USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 831 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 95 SER OG : rot 134:sc= 1.35 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.51 K(o=2.9,f=-0.12!) USER MOD Set 2.1: A 59 ASN : amide:sc= 1.58 K(o=2.6,f=-5.8!) USER MOD Set 2.2: A 62 GLN : amide:sc= 1.03 K(o=2.6,f=0.68) USER MOD Set 3.1: A 8 THR OG1 : rot -42:sc= 1.47 USER MOD Set 3.2: A 11 SER OG : rot 132:sc= 1.92 USER MOD Single : A 1 SER N :NH3+ 173:sc= -0.0356 (180deg=-0.0535) USER MOD Single : A 1 SER OG : rot -65:sc= 1.12 USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= -0.0217 (180deg=-0.19) USER MOD Single : A 6 HIS : no HE2:sc= -0.155 X(o=-0.16,f=-0.6) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= -0.0246 (180deg=-0.184) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 169:sc= 0 (180deg=-0.149) USER MOD Single : A 49 TYR OH : rot -138:sc= 0.258 USER MOD Single : A 50 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc=-0.00183 (180deg=-0.0325) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.811 (180deg=0.733) USER MOD Single : A 63 ASN : amide:sc= 1.26 K(o=1.3,f=-5!) USER MOD Single : A 66 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= -0.303 (180deg=-0.654) USER MOD Single : A 70 TYR OH : rot -118:sc= 0.468 USER MOD Single : A 77 THR OG1 : rot 127:sc= 1.2 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0.888 (180deg=0.862) USER MOD Single : A 83 ASN : amide:sc= 0.976 K(o=0.98,f=-0.092) USER MOD Single : A 89 THR OG1 : rot 20:sc= 0.646 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 1.31 (180deg=1.13) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0.676 (180deg=0.596) USER MOD Single : A 106 ASN : amide:sc= 1.18 K(o=1.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.017 -10.836 2.389 1.00 0.00 N ATOM 2 CA SER A 1 8.641 -9.434 2.343 1.00 0.00 C ATOM 3 C SER A 1 7.400 -9.174 1.488 1.00 0.00 C ATOM 4 O SER A 1 6.950 -8.035 1.390 1.00 0.00 O ATOM 5 CB SER A 1 9.848 -8.625 1.863 1.00 0.00 C ATOM 6 OG SER A 1 10.923 -8.846 2.759 1.00 0.00 O ATOM 0 H1 SER A 1 9.927 -10.935 2.882 1.00 0.00 H new ATOM 0 H2 SER A 1 8.287 -11.375 2.898 1.00 0.00 H new ATOM 0 H3 SER A 1 9.106 -11.203 1.420 1.00 0.00 H new ATOM 0 HA SER A 1 8.359 -9.116 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.128 -8.926 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.601 -7.564 1.822 1.00 0.00 H new ATOM 0 HG SER A 1 10.695 -8.481 3.639 1.00 0.00 H new ATOM 12 N ASP A 2 6.821 -10.214 0.879 1.00 0.00 N ATOM 13 CA ASP A 2 5.611 -10.051 0.088 1.00 0.00 C ATOM 14 C ASP A 2 4.422 -9.835 1.024 1.00 0.00 C ATOM 15 O ASP A 2 3.761 -10.791 1.421 1.00 0.00 O ATOM 16 CB ASP A 2 5.388 -11.243 -0.850 1.00 0.00 C ATOM 17 CG ASP A 2 4.129 -11.081 -1.709 1.00 0.00 C ATOM 18 OD1 ASP A 2 3.490 -10.007 -1.629 1.00 0.00 O ATOM 19 OD2 ASP A 2 3.828 -12.044 -2.446 1.00 0.00 O ATOM 0 H ASP A 2 7.173 -11.170 0.922 1.00 0.00 H new ATOM 0 HA ASP A 2 5.718 -9.174 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.256 -11.358 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.308 -12.156 -0.260 1.00 0.00 H new ATOM 24 N LYS A 3 4.142 -8.572 1.342 1.00 0.00 N ATOM 25 CA LYS A 3 3.013 -8.159 2.162 1.00 0.00 C ATOM 26 C LYS A 3 2.066 -7.362 1.260 1.00 0.00 C ATOM 27 O LYS A 3 1.493 -6.360 1.680 1.00 0.00 O ATOM 28 CB LYS A 3 3.517 -7.317 3.346 1.00 0.00 C ATOM 29 CG LYS A 3 4.639 -7.966 4.173 1.00 0.00 C ATOM 30 CD LYS A 3 4.235 -9.255 4.903 1.00 0.00 C ATOM 31 CE LYS A 3 3.239 -9.011 6.045 1.00 0.00 C ATOM 32 NZ LYS A 3 3.803 -8.150 7.102 1.00 0.00 N ATOM 0 H LYS A 3 4.713 -7.788 1.025 1.00 0.00 H new ATOM 0 HA LYS A 3 2.483 -9.015 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.873 -6.360 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.676 -7.105 4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.478 -8.186 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.994 -7.244 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.795 -9.949 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.128 -9.734 5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.337 -8.549 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.943 -9.967 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.194 -8.189 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.757 -8.483 7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.857 -7.170 6.759 1.00 0.00 H new ATOM 46 N ILE A 4 1.946 -7.789 -0.003 1.00 0.00 N ATOM 47 CA ILE A 4 1.170 -7.103 -1.022 1.00 0.00 C ATOM 48 C ILE A 4 -0.187 -7.768 -1.234 1.00 0.00 C ATOM 49 O ILE A 4 -0.283 -8.994 -1.291 1.00 0.00 O ATOM 50 CB ILE A 4 1.980 -7.041 -2.328 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.302 -6.298 -2.065 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.160 -6.353 -3.422 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.032 -5.884 -3.344 1.00 0.00 C ATOM 0 H ILE A 4 2.397 -8.638 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 4 0.969 -6.086 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 4 2.210 -8.049 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.098 -5.409 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.957 -6.936 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.742 -6.314 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.242 -6.915 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.911 -5.340 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.955 -5.365 -3.085 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.267 -6.771 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.395 -5.220 -3.928 1.00 0.00 H new ATOM 65 N ILE A 5 -1.230 -6.947 -1.380 1.00 0.00 N ATOM 66 CA ILE A 5 -2.592 -7.411 -1.617 1.00 0.00 C ATOM 67 C ILE A 5 -2.884 -7.472 -3.113 1.00 0.00 C ATOM 68 O ILE A 5 -2.844 -6.466 -3.813 1.00 0.00 O ATOM 69 CB ILE A 5 -3.602 -6.523 -0.865 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.248 -6.338 0.623 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.029 -7.068 -1.020 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.119 -7.644 1.413 1.00 0.00 C ATOM 0 H ILE A 5 -1.148 -5.931 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.695 -8.423 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.548 -5.536 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.308 -5.791 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.013 -5.719 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.725 -6.425 -0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.298 -7.088 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.079 -8.078 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.868 -7.419 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.064 -8.186 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.332 -8.258 0.975 1.00 0.00 H new ATOM 84 N HIS A 6 -3.182 -8.674 -3.601 1.00 0.00 N ATOM 85 CA HIS A 6 -3.470 -8.939 -4.996 1.00 0.00 C ATOM 86 C HIS A 6 -4.958 -8.728 -5.252 1.00 0.00 C ATOM 87 O HIS A 6 -5.778 -9.571 -4.896 1.00 0.00 O ATOM 88 CB HIS A 6 -2.938 -10.340 -5.312 1.00 0.00 C ATOM 89 CG HIS A 6 -1.436 -10.352 -5.148 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.713 -10.789 -4.048 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.621 -9.525 -5.862 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.525 -10.262 -4.136 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.605 -9.506 -5.239 1.00 0.00 N ATOM 0 H HIS A 6 -3.229 -9.508 -3.016 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.971 -8.251 -5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.394 -11.073 -4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.207 -10.623 -6.330 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.056 -11.399 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.890 -8.982 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.325 -10.424 -3.429 1.00 0.00 H new ATOM 102 N LEU A 7 -5.296 -7.575 -5.833 1.00 0.00 N ATOM 103 CA LEU A 7 -6.661 -7.149 -6.085 1.00 0.00 C ATOM 104 C LEU A 7 -7.190 -7.643 -7.424 1.00 0.00 C ATOM 105 O LEU A 7 -6.440 -8.068 -8.303 1.00 0.00 O ATOM 106 CB LEU A 7 -6.696 -5.616 -6.127 1.00 0.00 C ATOM 107 CG LEU A 7 -6.228 -4.925 -4.845 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.120 -3.430 -5.146 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.221 -5.147 -3.704 1.00 0.00 C ATOM 0 H LEU A 7 -4.602 -6.897 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.280 -7.563 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.073 -5.276 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.715 -5.296 -6.343 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.269 -5.338 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.788 -2.902 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.401 -3.272 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.095 -3.049 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.862 -4.644 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.193 -4.740 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.317 -6.215 -3.508 1.00 0.00 H new ATOM 121 N THR A 8 -8.504 -7.486 -7.586 1.00 0.00 N ATOM 122 CA THR A 8 -9.247 -7.723 -8.802 1.00 0.00 C ATOM 123 C THR A 8 -10.197 -6.537 -8.958 1.00 0.00 C ATOM 124 O THR A 8 -10.464 -5.839 -7.977 1.00 0.00 O ATOM 125 CB THR A 8 -10.029 -9.045 -8.733 1.00 0.00 C ATOM 126 OG1 THR A 8 -11.040 -8.987 -7.739 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.104 -10.230 -8.442 1.00 0.00 C ATOM 0 H THR A 8 -9.103 -7.172 -6.822 1.00 0.00 H new ATOM 0 HA THR A 8 -8.576 -7.811 -9.656 1.00 0.00 H new ATOM 0 HB THR A 8 -10.491 -9.191 -9.709 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.686 -8.549 -6.937 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.691 -11.148 -8.400 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.358 -10.312 -9.232 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.604 -10.075 -7.486 1.00 0.00 H new ATOM 135 N ASP A 9 -10.736 -6.312 -10.159 1.00 0.00 N ATOM 136 CA ASP A 9 -11.704 -5.241 -10.383 1.00 0.00 C ATOM 137 C ASP A 9 -12.859 -5.385 -9.382 1.00 0.00 C ATOM 138 O ASP A 9 -13.294 -4.412 -8.774 1.00 0.00 O ATOM 139 CB ASP A 9 -12.207 -5.291 -11.831 1.00 0.00 C ATOM 140 CG ASP A 9 -13.223 -4.188 -12.113 1.00 0.00 C ATOM 141 OD1 ASP A 9 -14.420 -4.439 -11.854 1.00 0.00 O ATOM 142 OD2 ASP A 9 -12.788 -3.117 -12.591 1.00 0.00 O ATOM 0 H ASP A 9 -10.516 -6.860 -10.991 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.232 -4.271 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.363 -5.191 -12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.661 -6.263 -12.025 1.00 0.00 H new ATOM 147 N ASP A 10 -13.322 -6.625 -9.208 1.00 0.00 N ATOM 148 CA ASP A 10 -14.408 -6.992 -8.310 1.00 0.00 C ATOM 149 C ASP A 10 -14.088 -6.650 -6.853 1.00 0.00 C ATOM 150 O ASP A 10 -14.931 -6.095 -6.153 1.00 0.00 O ATOM 151 CB ASP A 10 -14.705 -8.493 -8.440 1.00 0.00 C ATOM 152 CG ASP A 10 -14.955 -8.915 -9.885 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.945 -9.023 -10.614 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.139 -9.115 -10.229 1.00 0.00 O ATOM 0 H ASP A 10 -12.935 -7.425 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.286 -6.414 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.867 -9.062 -8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.578 -8.741 -7.836 1.00 0.00 H new ATOM 159 N SER A 11 -12.883 -6.986 -6.380 1.00 0.00 N ATOM 160 CA SER A 11 -12.524 -6.754 -4.982 1.00 0.00 C ATOM 161 C SER A 11 -12.165 -5.288 -4.732 1.00 0.00 C ATOM 162 O SER A 11 -12.306 -4.808 -3.608 1.00 0.00 O ATOM 163 CB SER A 11 -11.373 -7.678 -4.573 1.00 0.00 C ATOM 164 OG SER A 11 -10.299 -7.589 -5.489 1.00 0.00 O ATOM 0 H SER A 11 -12.147 -7.416 -6.941 1.00 0.00 H new ATOM 0 HA SER A 11 -13.393 -6.984 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.026 -7.412 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.729 -8.707 -4.524 1.00 0.00 H new ATOM 0 HG SER A 11 -9.459 -7.474 -4.998 1.00 0.00 H new ATOM 170 N PHE A 12 -11.698 -4.590 -5.770 1.00 0.00 N ATOM 171 CA PHE A 12 -11.287 -3.196 -5.740 1.00 0.00 C ATOM 172 C PHE A 12 -12.139 -2.325 -4.814 1.00 0.00 C ATOM 173 O PHE A 12 -11.608 -1.644 -3.943 1.00 0.00 O ATOM 174 CB PHE A 12 -11.300 -2.626 -7.164 1.00 0.00 C ATOM 175 CG PHE A 12 -10.383 -1.439 -7.327 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.771 -0.166 -6.869 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.070 -1.652 -7.777 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.838 0.884 -6.855 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.178 -0.576 -7.876 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.555 0.689 -7.399 1.00 0.00 C ATOM 0 H PHE A 12 -11.594 -5.007 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.277 -3.174 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.005 -3.406 -7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.317 -2.332 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.782 