USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 86 LYS NZ :NH3+ -139:sc= 1.43 (180deg=0.00164) USER MOD Set 1.2: A 89 SER OG : rot -22:sc= 0.991 USER MOD Set 2.1: A 45 MET CE :methyl -179:sc= -4.31! (180deg=-4.22!) USER MOD Set 2.2: A 60 MET CE :methyl -158:sc= -2.79 (180deg=-3.6!) USER MOD Set 2.3: B 153 MET CE :methyl -111:sc= -1.91 (180deg=-6.03!) USER MOD Set 3.1: A 37 SER OG : rot 163:sc= -0.541 USER MOD Set 3.2: A 38 THR OG1 : rot 180:sc= 0.0351 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.0843 USER MOD Set 4.2: A 16 GLN : amide:sc= -0.524 K(o=-0.44,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.472 (180deg=0.386) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0.221 (180deg=-0.349) USER MOD Single : A 11 GLN : amide:sc= -0.355 X(o=-0.35,f=-0.77) USER MOD Single : A 17 LYS NZ :NH3+ -119:sc= 0.267 (180deg=-0.00331) USER MOD Single : A 18 ASN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 1.49 (180deg=1.11) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 2.11 (180deg=1.9) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 1.14 (180deg=0.973) USER MOD Single : A 47 MET CE :methyl 163:sc= -1.01 (180deg=-1.56) USER MOD Single : A 50 GLN : amide:sc= 0.39 K(o=0.39,f=-6.7!) USER MOD Single : A 51 ASN : amide:sc= -0.318 K(o=-0.32,f=-5.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 58 GLN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.026 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -124:sc= -1.42 (180deg=-4.14!) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.759 (180deg=-1.16) USER MOD Single : A 84 CYS SG : rot -87:sc= -0.417 USER MOD Single : A 85 MET CE :methyl -144:sc= 0 (180deg=-0.359) USER MOD Single : A 91 SXK OAB : rot 140:sc= -0.217 USER MOD Single : B 149 SER OG : rot -112:sc= 1.11 USER MOD Single : B 154 MET CE :methyl 179:sc= -3.84! (180deg=-3.84!) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.878 7.728 1.327 1.00 0.00 N ATOM 2 CA MET A 1 71.727 9.207 1.483 1.00 0.00 C ATOM 3 C MET A 1 70.459 9.529 2.291 1.00 0.00 C ATOM 4 O MET A 1 69.383 9.680 1.743 1.00 0.00 O ATOM 5 CB MET A 1 71.620 9.751 0.051 1.00 0.00 C ATOM 6 CG MET A 1 72.056 11.220 0.021 1.00 0.00 C ATOM 7 SD MET A 1 73.844 11.324 0.287 1.00 0.00 S ATOM 8 CE MET A 1 73.983 13.128 0.259 1.00 0.00 C ATOM 0 H1 MET A 1 72.747 7.522 0.794 1.00 0.00 H new ATOM 0 H2 MET A 1 71.934 7.284 2.266 1.00 0.00 H new ATOM 0 H3 MET A 1 71.058 7.348 0.812 1.00 0.00 H new ATOM 0 HA MET A 1 72.562 9.655 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 1 72.246 9.162 -0.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.595 9.659 -0.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.793 11.669 -0.937 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.529 11.783 0.792 1.00 0.00 H new ATOM 0 HE1 MET A 1 75.024 13.415 0.408 1.00 0.00 H new ATOM 0 HE2 MET A 1 73.637 13.505 -0.703 1.00 0.00 H new ATOM 0 HE3 MET A 1 73.372 13.552 1.056 1.00 0.00 H new ATOM 20 N ASP A 2 70.585 9.632 3.593 1.00 0.00 N ATOM 21 CA ASP A 2 69.397 9.942 4.455 1.00 0.00 C ATOM 22 C ASP A 2 69.849 10.228 5.898 1.00 0.00 C ATOM 23 O ASP A 2 69.422 11.193 6.500 1.00 0.00 O ATOM 24 CB ASP A 2 68.495 8.696 4.384 1.00 0.00 C ATOM 25 CG ASP A 2 69.197 7.481 4.996 1.00 0.00 C ATOM 26 OD1 ASP A 2 70.083 6.941 4.354 1.00 0.00 O ATOM 27 OD2 ASP A 2 68.838 7.116 6.104 1.00 0.00 O ATOM 0 H ASP A 2 71.463 9.514 4.099 1.00 0.00 H new ATOM 0 HA ASP A 2 68.863 10.829 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 2 67.561 8.887 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 2 68.236 8.487 3.346 1.00 0.00 H new ATOM 32 N ASP A 3 70.724 9.401 6.436 1.00 0.00 N ATOM 33 CA ASP A 3 71.253 9.597 7.827 1.00 0.00 C ATOM 34 C ASP A 3 70.125 9.695 8.879 1.00 0.00 C ATOM 35 O ASP A 3 69.811 8.725 9.543 1.00 0.00 O ATOM 36 CB ASP A 3 72.068 10.896 7.758 1.00 0.00 C ATOM 37 CG ASP A 3 73.331 10.662 6.925 1.00 0.00 C ATOM 38 OD1 ASP A 3 74.311 10.204 7.489 1.00 0.00 O ATOM 39 OD2 ASP A 3 73.295 10.942 5.738 1.00 0.00 O ATOM 0 H ASP A 3 71.099 8.583 5.957 1.00 0.00 H new ATOM 0 HA ASP A 3 71.855 8.746 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 3 71.469 11.691 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 3 72.337 11.223 8.762 1.00 0.00 H new ATOM 44 N ILE A 4 69.536 10.859 9.047 1.00 0.00 N ATOM 45 CA ILE A 4 68.445 11.042 10.066 1.00 0.00 C ATOM 46 C ILE A 4 67.339 9.979 9.921 1.00 0.00 C ATOM 47 O ILE A 4 66.785 9.522 10.904 1.00 0.00 O ATOM 48 CB ILE A 4 67.885 12.450 9.796 1.00 0.00 C ATOM 49 CG1 ILE A 4 68.902 13.503 10.254 1.00 0.00 C ATOM 50 CG2 ILE A 4 66.576 12.647 10.569 1.00 0.00 C ATOM 51 CD1 ILE A 4 68.613 14.836 9.556 1.00 0.00 C ATOM 0 H ILE A 4 69.767 11.699 8.516 1.00 0.00 H new ATOM 0 HA ILE A 4 68.827 10.931 11.081 1.00 0.00 H new ATOM 0 HB ILE A 4 67.696 12.559 8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 4 68.849 13.628 11.335 1.00 0.00 H new ATOM 0 HG13 ILE A 4 69.914 13.171 10.021 1.00 0.00 H new ATOM 0 HG21 ILE A 4 66.185 13.645 10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 4 65.848 11.903 10.247 1.00 0.00 H new ATOM 0 HG23 ILE A 4 66.763 12.533 11.637 1.00 0.00 H new ATOM 0 HD11 ILE A 4 69.337 15.582 9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 4 68.689 14.705 8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 4 67.607 15.170 9.811 1.00 0.00 H new ATOM 63 N TYR A 5 67.006 9.588 8.713 1.00 0.00 N ATOM 64 CA TYR A 5 65.925 8.562 8.527 1.00 0.00 C ATOM 65 C TYR A 5 66.290 7.237 9.216 1.00 0.00 C ATOM 66 O TYR A 5 65.425 6.540 9.711 1.00 0.00 O ATOM 67 CB TYR A 5 65.793 8.380 7.014 1.00 0.00 C ATOM 68 CG TYR A 5 64.966 9.515 6.455 1.00 0.00 C ATOM 69 CD1 TYR A 5 63.625 9.661 6.837 1.00 0.00 C ATOM 70 CD2 TYR A 5 65.539 10.423 5.558 1.00 0.00 C ATOM 71 CE1 TYR A 5 62.862 10.716 6.324 1.00 0.00 C ATOM 72 CE2 TYR A 5 64.775 11.477 5.044 1.00 0.00 C ATOM 73 CZ TYR A 5 63.436 11.623 5.427 1.00 0.00 C ATOM 74 OH TYR A 5 62.686 12.663 4.922 1.00 0.00 O ATOM 0 H TYR A 5 67.432 9.931 7.852 1.00 0.00 H new ATOM 0 HA TYR A 5 64.986 8.883 8.977 1.00 0.00 H new ATOM 0 HB2 TYR A 5 66.779 8.367 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 5 65.321 7.423 6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 5 63.181 8.959 7.527 1.00 0.00 H new ATOM 0 HD2 TYR A 5 66.572 10.311 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 5 61.830 10.830 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 5 65.218 12.178 4.352 1.00 0.00 H new ATOM 0 HH TYR A 5 63.237 13.199 4.315 1.00 0.00 H new ATOM 84 N LYS A 6 67.555 6.890 9.271 1.00 0.00 N ATOM 85 CA LYS A 6 67.950 5.619 9.958 1.00 0.00 C ATOM 86 C LYS A 6 67.577 5.696 11.446 1.00 0.00 C ATOM 87 O LYS A 6 67.119 4.730 12.027 1.00 0.00 O ATOM 88 CB LYS A 6 69.470 5.516 9.784 1.00 0.00 C ATOM 89 CG LYS A 6 69.821 4.178 9.128 1.00 0.00 C ATOM 90 CD LYS A 6 69.426 4.215 7.647 1.00 0.00 C ATOM 91 CE LYS A 6 70.663 4.468 6.778 1.00 0.00 C ATOM 92 NZ LYS A 6 71.118 5.846 7.123 1.00 0.00 N ATOM 0 H LYS A 6 68.325 7.427 8.873 1.00 0.00 H new ATOM 0 HA LYS A 6 67.442 4.748 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 6 69.833 6.340 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.964 5.599 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.889 3.982 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.300 3.365 9.634 1.00 0.00 H new ATOM 0 HD2 LYS A 6 68.960 3.272 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 6 68.687 4.999 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.443 3.735 6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 6 70.421 4.389 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 71.851 6.148 6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.311 6.501 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.509 5.851 8.087 1.00 0.00 H new ATOM 106 N ALA A 7 67.754 6.845 12.057 1.00 0.00 N ATOM 107 CA ALA A 7 67.395 7.002 13.502 1.00 0.00 C ATOM 108 C ALA A 7 65.901 6.714 13.713 1.00 0.00 C ATOM 109 O ALA A 7 65.513 6.107 14.691 1.00 0.00 O ATOM 110 CB ALA A 7 67.713 8.461 13.836 1.00 0.00 C ATOM 0 H ALA A 7 68.133 7.682 11.615 1.00 0.00 H new ATOM 0 HA ALA A 7 67.945 6.310 14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 7 67.476 8.655 14.882 1.00 0.00 H new ATOM 0 HB2 ALA A 7 68.772 8.651 13.663 1.00 0.00 H new ATOM 0 HB3 ALA A 7 67.118 9.118 13.201 1.00 0.00 H new ATOM 116 N ALA A 8 65.064 7.134 12.793 1.00 0.00 N ATOM 117 CA ALA A 8 63.596 6.871 12.929 1.00 0.00 C ATOM 118 C ALA A 8 63.327 5.357 12.977 1.00 0.00 C ATOM 119 O ALA A 8 62.429 4.902 13.660 1.00 0.00 O ATOM 120 CB ALA A 8 62.965 7.492 11.683 1.00 0.00 C ATOM 0 H ALA A 8 65.335 7.647 11.954 1.00 0.00 H new ATOM 0 HA ALA A 8 63.184 7.293 13.846 1.00 0.00 H new ATOM 0 HB1 ALA A 8 61.886 7.341 11.708 1.00 0.00 H new ATOM 0 HB2 ALA A 8 63.181 8.560 11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.377 7.019 10.792 1.00 0.00 H new ATOM 126 N VAL A 9 64.110 4.576 12.266 1.00 0.00 N ATOM 127 CA VAL A 9 63.914 3.089 12.279 1.00 0.00 C ATOM 128 C VAL A 9 64.223 2.537 13.679 1.00 0.00 C ATOM 129 O VAL A 9 63.585 1.609 14.138 1.00 0.00 O ATOM 130 CB VAL A 9 64.898 2.534 11.240 1.00 0.00 C ATOM 131 CG1 VAL A 9 64.854 1.003 11.252 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.508 3.032 9.846 1.00 0.00 C ATOM 0 H VAL A 9 64.876 4.905 11.678 1.00 0.00 H new ATOM 0 HA VAL A 9 62.889 2.804 12.041 1.00 0.00 H new ATOM 0 HB VAL A 9 65.904 2.874 11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 9 65.554 0.613 10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.131 0.639 12.241 1.00 0.00 H new ATOM 0 HG13 VAL A 9 63.846 0.666 11.010 1.00 0.00 H new ATOM 0 HG21 VAL A 9 65.208 2.637 9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.500 2.693 9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.538 4.121 9.827 1.00 0.00 H new ATOM 142 N GLU A 10 65.183 3.113 14.366 1.00 0.00 N ATOM 143 CA GLU A 10 65.516 2.636 15.746 1.00 0.00 C ATOM 144 C GLU A 10 64.311 2.844 16.678 1.00 0.00 C ATOM 145 O GLU A 10 64.091 2.078 17.595 1.00 0.00 O ATOM 146 CB GLU A 10 66.702 3.493 16.198 1.00 0.00 C ATOM 147 CG GLU A 10 67.995 2.922 15.610 1.00 0.00 C ATOM 148 CD GLU A 10 69.136 3.919 15.815 1.00 0.00 C ATOM 149 OE1 GLU A 10 69.656 3.977 16.917 1.00 0.00 O ATOM 150 OE2 GLU A 10 69.472 4.606 14.865 1.00 0.00 O ATOM 0 H GLU A 10 65.749 3.892 14.030 1.00 0.00 H new ATOM 0 HA GLU A 10 65.759 1.574 15.767 1.00 0.00 H new ATOM 0 HB2 GLU A 10 66.565 4.524 15.872 1.00 0.00 H new ATOM 0 HB3 GLU A 10 66.760 3.508 17.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 68.237 1.974 16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 10 67.864 2.717 14.547 1.00 0.00 H new ATOM 157 N GLN A 11 63.523 3.869 16.437 1.00 0.00 N ATOM 158 CA GLN A 11 62.320 4.122 17.294 1.00 0.00 C ATOM 159 C GLN A 11 61.283 3.005 17.098 1.00 0.00 C ATOM 160 O GLN A 11 60.518 2.699 17.993 1.00 0.00 O ATOM 161 CB GLN A 11 61.753 5.464 16.818 1.00 0.00 C ATOM 162 CG GLN A 11 62.322 6.601 17.673 1.00 0.00 C ATOM 163 CD GLN A 11 63.554 7.193 16.987 1.00 0.00 C ATOM 164 OE1 GLN A 11 63.438 8.056 16.141 1.00 0.00 O ATOM 165 NE2 GLN A 11 64.739 6.763 17.316 1.00 0.00 N ATOM 0 H GLN A 11 63.663 4.541 15.682 1.00 0.00 H new ATOM 0 HA GLN A 11 62.574 4.143 18.354 1.00 0.00 H new ATOM 0 HB2 GLN A 11 62.005 5.624 15.770 1.00 0.00 H new ATOM 0 HB3 GLN A 11 60.665 5.454 16.887 1.00 0.00 H new ATOM 0 HG2 GLN A 11 61.567 7.374 17.817 1.00 0.00 H new ATOM 0 HG3 GLN A 11 62.588 6.228 18.662 1.00 0.00 H new ATOM 0 HE21 GLN A 11 64.839 6.038 18.026 1.00 0.00 H new ATOM 0 HE22 GLN A 11 65.566 7.151 16.863 1.00 0.00 H new ATOM 174 N LEU A 12 61.253 2.392 15.938 1.00 0.00 N ATOM 175 CA LEU A 12 60.269 1.292 15.695 1.00 0.00 C ATOM 176 C LEU A 12 60.747 0.006 16.382 1.00 0.00 C ATOM 177 O LEU A 12 61.583 -0.713 15.866 1.00 0.00 O ATOM 178 CB LEU A 12 60.224 1.106 14.172 1.00 0.00 C ATOM 179 CG LEU A 12 59.656 2.361 13.500 1.00 0.00 C ATOM 180 CD1 LEU A 12 59.886 2.272 11.991 1.00 0.00 C ATOM 181 CD2 LEU A 12 58.153 2.454 13.779 1.00 0.00 C ATOM 0 H LEU A 12 61.866 2.606 15.152 1.00 0.00 H new ATOM 0 HA LEU A 12 59.283 1.527 16.096 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.226 0.904 13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.609 0.241 13.922 1.00 0.00 H new ATOM 0 HG LEU A 12 60.155 3.245 13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 12 59.484 3.163 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 12 60.955 2.202 11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 12 59.384 1.388 11.