.00 0.00 C ATOM 951 C ILE A 66 -0.111 -14.846 4.788 1.00 0.00 C ATOM 952 O ILE A 66 0.971 -14.836 5.375 1.00 0.00 O ATOM 953 CB ILE A 66 -0.368 -12.413 4.295 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.168 -11.152 4.629 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.204 -12.560 2.790 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.489 -9.873 4.193 1.00 0.00 C ATOM 0 H ILE A 66 -0.834 -12.874 6.814 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.962 -13.868 4.307 1.00 0.00 H new ATOM 0 HB ILE A 66 0.622 -12.321 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.146 -11.215 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.339 -11.114 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.287 -11.673 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.403 -13.440 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.184 -12.673 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.112 -9.020 4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.478 -9.787 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.342 -9.889 3.113 1.00 0.00 H new ATOM 968 N GLU A 67 -0.523 -15.868 4.045 1.00 0.00 N ATOM 969 CA GLU A 67 0.293 -17.064 3.873 1.00 0.00 C ATOM 970 C GLU A 67 1.677 -16.707 3.339 1.00 0.00 C ATOM 971 O GLU A 67 1.868 -15.694 2.666 1.00 0.00 O ATOM 972 CB GLU A 67 -0.395 -18.046 2.922 1.00 0.00 C ATOM 973 CG GLU A 67 -0.119 -17.766 1.454 1.00 0.00 C ATOM 974 CD GLU A 67 -0.855 -18.717 0.530 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.098 -18.793 0.624 1.00 0.00 O ATOM 976 OE2 GLU A 67 -0.187 -19.385 -0.286 1.00 0.00 O ATOM 0 H GLU A 67 -1.416 -15.892 3.553 1.00 0.00 H new ATOM 0 HA GLU A 67 0.410 -17.536 4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.066 -19.058 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.471 -18.012 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.411 -16.742 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.952 -17.842 1.269 1.00 0.00 H new ATOM 983 N PRO A 68 2.667 -17.559 3.646 1.00 0.00 N ATOM 984 CA PRO A 68 4.051 -17.355 3.207 1.00 0.00 C ATOM 985 C PRO A 68 4.217 -17.549 1.704 1.00 0.00 C ATOM 986 O PRO A 68 3.625 -18.455 1.116 1.00 0.00 O ATOM 987 CB PRO A 68 4.828 -18.428 3.974 1.00 0.00 C ATOM 988 CG PRO A 68 3.825 -19.493 4.255 1.00 0.00 C ATOM 989 CD PRO A 68 2.511 -18.786 4.444 1.00 0.00 C ATOM 0 HA PRO A 68 4.395 -16.339 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.659 -18.813 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.250 -18.028 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.770 -20.204 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.096 -20.058 5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.675 -19.391 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.323 -18.562 5.494 1.00 0.00 H new ATOM 997 N SER A 69 5.025 -16.693 1.087 1.00 0.00 N ATOM 998 CA SER A 69 5.267 -16.769 -0.350 1.00 0.00 C ATOM 999 C SER A 69 3.957 -16.676 -1.126 1.00 0.00 C ATOM 1000 O SER A 69 3.774 -17.347 -2.141 1.00 0.00 O ATOM 1001 CB SER A 69 5.988 -18.072 -0.699 1.00 0.00 C ATOM 1002 OG SER A 69 7.394 -17.905 -0.651 1.00 0.00 O ATOM 0 H SER A 69 5.523 -15.939 1.559 1.00 0.00 H new ATOM 0 HA SER A 69 5.898 -15.926 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.688 -18.855 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.691 -18.400 -1.695 1.00 0.00 H new ATOM 0 HG SER A 69 7.832 -18.752 -0.876 1.00 0.00 H new ATOM 1008 N GLY A 70 3.046 -15.837 -0.641 1.00 0.00 N ATOM 1009 CA GLY A 70 1.765 -15.670 -1.300 1.00 0.00 C ATOM 1010 C GLY A 70 1.349 -14.216 -1.400 1.00 0.00 C ATOM 1011 O GLY A 70 2.193 -13.329 -1.530 1.00 0.00 O ATOM 0 H GLY A 70 3.173 -15.270 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.816 -16.100 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.003 -16.226 -0.753 1.00 0.00 H new ATOM 1015 N VAL A 71 0.044 -13.970 -1.342 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.483 -12.613 -1.427 1.00 0.00 C ATOM 1017 C VAL A 71 -1.831 -12.501 -0.725 1.00 0.00 C ATOM 1018 O VAL A 71 -2.455 -13.509 -0.396 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.640 -12.163 -2.892 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.718 -11.865 -3.508 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.379 -13.222 -3.697 1.00 0.00 C ATOM 0 H VAL A 71 -0.668 -14.693 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 71 0.237 -11.963 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.229 -11.246 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.587 -11.549 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.206 -11.070 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.336 -12.763 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.481 -12.888 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.818 -14.156 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.368 -13.381 -3.267 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.274 -11.269 -0.499 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.550 -11.026 0.165 1.00 0.00 C ATOM 1033 C GLN A 72 -4.207 -9.756 -0.367 1.00 0.00 C ATOM 1034 O GLN A 72 -3.673 -8.658 -0.212 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.349 -10.915 1.677 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.574 -10.405 2.418 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.740 -11.372 2.352 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.552 -12.584 2.251 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.955 -10.838 2.410 1.00 0.00 N ATOM 0 H GLN A 72 -1.769 -10.424 