0.003 -6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.747 -2.647 -8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.105 1.839 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.203 -0.720 -8.318 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.860 1.514 -7.450 1.00 0.00 H new ATOM 190 N ASP A 13 -13.461 -2.332 -4.995 1.00 0.00 N ATOM 191 CA ASP A 13 -14.358 -1.530 -4.173 1.00 0.00 C ATOM 192 C ASP A 13 -14.157 -1.835 -2.686 1.00 0.00 C ATOM 193 O ASP A 13 -13.798 -0.962 -1.898 1.00 0.00 O ATOM 194 CB ASP A 13 -15.811 -1.793 -4.596 1.00 0.00 C ATOM 195 CG ASP A 13 -16.802 -1.161 -3.622 1.00 0.00 C ATOM 196 OD1 ASP A 13 -17.078 0.045 -3.788 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.250 -1.893 -2.711 1.00 0.00 O ATOM 0 H ASP A 13 -13.932 -2.888 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.130 -0.475 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.978 -1.393 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.987 -2.867 -4.649 1.00 0.00 H new ATOM 202 N THR A 14 -14.416 -3.078 -2.294 1.00 0.00 N ATOM 203 CA THR A 14 -14.340 -3.508 -0.913 1.00 0.00 C ATOM 204 C THR A 14 -12.949 -3.301 -0.313 1.00 0.00 C ATOM 205 O THR A 14 -12.832 -2.922 0.847 1.00 0.00 O ATOM 206 CB THR A 14 -14.775 -4.976 -0.856 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.847 -5.173 -1.760 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.213 -5.389 0.551 1.00 0.00 C ATOM 0 H THR A 14 -14.688 -3.820 -2.939 1.00 0.00 H new ATOM 0 HA THR A 14 -15.006 -2.897 -0.304 1.00 0.00 H new ATOM 0 HB THR A 14 -13.920 -5.594 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.131 -6.111 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.513 -6.437 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.384 -5.253 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.055 -4.772 0.866 1.00 0.00 H new ATOM 216 N ASP A 15 -11.896 -3.577 -1.081 1.00 0.00 N ATOM 217 CA ASP A 15 -10.529 -3.485 -0.594 1.00 0.00 C ATOM 218 C ASP A 15 -10.000 -2.051 -0.610 1.00 0.00 C ATOM 219 O ASP A 15 -9.560 -1.536 0.413 1.00 0.00 O ATOM 220 CB ASP A 15 -9.621 -4.386 -1.439 1.00 0.00 C ATOM 221 CG ASP A 15 -9.804 -5.873 -1.138 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.958 -6.345 -1.223 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.775 -6.519 -0.839 1.00 0.00 O ATOM 0 H ASP A 15 -11.971 -3.870 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.527 -3.817 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.823 -4.208 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.581 -4.111 -1.263 1.00 0.00 H new ATOM 228 N VAL A 16 -9.991 -1.423 -1.787 1.00 0.00 N ATOM 229 CA VAL A 16 -9.407 -0.110 -2.000 1.00 0.00 C ATOM 230 C VAL A 16 -10.334 1.014 -1.560 1.00 0.00 C ATOM 231 O VAL A 16 -9.923 1.896 -0.812 1.00 0.00 O ATOM 232 CB VAL A 16 -9.001 0.059 -3.472 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.250 1.378 -3.669 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.112 -1.094 -3.944 1.00 0.00 C ATOM 0 H VAL A 16 -10.399 -1.826 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.515 -0.044 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.917 0.061 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.969 1.484 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.893 2.209 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.353 1.382 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.844 -0.942 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.207 -1.127 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.652 -2.035 -3.841 1.00 0.00 H new ATOM 244 N LEU A 17 -11.582 1.022 -2.032 1.00 0.00 N ATOM 245 CA LEU A 17 -12.471 2.124 -1.684 1.00 0.00 C ATOM 246 C LEU A 17 -12.742 2.177 -0.176 1.00 0.00 C ATOM 247 O LEU A 17 -12.974 3.255 0.362 1.00 0.00 O ATOM 248 CB LEU A 17 -13.704 2.180 -2.590 1.00 0.00 C ATOM 249 CG LEU A 17 -13.335 2.373 -4.077 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.616 2.528 -4.901 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.447 3.599 -4.330 1.00 0.00 C ATOM 0 H LEU A 17 -11.986 0.305 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.960 3.064 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.276 1.259 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.350 2.998 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.769 1.490 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.359 2.664 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.230 1.634 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.173 3.396 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.226 3.675 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.967 4.499 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.516 3.495 -3.773 1.00 0.00 H new ATOM 263 N LYS A 18 -12.643 1.039 0.519 1.00 0.00 N ATOM 264 CA LYS A 18 -12.726 0.985 1.980 1.00 0.00 C ATOM 265 C LYS A 18 -11.315 0.814 2.579 1.00 0.00 C ATOM 266 O LYS A 18 -11.145 0.089 3.556 1.00 0.00 O ATOM 267 CB LYS A 18 -13.669 -0.147 2.429 1.00 0.00 C ATOM 268 CG LYS A 18 -14.905 -0.349 1.540 1.00 0.00 C ATOM 269 CD LYS A 18 -15.824 0.879 1.515 1.00 0.00 C ATOM 270 CE LYS A 18 -16.970 0.685 0.516 1.00 0.00 C ATOM 271 NZ LYS A 18 -16.479 0.668 -0.876 1.00 0.00 N ATOM 0 H LYS A 18 -12.503 0.128 0.082 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.142 1.923 2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.105 -1.079 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.001 0.058 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.583 -0.577 0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.468 -1.211 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.230 1.054 2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.248 1.764 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.487 -0.250 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.698 1.487 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.282 0.774 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.811 1.453 -1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.998 -0.235 -1.063 1.00 0.00 H new ATOM 285 N ALA A 19 -10.292 1.438 1.972 1.00 0.00 N ATOM 286 CA ALA A 19 -8.894 1.287 2.367 1.00 0.00 C ATOM 287 C ALA A 19 -8.616 1.340 3.867 1.00 0.00 C ATOM 288 O ALA A 19 -9.087 2.229 4.576 1.00 0.00 O ATOM 289 CB ALA A 19 -8.009 2.337 1.684 1.00 0.00 C ATOM 0 H ALA A 19 -10.422 2.070 1.182 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.651 0.276 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.974 2.200 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.079 2.224 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.344 3.335 1.967 1.00 0.00 H new ATOM 295 N ASP A 20 -7.760 0.416 4.321 1.00 0.00 N ATOM 296 CA ASP A 20 -7.279 0.351 5.690 1.00 0.00 C ATOM 297 C ASP A 20 -6.289 1.495 5.918 1.00 0.00 C ATOM 298 O ASP A 20 -5.073 1.304 5.919 1.00 0.00 O ATOM 299 CB ASP A 20 -6.637 -1.021 5.951 1.00 0.00 C ATOM 300 CG ASP A 20 -6.079 -1.137 7.368 1.00 0.00 C ATOM 301 OD1 ASP A 20 -6.665 -0.502 8.271 1.00 0.00 O ATOM 302 OD2 ASP A 20 -5.083 -1.876 7.527 1.00 0.00 O ATOM 0 H ASP A 20 -7.379 -0.320 3.726 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.105 0.464 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.378 -1.804 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.835 -1.188 5.232 1.00 0.00 H new ATOM 307 N GLY A 21 -6.818 2.708 6.063 1.00 0.00 N ATOM 308 CA GLY A 21 -6.025 3.904 6.274 1.00 0.00 C ATOM 309 C GLY A 21 -5.366 4.357 4.974 1.00 0.00 C ATOM 310 O GLY A 21 -5.807 5.340 4.381 1.00 0.00 O ATOM 0 H GLY A 21 -7.822 2.884 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.659 4.701 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.260 3.710 7.026 1.00 0.00 H new ATOM 314 N ALA A 22 -4.318 3.657 4.527 1.00 0.00 N ATOM 315 CA ALA A 22 -3.581 4.014 3.324 1.00 0.00 C ATOM 316 C ALA A 22 -3.303 2.764 2.497 1.00 0.00 C ATOM 317 O ALA A 22 -2.654 1.838 2.986 1.00 0.00 O ATOM 318 CB ALA A 22 -2.283 4.714 3.730 1.00 0.00 C ATOM 0 H ALA A 22 -3.961 2.825 4.996 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.169 4.695 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.722 4.987 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.517 5.613 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.684 4.042 4.344 1.00 0.00 H new ATOM 324 N ILE A 23 -3.775 2.749 1.248 1.00 0.00 N ATOM 325 CA ILE A 23 -3.559 1.661 0.300 1.00 0.00 C ATOM 326 C ILE A 23 -2.794 2.209 -0.901 1.00 0.00 C ATOM 327 O ILE A 23 -3.178 3.239 -1.446 1.00 0.00 O ATOM 328 CB ILE A 23 -4.892 0.982 -0.091 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.177 -0.172 0.881 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.880 0.445 -1.529 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.496 -0.894 0.615 1.00 0.00 C ATOM 0 H ILE A 23 -4.331 3.512 0.862 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.959 0.876 0.760 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.674 1.739 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.361 -0.893 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.186 0.217 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.840 -0.022 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.707 1.267 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.085 -0.293 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.625 -1.695 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.322 -0.188 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.484 -1.315 -0.390 1.00 0.00 H new ATOM 343 N LEU A 24 -1.732 1.518 -1.326 1.00 0.00 N ATOM 344 CA LEU A 24 -0.927 1.898 -2.482 1.00 0.00 C ATOM 345 C LEU A 24 -1.155 0.850 -3.566 1.00 0.00 C ATOM 346 O LEU A 24 -0.580 -0.233 -3.490 1.00 0.00 O ATOM 347 CB LEU A 24 0.540 2.030 -2.050 1.00 0.00 C ATOM 348 CG LEU A 24 1.530 2.566 -3.100 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.051 1.496 -4.063 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.972 3.743 -3.900 1.00 0.00 C ATOM 0 H LEU A 24 -1.406 0.667 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.213 2.867 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.580 2.686 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.888 1.049 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 24 2.374 2.916 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.743 1.951 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.568 0.719 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.214 1.055 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.716 4.076 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.069 3.431 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.732 4.562 -3.222 1.00 0.00 H new ATOM 362 N VAL A 25 -1.997 1.153 -4.560 1.00 0.00 N ATOM 363 CA VAL A 25 -2.318 0.218 -5.632 1.00 0.00 C ATOM 364 C VAL A 25 -1.351 0.381 -6.798 1.00 0.00 C ATOM 365 O VAL A 25 -1.336 1.432 -7.441 1.00 0.00 O ATOM 366 CB VAL A 25 -3.755 0.395 -6.147 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.068 -0.699 -7.178 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.785 0.318 -5.021 1.00 0.00 C ATOM 0 H VAL A 25 -2.472 2.052 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.225 -0.782 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.819 1.385 -6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.087 -0.574 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.371 -0.622 -8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.968 -1.679 -6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.785 0.449 -5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.718 -0.654 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.587 1.104 -4.293 1.00 0.00 H new ATOM 378 N ASP A 26 -0.595 -0.678 -7.091 1.00 0.00 N ATOM 379 CA ASP A 26 0.307 -0.765 -8.222 1.00 0.00 C ATOM 380 C ASP A 26 -0.398 -1.503 -9.362 1.00 0.00 C ATOM 381 O ASP A 26 -0.591 -2.718 -9.297 1.00 0.00 O ATOM 382 CB ASP A 26 1.591 -1.494 -7.815 1.00 0.00 C ATOM 383 CG ASP A 26 2.398 -1.893 -9.045 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.867 -3.022 -9.150 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.547 -0.973 -10.032 1.00 0.00 O ATOM 0 H ASP A 26 -0.600 -1.525 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 26 0.580 0.236 -8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.192 -0.851 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.342 -2.382 -7.234 1.00 0.00 H new ATOM 391 N PHE A 27 -0.746 -0.781 -10.421 1.00 0.00 N ATOM 392 CA PHE A 27 -1.358 -1.368 -11.603 1.00 0.00 C ATOM 393 C PHE A 27 -0.219 -1.932 -12.456 1.00 0.00 C ATOM 394 O PHE A 27 0.715 -1.189 -12.768 1.00 0.00 O ATOM 395 CB PHE A 27 -2.167 -0.297 -12.342 1.00 0.00 C ATOM 396 CG PHE A 27 -3.407 0.164 -11.591 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.297 1.040 -10.494 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.680 -0.290 -11.984 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.447 1.455 -9.802 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.832 