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 57.749 3.346 13.301 1.00 0.00 H new ATOM 0 HD22 LEU A 12 57.654 1.571 13.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 57.985 2.511 14.855 1.00 0.00 H new ATOM 193 N THR A 13 60.224 -0.282 17.548 1.00 0.00 N ATOM 194 CA THR A 13 60.647 -1.516 18.285 1.00 0.00 C ATOM 195 C THR A 13 59.988 -2.760 17.688 1.00 0.00 C ATOM 196 O THR A 13 59.302 -2.690 16.685 1.00 0.00 O ATOM 197 CB THR A 13 60.194 -1.300 19.736 1.00 0.00 C ATOM 198 OG1 THR A 13 58.868 -0.789 19.751 1.00 0.00 O ATOM 199 CG2 THR A 13 61.127 -0.300 20.417 1.00 0.00 C ATOM 0 H THR A 13 59.521 0.284 18.023 1.00 0.00 H new ATOM 0 HA THR A 13 61.723 -1.677 18.218 1.00 0.00 H new ATOM 0 HB THR A 13 60.224 -2.251 20.268 1.00 0.00 H new ATOM 0 HG1 THR A 13 58.580 -0.653 20.678 1.00 0.00 H new ATOM 0 HG21 THR A 13 60.806 -0.146 21.447 1.00 0.00 H new ATOM 0 HG22 THR A 13 62.145 -0.688 20.408 1.00 0.00 H new ATOM 0 HG23 THR A 13 61.096 0.649 19.882 1.00 0.00 H new ATOM 207 N GLU A 14 60.214 -3.900 18.289 1.00 0.00 N ATOM 208 CA GLU A 14 59.629 -5.169 17.756 1.00 0.00 C ATOM 209 C GLU A 14 58.120 -5.026 17.506 1.00 0.00 C ATOM 210 O GLU A 14 57.593 -5.569 16.554 1.00 0.00 O ATOM 211 CB GLU A 14 59.903 -6.226 18.831 1.00 0.00 C ATOM 212 CG GLU A 14 61.042 -7.143 18.370 1.00 0.00 C ATOM 213 CD GLU A 14 62.349 -6.348 18.287 1.00 0.00 C ATOM 214 OE1 GLU A 14 63.034 -6.268 19.293 1.00 0.00 O ATOM 215 OE2 GLU A 14 62.639 -5.832 17.220 1.00 0.00 O ATOM 0 H GLU A 14 60.781 -4.008 19.130 1.00 0.00 H new ATOM 0 HA GLU A 14 60.071 -5.439 16.797 1.00 0.00 H new ATOM 0 HB2 GLU A 14 60.169 -5.743 19.771 1.00 0.00 H new ATOM 0 HB3 GLU A 14 59.003 -6.812 19.017 1.00 0.00 H new ATOM 0 HG2 GLU A 14 61.155 -7.975 19.065 1.00 0.00 H new ATOM 0 HG3 GLU A 14 60.804 -7.572 17.396 1.00 0.00 H new ATOM 222 N GLU A 15 57.428 -4.296 18.345 1.00 0.00 N ATOM 223 CA GLU A 15 55.953 -4.109 18.149 1.00 0.00 C ATOM 224 C GLU A 15 55.686 -3.427 16.802 1.00 0.00 C ATOM 225 O GLU A 15 54.842 -3.855 16.038 1.00 0.00 O ATOM 226 CB GLU A 15 55.500 -3.210 19.306 1.00 0.00 C ATOM 227 CG GLU A 15 55.771 -3.907 20.645 1.00 0.00 C ATOM 228 CD GLU A 15 56.916 -3.196 21.370 1.00 0.00 C ATOM 229 OE1 GLU A 15 58.057 -3.408 20.988 1.00 0.00 O ATOM 230 OE2 GLU A 15 56.635 -2.448 22.291 1.00 0.00 O ATOM 0 H GLU A 15 57.819 -3.820 19.158 1.00 0.00 H new ATOM 0 HA GLU A 15 55.415 -5.057 18.142 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.030 -2.258 19.268 1.00 0.00 H new ATOM 0 HB3 GLU A 15 54.437 -2.987 19.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.872 -3.894 21.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.027 -4.953 20.477 1.00 0.00 H new ATOM 237 N GLN A 16 56.414 -2.378 16.503 1.00 0.00 N ATOM 238 CA GLN A 16 56.224 -1.669 15.198 1.00 0.00 C ATOM 239 C GLN A 16 56.860 -2.477 14.067 1.00 0.00 C ATOM 240 O GLN A 16 56.353 -2.532 12.962 1.00 0.00 O ATOM 241 CB GLN A 16 56.929 -0.318 15.364 1.00 0.00 C ATOM 242 CG GLN A 16 56.036 0.631 16.171 1.00 0.00 C ATOM 243 CD GLN A 16 56.563 0.741 17.605 1.00 0.00 C ATOM 244 OE1 GLN A 16 56.270 -0.093 18.435 1.00 0.00 O ATOM 245 NE2 GLN A 16 57.332 1.741 17.935 1.00 0.00 N ATOM 0 H GLN A 16 57.133 -1.981 17.108 1.00 0.00 H new ATOM 0 HA GLN A 16 55.171 -1.542 14.946 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.884 -0.454 15.871 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.146 0.113 14.387 1.00 0.00 H new ATOM 0 HG2 GLN A 16 56.019 1.615 15.703 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.010 0.263 16.178 1.00 0.00 H new ATOM 0 HE21 GLN A 16 57.581 2.444 17.239 1.00 0.00 H new ATOM 0 HE22 GLN A 16 57.685 1.820 18.889 1.00 0.00 H new ATOM 254 N LYS A 17 57.959 -3.112 14.352 1.00 0.00 N ATOM 255 CA LYS A 17 58.654 -3.945 13.323 1.00 0.00 C ATOM 256 C LYS A 17 57.746 -5.103 12.892 1.00 0.00 C ATOM 257 O LYS A 17 57.655 -5.426 11.725 1.00 0.00 O ATOM 258 CB LYS A 17 59.909 -4.480 14.023 1.00 0.00 C ATOM 259 CG LYS A 17 61.020 -3.427 13.973 1.00 0.00 C ATOM 260 CD LYS A 17 62.006 -3.779 12.857 1.00 0.00 C ATOM 261 CE LYS A 17 63.393 -3.219 13.193 1.00 0.00 C ATOM 262 NZ LYS A 17 64.340 -3.974 12.321 1.00 0.00 N ATOM 0 H LYS A 17 58.415 -3.092 15.264 1.00 0.00 H new ATOM 0 HA LYS A 17 58.902 -3.377 12.426 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.680 -4.731 15.059 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.243 -5.398 13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.593 -2.440 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.538 -3.384 14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.060 -4.861 12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.658 -3.369 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 17 63.444 -2.148 12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.630 -3.360 14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 65.015 -4.498 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.808 -4.643 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 64.858 -3.308 11.712 1.00 0.00 H new ATOM 276 N ASN A 18 57.068 -5.721 13.832 1.00 0.00 N ATOM 277 CA ASN A 18 56.153 -6.855 13.492 1.00 0.00 C ATOM 278 C ASN A 18 55.020 -6.372 12.573 1.00 0.00 C ATOM 279 O ASN A 18 54.644 -7.050 11.635 1.00 0.00 O ATOM 280 CB ASN A 18 55.598 -7.334 14.838 1.00 0.00 C ATOM 281 CG ASN A 18 54.687 -8.542 14.619 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.146 -9.664 14.581 1.00 0.00 O ATOM 283 ND2 ASN A 18 53.404 -8.360 14.468 1.00 0.00 N ATOM 0 H ASN A 18 57.111 -5.486 14.824 1.00 0.00 H new ATOM 0 HA ASN A 18 56.666 -7.655 12.958 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.417 -7.600 15.506 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.042 -6.530 15.320 1.00 0.00 H new ATOM 0 HD21 ASN A 18 52.789 -9.160 14.318 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.015 -7.417 14.500 1.00 0.00 H new ATOM 290 N GLU A 19 54.483 -5.202 12.831 1.00 0.00 N ATOM 291 CA GLU A 19 53.380 -4.666 11.966 1.00 0.00 C ATOM 292 C GLU A 19 53.876 -4.497 10.520 1.00 0.00 C ATOM 293 O GLU A 19 53.189 -4.842 9.577 1.00 0.00 O ATOM 294 CB GLU A 19 53.009 -3.310 12.577 1.00 0.00 C ATOM 295 CG GLU A 19 52.075 -3.525 13.775 1.00 0.00 C ATOM 296 CD GLU A 19 50.622 -3.583 13.297 1.00 0.00 C ATOM 297 OE1 GLU A 19 50.226 -4.622 12.793 1.00 0.00 O ATOM 298 OE2 GLU A 19 49.929 -2.590 13.444 1.00 0.00 O ATOM 0 H GLU A 19 54.760 -4.595 13.602 1.00 0.00 H new ATOM 0 HA GLU A 19 52.522 -5.337 11.929 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.909 -2.784 12.894 1.00 0.00 H new ATOM 0 HB3 GLU A 19 52.521 -2.684 11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.335 -4.450 14.289 1.00 0.00 H new ATOM 0 HG3 GLU A 19 52.199 -2.715 14.494 1.00 0.00 H new ATOM 305 N PHE A 20 55.070 -3.981 10.342 1.00 0.00 N ATOM 306 CA PHE A 20 55.619 -3.806 8.958 1.00 0.00 C ATOM 307 C PHE A 20 56.113 -5.155 8.415 1.00 0.00 C ATOM 308 O PHE A 20 55.975 -5.448 7.244 1.00 0.00 O ATOM 309 CB PHE A 20 56.783 -2.819 9.105 1.00 0.00 C ATOM 310 CG PHE A 20 56.270 -1.401 8.981 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.468 -1.032 7.890 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.595 -0.455 9.961 1.00 0.00 C ATOM 313 CE1 PHE A 20 54.994 0.279 7.782 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.120 0.858 9.850 1.00 0.00 C ATOM 315 CZ PHE A 20 55.320 1.224 8.761 1.00 0.00 C ATOM 0 H PHE A 20 55.687 -3.674 11.094 1.00 0.00 H new ATOM 0 HA PHE A 20 54.868 -3.437 8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.269 -2.957 10.071 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.535 -3.012 8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.217 -1.761 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.211 -0.738 10.802 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.376 0.562 6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 20 56.371 1.588 10.605 1.00 0.00 H new ATOM 0 HZ PHE A 20 54.954 2.237 8.676 1.00 0.00 H new ATOM 325 N LYS A 21 56.679 -5.977 9.269 1.00 0.00 N ATOM 326 CA LYS A 21 57.180 -7.321 8.834 1.00 0.00 C ATOM 327 C LYS A 21 56.036 -8.137 8.215 1.00 0.00 C ATOM 328 O LYS A 21 56.174 -8.696 7.143 1.00 0.00 O ATOM 329 CB LYS A 21 57.695 -7.976 10.127 1.00 0.00 C ATOM 330 CG LYS A 21 57.703 -9.501 9.991 1.00 0.00 C ATOM 331 CD LYS A 21 58.856 -9.924 9.073 1.00 0.00 C ATOM 332 CE LYS A 21 58.370 -10.987 8.086 1.00 0.00 C ATOM 333 NZ LYS A 21 58.450 -10.334 6.746 1.00 0.00 N ATOM 0 H LYS A 21 56.816 -5.771 10.259 1.00 0.00 H new ATOM 0 HA LYS A 21 57.958 -7.258 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.702 -7.620 10.346 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.064 -7.683 10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.815 -9.964 10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.753 -9.846 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 21 59.237 -9.059 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 21 59.681 -10.317 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.994 -11.880 8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 21 57.351 -11.300 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 58.280 -11.043 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.731 -9.585 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 59.395 -9.918 6.618 1.00 0.00 H new ATOM 347 N ALA A 22 54.909 -8.200 8.883 1.00 0.00 N ATOM 348 CA ALA A 22 53.746 -8.969 8.339 1.00 0.00 C ATOM 349 C ALA A 22 53.322 -8.391 6.981 1.00 0.00 C ATOM 350 O ALA A 22 53.084 -9.119 6.037 1.00 0.00 O ATOM 351 CB ALA A 22 52.641 -8.794 9.379 1.00 0.00 C ATOM 0 H ALA A 22 54.745 -7.751 9.784 1.00 0.00 H new ATOM 0 HA ALA A 22 53.979 -10.021 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.749 -9.330 9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.976 -9.193 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.409 -7.735 9.488 1.00 0.00 H new ATOM 357 N ALA A 23 53.254 -7.086 6.870 1.00 0.00 N ATOM 358 CA ALA A 23 52.877 -6.463 5.562 1.00 0.00 C ATOM 359 C ALA A 23 53.986 -6.739 4.534 1.00 0.00 C ATOM 360 O ALA A 23 53.727 -6.953 3.363 1.00 0.00 O ATOM 361 CB ALA A 23 52.760 -4.963 5.848 1.00 0.00 C ATOM 0 H ALA A 23 53.443 -6.427 7.626 1.00 0.00 H new ATOM 0 HA ALA A 23 51.947 -6.861 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.485 -4.438 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 23 51.995 -4.796 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 23 53.717 -4.586 6.209 1.00 0.00 H new ATOM 367 N PHE A 24 55.221 -6.751 4.982 1.00 0.00 N ATOM 368 CA PHE A 24 56.374 -7.031 4.070 1.00 0.00 C ATOM 369 C PHE A 24 56.256 -8.448 3.486 1.00 0.00 C ATOM 370 O PHE A 24 56.623 -8.685 2.353 1.00 0.00 O ATOM 371 CB PHE A 24 57.611 -6.914 4.970 1.00 0.00 C ATOM 372 CG PHE A 24 58.875 -6.948 4.141 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.214 -5.859 3.331 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.713 -8.067 4.196 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.391 -5.889 2.574 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.891 -8.098 3.441 1.00 0.00 C ATOM 377 CZ PHE A 24 61.230 -7.010 2.629 1.00 0.00 C ATOM 0 H PHE A 24 55.480 -6.576 5.953 1.00 0.00 H new ATOM 0 HA PHE A 24 56.417 -6.347 3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.567 -5.985 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.621 -7.730 5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.567 -4.995 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.451 -8.907 4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.652 -5.049 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.538 -8.961 3.485 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.138 -7.034 2.045 1.00 0.00 H new ATOM 387 N ASP A 25 55.739 -9.385 4.252 1.00 0.00 N ATOM 388 CA ASP A 25 55.587 -10.788 3.745 1.00 0.00 C ATOM 389 C ASP A 25 54.714 -10.812 2.485 1.00 0.00 C ATOM 