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.207 -11.869 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.077 -11.894 2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.511 -10.247 1.876 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.314 -10.225 3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.877 -9.447 1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.064 -9.827 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.778 -11.439 2.371 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.368 -9.914 -0.994 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.098 -8.781 -1.546 1.00 0.00 C ATOM 1050 C ALA A 73 -6.639 -7.883 -0.439 1.00 0.00 C ATOM 1051 O ALA A 73 -7.207 -8.365 0.542 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.234 -9.267 -2.435 1.00 0.00 C ATOM 0 H ALA A 73 -5.823 -10.816 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.405 -8.194 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.771 -8.410 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.827 -9.861 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.919 -9.879 -1.848 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.457 -6.577 -0.601 1.00 0.00 N ATOM 1059 CA ILE A 74 -6.927 -5.612 0.386 1.00 0.00 C ATOM 1060 C ILE A 74 -8.034 -4.734 -0.187 1.00 0.00 C ATOM 1061 O ILE A 74 -7.816 -3.989 -1.142 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.780 -4.713 0.886 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.653 -5.566 1.472 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.296 -3.723 1.919 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -4.843 -5.894 2.936 1.00 0.00 C ATOM 0 H ILE A 74 -5.988 -6.162 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.320 -6.186 1.225 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.382 -4.151 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.579 -6.495 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.707 -5.040 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.474 -3.095 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.068 -3.098 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.716 -4.266 2.765 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.007 -6.501 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.886 -4.970 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.773 -6.448 3.067 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.221 -4.826 0.404 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.362 -4.039 -0.048 1.00 0.00 C ATOM 1079 C GLN A 75 -10.381 -2.671 0.627 1.00 0.00 C ATOM 1080 O GLN A 75 -10.379 -2.575 1.855 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.667 -4.782 0.240 1.00 0.00 C ATOM 1082 CG GLN A 75 -11.986 -5.867 -0.775 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.032 -7.042 -0.692 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -10.790 -7.586 0.386 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -10.483 -7.441 -1.834 1.00 0.00 N ATOM 0 H GLN A 75 -9.417 -5.437 1.196 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.267 -3.891 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.609 -5.230 1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.487 -4.064 0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.005 -6.219 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.948 -5.443 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.712 -6.961 -2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.833 -8.227 -1.840 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.399 -1.618 -0.182 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.420 -0.256 0.338 1.00 0.00 C ATOM 1096 C ILE A 76 -11.577 0.541 -0.253 1.00 0.00 C ATOM 1097 O ILE A 76 -11.791 0.539 -1.465 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.100 0.480 0.041 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.908 -0.353 0.518 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.096 1.849 0.705 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.579 0.133 -0.017 1.00 0.00 C ATOM 0 H ILE A 76 -10.399 -1.681 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.549 -0.333 1.418 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.014 0.620 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.879 -0.340 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.055 -1.390 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.157 2.357 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.927 2.442 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.202 1.731 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.779 -0.504 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.589 0.094 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.410 1.160 0.307 1.00 0.00 H new ATOM 1113 N SER A 77 -12.321 1.224 0.611 1.00 0.00 N ATOM 1114 CA SER A 77 -13.459 2.025 0.175 1.00 0.00 C ATOM 1115 C SER A 77 -13.460 3.387 0.863 1.00 0.00 C ATOM 1116 O SER A 77 -13.295 3.481 2.079 1.00 0.00 O ATOM 1117 CB SER A 77 -14.769 1.291 0.469 1.00 0.00 C ATOM 1118 OG SER A 77 -15.844 1.851 -0.265 1.00 0.00 O ATOM 0 H SER A 77 -12.156 1.239 1.617 1.00 0.00 H new ATOM 0 HA SER A 77 -13.372 2.181 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.663 0.236 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.987 1.343 1.536 1.00 0.00 H new ATOM 0 HG SER A 77 -15.522 2.150 -1.141 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.648 4.440 0.074 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.670 5.798 0.605 1.00 0.00 C ATOM 1126 C PHE A 78 -14.941 6.528 0.180 1.00 0.00 C ATOM 1127 O PHE A 78 -15.552 6.192 -0.835 1.00 0.00 O ATOM 1128 CB PHE A 78 -12.440 6.574 0.131 1.00 0.00 C ATOM 1129 CG PHE A 78 -12.606 8.065 0.206 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.498 8.727 1.418 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -12.869 8.804 -0.936 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -12.650 10.099 1.491 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -13.021 10.176 -0.870 1.00 0.00 C ATOM 1134 CZ PHE A 78 -12.913 10.824 0.345 1.00 0.00 C ATOM 0 H PHE A 78 -13.787 4.379 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.654 5.736 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.581 6.281 0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.217 6.293 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.293 8.164 2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.956 8.302 -1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.563 10.603 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -13.224 10.741 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 78 -13.034 11.896 0.399 1.00 0.00 H new ATOM 1144 N SER A 79 -15.333 7.527 0.964 1.00 0.00 N ATOM 1145 CA SER A 79 -16.533 8.302 0.672 1.00 0.00 C ATOM 1146 C SER A 79 -16.678 9.466 1.647 1.00 0.00 C ATOM 1147 O SER A 79 -16.854 9.266 2.849 1.00 0.00 O ATOM 1148 CB SER A 79 -17.772 7.408 0.739 1.00 0.00 C ATOM 1149 OG SER A 79 -18.956 8.161 0.539 1.00 0.00 O ATOM 0 H SER A 79 -14.837 7.819 1.806 1.00 0.00 H new ATOM 0 HA SER A 79 -16.439 8.705 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.702 6.627 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.813 6.910 1.708 1.00 0.00 H new ATOM 0 HG SER A 79 -19.734 7.566 0.585 1.00 0.00 H new ATOM 1155 N SER A 80 -16.604 10.685 1.120 1.00 0.00 N ATOM 1156 CA SER A 80 -16.723 11.882 1.943 1.00 0.00 C ATOM 1157 C SER A 80 -17.233 13.060 1.118 1.00 0.00 C ATOM 1158 O SER A 80 -17.198 13.031 -0.112 1.00 0.00 O ATOM 1159 CB SER A 80 -15.373 12.231 2.572 1.00 0.00 C ATOM 1160 OG SER A 80 -15.544 12.888 3.816 1.00 0.00 O ATOM 0 H SER A 80 -16.462 10.869 0.127 1.00 0.00 H new ATOM 0 HA SER A 80 -17.443 11.678 2.736 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.789 11.322 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.807 12.870 1.894 1.00 0.00 H new ATOM 0 HG SER A 80 -15.206 12.317 4.537 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.707 14.094 1.805 1.00 0.00 N ATOM 1167 CA ILE A 81 -18.223 15.282 1.137 1.00 0.00 C ATOM 1168 C ILE A 81 -17.179 16.394 1.109 1.00 0.00 C ATOM 1169 O ILE A 81 -17.373 17.425 0.464 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.497 15.806 1.825 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.257 15.982 3.326 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.661 14.859 1.576 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.332 16.790 4.019 1.00 0.00 C ATOM 0 H ILE A 81 -17.744 14.133 2.824 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.466 14.989 0.116 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.748 16.778 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.194 14.999 3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.294 16.469 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.554 15.243 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.843 14.780 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.421 13.874 1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.097 16.874 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.380 17.786 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.295 16.293 3.899 1.00 0.00 H new ATOM 1185 N ILE A 82 -16.073 16.177 1.812 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.997 17.160 1.866 1.00 0.00 C ATOM 1187 C ILE A 82 -14.274 17.257 0.526 1.00 0.00 C ATOM 1188 O ILE A 82 -13.513 16.364 0.153 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.975 16.816 2.965 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.561 17.109 4.347 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.687 17.597 2.753 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -13.973 16.253 5.447 1.00 0.00 C ATOM 0 H ILE A 82 -15.898 15.330 2.352 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.458 18.120 2.098 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.746 15.752 2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.396 18.159 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.640 16.955 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.974 17.343 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.263 17.343 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.900 18.666 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.435 16.515 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -14.161 15.202 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.898 16.424 5.506 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.516 18.348 -0.192 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.886 18.564 -1.490 1.00 0.00 C ATOM 1206 C LEU A 83 -12.444 19.032 -1.324 1.00 0.00 C ATOM 1207 O LEU A 83 -12.015 19.377 -0.224 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.679 19.593 -2.298 1.00 0.00 C ATOM 1209 CG LEU A 83 -16.195 19.400 -2.328 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.896 20.718 -2.620 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.579 18.350 -3.361 1.00 0.00 C ATOM 0 H LEU A 83 -15.143 19.096 0.102 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.881 17.615 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.467 20.583 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.311 