0.157 -11.315 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.718 1.035 -10.226 1.00 0.00 C ATOM 0 H PHE A 27 -0.611 0.228 -10.482 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.054 -2.170 -11.355 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.526 0.564 -12.529 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.467 -0.688 -13.314 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.325 1.394 -10.184 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.772 -0.986 -12.805 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.353 2.100 -8.941 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.807 -0.176 -11.639 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.603 1.386 -9.717 1.00 0.00 H new ATOM 411 N TRP A 28 -0.261 -3.228 -12.798 1.00 0.00 N ATOM 412 CA TRP A 28 0.817 -3.878 -13.542 1.00 0.00 C ATOM 413 C TRP A 28 0.318 -4.903 -14.568 1.00 0.00 C ATOM 414 O TRP A 28 -0.868 -5.235 -14.611 1.00 0.00 O ATOM 415 CB TRP A 28 1.789 -4.535 -12.550 1.00 0.00 C ATOM 416 CG TRP A 28 1.284 -5.766 -11.860 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.403 -5.797 -10.837 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.601 -7.160 -12.153 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.122 -7.107 -10.510 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.806 -7.992 -11.313 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.494 -7.806 -13.032 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.844 -9.393 -11.387 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.570 -9.209 -13.085 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.711 -10.002 -12.308 1.00 0.00 C ATOM 0 H TRP A 28 -1.038 -3.847 -12.567 1.00 0.00 H new ATOM 0 HA TRP A 28 1.327 -3.106 -14.118 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.705 -4.790 -13.083 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.056 -3.800 -11.791 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.017 -4.929 -10.350 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.515 -7.386 -9.764 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.129 -7.214 -13.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.216 -9.993 -10.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.296 -9.681 -13.730 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.717 -11.076 -12.418 1.00 0.00 H new ATOM 435 N ALA A 29 1.248 -5.420 -15.381 1.00 0.00 N ATOM 436 CA ALA A 29 1.004 -6.425 -16.408 1.00 0.00 C ATOM 437 C ALA A 29 2.152 -7.430 -16.445 1.00 0.00 C ATOM 438 O ALA A 29 3.295 -7.057 -16.194 1.00 0.00 O ATOM 439 CB ALA A 29 0.851 -5.759 -17.774 1.00 0.00 C ATOM 0 H ALA A 29 2.226 -5.135 -15.335 1.00 0.00 H new ATOM 0 HA ALA A 29 0.080 -6.951 -16.167 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.669 -6.521 -18.532 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.011 -5.065 -17.748 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.764 -5.215 -18.018 1.00 0.00 H new ATOM 445 N GLU A 30 1.870 -8.691 -16.783 1.00 0.00 N ATOM 446 CA GLU A 30 2.882 -9.745 -16.859 1.00 0.00 C ATOM 447 C GLU A 30 4.041 -9.364 -17.789 1.00 0.00 C ATOM 448 O GLU A 30 5.190 -9.705 -17.529 1.00 0.00 O ATOM 449 CB GLU A 30 2.242 -11.072 -17.294 1.00 0.00 C ATOM 450 CG GLU A 30 1.356 -11.724 -16.218 1.00 0.00 C ATOM 451 CD GLU A 30 0.076 -10.961 -15.889 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.425 -10.263 -16.801 1.00 0.00 O ATOM 453 OE2 GLU A 30 -0.379 -11.086 -14.732 1.00 0.00 O ATOM 0 H GLU A 30 0.929 -9.010 -17.012 1.00 0.00 H new ATOM 0 HA GLU A 30 3.302 -9.870 -15.861 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.642 -10.898 -18.187 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.032 -11.770 -17.571 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.088 -12.728 -16.548 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.941 -11.834 -15.305 1.00 0.00 H new ATOM 460 N TRP A 31 3.735 -8.655 -18.874 1.00 0.00 N ATOM 461 CA TRP A 31 4.714 -8.205 -19.855 1.00 0.00 C ATOM 462 C TRP A 31 5.383 -6.882 -19.449 1.00 0.00 C ATOM 463 O TRP A 31 6.312 -6.428 -20.115 1.00 0.00 O ATOM 464 CB TRP A 31 4.014 -8.096 -21.218 1.00 0.00 C ATOM 465 CG TRP A 31 2.686 -7.399 -21.214 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.483 -8.013 -21.127 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.400 -5.968 -21.260 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.481 -7.070 -21.123 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.985 -5.790 -21.210 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.190 -4.799 -21.326 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.384 -4.522 -21.231 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.598 -3.522 -21.344 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.200 -3.382 -21.305 1.00 0.00 C ATOM 0 H TRP A 31 2.781 -8.373 -19.098 1.00 0.00 H new ATOM 0 HA TRP A 31 5.523 -8.933 -19.914 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.677 -7.571 -21.905 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.875 -9.101 -21.616 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.332 -9.081 -21.069 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.513 -7.291 -21.063 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.266 -4.886 -21.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.691 -4.425 -21.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.223 -2.642 -21.388 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.754 -2.399 -21.332 1.00 0.00 H new ATOM 484 N CYS A 32 4.941 -6.247 -18.359 1.00 0.00 N ATOM 485 CA CYS A 32 5.503 -4.981 -17.919 1.00 0.00 C ATOM 486 C CYS A 32 6.815 -5.204 -17.165 1.00 0.00 C ATOM 487 O CYS A 32 6.852 -5.221 -15.934 1.00 0.00 O ATOM 488 CB CYS A 32 4.495 -4.234 -17.052 1.00 0.00 C ATOM 489 SG CYS A 32 5.092 -2.661 -16.406 1.00 0.00 S ATOM 0 H CYS A 32 4.189 -6.598 -17.766 1.00 0.00 H new ATOM 0 HA CYS A 32 5.722 -4.372 -18.796 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.593 -4.054 -17.637 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.210 -4.872 -16.215 1.00 0.00 H new ATOM 494 N GLY A 33 7.903 -5.366 -17.921 1.00 0.00 N ATOM 495 CA GLY A 33 9.251 -5.530 -17.385 1.00 0.00 C ATOM 496 C GLY A 33 9.522 -4.579 -16.209 1.00 0.00 C ATOM 497 O GLY A 33 9.834 -5.043 -15.116 1.00 0.00 O ATOM 0 H GLY A 33 7.869 -5.387 -18.940 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.388 -6.560 -17.057 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.980 -5.347 -18.175 1.00 0.00 H new ATOM 501 N PRO A 34 9.389 -3.254 -16.394 1.00 0.00 N ATOM 502 CA PRO A 34 9.591 -2.277 -15.332 1.00 0.00 C ATOM 503 C PRO A 34 8.735 -2.545 -14.084 1.00 0.00 C ATOM 504 O PRO A 34 9.181 -2.307 -12.964 1.00 0.00 O ATOM 505 CB PRO A 34 9.260 -0.917 -15.956 1.00 0.00 C ATOM 506 CG PRO A 34 9.513 -1.140 -17.446 1.00 0.00 C ATOM 507 CD PRO A 34 9.056 -2.585 -17.641 1.00 0.00 C ATOM 0 HA PRO A 34 10.617 -2.325 -14.967 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.227 -0.627 -15.763 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.894 -0.126 -15.555 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.943 -0.446 -18.064 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.564 -1.007 -17.704 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.986 -2.637 -17.844 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.564 -3.049 -18.486 1.00 0.00 H new ATOM 515 N CYS A 35 7.514 -3.064 -14.254 1.00 0.00 N ATOM 516 CA CYS A 35 6.644 -3.378 -13.128 1.00 0.00 C ATOM 517 C CYS A 35 7.295 -4.506 -12.335 1.00 0.00 C ATOM 518 O CYS A 35 7.458 -4.420 -11.118 1.00 0.00 O ATOM 519 CB CYS A 35 5.228 -3.797 -13.542 1.00 0.00 C ATOM 520 SG CYS A 35 4.221 -2.649 -14.519 1.00 0.00 S ATOM 0 H CYS A 35 7.110 -3.274 -15.167 1.00 0.00 H new ATOM 0 HA CYS A 35 6.530 -2.471 -12.534 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.312 -4.725 -14.108 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.674 -4.028 -12.632 1.00 0.00 H new ATOM 525 N LYS A 36 7.698 -5.561 -13.046 1.00 0.00 N ATOM 526 CA LYS A 36 8.386 -6.692 -12.440 1.00 0.00 C ATOM 527 C LYS A 36 9.672 -6.210 -11.765 1.00 0.00 C ATOM 528 O LYS A 36 9.995 -6.661 -10.670 1.00 0.00 O ATOM 529 CB LYS A 36 8.647 -7.774 -13.491 1.00 0.00 C ATOM 530 CG LYS A 36 7.323 -8.386 -13.966 1.00 0.00 C ATOM 531 CD LYS A 36 7.494 -9.218 -15.239 1.00 0.00 C ATOM 532 CE LYS A 36 8.515 -10.350 -15.086 1.00 0.00 C ATOM 533 NZ LYS A 36 8.542 -11.200 -16.290 1.00 0.00 N ATOM 0 H LYS A 36 7.556 -5.651 -14.052 1.00 0.00 H new ATOM 0 HA LYS A 36 7.759 -7.140 -11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.182 -7.346 -14.339 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.285 -8.552 -13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.911 -9.014 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.602 -7.590 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.530 -9.642 -15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.805 -8.564 -16.054 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.505 -9.930 -14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.265 -10.955 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.241 -11.960 -16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.601 -11.617 -16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.803 -10.624 -17.116 1.00 0.00 H new ATOM 547 N MET A 37 10.394 -5.279 -12.395 1.00 0.00 N ATOM 548 CA MET A 37 11.607 -4.702 -11.840 1.00 0.00 C ATOM 549 C MET A 37 11.315 -4.041 -10.488 1.00 0.00 C ATOM 550 O MET A 37 12.054 -4.265 -9.531 1.00 0.00 O ATOM 551 CB MET A 37 12.222 -3.713 -12.838 1.00 0.00 C ATOM 552 CG MET A 37 13.628 -3.275 -12.413 1.00 0.00 C ATOM 553 SD MET A 37 14.442 -2.087 -13.515 1.00 0.00 S ATOM 554 CE MET A 37 13.376 -0.641 -13.313 1.00 0.00 C ATOM 0 H MET A 37 10.145 -4.906 -13.311 1.00 0.00 H new ATOM 0 HA MET A 37 12.335 -5.494 -11.664 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.268 -4.174 -13.825 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.579 -2.837 -12.925 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.568 -2.837 -11.417 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.257 -4.161 -12.334 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.850 0.227 -13.770 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.416 -0.826 -13.796 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.218 -0.451 -12.251 1.00 0.00 H new ATOM 564 N ILE A 38 10.258 -3.222 -10.392 1.00 0.00 N ATOM 565 CA ILE A 38 9.934 -2.575 -9.123 1.00 0.00 C ATOM 566 C ILE A 38 9.280 -3.534 -8.121 1.00 0.00 C ATOM 567 O ILE A 38 9.370 -3.284 -6.924 1.00 0.00 O ATOM 568 CB ILE A 38 9.145 -1.262 -9.283 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.720 -1.484 -9.808 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.922 -0.271 -10.158 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.855 -0.226 -9.697 1.00 0.00 C ATOM 0 H ILE A 38 9.628 -2.998 -11.162 1.00 0.00 H new ATOM 0 HA ILE A 38 10.894 -2.286 -8.696 1.00 0.00 H new ATOM 0 HB ILE A 38 9.034 -0.830 -8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.765 -1.800 -10.850 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.252 -2.294 -9.249 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.349 0.651 -10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.883 -0.051 -9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.086 -0.707 -11.143 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.857 -0.436 -10.081 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.785 0.077 -8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.306 0.578 -10.278 1.00 0.00 H new ATOM 583 N ALA A 39 8.618 -4.611 -8.563 1.00 0.00 N ATOM 584 CA ALA A 39 7.960 -5.581 -7.682 1.00 0.00 C ATOM 585 C ALA A 39 8.713 -5.869 -6.365 1.00 0.00 C ATOM 586 O ALA A 39 8.136 -5.637 -5.303 1.00 0.00 O ATOM 587 CB ALA A 39 7.595 -6.860 -8.440 1.00 0.00 C ATOM 0 H ALA A 39 8.524 -4.835 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 39 7.035 -5.103 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.109 -7.560 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.916 -6.617 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.500 -7.315 -8.843 1.00 0.00 H new ATOM 593 N PRO A 40 9.978 -6.334 -6.377 1.00 0.00 N ATOM 594 CA PRO A 40 10.735 -6.558 -5.151 1.00 0.00 C ATOM 595 C PRO A 40 10.813 -5.288 -4.299 1.00 0.00 C ATOM 596 O PRO A 40 10.642 -5.350 -3.085 1.00 0.00 O ATOM 597 CB PRO A 40 12.121 -7.051 -5.581 1.00 0.00 C ATOM 598 CG PRO A 40 12.244 -6.568 -7.026 1.00 0.00 C ATOM 599 CD PRO A 40 10.806 -6.656 -7.527 1.00 0.00 C ATOM 0 HA PRO A 40 10.246 -7.299 -4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.907 -6.635 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.199 -8.136 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.632 -5.551 -7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.916 -7.198 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.631 -5.957 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.582 -7.653 -7.906 1.00 0.00 H new ATOM 607 N ILE A 41 11.010 -4.120 -4.922 1.00 0.00 N ATOM 608 CA ILE A 41 11.024 -2.856 -4.199 1.00 0.00 C ATOM 609 C ILE A 41 9.672 -2.701 -3.498 1.00 0.00 C ATOM 610 O ILE A 41 9.635 -2.448 -2.299 1.00 0.00 O ATOM 611 CB ILE A 41 11.346 -1.655 -5.114 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.624 -1.897 -5.938 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.501 -0.396 -4.252 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.948 -0.739 -6.888 1.00 0.00 C ATOM 0 H ILE A 41 11.162 -4.031 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 41 11.825 -2.869 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 41 10.524 -1.525 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.464 -2.050 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.509 -2.814 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.729 0.457 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.573 -0.208 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.312 -0.541 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.859 -0.967 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.123 -0.600 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.093 0.175 -6.312 1.00 0.00 H new ATOM 626 N LEU A 42 8.565 -2.885 -4.226 1.00 0.00 N ATOM 627 CA LEU A 42 7.230 -2.802 -3.637 1.00 0.00 C ATOM 628 C LEU A 42 7.103 -3.773 -2.460 1.00 0.00 C ATOM 629 O LEU A 42 6.550 -3.405 -1.429 1.00 0.00 O ATOM 630 CB LEU A 42 6.119 -3.054 -4.666 1.00 0.00 C ATOM 631 CG LEU A 42 6.154 -2.132 -5.896 1.00 0.00 C ATOM 632 CD1 LEU A 42 4.989 -2.486 -6.823 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.054 -0.654 -5.505 1.00 0.00 C ATOM 0 H LEU A 42 8.571 -3.092 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 42 7.103 -1.782 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.184 -4.088 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.154 -2.940 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 42 7.108 -2.282 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.009 -1.835 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.080 -3.524 -7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.047 -2.351 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.082 -0.037 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.117 -0.480 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.891 -0.391 -4.858 1.00 0.00 H new ATOM 645 N ASP A 43 7.615 -5.000 -2.593 1.00 0.00 N ATOM 646 CA ASP A 43 7.572 -5.978 -1.508 1.00 0.00 C ATOM 647 C ASP A 43 8.318 -5.426 -0.290 1.00 0.00 C ATOM 648 O ASP A 43 7.768 -5.350 0.807 1.00 0.00 O ATOM 649 CB ASP A 43 8.147 -7.334 -1.947 1.00 0.00 C ATOM 650 CG ASP A 43 7.332 -8.005 -3.049 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.111 -8.169 -2.840 1.00 0.00 O ATOM 652 OD2 ASP A 43 7.946 -8.369 -4.076 1.00 0.00 O ATOM 0 H ASP A 43 8.064 -5.338 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 43 6.531 -6.150 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.170 -7.192 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.194 -7.998 -1.084 1.00 0.00 H new ATOM 657 N GLU A 44 9.571 -5.006 -0.475 1.00 0.00 N ATOM 658 CA GLU A 44 10.363 -4.438 0.606 1.00 0.00 C ATOM 659 C GLU A 44 9.623 -3.260 1.248 1.00 0.00 C ATOM 660 O GLU A 44 9.527 -3.191 2.469 1.00 0.00 O ATOM 661 CB GLU A 44 11.765 -4.048 0.120 1.00 0.00 C ATOM 662 CG GLU A 44 12.739 -5.237 0.153 1.00 0.00 C ATOM 663 CD GLU A 44 12.452 -6.311 -0.895 1.00 0.00 C ATOM 664 OE1 GLU A 44 11.569 -7.153 -0.627 1.00 0.00 O ATOM 665 OE2 GLU A 44 13.149 -6.283 -1.936 1.00 0.00 O ATOM 0 H GLU A 44 10.057 -5.051 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 44 10.499 -5.198 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.701 -3.660 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.154 -3.244 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.753 -4.865 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.705 -5.693 1.143 1.00 0.00 H new ATOM 672 N ILE A 45 9.065 -2.356 0.443 1.00 0.00 N ATOM 673 CA ILE A 45 8.281 -1.232 0.935 1.00 0.00 C ATOM 674 C ILE A 45 7.117 -1.749 1.785 1.00 0.00 C ATOM 675 O ILE A 45 6.898 -1.270 2.896 1.00 0.00 O ATOM 676 CB ILE A 45 7.798 -0.387 -0.255 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.957 0.350 -0.949 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.675 0.589 0.116 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.542 1.533 -0.179 1.00 0.00 C ATOM 0 H ILE A 45 9.147 -2.386 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 45 8.893 -0.592 1.571 1.00 0.00 H new ATOM 0 HB ILE A 45 7.377 -1.098 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.756 -0.366 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.609 0.707 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.379 1.155 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.818 0.031 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.029 1.275 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.351 1.979 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.764 2.277 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.929 1.188 0.780 1.00 0.00 H new ATOM 691 N ALA A 46 6.374 -2.734 1.271 1.00 0.00 N ATOM 692 CA ALA A 46 5.249 -3.340 1.967 1.00 0.00 C ATOM 693 C ALA A 46 5.693 -3.872 3.327 1.00 0.00 C ATOM 694 O ALA A 46 5.000 -3.687 4.322 1.00 0.00 O ATOM 695 CB ALA A 46 4.631 -4.442 1.102 1.00 0.00 C ATOM 0 H ALA A 46 6.544 -3.134 0.348 1.00 0.00 H new ATOM 0 HA ALA A 46 4.483 -2.584 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.790 -4.890 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.283 -4.014 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.380 -5.207 0.897 1.00 0.00 H new ATOM 701 N ASP A 47 6.860 -4.518 3.372 1.00 0.00 N ATOM 702 CA ASP A 47 7.435 -5.033 4.604 1.00 0.00 C ATOM 703 C ASP A 47 7.746 -3.865 5.551 1.00 0.00 C ATOM 704 O ASP A 47 7.247 -3.824 6.675 1.00 0.00 O ATOM 705 CB ASP A 47 8.669 -5.873 4.244 1.00 0.00 C ATOM 706 CG ASP A 47 9.249 -6.687 5.394 1.00 0.00 C ATOM 707 OD1 ASP A 47 9.044 -6.291 6.562 1.00 0.00 O ATOM 708 OD2 ASP A 47 9.908 -7.701 5.076 1.00 0.00 O ATOM 0 H ASP A 47 7.432 -4.697 2.546 1.00 0.00 H new ATOM 0 HA ASP A 47 6.738 -5.681 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.404 -6.553 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.444 -5.209 3.861 1.00 0.00 H new ATOM 713 N GLU A 48 8.553 -2.904 5.090 1.00 0.00 N ATOM 714 CA GLU A 48 8.959 -1.723 5.840 1.00 0.00 C ATOM 715 C GLU A 48 7.765 -1.007 6.473 1.00 0.00 C ATOM 716 O GLU A 48 7.780 -0.694 7.661 1.00 0.00 O ATOM 717 CB GLU A 48 9.720 -0.766 4.908 1.00 0.00 C ATOM 718 CG GLU A 48 11.125 -1.281 4.570 1.00 0.00 C ATOM 719 CD GLU A 48 11.802 -0.439 3.492 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.507 -0.681 2.302 1.00 0.00 O ATOM 721 OE2 GLU A 48 12.611 0.432 3.876 1.00 0.00 O ATOM 0 H GLU A 48 8.952 -2.933 4.152 1.00 0.00 H new ATOM 0 HA GLU A 48 9.609 -2.045 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.153 -0.631 3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.798 0.213 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.738 -1.277 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.060 -2.316 4.233 1.00 0.00 H new ATOM 728 N TYR A 49 6.746 -0.727 5.664 1.00 0.00 N ATOM 729 CA TYR A 49 5.553 -0.006 6.084 1.00 0.00 C ATOM 730 C TYR A 49 4.393 -0.947 6.445 1.00 0.00 C ATOM 731 O TYR A 49 3.236 -0.523 6.396 1.00 0.00 O ATOM 732 CB TYR A 49 5.153 0.979 4.978 1.00 0.00 C ATOM 733 CG TYR A 49 6.084 2.162 4.794 1.00 0.00 C ATOM 734 CD1 TYR A 49 5.823 3.354 5.492 1.00 0.00 C ATOM 735 CD2 TYR A 49 7.122 2.126 3.843 1.00 0.00 C ATOM 736 CE1 TYR A 49 6.537 4.522 5.183 1.00 0.00 C ATOM 737 CE2 TYR A 49 7.840 3.296 3.534 1.00 0.00 C ATOM 738 CZ TYR A 49 7.510 4.508 4.173 1.00 0.00 C ATOM 739 OH TYR A 49 8.084 5.692 3.811 1.00 0.00 O ATOM 0 H TYR A 49 6.729 -1.001 4.682 1.00 0.00 H new ATOM 0 HA TYR A 49 5.784 0.543 6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.093 0.436 4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.153 1.355 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.072 3.371 6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.368 1.197 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.337 5.435 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.641 3.265 2.810 1.00 0.00 H new ATOM 0 HH TYR A 49 8.161 5.733 2.835 1.00 0.00 H new ATOM 749 N GLN A 50 4.657 -2.205 6.814 1.00 0.00 N ATOM 750 CA GLN A 50 3.581 -3.122 7.161 1.00 0.00 C ATOM 751 C GLN A 50 2.700 -2.522 8.262 1.00 0.00 C ATOM 752 O GLN A 50 3.203 -2.033 9.271 1.00 0.00 O ATOM 753 CB GLN A 50 4.147 -4.498 7.530 1.00 0.00 C ATOM 754 CG GLN A 50 4.942 -4.519 8.841 1.00 0.00 C ATOM 755 CD GLN A 50 5.650 -5.858 9.011 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.156 -6.750 9.693 1.00 0.00 O ATOM 757 NE2 GLN A 50 6.798 -6.016 8.368 1.00 0.00 N ATOM 0 H GLN A 50 5.595 -2.602 6.878 1.00 0.00 H new ATOM 0 HA GLN A 50 2.939 -3.271 6.293 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.324 -5.209 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.792 -4.842 6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.673 -3.711 8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.272 -4.345 9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.179 -5.252 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.300 -6.901 8.431 1.00 0.00 H new ATOM 766 N GLY A 51 1.381 -2.505 8.048 1.00 0.00 N ATOM 767 CA GLY A 51 0.435 -1.930 8.997 1.00 0.00 C ATOM 768 C GLY A 51 0.299 -0.409 8.871 1.00 0.00 C ATOM 769 O GLY A 51 -0.677 0.149 9.364 1.00 0.00 O ATOM 0 H GLY A 51 0.943 -2.890 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.542 -2.389 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.752 -2.177 10.010 1.00 0.00 H new ATOM 773 N LYS A 52 1.246 0.268 8.210 1.00 0.00 N ATOM 774 CA LYS A 52 1.222 1.712 8.009 1.00 0.00 C ATOM 775 C LYS A 52 0.701 2.020 6.604 1.00 0.00 C ATOM 776 O LYS A 52 -0.096 2.938 6.421 1.00 0.00 O ATOM 777 CB LYS A 52 2.630 2.297 8.190 1.00 0.00 C ATOM 778 CG LYS A 52 3.210 1.995 9.578 1.00 0.00 C ATOM 779 CD LYS A 52 4.634 2.550 9.743 1.00 0.00 C ATOM 780 CE LYS A 52 4.747 4.071 9.564 1.00 0.00 C ATOM 781 NZ LYS A 52 3.834 4.804 10.458 1.00 0.00 N ATOM 0 H LYS A 52 2.061 -0.184 7.795 1.00 0.00 H new ATOM 0 HA LYS A 52 0.561 2.167 8.747 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.292 1.890 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.595 3.376 8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.563 2.425 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.221 0.917 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.002 2.285 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.287 2.062 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.773 4.383 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.526 4.331 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.991 5.827 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.850 4.578 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.015 4.526 11.444 1.00 0.00 H new ATOM 795 N LEU A 53 1.166 1.253 5.614 1.00 0.00 N ATOM 796 CA LEU A 53 0.798 1.390 4.218 1.00 0.00 C ATOM 797 C LEU A 53 0.497 -0.003 3.681 1.00 0.00 C ATOM 798 O LEU A 53 1.370 -0.869 3.660 1.00 0.00 O ATOM 799 CB LEU A 53 1.988 1.989 3.457 1.00 0.00 C ATOM 800 CG LEU A 53 1.688 2.300 1.985 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.021 3.672 1.859 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.005 2.300 1.209 1.00 0.00 C ATOM 0 H LEU A 53 1.831 0.497 5.777 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.071 2.037 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.302 2.906 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.827 1.295 3.508 1.00 0.00 H new ATOM 0 HG LEU A 53 1.012 1.545 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.813 3.881 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.087 3.676 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.687 4.438 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.809 2.520 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.670 3.059 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.477 1.321 1.293 1.00 0.00 H new ATOM 814 N THR A 54 -0.730 -0.219 3.221 1.00 0.00 N ATOM 815 CA THR A 54 -1.135 -1.480 2.638 1.00 0.00 C ATOM 816 C THR A 54 -0.768 -1.443 1.151 1.00 0.00 C ATOM 817 O THR A 54 -1.456 -0.812 0.349 1.00 0.00 O ATOM 818 CB THR A 54 -2.634 -1.661 2.905 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.854 -1.730 4.298 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.208 -2.925 2.263 1.00 0.00 C ATOM 0 H THR A 54 -1.470 0.482 3.245 1.00 0.00 H new ATOM 0 HA THR A 54 -0.628 -2.341 3.074 1.00 0.00 H new ATOM 0 HB THR A 54 -3.140 -0.804 2.460 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.812 -1.844 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.272 -2.996 