390 O ASP A 25 55.105 -11.348 1.467 1.00 0.00 O ATOM 391 CB ASP A 25 54.901 -11.561 4.879 1.00 0.00 C ATOM 392 CG ASP A 25 55.939 -12.043 5.896 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.018 -12.441 5.483 1.00 0.00 O ATOM 394 OD2 ASP A 25 55.635 -12.007 7.075 1.00 0.00 O ATOM 0 H ASP A 25 55.416 -9.236 5.208 1.00 0.00 H new ATOM 0 HA ASP A 25 56.549 -11.225 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 25 54.168 -10.923 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.358 -12.414 4.471 1.00 0.00 H new ATOM 399 N ILE A 26 53.541 -10.230 2.543 1.00 0.00 N ATOM 400 CA ILE A 26 52.648 -10.212 1.340 1.00 0.00 C ATOM 401 C ILE A 26 53.320 -9.420 0.209 1.00 0.00 C ATOM 402 O ILE A 26 53.226 -9.777 -0.949 1.00 0.00 O ATOM 403 CB ILE A 26 51.358 -9.518 1.800 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.696 -10.343 2.910 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.391 -9.396 0.619 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.532 -9.480 4.165 1.00 0.00 C ATOM 0 H ILE A 26 53.163 -9.767 3.369 1.00 0.00 H new ATOM 0 HA ILE A 26 52.446 -11.212 0.957 1.00 0.00 H new ATOM 0 HB ILE A 26 51.601 -8.525 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 26 49.724 -10.706 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.303 -11.220 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.476 -8.903 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.856 -8.808 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.152 -10.390 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.061 -10.069 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.511 -9.139 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.907 -8.617 3.934 1.00 0.00 H new ATOM 418 N PHE A 27 54.004 -8.352 0.546 1.00 0.00 N ATOM 419 CA PHE A 27 54.697 -7.528 -0.495 1.00 0.00 C ATOM 420 C PHE A 27 55.763 -8.362 -1.227 1.00 0.00 C ATOM 421 O PHE A 27 55.995 -8.182 -2.407 1.00 0.00 O ATOM 422 CB PHE A 27 55.354 -6.379 0.284 1.00 0.00 C ATOM 423 CG PHE A 27 55.159 -5.065 -0.444 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.149 -5.020 -1.845 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.992 -3.885 0.292 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.973 -3.799 -2.506 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.817 -2.664 -0.370 1.00 0.00 C ATOM 428 CZ PHE A 27 54.807 -2.621 -1.768 1.00 0.00 C ATOM 0 H PHE A 27 54.112 -8.014 1.502 1.00 0.00 H new ATOM 0 HA PHE A 27 54.007 -7.167 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.923 -6.316 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.418 -6.578 0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.277 -5.928 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.998 -3.917 1.372 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.965 -3.766 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.690 -1.755 0.199 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.671 -1.679 -2.278 1.00 0.00 H new ATOM 438 N VAL A 28 56.414 -9.271 -0.537 1.00 0.00 N ATOM 439 CA VAL A 28 57.468 -10.114 -1.197 1.00 0.00 C ATOM 440 C VAL A 28 56.940 -11.525 -1.526 1.00 0.00 C ATOM 441 O VAL A 28 57.622 -12.307 -2.160 1.00 0.00 O ATOM 442 CB VAL A 28 58.632 -10.197 -0.192 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.073 -8.789 0.219 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.204 -10.979 1.056 1.00 0.00 C ATOM 0 H VAL A 28 56.262 -9.466 0.453 1.00 0.00 H new ATOM 0 HA VAL A 28 57.779 -9.674 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 28 59.464 -10.713 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.896 -8.859 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.400 -8.238 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.236 -8.267 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.037 -11.029 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.361 -10.476 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.909 -11.989 0.769 1.00 0.00 H new ATOM 454 N LEU A 29 55.741 -11.860 -1.097 1.00 0.00 N ATOM 455 CA LEU A 29 55.180 -13.223 -1.382 1.00 0.00 C ATOM 456 C LEU A 29 55.246 -13.539 -2.882 1.00 0.00 C ATOM 457 O LEU A 29 55.840 -14.519 -3.292 1.00 0.00 O ATOM 458 CB LEU A 29 53.722 -13.166 -0.911 1.00 0.00 C ATOM 459 CG LEU A 29 53.389 -14.444 -0.140 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.478 -14.108 1.042 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.674 -15.430 -1.069 1.00 0.00 C ATOM 0 H LEU A 29 55.127 -11.246 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 29 55.745 -14.005 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.567 -12.294 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.055 -13.060 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 29 54.311 -14.893 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 29 52.242 -15.020 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 29 52.986 -13.407 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.556 -13.657 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 52.437 -16.341 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.753 -14.979 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 29 53.323 -15.673 -1.911 1.00 0.00 H new ATOM 473 N GLY A 30 54.652 -12.710 -3.702 1.00 0.00 N ATOM 474 CA GLY A 30 54.689 -12.950 -5.176 1.00 0.00 C ATOM 475 C GLY A 30 55.668 -11.965 -5.812 1.00 0.00 C ATOM 476 O GLY A 30 55.336 -11.270 -6.753 1.00 0.00 O ATOM 0 H GLY A 30 54.142 -11.875 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 30 54.997 -13.975 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 30 53.695 -12.823 -5.604 1.00 0.00 H new ATOM 480 N ALA A 31 56.871 -11.888 -5.298 1.00 0.00 N ATOM 481 CA ALA A 31 57.867 -10.930 -5.867 1.00 0.00 C ATOM 482 C ALA A 31 58.830 -11.629 -6.845 1.00 0.00 C ATOM 483 O ALA A 31 59.978 -11.252 -6.958 1.00 0.00 O ATOM 484 CB ALA A 31 58.617 -10.378 -4.649 1.00 0.00 C ATOM 0 H ALA A 31 57.205 -12.445 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 31 57.386 -10.142 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.371 -9.663 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 31 57.912 -9.880 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.102 -11.197 -4.118 1.00 0.00 H new ATOM 490 N GLU A 32 58.357 -12.628 -7.563 1.00 0.00 N ATOM 491 CA GLU A 32 59.220 -13.359 -8.556 1.00 0.00 C ATOM 492 C GLU A 32 60.510 -13.881 -7.901 1.00 0.00 C ATOM 493 O GLU A 32 60.566 -15.013 -7.457 1.00 0.00 O ATOM 494 CB GLU A 32 59.531 -12.335 -9.655 1.00 0.00 C ATOM 495 CG GLU A 32 58.472 -12.431 -10.757 1.00 0.00 C ATOM 496 CD GLU A 32 58.289 -11.062 -11.414 1.00 0.00 C ATOM 497 OE1 GLU A 32 59.154 -10.674 -12.183 1.00 0.00 O ATOM 498 OE2 GLU A 32 57.290 -10.421 -11.134 1.00 0.00 O ATOM 0 H GLU A 32 57.398 -12.971 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 32 58.714 -14.238 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 32 59.545 -11.329 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 32 60.521 -12.521 -10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.775 -13.166 -11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.526 -12.774 -10.337 1.00 0.00 H new ATOM 505 N ASP A 33 61.544 -13.073 -7.834 1.00 0.00 N ATOM 506 CA ASP A 33 62.820 -13.535 -7.203 1.00 0.00 C ATOM 507 C ASP A 33 62.645 -13.693 -5.683 1.00 0.00 C ATOM 508 O ASP A 33 63.247 -14.559 -5.075 1.00 0.00 O ATOM 509 CB ASP A 33 63.870 -12.458 -7.538 1.00 0.00 C ATOM 510 CG ASP A 33 63.438 -11.093 -6.992 1.00 0.00 C ATOM 511 OD1 ASP A 33 62.718 -10.399 -7.691 1.00 0.00 O ATOM 512 OD2 ASP A 33 63.842 -10.763 -5.888 1.00 0.00 O ATOM 0 H ASP A 33 61.558 -12.117 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 33 63.127 -14.511 -7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 33 64.834 -12.737 -7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 33 64.004 -12.397 -8.618 1.00 0.00 H new ATOM 517 N GLY A 34 61.821 -12.879 -5.064 1.00 0.00 N ATOM 518 CA GLY A 34 61.612 -13.010 -3.589 1.00 0.00 C ATOM 519 C GLY A 34 61.618 -11.632 -2.921 1.00 0.00 C ATOM 520 O GLY A 34 60.798 -11.352 -2.073 1.00 0.00 O ATOM 0 H GLY A 34 61.288 -12.135 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.664 -13.511 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.396 -13.633 -3.159 1.00 0.00 H new ATOM 524 N CYS A 35 62.536 -10.773 -3.289 1.00 0.00 N ATOM 525 CA CYS A 35 62.590 -9.413 -2.661 1.00 0.00 C ATOM 526 C CYS A 35 61.664 -8.437 -3.402 1.00 0.00 C ATOM 527 O CYS A 35 61.298 -8.660 -4.539 1.00 0.00 O ATOM 528 CB CYS A 35 64.051 -8.978 -2.792 1.00 0.00 C ATOM 529 SG CYS A 35 65.081 -10.004 -1.714 1.00 0.00 S ATOM 0 H CYS A 35 63.250 -10.952 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 35 62.258 -9.426 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.379 -9.074 -3.827 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.155 -7.927 -2.521 1.00 0.00 H new ATOM 0 HG CYS A 35 66.324 -9.638 -1.825 1.00 0.00 H new ATOM 535 N ILE A 36 61.281 -7.358 -2.761 1.00 0.00 N ATOM 536 CA ILE A 36 60.374 -6.367 -3.426 1.00 0.00 C ATOM 537 C ILE A 36 61.115 -5.647 -4.564 1.00 0.00 C ATOM 538 O ILE A 36 62.030 -4.875 -4.338 1.00 0.00 O ATOM 539 CB ILE A 36 59.966 -5.383 -2.314 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.744 -5.933 -1.574 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.613 -4.015 -2.911 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.712 -5.373 -0.149 1.00 0.00 C ATOM 0 H ILE A 36 61.556 -7.121 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 36 59.502 -6.840 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 36 60.803 -5.266 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.832 -5.659 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 36 58.782 -7.022 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.327 -3.332 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.478 -3.614 -3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.782 -4.126 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.841 -5.765 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.619 -5.669 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.653 -4.285 -0.187 1.00 0.00 H new ATOM 554 N SER A 37 60.715 -5.895 -5.785 1.00 0.00 N ATOM 555 CA SER A 37 61.375 -5.229 -6.950 1.00 0.00 C ATOM 556 C SER A 37 60.506 -4.058 -7.443 1.00 0.00 C ATOM 557 O SER A 37 59.504 -3.722 -6.838 1.00 0.00 O ATOM 558 CB SER A 37 61.495 -6.320 -8.018 1.00 0.00 C ATOM 559 OG SER A 37 62.299 -5.844 -9.091 1.00 0.00 O ATOM 0 H SER A 37 59.957 -6.533 -6.027 1.00 0.00 H new ATOM 0 HA SER A 37 62.350 -4.812 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.938 -7.218 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.506 -6.596 -8.384 1.00 0.00 H new ATOM 0 HG SER A 37 62.604 -6.602 -9.633 1.00 0.00 H new ATOM 565 N THR A 38 60.888 -3.433 -8.529 1.00 0.00 N ATOM 566 CA THR A 38 60.094 -2.272 -9.061 1.00 0.00 C ATOM 567 C THR A 38 58.661 -2.693 -9.418 1.00 0.00 C ATOM 568 O THR A 38 57.702 -2.085 -8.977 1.00 0.00 O ATOM 569 CB THR A 38 60.836 -1.807 -10.322 1.00 0.00 C ATOM 570 OG1 THR A 38 61.225 -2.938 -11.095 1.00 0.00 O ATOM 571 CG2 THR A 38 62.075 -1.004 -9.922 1.00 0.00 C ATOM 0 H THR A 38 61.716 -3.674 -9.074 1.00 0.00 H new ATOM 0 HA THR A 38 60.011 -1.481 -8.316 1.00 0.00 H new ATOM 0 HB THR A 38 60.175 -1.177 -10.917 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.697 -2.638 -11.900 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.600 -0.675 -10.819 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.772 -0.134 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.737 -1.630 -9.323 1.00 0.00 H new ATOM 579 N LYS A 39 58.510 -3.716 -10.224 1.00 0.00 N ATOM 580 CA LYS A 39 57.137 -4.171 -10.629 1.00 0.00 C ATOM 581 C LYS A 39 56.288 -4.566 -9.404 1.00 0.00 C ATOM 582 O LYS A 39 55.109 -4.271 -9.351 1.00 0.00 O ATOM 583 CB LYS A 39 57.352 -5.371 -11.567 1.00 0.00 C ATOM 584 CG LYS A 39 58.192 -6.450 -10.876 1.00 0.00 C ATOM 585 CD LYS A 39 59.065 -7.157 -11.915 1.00 0.00 C ATOM 586 CE LYS A 39 60.460 -7.402 -11.333 1.00 0.00 C ATOM 587 NZ LYS A 39 60.347 -8.686 -10.585 1.00 0.00 N ATOM 0 H LYS A 39 59.278 -4.258 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 39 56.588 -3.371 