19.581 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.516 19.051 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.974 20.560 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.647 21.442 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.569 21.097 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.662 18.226 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.244 18.670 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.107 17.401 -3.108 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.700 19.043 -2.427 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.315 19.472 -2.383 1.00 0.00 C ATOM 1225 C GLY A 84 -9.352 18.310 -2.243 1.00 0.00 C ATOM 1226 O GLY A 84 -9.754 17.201 -1.894 1.00 0.00 O ATOM 0 H GLY A 84 -12.033 18.762 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.081 20.027 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.177 20.157 -1.547 1.00 0.00 H new ATOM 1230 N ASN A 85 -8.077 18.564 -2.519 1.00 0.00 N ATOM 1231 CA ASN A 85 -7.054 17.529 -2.425 1.00 0.00 C ATOM 1232 C ASN A 85 -6.879 17.066 -0.981 1.00 0.00 C ATOM 1233 O ASN A 85 -7.172 17.806 -0.041 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.722 18.048 -2.970 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.908 19.046 -4.096 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -6.521 20.098 -3.913 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.378 18.720 -5.270 1.00 0.00 N ATOM 0 H ASN A 85 -7.728 19.477 -2.809 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.378 16.678 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.160 18.516 -2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.127 17.208 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.471 19.352 -6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.878 17.837 -5.376 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.399 15.839 -0.813 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.186 15.277 0.516 1.00 0.00 C ATOM 1246 C PHE A 86 -5.099 14.205 0.485 1.00 0.00 C ATOM 1247 O PHE A 86 -5.158 13.271 -0.314 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.488 14.683 1.057 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.921 13.436 0.341 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.309 12.221 0.605 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.942 13.478 -0.596 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.705 11.073 -0.054 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.343 12.332 -1.257 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.724 11.128 -0.984 1.00 0.00 C ATOM 0 H PHE A 86 -6.150 15.214 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.861 16.082 1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.363 14.459 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.278 15.430 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.514 12.171 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.430 14.417 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -7.218 10.133 0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.139 12.378 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.037 10.231 -1.497 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.109 14.350 1.360 1.00 0.00 N ATOM 1265 CA GLU A 87 -3.009 13.396 1.432 1.00 0.00 C ATOM 1266 C GLU A 87 -2.900 12.794 2.830 1.00 0.00 C ATOM 1267 O GLU A 87 -2.660 13.505 3.805 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.690 14.074 1.053 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.656 13.118 0.482 1.00 0.00 C ATOM 1270 CD GLU A 87 -0.760 11.726 1.074 1.00 0.00 C ATOM 1271 OE1 GLU A 87 -0.192 11.501 2.163 1.00 0.00 O ATOM 1272 OE2 GLU A 87 -1.408 10.862 0.448 1.00 0.00 O ATOM 0 H GLU A 87 -4.046 15.118 2.028 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.213 12.593 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.891 14.857 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.275 14.560 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.779 13.059 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.342 13.514 0.668 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.081 11.480 2.918 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.005 10.784 4.197 1.00 0.00 C ATOM 1281 C GLU A 88 -2.007 9.631 4.131 1.00 0.00 C ATOM 1282 O GLU A 88 -1.611 9.203 3.048 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.384 10.256 4.598 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.468 11.321 4.598 1.00 0.00 C ATOM 1285 CD GLU A 88 -5.410 12.213 5.823 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -5.071 11.702 6.911 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -5.704 13.419 5.694 1.00 0.00 O ATOM 0 H GLU A 88 -3.281 10.877 2.120 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.663 11.495 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.671 9.458 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.320 9.815 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.370 11.934 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.445 10.840 4.550 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.605 9.136 5.297 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.652 8.035 5.371 1.00 0.00 C ATOM 1296 C GLU A 89 -1.172 6.926 6.282 1.00 0.00 C ATOM 1297 O GLU A 89 -1.469 7.159 7.454 1.00 0.00 O ATOM 1298 CB GLU A 89 0.701 8.536 5.879 1.00 0.00 C ATOM 1299 CG GLU A 89 1.188 9.793 5.178 1.00 0.00 C ATOM 1300 CD GLU A 89 0.679 11.061 5.835 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -0.504 11.403 5.626 1.00 0.00 O