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.068 -2.880 1.183 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.694 -3.800 2.660 1.00 0.00 H new ATOM 828 N VAL A 55 0.317 -2.112 0.757 1.00 0.00 N ATOM 829 CA VAL A 55 0.701 -2.137 -0.644 1.00 0.00 C ATOM 830 C VAL A 55 -0.205 -3.154 -1.332 1.00 0.00 C ATOM 831 O VAL A 55 -0.519 -4.208 -0.774 1.00 0.00 O ATOM 832 CB VAL A 55 2.187 -2.495 -0.792 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.604 -2.586 -2.266 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.077 -1.438 -0.131 1.00 0.00 C ATOM 0 H VAL A 55 0.933 -2.634 1.381 1.00 0.00 H new ATOM 0 HA VAL A 55 0.579 -1.158 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 55 2.316 -3.463 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.662 -2.841 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.014 -3.356 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.432 -1.626 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.124 -1.717 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.903 -0.470 -0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.838 -1.374 0.931 1.00 0.00 H new ATOM 844 N ALA A 56 -0.652 -2.834 -2.541 1.00 0.00 N ATOM 845 CA ALA A 56 -1.532 -3.678 -3.313 1.00 0.00 C ATOM 846 C ALA A 56 -1.067 -3.689 -4.761 1.00 0.00 C ATOM 847 O ALA A 56 -0.426 -2.746 -5.223 1.00 0.00 O ATOM 848 CB ALA A 56 -2.968 -3.171 -3.175 1.00 0.00 C ATOM 0 H ALA A 56 -0.404 -1.964 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.505 -4.703 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.636 -3.806 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.264 -3.198 -2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.029 -2.147 -3.543 1.00 0.00 H new ATOM 854 N LYS A 57 -1.396 -4.758 -5.476 1.00 0.00 N ATOM 855 CA LYS A 57 -1.094 -4.947 -6.876 1.00 0.00 C ATOM 856 C LYS A 57 -2.373 -5.341 -7.596 1.00 0.00 C ATOM 857 O LYS A 57 -3.198 -6.066 -7.038 1.00 0.00 O ATOM 858 CB LYS A 57 -0.050 -6.052 -7.051 1.00 0.00 C ATOM 859 CG LYS A 57 1.389 -5.543 -7.048 1.00 0.00 C ATOM 860 CD LYS A 57 2.308 -6.763 -7.210 1.00 0.00 C ATOM 861 CE LYS A 57 3.779 -6.403 -7.404 1.00 0.00 C ATOM 862 NZ LYS A 57 4.006 -5.596 -8.617 1.00 0.00 N ATOM 0 H LYS A 57 -1.902 -5.546 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.693 -4.022 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.169 -6.782 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.240 -6.573 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.547 -4.833 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.608 -5.018 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.212 -7.398 -6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.971 -7.349 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.133 -5.852 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.369 -7.318 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.028 -5.478 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.587 -6.078 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.563 -4.662 -8.501 1.00 0.00 H new ATOM 876 N LEU A 58 -2.518 -4.888 -8.842 1.00 0.00 N ATOM 877 CA LEU A 58 -3.648 -5.240 -9.682 1.00 0.00 C ATOM 878 C LEU A 58 -3.141 -5.540 -11.084 1.00 0.00 C ATOM 879 O LEU A 58 -2.483 -4.702 -11.703 1.00 0.00 O ATOM 880 CB LEU A 58 -4.695 -4.126 -9.648 1.00 0.00 C ATOM 881 CG LEU A 58 -5.937 -4.501 -10.477 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.183 -3.956 -9.786 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.874 -3.884 -11.880 1.00 0.00 C ATOM 0 H LEU A 58 -1.848 -4.264 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.143 -6.137 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.989 -3.931 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.261 -3.204 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.971 -5.587 -10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.066 -4.218 -10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.264 -4.388 -8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.110 -2.871 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.764 -4.166 -12.442 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.826 -2.798 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.987 -4.249 -12.398 1.00 0.00 H new ATOM 895 N ASN A 59 -3.443 -6.744 -11.583 1.00 0.00 N ATOM 896 CA ASN A 59 -3.044 -7.137 -12.921 1.00 0.00 C ATOM 897 C ASN A 59 -4.075 -6.627 -13.924 1.00 0.00 C ATOM 898 O ASN A 59 -5.195 -7.147 -13.978 1.00 0.00 O ATOM 899 CB ASN A 59 -2.879 -8.649 -13.058 1.00 0.00 C ATOM 900 CG ASN A 59 -2.675 -8.993 -14.531 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.364 -9.849 -15.076 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.784 -8.279 -15.211 1.00 0.00 N ATOM 0 H ASN A 59 -3.963 -7.457 -11.072 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.070 -6.692 -13.124 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.027 -8.990 -12.470 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.760 -9.161 -12.670 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.660 -8.437 -16.211 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.224 -7.573 -14.733 1.00 0.00 H new ATOM 909 N ILE A 60 -3.694 -5.631 -14.721 1.00 0.00 N ATOM 910 CA ILE A 60 -4.573 -5.023 -15.710 1.00 0.00 C ATOM 911 C ILE A 60 -5.015 -6.013 -16.790 1.00 0.00 C ATOM 912 O ILE A 60 -6.120 -5.888 -17.305 1.00 0.00 O ATOM 913 CB ILE A 60 -3.936 -3.749 -16.293 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.654 -4.021 -17.099 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.650 -2.750 -15.162 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.919 -4.059 -18.606 1.00 0.00 C ATOM 0 H ILE A 60 -2.760 -5.222 -14.696 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.489 -4.725 -15.200 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.655 -3.328 -16.995 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.918 -3.248 -16.880 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.222 -4.971 -16.783 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.199 -1.849 -15.578 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.583 -2.491 -14.661 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.965 -3.200 -14.443 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.986 -4.254 -19.135 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.635 -4.850 -18.830 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.325 -3.100 -18.928 1.00 0.00 H new ATOM 928 N ASP A 61 -4.182 -7.001 -17.146 1.00 0.00 N ATOM 929 CA ASP A 61 -4.548 -7.968 -18.181 1.00 0.00 C ATOM 930 C ASP A 61 -5.807 -8.726 -17.768 1.00 0.00 C ATOM 931 O ASP A 61 -6.776 -8.788 -18.517 1.00 0.00 O ATOM 932 CB ASP A 61 -3.407 -8.947 -18.487 1.00 0.00 C ATOM 933 CG ASP A 61 -2.132 -8.222 -18.891 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.387 -7.868 -17.953 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.927 -8.023 -20.109 1.00 0.00 O ATOM 0 H ASP A 61 -3.260 -7.148 -16.735 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.747 -7.411 -19.097 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.212 -9.563 -17.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.711 -9.621 -19.288 1.00 0.00 H new ATOM 940 N GLN A 62 -5.788 -9.304 -16.563 1.00 0.00 N ATOM 941 CA GLN A 62 -6.931 -10.032 -16.032 1.00 0.00 C ATOM 942 C GLN A 62 -8.059 -9.070 -15.649 1.00 0.00 C ATOM 943 O GLN A 62 -9.227 -9.443 -15.712 1.00 0.00 O ATOM 944 CB GLN A 62 -6.488 -10.877 -14.833 1.00 0.00 C ATOM 945 CG GLN A 62 -5.668 -12.088 -15.301 1.00 0.00 C ATOM 946 CD GLN A 62 -4.975 -12.780 -14.133 1.00 0.00 C ATOM 947 OE1 GLN A 62 -5.485 -13.747 -13.580 1.00 0.00 O ATOM 948 NE2 GLN A 62 -3.804 -12.286 -13.751 1.00 0.00 N ATOM 0 H GLN A 62 -4.983 -9.278 -15.937 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.321 -10.698 -16.802 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.893 -10.269 -14.152 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.362 -11.215 -14.277 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.322 -12.797 -15.809 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.923 -11.765 -16.028 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.409 -11.479 -14.234 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.299 -12.713 -12.974 1.00 0.00 H new ATOM 957 N ASN A 63 -7.715 -7.847 -15.235 1.00 0.00 N ATOM 958 CA ASN A 63 -8.676 -6.839 -14.788 1.00 0.00 C ATOM 959 C ASN A 63 -8.639 -5.605 -15.698 1.00 0.00 C ATOM 960 O ASN A 63 -8.165 -4.551 -15.270 1.00 0.00 O ATOM 961 CB ASN A 63 -8.353 -6.463 -13.341 1.00 0.00 C ATOM 962 CG ASN A 63 -8.339 -7.676 -12.426 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.374 -8.060 -11.885 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.170 -8.284 -12.248 1.00 0.00 N ATOM 0 H ASN A 63 -6.747 -7.527 -15.201 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.685 -7.248 -14.841 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.382 -5.969 -13.303 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.090 -5.745 -12.980 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.108 -9.103 -11.643 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.335 -7.932 -12.717 1.00 0.00 H new ATOM 971 N PRO A 64 -9.134 -5.707 -16.943 1.00 0.00 N ATOM 972 CA PRO A 64 -9.089 -4.613 -17.898 1.00 0.00 C ATOM 973 C PRO A 64 -9.872 -3.391 -17.427 1.00 0.00 C ATOM 974 O PRO A 64 -9.315 -2.300 -17.397 1.00 0.00 O ATOM 975 CB PRO A 64 -9.613 -5.184 -19.221 1.00 0.00 C ATOM 976 CG PRO A 64 -10.450 -6.391 -18.802 1.00 0.00 C ATOM 977 CD PRO A 64 -9.732 -6.888 -17.547 1.00 0.00 C ATOM 0 HA PRO A 64 -8.072 -4.240 -18.016 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.213 -4.452 -19.761 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.796 -5.476 -19.881 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.483 -6.113 -18.593 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.477 -7.154 -19.580 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.430 -7.368 -16.861 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.971 -7.627 -17.798 1.00 0.00 H new ATOM 985 N GLY A 65 -11.152 -3.564 -17.075 1.00 0.00 N ATOM 986 CA GLY A 65 -12.066 -2.501 -16.651 1.00 0.00 C ATOM 987 C GLY A 65 -11.422 -1.430 -15.767 1.00 0.00 C ATOM 988 O GLY A 65 -11.623 -0.234 -15.971 1.00 0.00 O ATOM 0 H GLY A 65 -11.594 -4.483 -17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.482 -2.022 -17.537 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.899 -2.949 -16.110 1.00 0.00 H new ATOM 992 N THR A 66 -10.647 -1.857 -14.773 1.00 0.00 N ATOM 993 CA THR A 66 -9.960 -0.987 -13.838 1.00 0.00 C ATOM 994 C THR A 66 -9.048 0.041 -14.521 1.00 0.00 C ATOM 995 O THR A 66 -8.910 1.163 -14.032 1.00 0.00 O ATOM 996 CB THR A 66 -9.189 -1.866 -12.834 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.319 -3.244 -13.152 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.741 -1.648 -11.423 1.00 0.00 C ATOM 0 H THR A 66 -10.479 -2.847 -14.596 1.00 0.00 H new ATOM 0 HA THR A 66 -10.704 -0.388 -13.313 1.00 0.00 H new ATOM 0 HB THR A 66 -8.138 -1.582 -12.885 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.790 -3.446 -13.952 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.192 -2.272 -10.717 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.627 -0.600 -11.146 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.797 -1.917 -11.400 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.422 -0.334 -15.640 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.495 0.530 -16.358 1.00 0.00 C ATOM 1008 C ALA A 67 -8.115 1.882 -16.741 1.00 0.00 C ATOM 1009 O ALA A 67 -7.674 2.896 -16.205 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.833 -0.210 -17.527 1.00 0.00 C ATOM 0 H ALA A 67 -8.548 -1.250 -16.071 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.689 0.789 -15.671 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.147 0.463 -18.042 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.281 -1.070 -17.147 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.600 -0.550 -18.224 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.121 1.961 -17.631 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.731 3.235 -17.974 1.00 0.00 C ATOM 1018 C PRO A 68 -10.315 3.917 -16.736 1.00 0.00 C ATOM 1019 O PRO A 68 -10.126 5.120 -16.571 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.792 2.934 -19.037 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.109 1.454 -18.823 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.764 0.890 -18.367 1.00 0.00 C ATOM 0 HA PRO A 68 -8.997 3.938 -18.368 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.677 3.556 -18.907 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.416 3.122 -20.043 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.885 1.310 -18.071 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.459 0.978 -19.739 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.901 0.010 -17.739 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.159 