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 39 56.388 -5.786 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.851 -5.042 -12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.817 -6.001 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 57.542 -7.171 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 39 58.609 -8.104 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 39 59.138 -6.550 -12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 39 61.210 -7.469 -12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 39 60.762 -6.587 -10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 61.240 -8.878 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 59.573 -8.618 -9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 60.149 -9.460 -11.251 1.00 0.00 H new ATOM 601 N GLU A 40 56.868 -5.219 -8.423 1.00 0.00 N ATOM 602 CA GLU A 40 56.074 -5.613 -7.211 1.00 0.00 C ATOM 603 C GLU A 40 55.565 -4.364 -6.477 1.00 0.00 C ATOM 604 O GLU A 40 54.408 -4.281 -6.109 1.00 0.00 O ATOM 605 CB GLU A 40 57.047 -6.397 -6.329 1.00 0.00 C ATOM 606 CG GLU A 40 57.051 -7.870 -6.754 1.00 0.00 C ATOM 607 CD GLU A 40 58.363 -8.203 -7.466 1.00 0.00 C ATOM 608 OE1 GLU A 40 59.396 -8.129 -6.828 1.00 0.00 O ATOM 609 OE2 GLU A 40 58.314 -8.529 -8.638 1.00 0.00 O ATOM 0 H GLU A 40 57.850 -5.495 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 40 55.197 -6.206 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.050 -5.980 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.756 -6.311 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.929 -8.510 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 40 56.208 -8.069 -7.415 1.00 0.00 H new ATOM 616 N LEU A 41 56.420 -3.391 -6.276 1.00 0.00 N ATOM 617 CA LEU A 41 55.995 -2.132 -5.583 1.00 0.00 C ATOM 618 C LEU A 41 54.845 -1.476 -6.361 1.00 0.00 C ATOM 619 O LEU A 41 53.753 -1.307 -5.851 1.00 0.00 O ATOM 620 CB LEU A 41 57.242 -1.238 -5.609 1.00 0.00 C ATOM 621 CG LEU A 41 57.186 -0.174 -4.504 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.749 0.311 -4.282 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.733 -0.761 -3.199 1.00 0.00 C ATOM 0 H LEU A 41 57.399 -3.414 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 41 55.638 -2.307 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 41 58.135 -1.851 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.324 -0.752 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 41 57.794 0.676 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.737 1.064 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.365 0.745 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 41 55.122 -0.531 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.693 -0.005 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 41 57.130 -1.620 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.766 -1.076 -3.347 1.00 0.00 H new ATOM 635 N GLY A 42 55.099 -1.110 -7.594 1.00 0.00 N ATOM 636 CA GLY A 42 54.051 -0.461 -8.448 1.00 0.00 C ATOM 637 C GLY A 42 52.734 -1.256 -8.406 1.00 0.00 C ATOM 638 O GLY A 42 51.666 -0.680 -8.483 1.00 0.00 O ATOM 0 H GLY A 42 56.001 -1.235 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.876 0.558 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.406 -0.393 -9.476 1.00 0.00 H new ATOM 642 N LYS A 43 52.796 -2.565 -8.287 1.00 0.00 N ATOM 643 CA LYS A 43 51.533 -3.380 -8.240 1.00 0.00 C ATOM 644 C LYS A 43 50.632 -2.901 -7.094 1.00 0.00 C ATOM 645 O LYS A 43 49.433 -2.771 -7.250 1.00 0.00 O ATOM 646 CB LYS A 43 51.983 -4.825 -7.997 1.00 0.00 C ATOM 647 CG LYS A 43 50.835 -5.785 -8.334 1.00 0.00 C ATOM 648 CD LYS A 43 49.884 -5.898 -7.136 1.00 0.00 C ATOM 649 CE LYS A 43 49.452 -7.357 -6.957 1.00 0.00 C ATOM 650 NZ LYS A 43 48.788 -7.409 -5.621 1.00 0.00 N ATOM 0 H LYS A 43 53.661 -3.102 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 43 50.957 -3.287 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.854 -5.054 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.284 -4.953 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.292 -5.425 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.233 -6.767 -8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 43 50.378 -5.541 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 43 49.010 -5.266 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 43 48.769 -7.665 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 50.309 -8.029 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 48.603 -8.400 -5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 49.409 -6.976 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 47.889 -6.888 -5.660 1.00 0.00 H new ATOM 664 N VAL A 44 51.202 -2.625 -5.950 1.00 0.00 N ATOM 665 CA VAL A 44 50.378 -2.137 -4.803 1.00 0.00 C ATOM 666 C VAL A 44 50.029 -0.658 -5.023 1.00 0.00 C ATOM 667 O VAL A 44 48.958 -0.205 -4.662 1.00 0.00 O ATOM 668 CB VAL A 44 51.259 -2.324 -3.564 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.588 -1.678 -2.349 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.444 -3.821 -3.298 1.00 0.00 C ATOM 0 H VAL A 44 52.200 -2.716 -5.760 1.00 0.00 H new ATOM 0 HA VAL A 44 49.436 -2.676 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 44 52.227 -1.854 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.218 -1.814 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.448 -0.613 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.619 -2.147 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.071 -3.959 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.472 -4.283 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.922 -4.287 -4.160 1.00 0.00 H new ATOM 680 N MET A 45 50.922 0.091 -5.632 1.00 0.00 N ATOM 681 CA MET A 45 50.647 1.538 -5.901 1.00 0.00 C ATOM 682 C MET A 45 49.368 1.678 -6.742 1.00 0.00 C ATOM 683 O MET A 45 48.439 2.362 -6.352 1.00 0.00 O ATOM 684 CB MET A 45 51.871 2.045 -6.674 1.00 0.00 C ATOM 685 CG MET A 45 53.063 2.184 -5.720 1.00 0.00 C ATOM 686 SD MET A 45 53.931 3.737 -6.061 1.00 0.00 S ATOM 687 CE MET A 45 54.529 4.049 -4.382 1.00 0.00 C ATOM 0 H MET A 45 51.831 -0.241 -5.954 1.00 0.00 H new ATOM 0 HA MET A 45 50.490 2.110 -4.986 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.116 1.353 -7.480 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.649 3.007 -7.136 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.719 2.167 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.742 1.340 -5.844 1.00 0.00 H new ATOM 0 HE1 MET A 45 55.086 4.986 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.681 4.116 -3.700 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.181 3.233 -4.070 1.00 0.00 H new ATOM 697 N ARG A 46 49.306 1.026 -7.883 1.00 0.00 N ATOM 698 CA ARG A 46 48.072 1.116 -8.735 1.00 0.00 C ATOM 699 C ARG A 46 46.857 0.563 -7.973 1.00 0.00 C ATOM 700 O ARG A 46 45.756 1.061 -8.114 1.00 0.00 O ATOM 701 CB ARG A 46 48.363 0.288 -9.995 1.00 0.00 C ATOM 702 CG ARG A 46 48.622 -1.176 -9.629 1.00 0.00 C ATOM 703 CD ARG A 46 49.227 -1.903 -10.833 1.00 0.00 C ATOM 704 NE ARG A 46 50.544 -1.240 -11.058 1.00 0.00 N ATOM 705 CZ ARG A 46 50.980 -1.035 -12.268 1.00 0.00 C ATOM 706 NH1 ARG A 46 50.365 -0.195 -13.051 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.033 -1.672 -12.690 1.00 0.00 N ATOM 0 H ARG A 46 50.051 0.439 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 46 47.835 2.147 -8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.520 0.353 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 46 49.230 0.698 -10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 46 49.299 -1.235 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.691 -1.658 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 46 49.349 -2.967 -10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 46 48.586 -1.816 -11.710 1.00 0.00 H new ATOM 0 HE ARG A 46 51.106 -0.945 -10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 46 49.540 0.304 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 46 50.708 -0.036 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 46 52.513 -2.328 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 46 52.379 -1.515 -13.637 1.00 0.00 H new ATOM 721 N MET A 47 47.051 -0.445 -7.148 1.00 0.00 N ATOM 722 CA MET A 47 45.906 -1.001 -6.356 1.00 0.00 C ATOM 723 C MET A 47 45.342 0.094 -5.437 1.00 0.00 C ATOM 724 O MET A 47 44.156 0.149 -5.173 1.00 0.00 O ATOM 725 CB MET A 47 46.498 -2.150 -5.529 1.00 0.00 C ATOM 726 CG MET A 47 45.386 -3.126 -5.135 1.00 0.00 C ATOM 727 SD MET A 47 46.125 -4.667 -4.539 1.00 0.00 S ATOM 728 CE MET A 47 46.168 -4.234 -2.782 1.00 0.00 C ATOM 0 H MET A 47 47.949 -0.903 -6.991 1.00 0.00 H new ATOM 0 HA MET A 47 45.091 -1.350 -6.990 1.00 0.00 H new ATOM 0 HB2 MET A 47 47.264 -2.669 -6.105 1.00 0.00 H new ATOM 0 HB3 MET A 47 46.983 -1.756 -4.636 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.759 -2.686 -4.360 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.742 -3.326 -5.991 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.304 -5.138 -2.188 1.00 0.00 H new ATOM 0 HE2 MET A 47 46.996 -3.549 -2.596 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.230 -3.754 -2.503 1.00 0.00 H new ATOM 738 N LEU A 48 46.194 0.975 -4.965 1.00 0.00 N ATOM 739 CA LEU A 48 45.735 2.085 -4.080 1.00 0.00 C ATOM 740 C LEU A 48 45.237 3.266 -4.932 1.00 0.00 C ATOM 741 O LEU A 48 44.223 3.866 -4.632 1.00 0.00 O ATOM 742 CB LEU A 48 46.977 2.482 -3.272 1.00 0.00 C ATOM 743 CG LEU A 48 46.650 3.670 -2.363 1.00 0.00 C ATOM 744 CD1 LEU A 48 46.065 3.164 -1.042 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.928 4.464 -2.081 1.00 0.00 C ATOM 0 H LEU A 48 47.195 0.969 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 48 44.908 1.791 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.317 1.637 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 48 47.792 2.743 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 48 45.922 4.312 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.834 4.012 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 48 45.154 2.600 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 48 46.791 2.519 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.696 5.310 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.656 3.819 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 48 48.344 4.829 -3.020 1.00 0.00 H new ATOM 757 N GLY A 49 45.939 3.604 -5.991 1.00 0.00 N ATOM 758 CA GLY A 49 45.488 4.745 -6.848 1.00 0.00 C ATOM 759 C GLY A 49 46.570 5.124 -7.869 1.00 0.00 C ATOM 760 O GLY A 49 46.377 4.989 -9.062 1.00 0.00 O ATOM 0 H GLY A 49 46.796 3.143 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.570 4.473 -7.369 1.00 0.00 H new ATOM 0 HA3 GLY A 49 45.256 5.606 -6.221 1.00 0.00 H new ATOM 764 N GLN A 50 47.697 5.616 -7.411 1.00 0.00 N ATOM 765 CA GLN A 50 48.790 6.028 -8.358 1.00 0.00 C ATOM 766 C GLN A 50 49.256 4.843 -9.216 1.00 0.00 C ATOM 767 O GLN A 50 49.440 3.748 -8.728 1.00 0.00 O ATOM 768 CB GLN A 50 49.929 6.524 -7.462 1.00 0.00 C ATOM 769 CG GLN A 50 49.779 8.032 -7.238 1.00 0.00 C ATOM 770 CD GLN A 50 49.918 8.344 -5.748 1.00 0.00 C ATOM 771 OE1 GLN A 50 50.958 8.780 -5.303 1.00 0.00 O ATOM 772 NE2 GLN A 50 48.907 8.138 -4.952 1.00 0.00 N ATOM 0 H GLN A 50 47.910 5.751 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 50 48.450 6.794 -9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 50 49.910 5.999 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 50 50.892 6.308 -7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 50 50.537 8.572 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 50 48.808 8.369 -7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 50 48.031 7.771 -5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 50 48.992 8.344 -3.957 1.00 0.00 H new ATOM 781 N ASN A 51 49.450 5.060 -10.495 1.00 0.00 N ATOM 782 CA ASN A 51 49.904 3.949 -11.391 1.00 0.00 C ATOM 783 C ASN A 51 51.267 4.282 -12.022 1.00 0.00 C ATOM 784 O ASN A 51 51.342 4.671 -13.173 1.00 0.00 O ATOM 785 CB ASN A 51 48.817 3.841 -12.467 1.00 0.00 C ATOM 786 CG ASN A 51 47.884 2.678 -12.136 1.00 0.00 C ATOM 787 OD1 ASN A 51 48.064 1.582 -12.627 1.00 0.00 O ATOM 788 ND2 ASN A 51 46.888 2.867 -11.315 1.00 0.00 N ATOM 0 H ASN A 51 49.314 5.959 -10.957 1.00 0.00 H new ATOM 0 HA ASN A 51 50.037 3.013 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 51 48.251 4.771 -12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.273 3.688 -13.445 1.00 0.00 H new ATOM 0 HD21 ASN A 51 46.262 2.095 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 51 46.735 3.787 -10.902 1.00 0.00 H new ATOM 795 N PRO A 52 52.307 4.117 -11.237 1.00 0.00 N ATOM 796 CA PRO A 52 53.682 4.397 -11.721 1.00 0.00 C ATOM 797 C PRO A 52 54.233 3.205 -12.520 1.00 0.00 C ATOM 798 O PRO A 52 53.723 2.101 -12.440 1.00 0.00 O ATOM 799 CB PRO A 52 54.475 4.588 -10.434 1.00 0.00 C ATOM 800 CG PRO A 52 53.731 3.818 -9.385 1.00 0.00 C ATOM 801 CD PRO A 52 52.301 3.664 -9.841 1.00 0.00 C ATOM 0 HA PRO A 52 53.731 5.257 -12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 52 55.494 4.218 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 52 54.546 5.643 -10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.189 2.841 -9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.771 4.340 -8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 52 51.969 2.629 -9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.624 4.264 -9.232 1.00 0.00 H new ATOM 809 N THR A 53 55.280 3.418 -13.277 1.00 0.00 N ATOM 810 CA THR A 53 55.879 2.299 -14.069 1.00 0.00 C ATOM 811 C THR A 53 57.042 1.673 -13.288 1.00 0.00 C ATOM 812 O THR A 53 57.573 2.283 -12.378 1.00 0.00 O ATOM 813 CB THR A 53 56.396 2.944 -15.360 1.00 0.00 C ATOM 814 OG1 THR A 53 57.226 4.051 -15.038 1.00 0.00 O ATOM 815 CG2 THR A 53 55.217 3.417 -16.215 1.00 0.00 C ATOM 0 H THR A 53 55.747 4.319 -13.381 1.00 0.00 H new ATOM 0 HA THR A 53 55.157 1.508 -14.273 1.00 0.00 H new ATOM 0 HB THR A 53 56.972 2.209 -15.922 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.558 4.462 -15.863 1.00 0.00 H new ATOM 0 HG21 THR A 53 55.592 3.874 -17.131 1.00 0.00 H new ATOM 0 HG22 THR A 53 54.585 2.565 -16.467 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.633 4.149 -15.657 1.00 0.00 H new ATOM 823 N PRO A 54 57.415 0.477 -13.678 1.00 0.00 N ATOM 824 CA PRO A 54 58.542 -0.228 -13.007 1.00 0.00 C ATOM 825 C PRO A 54 59.860 0.520 -13.255 1.00 0.00 C ATOM 826 O PRO A 54 60.731 0.553 -12.406 1.00 0.00 O ATOM 827 CB PRO A 54 58.536 -1.612 -13.655 1.00 0.00 C ATOM 828 CG PRO A 54 57.864 -1.411 -14.975 1.00 0.00 C ATOM 829 CD PRO A 54 56.845 -0.322 -14.772 1.00 0.00 C ATOM 0 HA PRO A 54 58.440 -0.285 -11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 54 59.549 -1.995 -13.781 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.996 -2.334 -13.042 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.587 -1.128 -15.740 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.387 -2.331 -15.312 1.00 0.00 H new ATOM 0 HD2 PRO A 54 56.707 0.273 -15.675 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.869 -0.729 -14.506 1.00 0.00 H new ATOM 837 N GLU A 55 59.998 1.144 -14.400 1.00 0.00 N ATOM 838 CA GLU A 55 61.243 1.919 -14.694 1.00 0.00 C ATOM 839 C GLU A 55 61.324 3.130 -13.755 1.00 0.00 C ATOM 840 O GLU A 55 62.382 3.484 -13.272 1.00 0.00 O ATOM 841 CB GLU A 55 61.102 2.374 -16.148 1.00 0.00 C ATOM 842 CG GLU A 55 61.466 1.217 -17.085 1.00 0.00 C ATOM 843 CD GLU A 55 60.292 0.236 -17.195 1.00 0.00 C ATOM 844 OE1 GLU A 55 59.177 0.689 -17.406 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.529 -0.952 -17.058 1.00 0.00 O ATOM 0 H GLU A 55 59.301 1.150 -15.144 1.00 0.00 H new ATOM 0 HA GLU A 55 62.148 1.329 -14.547 1.00 0.00 H new ATOM 0 HB2 GLU A 55 60.081 2.703 -16.339 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.753 3.228 -16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.720 1.604 -18.072 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.348 0.699 -16.710 1.00 0.00 H new ATOM 852 N GLU A 56 60.201 3.756 -13.485 1.00 0.00 N ATOM 853 CA GLU A 56 60.188 4.936 -12.567 1.00 0.00 C ATOM 854 C GLU A 56 60.363 4.474 -11.111 1.00 0.00 C ATOM 855 O GLU A 56 61.077 5.090 -10.342 1.00 0.00 O ATOM 856 CB GLU A 56 58.812 5.583 -12.777 1.00 0.00 C ATOM 857 CG GLU A 56 58.605 6.719 -11.767 1.00 0.00 C ATOM 858 CD GLU A 56 57.350 6.443 -10.938 1.00 0.00 C ATOM 859 OE1 GLU A 56 57.466 5.768 -9.929 1.00 0.00 O ATOM 860 OE2 GLU A 56 56.294 6.909 -11.329 1.00 0.00 O ATOM 0 H GLU A 56 59.290 3.497 -13.864 1.00 0.00 H new ATOM 0 HA GLU A 56 60.998 5.636 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 56 58.735 5.970 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 56 58.028 4.835 -12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 56 59.474 6.802 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 56 58.507 7.671 -12.289 1.00 0.00 H new ATOM 867 N LEU A 57 59.724 3.389 -10.729 1.00 0.00 N ATOM 868 CA LEU A 57 59.864 2.889 -9.322 1.00 0.00 C ATOM 869 C LEU A 57 61.322 2.501 -9.019 1.00 0.00 C ATOM 870 O LEU A 57 61.719 2.441 -7.870 1.00 0.00 O ATOM 871 CB LEU A 57 58.952 1.663 -9.223 1.00 0.00 C ATOM 872 CG LEU A 57 57.486 2.108 -9.207 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.625 1.064 -9.917 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.007 2.251 -7.760 1.00 0.00 C ATOM 0 H LEU A 57 59.115 2.832 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 57 59.588 3.657 -8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.130 0.996 -10.067 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.181 1.100 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 57 57.398 3.066 -9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.583 1.383 -9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 57 56.959 0.957 -10.949 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.718 0.106 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.964 2.568 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.099 1.292 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.616 2.995 -7.247 1.00 0.00 H new ATOM 886 N GLN A 58 62.129 2.252 -10.031 1.00 0.00 N ATOM 887 CA GLN A 58 63.558 1.891 -9.773 1.00 0.00 C ATOM 888 C GLN A 58 64.239 3.043 -9.014 1.00 0.00 C ATOM 889 O GLN A 58 65.032 2.820 -8.121 1.00 0.00 O ATOM 890 CB GLN A 58 64.168 1.636 -11.168 1.00 0.00 C ATOM 891 CG GLN A 58 65.259 2.660 -11.516 1.00 0.00 C ATOM 892 CD GLN A 58 66.640 2.042 -11.285 1.00 0.00 C ATOM 893 OE1 GLN A 58 67.217 1.467 -12.183 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.197 2.133 -10.110 1.00 0.00 N ATOM 0 H GLN A 58 61.859 2.284 -11.014 1.00 0.00 H new ATOM 0 HA GLN A 58 63.684 1.007 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.590 0.632 -11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.381 1.676 -11.921 1.00 0.00 H new ATOM 0 HG2 GLN A 58 65.159 2.973 -12.555 1.00 0.00 H new ATOM 0 HG3 GLN A 58 65.142 3.553 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.714 2.616 -9.353 1.00 0.00 H new ATOM 0 HE22 GLN A 58 68.116 1.721 -9.948 1.00 0.00 H new ATOM 903 N GLU A 59 63.902 4.270 -9.343 1.00 0.00 N ATOM 904 CA GLU A 59 64.495 5.436 -8.616 1.00 0.00 C ATOM 905 C GLU A 59 63.864 5.525 -7.222 1.00 0.00 C ATOM 906 O GLU A 59 64.518 5.861 -6.253 1.00 0.00 O ATOM 907 CB GLU A 59 64.134 6.668 -9.451 1.00 0.00 C ATOM 908 CG GLU A 59 65.191 6.882 -10.539 1.00 0.00 C ATOM 909 CD GLU A 59 64.570 6.638 -11.917 1.00 0.00 C ATOM 910 OE1 GLU A 59 64.583 5.502 -12.358 1.00 0.00 O ATOM 911 OE2 GLU A 59 64.095 7.594 -12.508 1.00 0.00 O ATOM 0 H GLU A 59 63.243 4.512 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 59 65.574 5.350 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.152 6.536 -9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 59 64.074 7.548 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.585 7.896 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 59 66.030 6.204 -10.383 1.00 0.00 H new ATOM 918 N MET A 60 62.593 5.202 -7.120 1.00 0.00 N ATOM 919 CA MET A 60 61.900 5.239 -5.794 1.00 0.00 C ATOM 920 C MET A 60 62.610 4.295 -4.813 1.00 0.00 C ATOM 921 O MET A 60 62.831 4.633 -3.667 1.00 0.00 O ATOM 922 CB MET A 60 60.468 4.758 -6.072 1.00 0.00 C ATOM 923 CG MET A 60 59.750 5.767 -6.977 1.00 0.00 C ATOM 924 SD MET A 60 58.374 6.523 -6.075 1.00 0.00 S ATOM 925 CE MET A 60 57.094 5.345 -6.575 1.00 0.00 C ATOM 0 H MET A 60 62.006 4.914 -7.903 1.00 0.00 H new ATOM 0 HA MET A 60 61.907 6.233 -5.347 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.489 3.778 -6.549 1.00 0.00 H new ATOM 0 HB3 MET A 60 59.924 4.644 -5.134 1.00 0.00 H new ATOM 0 HG2 MET A 60 60.448 6.536 -7.306 1.00 0.00 H new ATOM 0 HG3 MET A 60 59.380 5.268 -7.873 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.113 5.808 -6.470 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.250 5.058 -7.615 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.147 4.459 -5.942 1.00 0.00 H new ATOM 935 N ILE A 61 62.983 3.121 -5.266 1.00 0.00 N ATOM 936 CA ILE A 61 63.696 2.156 -4.370 1.00 0.00 C ATOM 937 C ILE A 61 65.166 2.581 -4.206 1.00 0.00 C ATOM 938 O ILE A 61 65.712 2.538 -3.120 1.00 0.00 O ATOM 939 CB ILE A 61 63.579 0.792 -5.078 1.00 0.00 C ATOM 940 CG1 ILE A 61 62.283 0.106 -4.627 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.783 -0.096 -4.729 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.181 -1.298 -5.247 1.00 0.00 C ATOM 0 H ILE A 61 62.824 2.790 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 61 63.271 2.118 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 61 63.563 0.946 -6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.261 0.034 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.423 0.706 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.686 -1.056 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.702 0.394 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.816 -0.257 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.257 -1.774 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.182 -1.217 -6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.032 -1.899 -4.928 1.00 0.00 H new ATOM 954 N ASP A 62 65.805 2.992 -5.279 1.00 0.00 N ATOM 955 CA ASP A 62 67.241 3.424 -5.197 1.00 0.00 C ATOM 956 C ASP A 62 67.407 4.592 -4.212 1.00 0.00 C ATOM 957 O ASP A 62 68.431 4.725 -3.570 1.00 0.00 O ATOM 958 CB ASP A 62 67.605 3.867 -6.619 1.00 0.00 C ATOM 959 CG ASP A 62 68.515 2.824 -7.272 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.132 1.665 -7.306 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.579 3.202 -7.731 1.00 0.00 O ATOM 0 H ASP A 62 65.393 3.047 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 62 67.885 2.621 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.700 3.995 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.107 4.834 -6.591 1.00 0.00 H new ATOM 966 N GLU A 63 66.404 5.430 -4.092 1.00 0.00 N ATOM 967 CA GLU A 63 66.484 6.595 -3.151 1.00 0.00 C ATOM 968 C GLU A 63 66.857 6.135 -1.730 1.00 0.00 C ATOM 969 O GLU A 63 67.553 6.827 -1.012 1.00 0.00 O ATOM 970 CB GLU A 63 65.077 7.201 -3.165 1.00 0.00 C ATOM 971 CG GLU A 63 65.099 8.583 -2.502 1.00 0.00 C ATOM 972 CD GLU A 63 63.818 8.781 -1.687 1.00 0.00 C ATOM 973 OE1 GLU A 63 63.804 8.375 -0.536 1.00 0.00 O ATOM 974 OE2 GLU A 63 62.874 9.334 -2.227 1.00 0.00 O ATOM 0 H GLU A 63 65.528 5.357 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 63 67.250 7.309 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.718 7.286 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.384 6.546 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.972 8.673 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.183 9.361 -3.261 1.00 0.00 H new ATOM 981 N VAL A 64 66.400 4.977 -1.322 1.00 0.00 N ATOM 982 CA VAL A 64 66.730 4.478 0.050 1.00 0.00 C ATOM 983 C VAL A 64 67.523 3.154 -0.014 1.00 0.00 C ATOM 984 O VAL A 64 67.627 2.443 0.968 1.00 0.00 O ATOM 985 CB VAL A 64 65.364 4.280 0.727 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.654 3.060 0.132 1.00 0.00 C ATOM 987 CG2 VAL A 64 65.557 4.069 2.230 1.00 0.00 C ATOM 0 H VAL A 64 65.813 4.356 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 64 67.364 5.173 0.601 1.00 0.00 H new ATOM 0 HB VAL A 64 64.756 5.169 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.687 2.928 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 64 64.505 