ATOM 1302 OE2 GLU A 89 1.463 11.711 6.557 1.00 0.00 O ATOM 0 H GLU A 89 -1.924 9.480 6.203 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.527 7.628 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.628 8.732 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.443 7.748 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.278 9.803 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.865 9.773 4.137 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.279 5.720 5.735 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.764 4.575 6.497 1.00 0.00 C ATOM 1311 C PHE A 90 -0.620 3.625 6.838 1.00 0.00 C ATOM 1312 O PHE A 90 0.330 3.477 6.068 1.00 0.00 O ATOM 1313 CB PHE A 90 -2.842 3.830 5.707 1.00 0.00 C ATOM 1314 CG PHE A 90 -3.989 4.704 5.286 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -5.046 4.945 6.148 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -4.009 5.285 4.029 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -6.103 5.748 5.763 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -5.063 6.090 3.638 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.111 6.322 4.507 1.00 0.00 C ATOM 0 H PHE A 90 -1.036 5.510 4.767 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.195 4.945 7.427 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.390 3.386 4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.225 3.010 6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -5.044 4.500 7.132 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.192 5.107 3.346 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.922 5.926 6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.067 6.537 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.935 6.951 4.205 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.717 2.985 7.998 1.00 0.00 N ATOM 1330 CA LEU A 91 0.310 2.049 8.444 1.00 0.00 C ATOM 1331 C LEU A 91 -0.301 0.694 8.788 1.00 0.00 C ATOM 1332 O LEU A 91 -1.461 0.609 9.191 1.00 0.00 O ATOM 1333 CB LEU A 91 1.048 2.612 9.659 1.00 0.00 C ATOM 1334 CG LEU A 91 1.927 3.837 9.403 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.601 4.289 10.689 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.965 3.534 8.332 1.00 0.00 C ATOM 0 H LEU A 91 -1.496 3.097 8.647 1.00 0.00 H new ATOM 0 HA LEU A 91 1.020 1.910 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.311 2.871 10.419 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.673 1.823 10.077 1.00 0.00 H new ATOM 0 HG LEU A 91 1.292 4.648 9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.222 5.162 10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.841 4.547 11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.223 3.482 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.582 4.417 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.596 2.708 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.462 3.260 7.405 1.00 0.00 H new ATOM 1348 N VAL A 92 0.489 -0.363 8.628 1.00 0.00 N ATOM 1349 CA VAL A 92 0.028 -1.714 8.925 1.00 0.00 C ATOM 1350 C VAL A 92 0.800 -2.314 10.095 1.00 0.00 C ATOM 1351 O VAL A 92 2.000 -2.568 9.994 1.00 0.00 O ATOM 1352 CB VAL A 92 0.171 -2.638 7.702 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.232 -4.061 8.056 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.658 -2.114 6.539 1.00 0.00 C ATOM 0 H VAL A 92 1.451 -0.310 8.294 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.026 -1.637 9.191 1.00 0.00 H new ATOM 0 HB VAL A 92 1.218 -2.648 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.124 -4.699 7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.409 -4.432 8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.270 -4.073 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.545 -2.779 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.708 -2.072 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.316 -1.115 6.270 1.00 0.00 H new ATOM 1364 N ASN A 93 0.104 -2.537 11.205 1.00 0.00 N ATOM 1365 CA ASN A 93 0.725 -3.108 12.395 1.00 0.00 C ATOM 1366 C ASN A 93 1.025 -4.590 12.194 1.00 0.00 C ATOM 1367 O ASN A 93 0.176 -5.348 11.724 1.00 0.00 O ATOM 1368 CB ASN A 93 -0.185 -2.920 13.610 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.857 -1.560 13.625 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.361 -0.618 14.242 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.991 -1.453 12.943 1.00 0.00 N ATOM 0 H ASN A 93 -0.890 -2.331 11.305 1.00 0.00 H new ATOM 0 HA ASN A 93 1.666 -2.586 12.570 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.947 -3.699 13.613 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.400 -3.043 14.521 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.488 -0.563 12.916 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.365 -2.261 12.446 1.00 0.00 H new ATOM 1378 N VAL A 94 2.238 -4.997 12.555 1.00 0.00 N ATOM 1379 CA VAL A 94 2.650 -6.389 12.417 1.00 0.00 C ATOM 1380 C VAL A 94 3.116 -6.959 13.752 1.00 0.00 C ATOM 1381 O VAL A 94 3.501 -6.217 14.654 1.00 0.00 O ATOM 1382 CB VAL A 94 3.782 -6.539 11.383 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.370 -7.941 11.435 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.273 -6.217 9.986 1.00 0.00 C ATOM 0 H VAL A 94 2.952 -4.382 12.945 1.00 0.00 H new ATOM 0 HA VAL A 94 1.778 -6.945 12.073 1.00 0.00 H new ATOM 0 HB VAL A 94 4.572 -5.830 11.629 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.168 -8.028 10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.773 -8.130 12.430 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.591 -8.671 