0.582 -19.220 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.999 3.169 -15.857 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.588 3.738 -14.649 1.00 0.00 C ATOM 1032 C LYS A 69 -10.573 4.574 -13.864 1.00 0.00 C ATOM 1033 O LYS A 69 -10.895 5.687 -13.453 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.216 2.648 -13.767 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.509 2.107 -14.393 1.00 0.00 C ATOM 1036 CD LYS A 69 -14.393 1.314 -13.416 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.765 0.015 -12.898 1.00 0.00 C ATOM 1038 NZ LYS A 69 -12.880 0.244 -11.742 1.00 0.00 N ATOM 0 H LYS A 69 -11.155 2.167 -15.966 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.386 4.410 -14.963 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.506 1.833 -13.630 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.429 3.054 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.085 2.942 -14.792 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.252 1.466 -15.236 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.633 1.951 -12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.335 1.075 -13.910 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.555 -0.681 -12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.197 -0.456 -13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.709 -0.657 -11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.975 0.636 -12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.331 0.915 -11.087 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.357 4.058 -13.668 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.309 4.783 -12.956 1.00 0.00 C ATOM 1054 C TYR A 70 -7.295 5.440 -13.902 1.00 0.00 C ATOM 1055 O TYR A 70 -6.169 5.718 -13.494 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.683 3.856 -11.906 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.638 3.592 -10.758 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -8.899 4.618 -9.828 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -9.427 2.429 -10.750 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -9.946 4.482 -8.901 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -10.471 2.290 -9.819 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.737 3.322 -8.902 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.749 3.196 -8.000 1.00 0.00 O ATOM 0 H TYR A 70 -9.076 3.134 -13.996 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.750 5.629 -12.428 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.404 2.912 -12.373 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.767 4.305 -11.523 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.292 5.512 -9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.231 1.640 -11.461 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.142 5.269 -8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.069 1.391 -9.808 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.580 2.421 -7.425 1.00 0.00 H new ATOM 1073 N GLY A 71 -7.693 5.732 -15.147 1.00 0.00 N ATOM 1074 CA GLY A 71 -6.860 6.412 -16.133 1.00 0.00 C ATOM 1075 C GLY A 71 -5.455 5.820 -16.260 1.00 0.00 C ATOM 1076 O GLY A 71 -4.469 6.547 -16.386 1.00 0.00 O ATOM 0 H GLY A 71 -8.621 5.496 -15.498 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.353 6.369 -17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.779 7.465 -15.863 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.354 4.490 -16.250 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.087 3.788 -16.362 1.00 0.00 C ATOM 1082 C ILE A 72 -3.638 3.821 -17.827 1.00 0.00 C ATOM 1083 O ILE A 72 -3.747 2.834 -18.552 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.212 2.364 -15.796 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.854 2.334 -14.397 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.854 1.653 -15.757 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.087 3.099 -13.317 1.00 0.00 C ATOM 0 H ILE A 72 -6.159 3.870 -16.163 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.317 4.279 -15.767 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.874 1.830 -16.478 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.861 2.746 -14.467 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.955 1.295 -14.083 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.980 0.649 -15.351 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.448 1.588 -16.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.167 2.216 -15.125 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.618 3.019 -12.368 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.088 2.675 -13.211 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.008 4.148 -13.601 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.129 4.975 -18.259 1.00 0.00 N ATOM 1100 CA ARG A 73 -2.653 5.181 -19.623 1.00 0.00 C ATOM 1101 C ARG A 73 -1.252 4.585 -19.825 1.00 0.00 C ATOM 1102 O ARG A 73 -0.737 4.590 -20.940 1.00 0.00 O ATOM 1103 CB ARG A 73 -2.638 6.683 -19.935 1.00 0.00 C ATOM 1104 CG ARG A 73 -4.048 7.287 -19.899 1.00 0.00 C ATOM 1105 CD ARG A 73 -4.001 8.778 -20.241 1.00 0.00 C ATOM 1106 NE ARG A 73 -5.345 9.368 -20.188 1.00 0.00 N ATOM 1107 CZ ARG A 73 -5.620 10.658 -20.422 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -4.639 11.509 -20.742 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -6.881 11.090 -20.332 1.00 0.00 N ATOM 0 H ARG A 73 -3.036 5.799 -17.665 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.331 4.669 -20.306 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.004 7.198 -19.213 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.198 6.845 -20.919 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.692 6.765 -20.607 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.484 7.148 -18.910 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.344 9.295 -19.542 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.578 8.914 -21.236 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.124 8.752 -19.957 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.677 11.177 -20.809 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.853 12.490 -20.919 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.627 10.439 -20.086 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.098 12.071 -20.509 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.635 4.065 -18.761 1.00 0.00 N ATOM 1124 CA GLY A 74 0.674 3.438 -18.783 1.00 0.00 C ATOM 1125 C GLY A 74 0.835 2.674 -17.474 1.00 0.00 C ATOM 1126 O GLY A 74 -0.005 2.819 -16.584 1.00 0.00 O ATOM 0 H GLY A 74 -1.054 4.073 -17.831 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.762 2.763 -19.635 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.457 4.188 -18.888 1.00 0.00 H new ATOM 1130 N ILE A 75 1.898 1.875 -17.352 1.00 0.00 N ATOM 1131 CA ILE A 75 2.211 1.076 -16.173 1.00 0.00 C ATOM 1132 C ILE A 75 3.743 0.982 -16.070 1.00 0.00 C ATOM 1133 O ILE A 75 4.402 1.059 -17.108 1.00 0.00 O ATOM 1134 CB ILE A 75 1.555 -0.317 -16.267 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.840 -0.996 -17.619 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.046 -0.241 -16.002 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.271 -2.412 -17.678 1.00 0.00 C ATOM 0 H ILE A 75 2.585 1.766 -18.098 1.00 0.00 H new ATOM 0 HA ILE A 75 1.812 1.543 -15.273 1.00 0.00 H new ATOM 0 HB ILE A 75 2.005 -0.934 -15.490 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.410 -0.398 -18.423 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.916 -1.030 -17.788 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.387 -1.239 -16.076 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.128 0.157 -15.003 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.420 0.412 -16.739 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.495 -2.854 -18.649 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.721 -3.018 -16.891 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.191 -2.376 -17.536 1.00 0.00 H new ATOM 1149 N PRO A 76 4.336 0.820 -14.872 1.00 0.00 N ATOM 1150 CA PRO A 76 3.676 0.737 -13.577 1.00 0.00 C ATOM 1151 C PRO A 76 3.081 2.091 -13.206 1.00 0.00 C ATOM 1152 O PRO A 76 3.643 3.128 -13.550 1.00 0.00 O ATOM 1153 CB PRO A 76 4.764 0.345 -12.576 1.00 0.00 C ATOM 1154 CG PRO A 76 6.045 0.882 -13.215 1.00 0.00 C ATOM 1155 CD PRO A 76 5.777 0.726 -14.711 1.00 0.00 C ATOM 0 HA PRO A 76 2.862 0.013 -13.586 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.587 0.789 -11.596 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.808 -0.735 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.225 1.922 -12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.921 0.314 -12.901 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.285 1.504 -15.281 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.149 -0.231 -15.076 1.00 0.00 H new ATOM 1163 N THR A 77 1.947 2.065 -12.511 1.00 0.00 N ATOM 1164 CA THR A 77 1.250 3.257 -12.060 1.00 0.00 C ATOM 1165 C THR A 77 0.798 2.965 -10.635 1.00 0.00 C ATOM 1166 O THR A 77 0.144 1.947 -10.398 1.00 0.00 O ATOM 1167 CB THR A 77 0.117 3.587 -13.038 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.696 4.028 -14.247 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.789 4.698 -12.515 1.00 0.00 C ATOM 0 H THR A 77 1.482 1.198 -12.243 1.00 0.00 H new ATOM 0 HA THR A 77 1.874 4.151 -12.045 1.00 0.00 H new ATOM 0 HB THR A 77 -0.487 2.690 -13.173 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.333 3.506 -14.993 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.577 4.897 -13.241 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.236 4.388 -11.570 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.202 5.603 -12.359 1.00 0.00 H new ATOM 1177 N LEU A 78 1.209 3.825 -9.699 1.00 0.00 N ATOM 1178 CA LEU A 78 1.000 3.686 -8.272 1.00 0.00 C ATOM 1179 C LEU A 78 -0.033 4.716 -7.813 1.00 0.00 C ATOM 1180 O LEU A 78 0.264 5.908 -7.846 1.00 0.00 O ATOM 1181 CB LEU A 78 2.341 3.916 -7.546 1.00 0.00 C ATOM 1182 CG LEU A 78 3.556 3.179 -8.138 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.802 3.504 -7.304 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.351 1.662 -8.155 1.00 0.00 C ATOM 0 H LEU A 78 1.720 4.675 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 78 0.632 2.687 -8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.553 4.985 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.227 3.612 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 78 3.681 3.516 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.664 2.984 -7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.983 4.579 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.645 3.181 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.232 1.181 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.198 1.304 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.477 1.420 -8.760 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.223 4.286 -7.382 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.265 5.174 -6.863 1.00 0.00 C ATOM 1198 C LEU A 79 -2.302 5.022 -5.343 1.00 0.00 C ATOM 1199 O LEU A 79 -2.511 3.911 -4.849 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.644 4.822 -7.436 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.992 5.496 -8.771 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -3.056 5.070 -9.901 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.446 5.202 -9.144 1.00 0.00 C ATOM 0 H LEU A 79 -1.491 3.302 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.034 6.198 -7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.699 3.741 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.404 5.092 -6.703 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.861 6.570 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.345 5.575 -10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.031 5.340 -9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.123 3.991 -10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.683 5.684 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.587 4.125 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.106 5.587 -8.366 1.00 0.00 H new ATOM 1215 N LEU A 80 -2.113 6.120 -4.606 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.131 6.131 -3.151 1.00 0.00 C ATOM 1217 C LEU A 80 -3.520 6.553 -2.666 1.00 0.00 C ATOM 1218 O LEU A 80 -3.842 7.740 -2.634 1.00 0.00 O ATOM 1219 CB LEU A 80 -1.001 7.032 -2.641 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.821 7.065 -1.111 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.170 5.755 -0.391 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.648 7.384 -0.820 1.00 0.00 C ATOM 0 H LEU A 80 -1.941 7.038 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.948 5.137 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.065 6.703 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.184 8.048 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.515 7.817 