3.211 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.264 2.171 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.586 3.929 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 64 66.174 3.186 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 66.049 4.942 2.660 1.00 0.00 H new ATOM 997 N ASP A 65 68.090 2.820 -1.153 1.00 0.00 N ATOM 998 CA ASP A 65 68.874 1.548 -1.255 1.00 0.00 C ATOM 999 C ASP A 65 70.362 1.819 -0.965 1.00 0.00 C ATOM 1000 O ASP A 65 70.796 1.726 0.168 1.00 0.00 O ATOM 1001 CB ASP A 65 68.653 1.049 -2.694 1.00 0.00 C ATOM 1002 CG ASP A 65 69.298 -0.331 -2.866 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.689 -1.302 -2.452 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.389 -0.395 -3.408 1.00 0.00 O ATOM 0 H ASP A 65 68.043 3.371 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 65 68.554 0.799 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.586 0.992 -2.910 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.085 1.754 -3.404 1.00 0.00 H new ATOM 1009 N GLU A 66 71.141 2.163 -1.973 1.00 0.00 N ATOM 1010 CA GLU A 66 72.602 2.450 -1.762 1.00 0.00 C ATOM 1011 C GLU A 66 73.274 1.348 -0.916 1.00 0.00 C ATOM 1012 O GLU A 66 74.115 1.627 -0.080 1.00 0.00 O ATOM 1013 CB GLU A 66 72.635 3.801 -1.030 1.00 0.00 C ATOM 1014 CG GLU A 66 73.047 4.908 -2.007 1.00 0.00 C ATOM 1015 CD GLU A 66 72.801 6.278 -1.368 1.00 0.00 C ATOM 1016 OE1 GLU A 66 71.698 6.783 -1.498 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.717 6.800 -0.753 1.00 0.00 O ATOM 0 H GLU A 66 70.823 2.257 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 66 73.150 2.478 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.654 4.021 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.337 3.757 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 74.100 4.802 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 66 72.478 4.820 -2.932 1.00 0.00 H new ATOM 1024 N ASP A 67 72.912 0.102 -1.124 1.00 0.00 N ATOM 1025 CA ASP A 67 73.533 -1.004 -0.323 1.00 0.00 C ATOM 1026 C ASP A 67 74.369 -1.945 -1.214 1.00 0.00 C ATOM 1027 O ASP A 67 75.367 -2.487 -0.776 1.00 0.00 O ATOM 1028 CB ASP A 67 72.349 -1.739 0.334 1.00 0.00 C ATOM 1029 CG ASP A 67 71.780 -2.812 -0.598 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.341 -2.464 -1.678 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.774 -3.965 -0.207 1.00 0.00 O ATOM 0 H ASP A 67 72.218 -0.196 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 67 74.230 -0.623 0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 67 72.675 -2.199 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 67 71.568 -1.022 0.588 1.00 0.00 H new ATOM 1036 N GLY A 68 73.978 -2.145 -2.453 1.00 0.00 N ATOM 1037 CA GLY A 68 74.764 -3.050 -3.349 1.00 0.00 C ATOM 1038 C GLY A 68 73.826 -3.902 -4.216 1.00 0.00 C ATOM 1039 O GLY A 68 74.169 -4.268 -5.323 1.00 0.00 O ATOM 0 H GLY A 68 73.153 -1.722 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 68 75.420 -2.458 -3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.403 -3.699 -2.750 1.00 0.00 H new ATOM 1043 N SER A 69 72.657 -4.232 -3.724 1.00 0.00 N ATOM 1044 CA SER A 69 71.716 -5.075 -4.531 1.00 0.00 C ATOM 1045 C SER A 69 70.728 -4.217 -5.338 1.00 0.00 C ATOM 1046 O SER A 69 70.277 -4.632 -6.388 1.00 0.00 O ATOM 1047 CB SER A 69 70.963 -5.949 -3.520 1.00 0.00 C ATOM 1048 OG SER A 69 70.505 -5.150 -2.434 1.00 0.00 O ATOM 0 H SER A 69 72.314 -3.957 -2.804 1.00 0.00 H new ATOM 0 HA SER A 69 72.264 -5.672 -5.260 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.118 -6.436 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.617 -6.739 -3.151 1.00 0.00 H new ATOM 0 HG SER A 69 70.024 -5.714 -1.793 1.00 0.00 H new ATOM 1054 N GLY A 70 70.369 -3.041 -4.869 1.00 0.00 N ATOM 1055 CA GLY A 70 69.396 -2.202 -5.640 1.00 0.00 C ATOM 1056 C GLY A 70 67.959 -2.541 -5.213 1.00 0.00 C ATOM 1057 O GLY A 70 67.136 -1.666 -5.037 1.00 0.00 O ATOM 0 H GLY A 70 70.704 -2.632 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.596 -1.145 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.518 -2.378 -6.709 1.00 0.00 H new ATOM 1061 N THR A 71 67.656 -3.807 -5.048 1.00 0.00 N ATOM 1062 CA THR A 71 66.273 -4.217 -4.631 1.00 0.00 C ATOM 1063 C THR A 71 66.023 -3.840 -3.162 1.00 0.00 C ATOM 1064 O THR A 71 66.945 -3.746 -2.374 1.00 0.00 O ATOM 1065 CB THR A 71 66.239 -5.740 -4.811 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.679 -6.070 -6.122 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.814 -6.255 -4.614 1.00 0.00 C ATOM 0 H THR A 71 68.309 -4.579 -5.184 1.00 0.00 H new ATOM 0 HA THR A 71 65.501 -3.720 -5.219 1.00 0.00 H new ATOM 0 HB THR A 71 66.895 -6.202 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.660 -7.043 -6.238 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.797 -7.337 -4.743 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.472 -6.004 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.155 -5.792 -5.348 1.00 0.00 H new ATOM 1075 N VAL A 72 64.783 -3.621 -2.790 1.00 0.00 N ATOM 1076 CA VAL A 72 64.475 -3.240 -1.371 1.00 0.00 C ATOM 1077 C VAL A 72 64.532 -4.468 -0.445 1.00 0.00 C ATOM 1078 O VAL A 72 64.050 -5.536 -0.779 1.00 0.00 O ATOM 1079 CB VAL A 72 63.059 -2.637 -1.409 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.298 -2.962 -0.116 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.166 -1.118 -1.546 1.00 0.00 C ATOM 0 H VAL A 72 63.972 -3.689 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 72 65.203 -2.531 -0.976 1.00 0.00 H new ATOM 0 HB VAL A 72 62.521 -3.062 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.300 -2.527 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.218 -4.043 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.835 -2.547 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 72 62.167 -0.684 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.714 -0.714 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.694 -0.872 -2.467 1.00 0.00 H new ATOM 1091 N ASP A 73 65.109 -4.309 0.724 1.00 0.00 N ATOM 1092 CA ASP A 73 65.195 -5.448 1.696 1.00 0.00 C ATOM 1093 C ASP A 73 64.158 -5.256 2.821 1.00 0.00 C ATOM 1094 O ASP A 73 63.223 -4.489 2.682 1.00 0.00 O ATOM 1095 CB ASP A 73 66.625 -5.403 2.269 1.00 0.00 C ATOM 1096 CG ASP A 73 67.660 -5.108 1.171 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.519 -5.623 0.074 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.588 -4.370 1.453 1.00 0.00 O ATOM 0 H ASP A 73 65.526 -3.436 1.048 1.00 0.00 H new ATOM 0 HA ASP A 73 64.987 -6.406 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.685 -4.637 3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.858 -6.356 2.745 1.00 0.00 H new ATOM 1103 N PHE A 74 64.315 -5.936 3.937 1.00 0.00 N ATOM 1104 CA PHE A 74 63.331 -5.771 5.060 1.00 0.00 C ATOM 1105 C PHE A 74 63.623 -4.475 5.828 1.00 0.00 C ATOM 1106 O PHE A 74 62.828 -3.554 5.821 1.00 0.00 O ATOM 1107 CB PHE A 74 63.519 -6.998 5.964 1.00 0.00 C ATOM 1108 CG PHE A 74 62.653 -6.864 7.203 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.310 -6.474 7.089 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.198 -7.125 8.468 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.516 -6.348 8.236 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.402 -6.999 9.614 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.062 -6.610 9.498 1.00 0.00 C ATOM 0 H PHE A 74 65.075 -6.592 4.118 1.00 0.00 H new ATOM 0 HA PHE A 74 62.305 -5.703 4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.254 -7.905 5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.566 -7.093 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.888 -6.271 6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.232 -7.423 8.559 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.482 -6.049 8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.822 -7.202 10.588 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.450 -6.512 10.382 1.00 0.00 H new ATOM 1123 N ASP A 75 64.760 -4.391 6.481 1.00 0.00 N ATOM 1124 CA ASP A 75 65.102 -3.143 7.235 1.00 0.00 C ATOM 1125 C ASP A 75 65.150 -1.948 6.267 1.00 0.00 C ATOM 1126 O ASP A 75 64.814 -0.835 6.629 1.00 0.00 O ATOM 1127 CB ASP A 75 66.472 -3.411 7.868 1.00 0.00 C ATOM 1128 CG ASP A 75 66.273 -3.959 9.284 1.00 0.00 C ATOM 1129 OD1 ASP A 75 66.046 -5.151 9.410 1.00 0.00 O ATOM 1130 OD2 ASP A 75 66.338 -3.176 10.218 1.00 0.00 O ATOM 0 H ASP A 75 65.462 -5.130 6.524 1.00 0.00 H new ATOM 0 HA ASP A 75 64.363 -2.898 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.032 -4.125 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.058 -2.492 7.900 1.00 0.00 H new ATOM 1135 N GLU A 76 65.530 -2.180 5.028 1.00 0.00 N ATOM 1136 CA GLU A 76 65.557 -1.068 4.024 1.00 0.00 C ATOM 1137 C GLU A 76 64.118 -0.590 3.776 1.00 0.00 C ATOM 1138 O GLU A 76 63.862 0.587 3.610 1.00 0.00 O ATOM 1139 CB GLU A 76 66.150 -1.687 2.754 1.00 0.00 C ATOM 1140 CG GLU A 76 67.170 -0.727 2.131 1.00 0.00 C ATOM 1141 CD GLU A 76 67.810 -1.380 0.901 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.074 -1.850 0.049 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.027 -1.404 0.831 1.00 0.00 O ATOM 0 H GLU A 76 65.822 -3.090 4.672 1.00 0.00 H new ATOM 0 HA GLU A 76 66.141 -0.209 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 76 66.630 -2.636 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.356 -1.901 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 76 66.681 0.205 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.938 -0.473 2.861 1.00 0.00 H new ATOM 1150 N PHE A 77 63.176 -1.503 3.781 1.00 0.00 N ATOM 1151 CA PHE A 77 61.745 -1.122 3.586 1.00 0.00 C ATOM 1152 C PHE A 77 61.258 -0.362 4.830 1.00 0.00 C ATOM 1153 O PHE A 77 60.512 0.592 4.730 1.00 0.00 O ATOM 1154 CB PHE A 77 61.002 -2.458 3.418 1.00 0.00 C ATOM 1155 CG PHE A 77 59.522 -2.285 3.689 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.675 -1.815 2.680 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.997 -2.604 4.950 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.306 -1.662 2.929 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.627 -2.451 5.197 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.782 -1.980 4.187 1.00 0.00 C ATOM 0 H PHE A 77 63.340 -2.501 3.913 1.00 0.00 H new ATOM 0 HA PHE A 77 61.582 -0.471 2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.150 -2.837 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.418 -3.199 4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.077 -1.570 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.649 -2.968 5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.653 -1.298 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.223 -2.697 6.168 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.726 -1.862 4.378 1.00 0.00 H new ATOM 1170 N LEU A 78 61.693 -0.776 5.999 1.00 0.00 N ATOM 1171 CA LEU A 78 61.278 -0.080 7.259 1.00 0.00 C ATOM 1172 C LEU A 78 61.694 1.398 7.213 1.00 0.00 C ATOM 1173 O LEU A 78 60.918 2.275 7.545 1.00 0.00 O ATOM 1174 CB LEU A 78 62.010 -0.821 8.383 1.00 0.00 C ATOM 1175 CG LEU A 78 61.259 -2.115 8.712 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.204 -3.100 9.400 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.087 -1.799 9.643 1.00 0.00 C ATOM 0 H LEU A 78 62.320 -1.569 6.134 1.00 0.00 H new ATOM 0 HA LEU A 78 60.198 -0.095 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.032 -1.048 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.074 -0.189 9.269 1.00 0.00 H new ATOM 0 HG LEU A 78 60.885 -2.560 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 78 61.666 -4.019 9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.039 -3.326 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 78 62.582 -2.658 10.322 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.551 -2.719 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.464 -1.353 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.410 -1.100 9.151 1.00 0.00 H new ATOM 1189 N VAL A 79 62.903 1.682 6.783 1.00 0.00 N ATOM 1190 CA VAL A 79 63.352 3.110 6.692 1.00 0.00 C ATOM 1191 C VAL A 79 62.652 3.815 5.510 1.00 0.00 C ATOM 1192 O VAL A 79 62.583 5.027 5.458 1.00 0.00 O ATOM 1193 