11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.086 -6.328 9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.464 -6.900 9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.904 -5.192 9.961 1.00 0.00 H new ATOM 1394 N ASN A 95 3.079 -8.282 13.869 1.00 0.00 N ATOM 1395 CA ASN A 95 3.498 -8.953 15.094 1.00 0.00 C ATOM 1396 C ASN A 95 4.960 -9.380 15.008 1.00 0.00 C ATOM 1397 O ASN A 95 5.265 -10.526 14.677 1.00 0.00 O ATOM 1398 CB ASN A 95 2.614 -10.173 15.361 1.00 0.00 C ATOM 1399 CG ASN A 95 2.952 -10.857 16.671 1.00 0.00 C ATOM 1400 OD1 ASN A 95 2.979 -10.223 17.726 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.212 -12.158 16.610 1.00 0.00 N ATOM 0 H ASN A 95 2.763 -8.911 13.131 1.00 0.00 H new ATOM 0 HA ASN A 95 3.391 -8.248 15.919 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.569 -9.865 15.375 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.726 -10.885 14.543 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.446 -12.672 17.460 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.178 -12.643 15.714 1.00 0.00 H new ATOM 1408 N GLY A 96 5.862 -8.451 15.309 1.00 0.00 N ATOM 1409 CA GLY A 96 7.281 -8.750 15.260 1.00 0.00 C ATOM 1410 C GLY A 96 7.993 -8.002 14.150 1.00 0.00 C ATOM 1411 O GLY A 96 8.813 -8.576 13.433 1.00 0.00 O ATOM 0 H GLY A 96 5.635 -7.496 15.586 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.736 -8.494 16.217 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.419 -9.822 15.118 1.00 0.00 H new ATOM 1415 N SER A 97 7.679 -6.719 14.006 1.00 0.00 N ATOM 1416 CA SER A 97 8.290 -5.893 12.972 1.00 0.00 C ATOM 1417 C SER A 97 8.672 -4.523 13.526 1.00 0.00 C ATOM 1418 O SER A 97 7.963 -3.936 14.343 1.00 0.00 O ATOM 1419 CB SER A 97 7.335 -5.729 11.789 1.00 0.00 C ATOM 1420 OG SER A 97 8.011 -5.215 10.654 1.00 0.00 O ATOM 0 H SER A 97 7.004 -6.229 14.593 1.00 0.00 H new ATOM 0 HA SER A 97 9.196 -6.393 12.631 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.886 -6.692 11.544 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.521 -5.059 12.065 1.00 0.00 H new ATOM 0 HG SER A 97 7.699 -4.304 10.472 1.00 0.00 H new ATOM 1426 N PRO A 98 9.820 -4.001 13.070 1.00 0.00 N ATOM 1427 CA PRO A 98 10.323 -2.694 13.505 1.00 0.00 C ATOM 1428 C PRO A 98 9.475 -1.542 12.978 1.00 0.00 C ATOM 1429 O PRO A 98 9.118 -0.631 13.723 1.00 0.00 O ATOM 1430 CB PRO A 98 11.731 -2.640 12.908 1.00 0.00 C ATOM 1431 CG PRO A 98 11.678 -3.549 11.729 1.00 0.00 C ATOM 1432 CD PRO A 98 10.716 -4.645 12.095 1.00 0.00 C ATOM 0 HA PRO A 98 10.301 -2.589 14.590 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.997 -1.625 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.479 -2.970 13.629 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.342 -3.016 10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.664 -3.954 11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.169 -5.007 11.224 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.230 -5.503 12.528 1.00 0.00 H new ATOM 1440 N GLU A 99 9.156 -1.590 11.688 1.00 0.00 N ATOM 1441 CA GLU A 99 8.350 -0.548 11.062 1.00 0.00 C ATOM 1442 C GLU A 99 7.219 -1.157 10.239 1.00 0.00 C ATOM 1443 O GLU A 99 7.411 -2.108 9.481 1.00 0.00 O ATOM 1444 CB GLU A 99 9.224 0.338 10.171 1.00 0.00 C ATOM 1445 CG GLU A 99 8.437 1.362 9.372 1.00 0.00 C ATOM 1446 CD GLU A 99 8.138 2.618 10.168 1.00 0.00 C ATOM 1447 OE1 GLU A 99 8.721 2.781 11.260 1.00 0.00 O ATOM 1448 OE2 GLU A 99 7.321 3.438 9.699 1.00 0.00 O ATOM 0 H GLU A 99 9.443 -2.338 11.057 1.00 0.00 H new ATOM 0 HA GLU A 99 7.914 0.063 11.852 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.953 0.857 10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.785 -0.294 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.999 1.629 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.500 0.916 9.039 1.00 0.00 H new ATOM 1455 N PRO A 100 6.010 -0.596 10.390 1.00 0.00 N ATOM 1456 CA PRO A 100 4.823 -1.067 9.670 1.00 0.00 C ATOM 1457 C PRO A 100 4.889 -0.756 8.179 1.00 0.00 C ATOM 1458 O PRO A 100 5.788 -0.051 7.720 1.00 0.00 O ATOM 1459 CB PRO A 100 3.678 -0.293 10.328 1.00 0.00 C ATOM 1460 CG PRO A 100 4.317 0.939 10.869 1.00 0.00 C ATOM 1461 CD PRO A 100 5.708 0.540 11.276 1.00 0.00 C ATOM 0 HA PRO A 100 4.713 -2.150 9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.898 -0.050 9.606 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.209 -0.877 11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.342 1.728 10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.758 1.327 11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.417 1.357 11.138 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.753 0.253 12.327 1.00 0.00 H new ATOM 1469 N VAL A 101 3.930 -1.285 7.425 1.00 0.00 N ATOM 1470 CA VAL A 101 3.878 -1.062 5.985 1.00 0.00 C ATOM 1471 C VAL A 101 3.130 0.225 5.655 1.00 0.00 C ATOM 1472 O VAL A 101 1.918 0.213 5.438 1.00 0.00 O ATOM 1473 CB VAL A 101 3.199 -2.238 5.259 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.233 -2.028 3.753 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.865 -3.553 5.637 1.00 0.00 C ATOM 0 H VAL A 101 3.178 -1.871 7.788 1.00 0.00 H new ATOM 0 HA VAL A 101 4.909 -0.979 5.640 1.00 0.00 H new ATOM 0 HB VAL A 101 2.156 -2.282 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.749 -2.869 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.707 -1.107 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.268 -1.957 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.373 -4.373 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.917 -3.522 