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.012 5.876 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.214 5.504 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.532 4.954 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.807 7.414 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.282 6.613 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.903 8.352 -1.252 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.331 5.567 -2.284 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.684 5.725 -1.781 1.00 0.00 C ATOM 1236 C PHE A 81 -5.653 5.892 -0.264 1.00 0.00 C ATOM 1237 O PHE A 81 -5.453 4.916 0.459 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.527 4.498 -2.143 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.868 4.374 -3.613 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.957 3.770 -4.499 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.142 4.754 -4.077 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.330 3.527 -5.831 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.508 4.523 -5.413 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.586 3.943 -6.298 1.00 0.00 C ATOM 0 H PHE A 81 -4.042 4.589 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.128 6.610 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.991 3.601 -1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.454 4.530 -1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.971 3.493 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.841 5.225 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.649 3.019 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.496 4.791 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.843 3.817 -7.339 1.00 0.00 H new ATOM 1254 N LYS A 82 -5.909 7.107 0.216 1.00 0.00 N ATOM 1255 CA LYS A 82 -6.037 7.408 1.630 1.00 0.00 C ATOM 1256 C LYS A 82 -7.520 7.282 1.953 1.00 0.00 C ATOM 1257 O LYS A 82 -8.328 8.065 1.461 1.00 0.00 O ATOM 1258 CB LYS A 82 -5.532 8.820 1.919 1.00 0.00 C ATOM 1259 CG LYS A 82 -4.019 8.928 1.716 1.00 0.00 C ATOM 1260 CD LYS A 82 -3.226 8.081 2.720 1.00 0.00 C ATOM 1261 CE LYS A 82 -1.805 8.626 2.893 1.00 0.00 C ATOM 1262 NZ LYS A 82 -1.801 9.891 3.655 1.00 0.00 N ATOM 0 H LYS A 82 -6.035 7.922 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.444 6.729 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.039 9.530 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.783 9.095 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.769 8.613 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.717 9.971 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.738 8.077 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.184 7.047 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.191 7.887 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.354 8.788 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.850 10.312 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.486 10.552 3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.064 9.702 4.643 1.00 0.00 H new ATOM 1276 N ASN A 83 -7.878 6.275 2.748 1.00 0.00 N ATOM 1277 CA ASN A 83 -9.258 5.970 3.120 1.00 0.00 C ATOM 1278 C ASN A 83 -10.187 6.025 1.894 1.00 0.00 C ATOM 1279 O ASN A 83 -11.262 6.622 1.933 1.00 0.00 O ATOM 1280 CB ASN A 83 -9.705 6.893 4.265 1.00 0.00 C ATOM 1281 CG ASN A 83 -10.864 6.307 5.073 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -10.694 5.951 6.233 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -12.050 6.198 4.484 1.00 0.00 N ATOM 0 H ASN A 83 -7.201 5.634 3.161 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.318 4.947 3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.861 7.078 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.004 7.857 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.841 5.812 4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -12.169 6.501 3.517 1.00 0.00 H new ATOM 1290 N GLY A 84 -9.757 5.415 0.784 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.527 5.358 -0.453 1.00 0.00 C ATOM 1292 C GLY A 84 -10.349 6.560 -1.384 1.00 0.00 C ATOM 1293 O GLY A 84 -10.746 6.482 -2.543 1.00 0.00 O ATOM 0 H GLY A 84 -8.855 4.944 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.249 4.454 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.584 5.266 -0.201 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.760 7.662 -0.917 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.555 8.862 -1.717 1.00 0.00 C ATOM 1299 C GLU A 85 -8.149 8.853 -2.322 1.00 0.00 C ATOM 1300 O GLU A 85 -7.171 8.808 -1.580 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.744 10.099 -0.830 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.125 10.116 -0.158 1.00 0.00 C ATOM 1303 CD GLU A 85 -11.324 11.393 0.653 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -11.778 12.384 0.043 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.007 11.356 1.860 1.00 0.00 O ATOM 0 H GLU A 85 -9.410 7.743 0.037 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.281 8.888 -2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.968 10.119 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.622 10.999 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.903 10.038 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.227 9.248 0.493 1.00 0.00 H new ATOM 1312 N VAL A 86 -8.033 8.908 -3.654 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.738 8.973 -4.324 1.00 0.00 C ATOM 1314 C VAL A 86 -6.043 10.275 -3.907 1.00 0.00 C ATOM 1315 O VAL A 86 -6.390 11.348 -4.397 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.911 8.881 -5.851 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.552 8.971 -6.560 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.563 7.553 -6.250 1.00 0.00 C ATOM 0 H VAL A 86 -8.831 8.909 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.117 8.127 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.547 9.714 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.699 8.904 -7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.077 9.922 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.914 8.152 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.674 7.513 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.935 6.726 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.544 7.474 -5.782 1.00 0.00 H new ATOM 1328 N ALA A 87 -5.076 10.183 -2.994 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.339 11.325 -2.476 1.00 0.00 C ATOM 1330 C ALA A 87 -3.244 11.755 -3.448 1.00 0.00 C ATOM 1331 O ALA A 87 -3.037 12.947 -3.658 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.742 10.963 -1.115 1.00 0.00 C ATOM 0 H ALA A 87 -4.781 9.294 -2.589 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.022 12.166 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.188 11.816 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.543 10.701 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.068 10.114 -1.228 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.535 10.786 -4.034 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.456 11.048 -4.972 1.00 0.00 C ATOM 1340 C ALA A 88 -1.312 9.865 -5.924 1.00 0.00 C ATOM 1341 O ALA A 88 -1.771 8.763 -5.616 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.152 11.302 -4.210 1.00 0.00 C ATOM 0 H ALA A 88 -2.700 9.794 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.685 11.939 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.652 11.498 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.275 12.164 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.097 10.425 -3.612 1.00 0.00 H new ATOM 1348 N THR A 89 -0.690 10.105 -7.081 1.00 0.00 N ATOM 1349 CA THR A 89 -0.494 9.115 -8.124 1.00 0.00 C ATOM 1350 C THR A 89 0.914 9.256 -8.695 1.00 0.00 C ATOM 1351 O THR A 89 1.282 10.374 -9.057 1.00 0.00 O ATOM 1352 CB THR A 89 -1.524 9.356 -9.237 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.358 10.645 -9.801 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.955 9.285 -8.700 1.00 0.00 C ATOM 0 H THR A 89 -0.302 11.018 -7.317 1.00 0.00 H new ATOM 0 HA THR A 89 -0.620 8.113 -7.715 1.00 0.00 H new ATOM 0 HB THR A 89 -1.362 8.578 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.458 10.977 -9.599 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.658 9.460 -9.514 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.134 8.299 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.093 10.045 -7.931 1.00 0.00 H new ATOM 1362 N LYS A 90 1.673 8.163 -8.823 1.00 0.00 N ATOM 1363 CA LYS A 90 3.002 8.180 -9.422 1.00 0.00 C ATOM 1364 C LYS A 90 2.975 7.243 -10.628 1.00 0.00 C ATOM 1365 O LYS A 90 2.748 6.045 -10.471 1.00 0.00 O ATOM 1366 CB LYS A 90 4.068 7.800 -8.378 1.00 0.00 C ATOM 1367 CG LYS A 90 5.464 8.354 -8.707 1.00 0.00 C ATOM 1368 CD LYS A 90 6.180 7.594 -9.835 1.00 0.00 C ATOM 1369 CE LYS A 90 7.385 8.379 -10.364 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.942 7.744 -11.572 1.00 0.00 N ATOM 0 H LYS A 90 1.376 7.238 -8.511 1.00 0.00 H new ATOM 0 HA LYS A 90 3.273 9.178 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.758 8.171 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.124 6.714 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.372 9.403 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.080 8.318 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.510 6.622 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.481 7.406 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.085 9.402 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.153 8.437 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.605 8.399 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.444 6.873 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.170 7.511 -12.229 1.00 0.00 H new ATOM 1384 N VAL A 91 3.207 7.786 -11.827 1.00 0.00 N ATOM 1385 CA VAL A 91 3.258 7.033 -13.072 1.00 0.00 C ATOM 1386 C VAL A 91 4.728 6.742 -13.387 1.00 0.00 C ATOM 1387 O VAL A 91 5.568 7.635 -13.288 1.00 0.00 O ATOM 1388 CB VAL A 91 2.588 7.842 -14.198 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.622 7.075 -15.529 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.123 8.155 -13.856 1.00 0.00 C ATOM 0 H VAL A 91 3.368 8.785 -11.956 1.00 0.00 H new ATOM 0 HA VAL A 91 2.717 6.091 -12.982 1.00 0.00 H new ATOM 0 HB VAL A 91 3.150 8.771 -14.297 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.142 7.671 -16.305 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.657 6.880 -15.810 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.092 6.129 -15.418 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.674 8.727 -14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.574 7.223 -13.722 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.081 8.737 -12.935 1.00 0.00 H new ATOM 1400 N GLY A 92 5.040 5.501 -13.760 1.00 0.00 N ATOM 1401 CA GLY A 92 6.389 5.075 -14.093 1.00 0.00 C ATOM 1402 C GLY A 92 7.155 4.597 -12.861 1.00 0.00 C ATOM 1403 O GLY A 92 6.771 4.859 -11.722 1.00 0.00 O ATOM 0 H GLY A 92 4.348 4.756 -13.839 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.345 4.271 -14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.927 5.902 -14.557 1.00 0.00 H new ATOM 1407 N ALA A 93 8.257 3.880 -13.103 1.00 0.00 N ATOM 1408 CA ALA A 93 9.121 3.361 -12.054 1.00 0.00 C ATOM 1409 C ALA A 93 9.882 4.502 -11.373 1.00 0.00 C ATOM 1410 O ALA A 93 9.894 5.631 -11.862 1.00 0.00 O ATOM 1411 CB ALA A 93 10.086 2.337 -12.660 1.00 0.00 C ATOM 0 H ALA A 93 8.572 3.645 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 93 8.516 2.869 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.737 1.944 -11.879 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.518 1.520 -13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.691 2.818 -13.429 1.00 0.00 H new ATOM 1417 N LEU A 94 10.538 4.201 -10.251 1.00 0.00 N ATOM 1418 CA LEU A 94 11.330 5.145 -9.478 1.00 0.00 C ATOM 1419 C LEU A 94 12.250 4.359 -8.548 1.00 0.00 C ATOM 1420 O LEU A 94 12.091 3.147 -8.401 1.00 0.00 O ATOM 1421 CB LEU A 94 10.440 6.144 -8.718 1.00 0.00 C ATOM 1422 CG LEU A 94 9.660 5.574 -7.520 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.911 6.725 -6.841 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.657 4.483 -7.914 1.00 0.00 C ATOM 0 H LEU A 94 10.529 3.264 -9.847 1.00 0.00 H new ATOM 0 HA LEU A 94 11.940 5.749 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.067 6.962 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.726 6.572 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 94 10.382 5.109 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.351 6.342 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.626 7.473 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.222 7.181 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.141 4.124 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.929 4.893 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.187 3.655 -8.385 1.00 0.00 H new ATOM 1436 N SER A 95 13.210 5.045 -7.933 1.00 0.00 N ATOM 1437 CA SER A 95 14.188 4.470 -7.031 1.00 0.00 C ATOM 1438 C SER A 95 13.569 4.223 -5.650 1.00 0.00 C ATOM 1439 O SER A 95 12.676 4.952 -5.217 1.00 0.00 O ATOM 1440 CB SER A 95 15.371 5.445 -6.963 1.00 0.00 C ATOM 1441 OG SER A 95 14.897 6.765 -7.171 1.00 0.00 O ATOM 0 H SER A 95 13.327 6.051 -8.057 1.00 0.00 H new ATOM 0 HA SER A 95 14.531 3.500 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.864 5.371 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.113 5.189 -7.719 1.00 0.00 H new ATOM 0 HG SER A 95 15.292 7.363 -6.503 1.00 0.00 H new ATOM 1447 N LYS A 96 14.060 3.194 -4.949 1.00 0.00 N ATOM 1448 CA LYS A 96 13.573 2.826 -3.625 1.00 0.00 C ATOM 1449 C LYS A 96 13.582 4.026 -2.678 1.00 0.00 C ATOM 1450 O LYS A 96 12.582 4.290 -2.020 1.00 0.00 O ATOM 1451 CB LYS A 96 14.392 1.649 -3.071 1.00 0.00 C ATOM 1452 CG LYS A 96 13.833 1.162 -1.724 1.00 0.00 C ATOM 1453 CD LYS A 96 14.530 -0.130 -1.287 1.00 0.00 C ATOM 1454 CE LYS A 96 13.934 -0.633 0.032 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.591 -1.871 0.483 1.00 0.00 N ATOM 0 H LYS A 96 14.810 2.593 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 96 12.535 2.503 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.384 0.828 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.431 1.953 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.974 1.932 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.760 0.992 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.418 -0.891 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.599 0.047 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.040 0.136 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.866 -0.812 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.164 -2.184 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.468 -2.611 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.605 -1.693 0.627 1.00 0.00 H new ATOM 1469 N GLY A 97 14.699 4.756 -2.609 1.00 0.00 N ATOM 1470 CA GLY A 97 14.816 5.928 -1.751 1.00 0.00 C ATOM 1471 C GLY A 97 13.692 6.924 -2.033 1.00 0.00 C ATOM 1472 O GLY A 97 12.965 7.331 -1.130 1.00 0.00 O ATOM 0 H GLY A 97 15.541 4.549 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.783 5.623 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.781 6.407 -1.913 1.00 0.00 H new ATOM 1476 N GLN A 98 13.530 7.296 -3.304 1.00 0.00 N ATOM 1477 CA GLN A 98 12.493 8.225 -3.732 1.00 0.00 C ATOM 1478 C GLN A 98 11.109 7.688 -3.361 1.00 0.00 C ATOM 1479 O GLN A 98 10.273 8.440 -2.862 1.00 0.00 O ATOM 1480 CB GLN A 98 12.642 8.508 -5.232 1.00 0.00 C ATOM 1481 CG GLN A 98 13.685 9.605 -5.506 1.00 0.00 C ATOM 1482 CD GLN A 98 15.053 9.323 -4.883 1.00 0.00 C ATOM 1483 OE1 GLN A 98 15.859 8.588 -5.446 1.00 0.00 O ATOM 1484 NE2 GLN A 98 15.331 9.878 -3.707 1.00 0.00 N ATOM 0 H GLN A 98 14.119 6.958 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 98 12.606 9.175 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.933 7.593 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.679 8.812 -5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.803 9.720 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.310 10.554 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.648 10.486 -3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.228 9.696 -3.256 1.00 0.00 H new ATOM 1493 N LEU A 99 10.864 6.394 -3.574 1.00 0.00 N ATOM 1494 CA LEU A 99 9.595 5.783 -3.206 1.00 0.00 C ATOM 1495 C LEU A 99 9.368 5.920 -1.694 1.00 0.00 C ATOM 1496 O LEU A 99 8.320 6.404 -1.274 1.00 0.00 O ATOM 1497 CB LEU A 99 9.550 4.335 -3.707 1.00 0.00 C ATOM 1498 CG LEU A 99 8.233 3.594 -3.424 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.985 4.354 -3.891 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.268 2.247 -4.150 1.00 0.00 C ATOM 0 H LEU A 99 11.532 5.752 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 99 8.767 6.302 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.728 4.332 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.368 3.781 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 99 8.159 3.485 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.095 3.770 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.932 5.315 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.040 4.517 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.340 1.707 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.378 2.414 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.111 1.659 -3.786 1.00 0.00 H new ATOM 1512 N LYS A 100 10.353 5.539 -0.873 1.00 0.00 N ATOM 1513 CA LYS A 100 10.264 5.669 0.577 1.00 0.00 C ATOM 1514 C LYS A 100 9.943 7.110 0.966 1.00 0.00 C ATOM 1515 O LYS A 100 9.028 7.334 1.755 1.00 0.00 O ATOM 1516 CB LYS A 100 11.560 5.225 1.267 1.00 0.00 C ATOM 1517 CG LYS A 100 11.753 3.706 1.216 1.00 0.00 C ATOM 1518 CD LYS A 100 13.040 3.252 1.912 1.00 0.00 C ATOM 1519 CE LYS A 100 13.058 3.617 3.402 1.00 0.00 C ATOM 1520 NZ LYS A 100 14.122 2.893 4.117 1.00 0.00 N ATOM 0 H LYS A 100 11.230 5.133 -1.199 1.00 0.00 H new ATOM 0 HA LYS A 100 9.459 5.015 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.409 5.713 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.547 5.553 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.899 3.219 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.773 3.381 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.147 2.173 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.898 3.709 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.207 4.691 3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.092 3.381 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.245 3.303 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.861 1.890 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.013 2.973 3.587 1.00 0.00 H new ATOM 1534 N GLU A 101 10.696 8.069 0.418 1.00 0.00 N ATOM 1535 CA GLU A 101 10.522 9.493 0.678 1.00 0.00 C ATOM 1536 C GLU A 101 9.091 9.918 0.341 1.00 0.00 C ATOM 1537 O GLU A 101 8.408 10.511 1.172 1.00 0.00 O ATOM 1538 CB GLU A 101 11.548 10.283 -0.146 1.00 0.00 C ATOM 1539 CG GLU A 101 12.982 10.070 0.372 1.00 0.00 C ATOM 1540 CD GLU A 101 14.042 10.276 -0.709 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.761 11.021 -1.676 1.00 0.00 O ATOM 1542 OE2 GLU A 101 15.124 9.667 -0.563 1.00 0.00 O ATOM 0 H GLU A 101 11.457 7.868 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 101 10.688 9.701 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.489 9.976 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.303 11.344 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.171 10.759 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.072 9.061 0.774 1.00 0.00 H new ATOM 1549 N PHE A 102 8.639 9.605 -0.875 1.00 0.00 N ATOM 1550 CA PHE A 102 7.295 9.919 -1.343 1.00 0.00 C ATOM 1551 C PHE A 102 6.254 9.365 -0.369 1.00 0.00 C ATOM 1552 O PHE A 102 5.387 10.096 0.113 1.00 0.00 O ATOM 1553 CB PHE A 102 7.107 9.345 -2.757 1.00 0.00 C ATOM 1554 CG PHE A 102 5.693 9.422 -3.300 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.235 10.595 -3.933 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.844 8.302 -3.215 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.954 10.630 -4.510 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.554 8.345 -3.773 1.00 0.00 C ATOM 1559 CZ PHE A 102 3.116 9.503 -4.436 1.00 0.00 C ATOM 0 H PHE A 102 9.207 9.120 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 102 7.159 11.000 -1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.771 9.876 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.422 8.301 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.869 11.468 -3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.185 7.405 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.613 11.524 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.901 7.489 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.136 9.528 -4.889 1.00 0.00 H new ATOM 1569 N LEU A 103 6.337 8.068 -0.071 1.00 0.00 N ATOM 1570 CA LEU A 103 5.394 7.421 0.828 1.00 0.00 C ATOM 1571 C LEU A 103 5.402 8.099 2.193 1.00 0.00 C ATOM 1572 O LEU A 103 4.340 8.462 2.691 1.00 0.00 O ATOM 1573 CB LEU A 103 5.692 5.925 0.921 1.00 0.00 C ATOM 1574 CG LEU A 103 5.436 5.226 -0.421 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.004 3.810 -0.360 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.948 5.201 -0.789 1.00 0.00 C ATOM 0 H LEU A 103 7.054 7.446 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 103 4.386 7.527 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.729 5.776 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.069 5.474 1.694 1.00 0.00 H new ATOM 0 HG LEU A 103 5.938 5.793 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.827 3.306 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.076 3.856 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.515 3.256 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.818 4.696 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.392 4.667 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.575 6.222 -0.864 1.00 0.00 H new ATOM 1588 N ASP A 104 6.581 8.302 2.784 1.00 0.00 N ATOM 1589 CA ASP A 104 6.708 8.982 4.064 1.00 0.00 C ATOM 1590 C ASP A 104 6.016 10.346 4.007 1.00 0.00 C ATOM 1591 O ASP A 104 5.185 10.657 4.857 1.00 0.00 O ATOM 1592 CB ASP A 104 8.184 9.133 4.442 1.00 0.00 C ATOM 1593 CG ASP A 104 8.330 9.888 5.758 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.128 9.242 6.809 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.628 11.100 5.688 1.00 0.00 O ATOM 0 H ASP A 104 7.470 7.999 2.386 1.00 0.00 H new ATOM 0 HA ASP A 104 6.221 8.382 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.645 8.149 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.714 9.664 3.652 1.00 0.00 H new ATOM 1600 N ALA A 105 6.345 11.146 2.992 1.00 0.00 N ATOM 1601 CA ALA A 105 5.774 12.469 2.786 1.00 0.00 C ATOM 1602 C ALA A 105 4.248 12.421 2.674 1.00 0.00 C ATOM 1603 O ALA A 105 3.568 13.322 3.159 1.00 0.00 O ATOM 1604 CB ALA A 105 6.397 13.117 1.545 1.00 0.00 C ATOM 0 H ALA A 105 7.027 10.884 2.281 1.00 0.00 H new ATOM 0 HA ALA A 105 6.007 13.078 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.966 14.107 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.474 13.208 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.195 12.498 0.671 1.00 0.00 H new ATOM 1610 N ASN A 106 3.696 11.373 2.051 1.00 0.00 N ATOM 1611 CA ASN A 106 2.251 11.259 1.876 1.00 0.00 C ATOM 1612 C ASN A 106 1.604 10.807 3.184 1.00 0.00 C ATOM 1613 O ASN A 106 0.598 11.375 3.599 1.00 0.00 O ATOM 1614 CB ASN A 106 1.907 10.252 0.770 1.00 0.00 C ATOM 1615 CG ASN A 106 1.927 10.867 -0.626 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.882 11.202 -1.171 1.00 0.00 O ATOM 1617 ND2 ASN A 106 3.103 11.001 -1.227 1.00 0.00 N ATOM 0 H ASN A 106 4.230 10.596 1.662 1.00 0.00 H new ATOM 0 HA ASN A 106 1.868 12.238 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.616 9.425 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.919 9.834 0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.153 11.392 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.956 10.713 -0.748 1.00 0.00 H new ATOM 1624 N LEU A 107 2.168 9.793 3.842 1.00 0.00 N ATOM 1625 CA LEU A 107 1.661 9.288 5.113 1.00 0.00 C ATOM 1626 C LEU A 107 1.674 10.416 6.146 1.00 0.00 C ATOM 1627 O LEU A 107 0.686 10.633 6.845 1.00 0.00 O ATOM 1628 CB LEU A 107 2.500 8.087 5.575 1.00 0.00 C ATOM 1629 CG LEU A 107 2.253 6.832 4.720 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.454 5.890 4.845 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.986 6.090 5.166 1.00 0.00 C ATOM 0 H LEU A 107 2.994 9.298 3.504 1.00 0.00 H new ATOM 0 HA LEU A 107 0.634 8.944 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.557 8.349 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.268 7.865 6.616 1.00 0.00 H new ATOM 0 HG LEU A 107 2.120 7.147 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.282 4.999 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.353 6.398 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.583 5.601 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.841 5.209 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.091 5.784 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.124 6.750 5.067 1.00 0.00 H new ATOM 1643 N ALA A 108 2.783 11.157 6.228 1.00 0.00 N ATOM 1644 CA ALA A 108 2.914 12.291 7.127 1.00 0.00 C ATOM 1645 C ALA A 108 1.864 13.346 6.779 1.00 0.00 C ATOM 1646 O ALA A 108 1.739 14.351 7.477 1.00 0.00 O ATOM 1647 CB ALA A 108 4.330 12.864 7.024 1.00 0.00 C ATOM 0 H ALA A 108 3.616 10.980 5.666 1.00 0.00 H new ATOM 0 HA ALA A 108 2.748 11.971 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.428 13.715 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.054 12.097 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.518 13.189 6.001 1.00 0.00 H new TER 1653 ALA A 108