CB VAL A 79 64.878 3.054 6.496 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.225 2.533 5.097 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.464 4.458 6.674 1.00 0.00 C ATOM 0 H VAL A 79 63.594 0.991 6.493 1.00 0.00 H new ATOM 0 HA VAL A 79 63.096 3.681 7.585 1.00 0.00 H new ATOM 0 HB VAL A 79 65.301 2.375 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.308 2.501 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.817 1.530 4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 79 64.797 3.196 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.545 4.421 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 79 65.026 5.131 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.239 4.822 7.676 1.00 0.00 H new ATOM 1205 N MET A 80 62.120 3.061 4.573 1.00 0.00 N ATOM 1206 CA MET A 80 61.408 3.681 3.411 1.00 0.00 C ATOM 1207 C MET A 80 60.016 4.161 3.850 1.00 0.00 C ATOM 1208 O MET A 80 59.557 5.213 3.443 1.00 0.00 O ATOM 1209 CB MET A 80 61.292 2.563 2.369 1.00 0.00 C ATOM 1210 CG MET A 80 60.909 3.158 1.014 1.00 0.00 C ATOM 1211 SD MET A 80 61.483 2.064 -0.308 1.00 0.00 S ATOM 1212 CE MET A 80 60.713 2.959 -1.676 1.00 0.00 C ATOM 0 H MET A 80 62.150 2.041 4.565 1.00 0.00 H new ATOM 0 HA MET A 80 61.936 4.548 3.013 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.239 2.029 2.288 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.542 1.837 2.683 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.828 3.284 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.353 4.147 0.901 1.00 0.00 H new ATOM 0 HE1 MET A 80 60.068 2.282 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.119 3.784 -1.283 1.00 0.00 H new ATOM 0 HE3 MET A 80 61.487 3.351 -2.336 1.00 0.00 H new ATOM 1222 N MET A 81 59.347 3.399 4.687 1.00 0.00 N ATOM 1223 CA MET A 81 57.989 3.803 5.171 1.00 0.00 C ATOM 1224 C MET A 81 58.070 5.137 5.924 1.00 0.00 C ATOM 1225 O MET A 81 57.272 6.029 5.708 1.00 0.00 O ATOM 1226 CB MET A 81 57.547 2.680 6.120 1.00 0.00 C ATOM 1227 CG MET A 81 57.478 1.343 5.369 1.00 0.00 C ATOM 1228 SD MET A 81 56.783 1.591 3.714 1.00 0.00 S ATOM 1229 CE MET A 81 55.051 1.717 4.213 1.00 0.00 C ATOM 0 H MET A 81 59.687 2.511 5.056 1.00 0.00 H new ATOM 0 HA MET A 81 57.286 3.941 4.349 1.00 0.00 H new ATOM 0 HB2 MET A 81 58.247 2.602 6.952 1.00 0.00 H new ATOM 0 HB3 MET A 81 56.572 2.917 6.545 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.475 0.909 5.292 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.865 0.635 5.927 1.00 0.00 H new ATOM 0 HE1 MET A 81 54.460 2.100 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 81 54.682 0.732 4.497 1.00 0.00 H new ATOM 0 HE3 MET A 81 54.965 2.395 5.062 1.00 0.00 H new ATOM 1239 N VAL A 82 59.036 5.282 6.801 1.00 0.00 N ATOM 1240 CA VAL A 82 59.172 6.564 7.559 1.00 0.00 C ATOM 1241 C VAL A 82 59.634 7.689 6.617 1.00 0.00 C ATOM 1242 O VAL A 82 59.286 8.840 6.801 1.00 0.00 O ATOM 1243 CB VAL A 82 60.204 6.283 8.668 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.633 6.439 8.135 1.00 0.00 C ATOM 1245 CG2 VAL A 82 59.985 7.264 9.822 1.00 0.00 C ATOM 0 H VAL A 82 59.732 4.571 7.023 1.00 0.00 H new ATOM 0 HA VAL A 82 58.227 6.895 7.988 1.00 0.00 H new ATOM 0 HB VAL A 82 60.072 5.258 9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.344 6.236 8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 82 61.795 5.736 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.777 7.457 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 82 60.713 7.068 10.609 1.00 0.00 H new ATOM 0 HG22 VAL A 82 60.107 8.285 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 82 58.978 7.138 10.220 1.00 0.00 H new ATOM 1255 N ARG A 83 60.396 7.361 5.597 1.00 0.00 N ATOM 1256 CA ARG A 83 60.854 8.409 4.632 1.00 0.00 C ATOM 1257 C ARG A 83 59.642 8.975 3.883 1.00 0.00 C ATOM 1258 O ARG A 83 59.500 10.173 3.730 1.00 0.00 O ATOM 1259 CB ARG A 83 61.802 7.686 3.668 1.00 0.00 C ATOM 1260 CG ARG A 83 63.237 7.795 4.187 1.00 0.00 C ATOM 1261 CD ARG A 83 64.179 7.022 3.261 1.00 0.00 C ATOM 1262 NE ARG A 83 65.405 7.870 3.167 1.00 0.00 N ATOM 1263 CZ ARG A 83 65.614 8.606 2.111 1.00 0.00 C ATOM 1264 NH1 ARG A 83 64.953 9.716 1.949 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.488 8.232 1.221 1.00 0.00 N ATOM 0 H ARG A 83 60.718 6.415 5.394 1.00 0.00 H new ATOM 0 HA ARG A 83 61.352 9.245 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.516 6.638 3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.730 8.124 2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.538 8.842 4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.299 7.397 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.410 6.037 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.730 6.867 2.280 1.00 0.00 H new ATOM 0 HE ARG A 83 66.081 7.873 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 83 64.271 10.010 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 83 65.117 10.291 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 83 67.008 7.364 1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 83 66.652 8.807 0.395 1.00 0.00 H new ATOM 1279 N CYS A 84 58.756 8.115 3.439 1.00 0.00 N ATOM 1280 CA CYS A 84 57.532 8.588 2.722 1.00 0.00 C ATOM 1281 C CYS A 84 56.562 9.236 3.721 1.00 0.00 C ATOM 1282 O CYS A 84 55.926 10.230 3.426 1.00 0.00 O ATOM 1283 CB CYS A 84 56.915 7.328 2.109 1.00 0.00 C ATOM 1284 SG CYS A 84 55.605 7.799 0.951 1.00 0.00 S ATOM 0 H CYS A 84 58.830 7.103 3.543 1.00 0.00 H new ATOM 0 HA CYS A 84 57.757 9.336 1.962 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.681 6.750 1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.509 6.690 2.894 1.00 0.00 H new ATOM 0 HG CYS A 84 54.484 7.934 1.595 1.00 0.00 H new ATOM 1290 N MET A 85 56.457 8.681 4.906 1.00 0.00 N ATOM 1291 CA MET A 85 55.542 9.259 5.942 1.00 0.00 C ATOM 1292 C MET A 85 56.088 10.603 6.454 1.00 0.00 C ATOM 1293 O MET A 85 55.338 11.440 6.919 1.00 0.00 O ATOM 1294 CB MET A 85 55.523 8.221 7.069 1.00 0.00 C ATOM 1295 CG MET A 85 54.408 8.555 8.066 1.00 0.00 C ATOM 1296 SD MET A 85 55.050 8.424 9.755 1.00 0.00 S ATOM 1297 CE MET A 85 55.425 6.653 9.726 1.00 0.00 C ATOM 0 H MET A 85 56.968 7.849 5.201 1.00 0.00 H new ATOM 0 HA MET A 85 54.545 9.457 5.548 1.00 0.00 H new ATOM 0 HB2 MET A 85 55.367 7.225 6.655 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.486 8.207 7.579 1.00 0.00 H new ATOM 0 HG2 MET A 85 54.033 9.562 7.885 1.00 0.00 H new ATOM 0 HG3 MET A 85 53.568 7.873 7.931 1.00 0.00 H new ATOM 0 HE1 MET A 85 55.219 6.221 10.705 1.00 0.00 H new ATOM 0 HE2 MET A 85 54.806 6.162 8.975 1.00 0.00 H new ATOM 0 HE3 MET A 85 56.477 6.508 9.480 1.00 0.00 H new ATOM 1307 N LYS A 86 57.389 10.805 6.369 1.00 0.00 N ATOM 1308 CA LYS A 86 58.022 12.081 6.843 1.00 0.00 C ATOM 1309 C LYS A 86 57.984 12.172 8.375 1.00 0.00 C ATOM 1310 O LYS A 86 56.932 12.248 8.982 1.00 0.00 O ATOM 1311 CB LYS A 86 57.214 13.220 6.205 1.00 0.00 C ATOM 1312 CG LYS A 86 58.167 14.322 5.736 1.00 0.00 C ATOM 1313 CD LYS A 86 58.530 15.224 6.920 1.00 0.00 C ATOM 1314 CE LYS A 86 59.782 16.041 6.582 1.00 0.00 C ATOM 1315 NZ LYS A 86 60.535 16.149 7.866 1.00 0.00 N ATOM 0 H LYS A 86 58.046 10.126 5.984 1.00 0.00 H new ATOM 0 HA LYS A 86 59.072 12.134 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 86 56.636 12.842 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 86 56.502 13.623 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 86 59.069 13.881 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 86 57.699 14.911 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 86 57.699 15.891 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 86 58.708 14.619 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 86 60.379 15.548 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 86 59.518 17.026 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 60.919 17.111 7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 59.895 15.949 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 61.316 15.462 7.869 1.00 0.00 H new ATOM 1329 N ASP A 87 59.134 12.165 9.001 1.00 0.00 N ATOM 1330 CA ASP A 87 59.188 12.253 10.492 1.00 0.00 C ATOM 1331 C ASP A 87 59.723 13.630 10.926 1.00 0.00 C ATOM 1332 O ASP A 87 59.754 14.566 10.146 1.00 0.00 O ATOM 1333 CB ASP A 87 60.139 11.119 10.916 1.00 0.00 C ATOM 1334 CG ASP A 87 61.592 11.483 10.583 1.00 0.00 C ATOM 1335 OD1 ASP A 87 61.923 11.514 9.408 1.00 0.00 O ATOM 1336 OD2 ASP A 87 62.348 11.721 11.510 1.00 0.00 O ATOM 0 H ASP A 87 60.042 12.102 8.541 1.00 0.00 H new ATOM 0 HA ASP A 87 58.208 12.149 10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 87 60.040 10.935 11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 87 59.863 10.196 10.406 1.00 0.00 H new ATOM 1341 N ASP A 88 60.141 13.757 12.162 1.00 0.00 N ATOM 1342 CA ASP A 88 60.677 15.067 12.655 1.00 0.00 C ATOM 1343 C ASP A 88 61.903 15.490 11.830 1.00 0.00 C ATOM 1344 O ASP A 88 62.042 16.642 11.464 1.00 0.00 O ATOM 1345 CB ASP A 88 61.070 14.811 14.114 1.00 0.00 C ATOM 1346 CG ASP A 88 59.814 14.757 14.987 1.00 0.00 C ATOM 1347 OD1 ASP A 88 59.220 13.695 15.069 1.00 0.00 O ATOM 1348 OD2 ASP A 88 59.470 15.779 15.556 1.00 0.00 O ATOM 0 H ASP A 88 60.134 13.008 12.854 1.00 0.00 H new ATOM 0 HA ASP A 88 59.946 15.871 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 88 61.620 13.873 14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 88 61.735 15.600 14.465 1.00 0.00 H new ATOM 1353 N SER A 89 62.783 14.557 11.538 1.00 0.00 N ATOM 1354 CA SER A 89 64.014 14.868 10.735 1.00 0.00 C ATOM 1355 C SER A 89 64.881 15.923 11.449 1.00 0.00 C ATOM 1356 O SER A 89 64.903 15.919 12.671 1.00 0.00 O ATOM 1357 CB SER A 89 63.507 15.391 9.380 1.00 0.00 C ATOM 1358 OG SER A 89 62.548 14.485 8.831 1.00 0.00 O ATOM 1359 OXT SER A 89 65.521 16.707 10.764 1.00 0.00 O ATOM 0 H SER A 89 62.699 13.582 11.825 1.00 0.00 H new ATOM 0 HA SER A 89 64.645 13.988 10.609 1.00 0.00 H new ATOM 0 HB2 SER A 89 63.057 16.376 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 89 64.343 15.509 8.691 1.00 0.00 H new ATOM 0 HG SER A 89 62.673 13.597 9.226 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 58.831 16.003 -7.497 1.00 0.00 N ATOM 1367 CA ARG B 144 58.554 14.570 -7.159 1.00 0.00 C ATOM 1368 C ARG B 144 57.615 13.938 -8.205 1.00 0.00 C ATOM 1369 O ARG B 144 57.238 14.574 -9.172 1.00 0.00 O ATOM 1370 CB ARG B 144 57.901 14.601 -5.766 1.00 0.00 C ATOM 1371 CG ARG B 144 56.443 15.071 -5.859 1.00 0.00 C ATOM 1372 CD ARG B 144 55.517 13.934 -5.417 1.00 0.00 C ATOM 1373 NE ARG B 144 55.441 14.051 -3.932 1.00 0.00 N ATOM 1374 CZ ARG B 144 56.423 13.617 -3.195 1.00 0.00 C ATOM 1375 NH1 ARG B 144 56.587 12.339 -3.025 1.00 0.00 N ATOM 1376 NH2 ARG B 144 57.244 14.461 -2.639 1.00 0.00 N ATOM 0 HA ARG B 144 59.461 13.965 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG B 144 57.940 13.608 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG B 144 58.462 15.268 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG B 144 56.290 15.947 -5.228 1.00 0.00 H new ATOM 0 HG3 ARG B 144 56.209 15.370 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG B 144 54.531 14.030 -5.871 1.00 0.00 H new ATOM 0 HD3 ARG B 144 55.913 12.964 -5.716 1.00 0.00 H new ATOM 0 HE ARG B 144 54.621 14.470 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG B 144 55.948 11.679 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG B 144 57.355 11.996 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG B 144 57.118 15.463 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG B 144 58.013 14.120 -2.062 1.00 0.00 H new ATOM 1392 N ARG B 145 57.244 12.693 -8.021 1.00 0.00 N ATOM 1393 CA ARG B 145 56.333 12.017 -9.002 1.00 0.00 C ATOM 1394 C ARG B 145 55.188 11.303 -8.267 1.00 0.00 C ATOM 1395 O ARG B 145 54.030 11.640 -8.434 1.00 0.00 O ATOM 1396 CB ARG B 145 57.225 11.007 -9.742 1.00 0.00 C ATOM 1397 CG ARG B 145 56.367 10.084 -10.616 1.00 0.00 C ATOM 1398 CD ARG B 145 55.591 10.910 -11.645 1.00 0.00 C ATOM 1399 NE ARG B 145 55.117 9.916 -12.650 1.00 0.00 N ATOM 1400 CZ ARG B 145 53.966 9.325 -12.495 1.00 0.00 C ATOM 1401 NH1 ARG B 145 52.868 9.950 -12.811 1.00 0.00 N ATOM 1402 NH2 ARG B 145 53.916 8.116 -12.018 1.00 