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.783 -3.706 6.713 1.00 0.00 H new ATOM 1485 N LYS A 102 3.860 1.334 5.618 1.00 0.00 N ATOM 1486 CA LYS A 102 3.267 2.631 5.312 1.00 0.00 C ATOM 1487 C LYS A 102 2.817 2.694 3.856 1.00 0.00 C ATOM 1488 O LYS A 102 3.523 2.233 2.957 1.00 0.00 O ATOM 1489 CB LYS A 102 4.268 3.752 5.597 1.00 0.00 C ATOM 1490 CG LYS A 102 3.676 5.145 5.466 1.00 0.00 C ATOM 1491 CD LYS A 102 4.359 6.132 6.397 1.00 0.00 C ATOM 1492 CE LYS A 102 5.698 6.589 5.838 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.719 5.507 5.888 1.00 0.00 N ATOM 0 H LYS A 102 4.864 1.361 5.796 1.00 0.00 H new ATOM 0 HA LYS A 102 2.393 2.762 5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.663 3.628 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.110 3.658 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.774 5.488 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.610 5.111 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.713 6.997 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.509 5.670 7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.568 6.918 4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.053 7.450 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.650 5.918 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.465 4.824 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.756 5.022 4.969 1.00 0.00 H new ATOM 1507 N LEU A 103 1.641 3.267 3.629 1.00 0.00 N ATOM 1508 CA LEU A 103 1.098 3.392 2.280 1.00 0.00 C ATOM 1509 C LEU A 103 0.444 4.756 2.081 1.00 0.00 C ATOM 1510 O LEU A 103 -0.562 5.074 2.717 1.00 0.00 O ATOM 1511 CB LEU A 103 0.080 2.282 2.014 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.755 2.427 0.742 1.00 0.00 C ATOM 1513 CD1 LEU A 103 0.028 1.942 -0.469 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.065 1.664 0.873 1.00 0.00 C ATOM 0 H LEU A 103 1.044 3.653 4.361 1.00 0.00 H new ATOM 0 HA LEU A 103 1.922 3.298 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.612 1.332 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.598 2.227 2.865 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.986 3.483 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.582 2.053 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.938 2.533 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.290 0.892 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.646 1.779 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.856 0.607 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.633 2.058 1.715 1.00 0.00 H new ATOM 1526 N THR A 104 1.019 5.558 1.191 1.00 0.00 N ATOM 1527 CA THR A 104 0.492 6.887 0.906 1.00 0.00 C ATOM 1528 C THR A 104 -0.553 6.837 -0.202 1.00 0.00 C ATOM 1529 O THR A 104 -0.348 6.198 -1.234 1.00 0.00 O ATOM 1530 CB THR A 104 1.614 7.860 0.496 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.725 7.731 1.389 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.113 9.296 0.503 1.00 0.00 C ATOM 0 H THR A 104 1.850 5.310 0.655 1.00 0.00 H new ATOM 0 HA THR A 104 0.027 7.247 1.824 1.00 0.00 H new ATOM 0 HB THR A 104 1.932 7.608 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.434 8.352 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.922 9.965 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.287 9.396 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.771 9.557 1.504 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.674 7.516 0.018 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.751 7.551 -0.963 1.00 0.00 C ATOM 1542 C ILE A 105 -3.143 8.985 -1.299 1.00 0.00 C ATOM 1543 O ILE A 105 -3.642 9.719 -0.445 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.995 6.794 -0.461 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.669 5.314 -0.253 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.146 6.956 -1.443 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.788 4.535 0.403 1.00 0.00 C ATOM 0 H ILE A 105 -1.860 8.049 0.867 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.375 7.060 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.298 7.218 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.439 4.862 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.771 5.231 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.018 6.415 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.391 8.013 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.855 6.556 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.487 3.494 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.003 4.962 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.681 4.587 -0.219 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.916 9.378 -2.548 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.247 10.726 -2.997 1.00 0.00 C ATOM 1561 C ARG A 106 -4.516 10.721 -3.843 1.00 0.00 C ATOM 1562 O ARG A 106 -4.682 9.882 -4.728 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.087 11.317 -3.801 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.019 10.810 -5.233 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.855 11.433 -5.989 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.150 12.796 -6.421 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.376 13.487 -7.251 1.00 0.00 C ATOM 1568 NH1 ARG A 106 0.732 12.945 -7.736 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -0.712 14.723 -7.599 1.00 0.00 N ATOM 0 H ARG A 106 -2.505 8.783 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.422 11.343 -2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.180 12.403 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.150 11.083 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.915 9.725 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.953 11.040 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.030 11.438 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.618 10.820 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.996 13.242 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.993 11.995 -7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.324 13.478 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.565 15.143 -7.229 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.117 15.253 -8.236 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.412 11.663 -3.564 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.655 11.749 -4.308 1.00 0.00 C ATOM 1585 C GLY A 107 -7.310 13.111 -4.187 1.00 0.00 C ATOM 1586 O GLY A 107 -7.149 13.797 -3.177 1.00 0.00 O ATOM 0 H GLY A 107 -5.299 12.368 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.461 11.534 -5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.344 10.985 -3.948 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.047 13.504 -5.219 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.727 14.795 -5.225 1.00 0.00 C ATOM 1592 C CYS A 108 -10.240 14.613 -5.286 1.00 0.00 C ATOM 1593 O CYS A 108 -10.766 14.008 -6.220 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.255 15.638 -6.411 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.485 16.008 -6.395 1.00 0.00 S ATOM 0 H CYS A 108 -8.189 12.948 -6.062 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.479 15.312 -4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.497 15.113 -7.335 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.811 16.575 -6.421 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.182 16.723 -7.437 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.935 15.138 -4.282 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.388 15.033 -4.220 1.00 0.00 C ATOM 1603 C VAL A 109 -13.054 16.213 -4.919 1.00 0.00 C ATOM 1604 O VAL A 109 -12.801 17.370 -4.582 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.884 14.966 -2.764 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.396 14.799 -2.722 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.194 13.834 -2.018 1.00 0.00 C ATOM 0 H VAL A 109 -10.515 15.641 -3.500 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.661 14.110 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.632 15.904 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.728 14.754 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.870 15.646 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.675 13.877 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.556 13.801 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.413 12.887 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.117 14.002 -2.018 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.906 15.913 -5.893 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.611 16.949 -6.638 1.00 0.00 C ATOM 1619 C ILE A 110 -16.101 16.641 -6.732 1.00 0.00 C ATOM 1620 O ILE A 110 -16.516 15.488 -6.622 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.040 17.107 -8.060 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.062 15.764 -8.794 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.625 17.662 -8.003 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.132 15.900 -10.299 1.00 0.00 C ATOM 0 H ILE A 110 -14.125 14.961 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.469 17.882 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.664 17.811 -8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.168 15.200 -8.529 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.918 15.184 -8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.235 17.768 -9.015 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.636 18.636 -7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.989 16.980 -7.439 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.144 14.909 -10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.040 16.437 -10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.262 16.452 -10.655 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.903 17.682 -6.938 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.339 17.502 -7.046 1.00 0.00 C ATOM 1638 C GLY A 111 -18.943 18.318 -8.172 1.00 0.00 C ATOM 1639 O GLY A 111 -18.237 18.851 -9.028 1.00 0.00 O ATOM 0 H GLY A 111 -16.584 18.646 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.559 16.447 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.809 17.784 -6.104 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.280 18.422 -8.181 1.00 0.00 N ATOM 1644 CA PRO A 112 -21.008 19.176 -9.206 1.00 0.00 C ATOM 1645 C PRO A 112 -20.794 20.680 -9.080 1.00 0.00 C ATOM 1646 O PRO A 112 -20.462 21.182 -8.006 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.472 18.819 -8.936 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.512 18.450 -7.493 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.184 17.812 -7.192 1.00 0.00 C ATOM 0 HA PRO A 112 -20.673 18.925 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.130 19.661 -9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.800 17.992 -9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.673 19.330 -6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.331 17.761 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.861 18.018 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.225 16.728 -7.300 1.00 0.00 H new TER 1657 PRO A 112