0.00 N ATOM 0 H ARG B 145 57.533 12.114 -7.233 1.00 0.00 H new ATOM 0 HA ARG B 145 55.867 12.724 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG B 145 57.950 11.536 -10.361 1.00 0.00 H new ATOM 0 HB3 ARG B 145 57.792 10.416 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG B 145 57.001 9.358 -11.124 1.00 0.00 H new ATOM 0 HG3 ARG B 145 55.673 9.520 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG B 145 54.755 11.435 -11.182 1.00 0.00 H new ATOM 0 HD3 ARG B 145 56.226 11.667 -12.106 1.00 0.00 H new ATOM 0 HE ARG B 145 55.695 9.698 -13.461 1.00 0.00 H new ATOM 0 HH11 ARG B 145 52.910 10.900 -13.179 1.00 0.00 H new ATOM 0 HH12 ARG B 145 51.966 9.489 -12.690 1.00 0.00 H new ATOM 0 HH21 ARG B 145 54.777 7.631 -11.766 1.00 0.00 H new ATOM 0 HH22 ARG B 145 53.016 7.653 -11.896 1.00 0.00 H new ATOM 1416 N VAL B 146 55.503 10.320 -7.459 1.00 0.00 N ATOM 1417 CA VAL B 146 54.436 9.576 -6.713 1.00 0.00 C ATOM 1418 C VAL B 146 54.438 9.982 -5.231 1.00 0.00 C ATOM 1419 O VAL B 146 55.434 10.444 -4.704 1.00 0.00 O ATOM 1420 CB VAL B 146 54.796 8.093 -6.870 1.00 0.00 C ATOM 1421 CG1 VAL B 146 53.700 7.226 -6.246 1.00 0.00 C ATOM 1422 CG2 VAL B 146 54.920 7.742 -8.356 1.00 0.00 C ATOM 0 H VAL B 146 56.455 9.999 -7.283 1.00 0.00 H new ATOM 0 HA VAL B 146 53.439 9.793 -7.097 1.00 0.00 H new ATOM 0 HB VAL B 146 55.745 7.906 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL B 146 53.960 6.174 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL B 146 53.607 7.464 -5.186 1.00 0.00 H new ATOM 0 HG13 VAL B 146 52.752 7.422 -6.747 1.00 0.00 H new ATOM 0 HG21 VAL B 146 55.176 6.688 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL B 146 53.971 7.937 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL B 146 55.701 8.352 -8.810 1.00 0.00 H new ATOM 1432 N ARG B 147 53.327 9.808 -4.557 1.00 0.00 N ATOM 1433 CA ARG B 147 53.249 10.179 -3.110 1.00 0.00 C ATOM 1434 C ARG B 147 53.045 8.927 -2.241 1.00 0.00 C ATOM 1435 O ARG B 147 53.981 8.432 -1.644 1.00 0.00 O ATOM 1436 CB ARG B 147 52.044 11.119 -3.005 1.00 0.00 C ATOM 1437 CG ARG B 147 52.451 12.522 -3.458 1.00 0.00 C ATOM 1438 CD ARG B 147 52.023 13.546 -2.403 1.00 0.00 C ATOM 1439 NE ARG B 147 51.401 14.658 -3.176 1.00 0.00 N ATOM 1440 CZ ARG B 147 51.984 15.821 -3.230 1.00 0.00 C ATOM 1441 NH1 ARG B 147 51.958 16.609 -2.194 1.00 0.00 N ATOM 1442 NH2 ARG B 147 52.593 16.192 -4.320 1.00 0.00 N ATOM 0 H ARG B 147 52.468 9.423 -4.949 1.00 0.00 H new ATOM 0 HA ARG B 147 54.165 10.653 -2.758 1.00 0.00 H new ATOM 0 HB2 ARG B 147 51.226 10.749 -3.623 1.00 0.00 H new ATOM 0 HB3 ARG B 147 51.680 11.148 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG B 147 53.530 12.568 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG B 147 51.986 12.755 -4.416 1.00 0.00 H new ATOM 0 HD2 ARG B 147 51.315 13.112 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG B 147 52.877 13.897 -1.824 1.00 0.00 H new ATOM 0 HE ARG B 147 50.518 14.508 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG B 147 51.481 16.315 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG B 147 52.414 17.520 -2.235 1.00 0.00 H new ATOM 0 HH21 ARG B 147 52.613 15.572 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG B 147 53.050 17.103 -4.364 1.00 0.00 H new ATOM 1456 N ILE B 148 51.828 8.422 -2.166 1.00 0.00 N ATOM 1457 CA ILE B 148 51.536 7.206 -1.330 1.00 0.00 C ATOM 1458 C ILE B 148 51.773 7.508 0.162 1.00 0.00 C ATOM 1459 O ILE B 148 52.506 8.412 0.518 1.00 0.00 O ATOM 1460 CB ILE B 148 52.480 6.100 -1.860 1.00 0.00 C ATOM 1461 CG1 ILE B 148 51.673 5.106 -2.702 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.145 5.346 -0.702 1.00 0.00 C ATOM 1463 CD1 ILE B 148 51.279 5.757 -4.029 1.00 0.00 C ATOM 0 H ILE B 148 51.018 8.806 -2.654 1.00 0.00 H new ATOM 0 HA ILE B 148 50.495 6.891 -1.406 1.00 0.00 H new ATOM 0 HB ILE B 148 53.256 6.570 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE B 148 52.263 4.208 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE B 148 50.781 4.795 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE B 148 53.803 4.574 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.727 6.044 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.378 4.883 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE B 148 50.705 5.048 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE B 148 50.673 6.642 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE B 148 52.178 6.046 -4.574 1.00 0.00 H new ATOM 1475 N SER B 149 51.149 6.759 1.036 1.00 0.00 N ATOM 1476 CA SER B 149 51.330 6.999 2.501 1.00 0.00 C ATOM 1477 C SER B 149 51.723 5.699 3.212 1.00 0.00 C ATOM 1478 O SER B 149 51.275 4.625 2.852 1.00 0.00 O ATOM 1479 CB SER B 149 49.970 7.490 2.996 1.00 0.00 C ATOM 1480 OG SER B 149 50.166 8.406 4.066 1.00 0.00 O ATOM 0 H SER B 149 50.521 5.991 0.798 1.00 0.00 H new ATOM 0 HA SER B 149 52.122 7.720 2.702 1.00 0.00 H new ATOM 0 HB2 SER B 149 49.426 7.972 2.184 1.00 0.00 H new ATOM 0 HB3 SER B 149 49.365 6.647 3.329 1.00 0.00 H new ATOM 0 HG SER B 149 49.834 8.012 4.899 1.00 0.00 H new ATOM 1486 N ALA B 150 52.559 5.792 4.219 1.00 0.00 N ATOM 1487 CA ALA B 150 52.992 4.565 4.963 1.00 0.00 C ATOM 1488 C ALA B 150 51.777 3.820 5.538 1.00 0.00 C ATOM 1489 O ALA B 150 51.673 2.614 5.422 1.00 0.00 O ATOM 1490 CB ALA B 150 53.889 5.083 6.089 1.00 0.00 C ATOM 0 H ALA B 150 52.961 6.666 4.559 1.00 0.00 H new ATOM 0 HA ALA B 150 53.511 3.857 4.317 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.249 4.243 6.683 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.739 5.616 5.662 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.319 5.760 6.726 1.00 0.00 H new ATOM 1496 N ASP B 151 50.859 4.532 6.148 1.00 0.00 N ATOM 1497 CA ASP B 151 49.645 3.869 6.726 1.00 0.00 C ATOM 1498 C ASP B 151 48.753 3.309 5.603 1.00 0.00 C ATOM 1499 O ASP B 151 48.177 2.244 5.735 1.00 0.00 O ATOM 1500 CB ASP B 151 48.917 4.971 7.517 1.00 0.00 C ATOM 1501 CG ASP B 151 48.323 6.012 6.563 1.00 0.00 C ATOM 1502 OD1 ASP B 151 49.088 6.780 6.005 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.114 6.021 6.407 1.00 0.00 O ATOM 0 H ASP B 151 50.898 5.544 6.271 1.00 0.00 H new ATOM 0 HA ASP B 151 49.903 3.024 7.365 1.00 0.00 H new ATOM 0 HB2 ASP B 151 48.125 4.530 8.122 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.612 5.453 8.204 1.00 0.00 H new ATOM 1508 N ALA B 152 48.646 4.012 4.497 1.00 0.00 N ATOM 1509 CA ALA B 152 47.806 3.519 3.359 1.00 0.00 C ATOM 1510 C ALA B 152 48.371 2.197 2.829 1.00 0.00 C ATOM 1511 O ALA B 152 47.651 1.236 2.637 1.00 0.00 O ATOM 1512 CB ALA B 152 47.898 4.611 2.288 1.00 0.00 C ATOM 0 H ALA B 152 49.106 4.908 4.335 1.00 0.00 H new ATOM 0 HA ALA B 152 46.774 3.332 3.656 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.306 4.320 1.420 1.00 0.00 H new ATOM 0 HB2 ALA B 152 47.515 5.549 2.691 1.00 0.00 H new ATOM 0 HB3 ALA B 152 48.938 4.742 1.990 1.00 0.00 H new ATOM 1518 N MET B 153 49.661 2.146 2.606 1.00 0.00 N ATOM 1519 CA MET B 153 50.296 0.888 2.104 1.00 0.00 C ATOM 1520 C MET B 153 50.198 -0.211 3.169 1.00 0.00 C ATOM 1521 O MET B 153 49.948 -1.361 2.864 1.00 0.00 O ATOM 1522 CB MET B 153 51.759 1.260 1.852 1.00 0.00 C ATOM 1523 CG MET B 153 51.943 1.661 0.388 1.00 0.00 C ATOM 1524 SD MET B 153 53.657 1.360 -0.103 1.00 0.00 S ATOM 1525 CE MET B 153 53.531 2.022 -1.782 1.00 0.00 C ATOM 0 H MET B 153 50.304 2.924 2.751 1.00 0.00 H new ATOM 0 HA MET B 153 49.811 0.507 1.206 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.053 2.082 2.504 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.406 0.416 2.092 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.265 1.089 -0.246 1.00 0.00 H new ATOM 0 HG3 MET B 153 51.693 2.713 0.253 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.615 1.208 -2.501 1.00 0.00 H new ATOM 0 HE2 MET B 153 52.568 2.518 -1.906 1.00 0.00 H new ATOM 0 HE3 MET B 153 54.334 2.740 -1.951 1.00 0.00 H new ATOM 1535 N MET B 154 50.391 0.143 4.417 1.00 0.00 N ATOM 1536 CA MET B 154 50.309 -0.867 5.517 1.00 0.00 C ATOM 1537 C MET B 154 48.893 -1.454 5.597 1.00 0.00 C ATOM 1538 O MET B 154 48.715 -2.657 5.585 1.00 0.00 O ATOM 1539 CB MET B 154 50.652 -0.089 6.792 1.00 0.00 C ATOM 1540 CG MET B 154 51.083 -1.059 7.892 1.00 0.00 C ATOM 1541 SD MET B 154 49.856 -1.042 9.220 1.00 0.00 S ATOM 1542 CE MET B 154 50.436 -2.525 10.077 1.00 0.00 C ATOM 0 H MET B 154 50.603 1.093 4.721 1.00 0.00 H new ATOM 0 HA MET B 154 50.985 -1.708 5.361 1.00 0.00 H new ATOM 0 HB2 MET B 154 51.451 0.624 6.590 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.787 0.487 7.121 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.182 -2.066 7.486 1.00 0.00 H new ATOM 0 HG3 MET B 154 52.061 -0.774 8.281 1.00 0.00 H new ATOM 0 HE1 MET B 154 49.820 -2.699 10.960 1.00 0.00 H new ATOM 0 HE2 MET B 154 50.364 -3.383 9.409 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.474 -2.388 10.380 1.00 0.00 H new ATOM 1552 N GLN B 155 47.886 -0.615 5.667 1.00 0.00 N ATOM 1553 CA GLN B 155 46.481 -1.128 5.733 1.00 0.00 C ATOM 1554 C GLN B 155 46.128 -1.876 4.438 1.00 0.00 C ATOM 1555 O GLN B 155 45.498 -2.918 4.468 1.00 0.00 O ATOM 1556 CB GLN B 155 45.600 0.117 5.896 1.00 0.00 C ATOM 1557 CG GLN B 155 44.706 -0.041 7.130 1.00 0.00 C ATOM 1558 CD GLN B 155 43.641 -1.109 6.865 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.848 -2.271 7.148 1.00 0.00 O ATOM 1560 NE2 GLN B 155 42.503 -0.763 6.330 1.00 0.00 N ATOM 0 H GLN B 155 47.977 0.401 5.681 1.00 0.00 H new ATOM 0 HA GLN B 155 46.340 -1.830 6.554 1.00 0.00 H new ATOM 0 HB2 GLN B 155 46.224 1.005 5.998 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.987 0.259 5.006 1.00 0.00 H new ATOM 0 HG2 GLN B 155 45.309 -0.322 7.994 1.00 0.00 H new ATOM 0 HG3 GLN B 155 44.229 0.910 7.369 1.00 0.00 H new ATOM 0 HE21 GLN B 155 42.327 0.213 6.092 1.00 0.00 H new ATOM 0 HE22 GLN B 155 41.789 -1.468 6.150 1.00 0.00 H new ATOM 1569 N ALA B 156 46.540 -1.359 3.303 1.00 0.00 N ATOM 1570 CA ALA B 156 46.238 -2.045 2.005 1.00 0.00 C ATOM 1571 C ALA B 156 46.898 -3.434 1.963 1.00 0.00 C ATOM 1572 O ALA B 156 46.327 -4.379 1.454 1.00 0.00 O ATOM 1573 CB ALA B 156 46.822 -1.132 0.921 1.00 0.00 C ATOM 0 H ALA B 156 47.072 -0.493 3.220 1.00 0.00 H new ATOM 0 HA ALA B 156 45.169 -2.204 1.866 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.639 -1.570 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.347 -0.152 0.976 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.896 -1.024 1.076 1.00 0.00 H new ATOM 1579 N LEU B 157 48.091 -3.567 2.498 1.00 0.00 N ATOM 1580 CA LEU B 157 48.774 -4.902 2.488 1.00 0.00 C ATOM 1581 C LEU B 157 48.409 -5.727 3.739 1.00 0.00 C ATOM 1582 O LEU B 157 48.848 -6.852 3.885 1.00 0.00 O ATOM 1583 CB LEU B 157 50.274 -4.589 2.480 1.00 0.00 C ATOM 1584 CG LEU B 157 50.792 -4.573 1.037 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.712 -3.367 0.836 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.578 -5.859 0.758 1.00 0.00 C ATOM 0 H LEU B 157 48.618 -2.813 2.939 1.00 0.00 H new ATOM 0 HA LEU B 157 48.470 -5.496 1.626 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.456 -3.624 2.952 1.00 0.00 H new ATOM 0 HB3 LEU B 157 50.814 -5.336 3.062 1.00 0.00 H new ATOM 0 HG LEU B 157 49.946 -4.506 0.353 1.00 0.00 H new ATOM 0 HD11 LEU B 157 52.080 -3.357 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU B 157 51.157 -2.449 1.032 1.00 0.00 H new ATOM 0 HD13 LEU B 157 52.556 -3.434 1.523 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.945 -5.846 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU B 157 52.422 -5.926 1.445 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.926 -6.721 0.899 1.00 0.00 H new ATOM 1598 N LEU B 158 47.616 -5.188 4.640 1.00 0.00 N ATOM 1599 CA LEU B 158 47.241 -5.963 5.868 1.00 0.00 C ATOM 1600 C LEU B 158 46.056 -6.895 5.576 1.00 0.00 C ATOM 1601 O LEU B 158 46.124 -8.084 5.819 1.00 0.00 O ATOM 1602 CB LEU B 158 46.860 -4.918 6.925 1.00 0.00 C ATOM 1603 CG LEU B 158 47.874 -4.961 8.074 1.00 0.00 C ATOM 1604 CD1 LEU B 158 47.567 -3.848 9.077 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.791 -6.315 8.784 1.00 0.00 C ATOM 0 H LEU B 158 47.216 -4.252 4.578 1.00 0.00 H new ATOM 0 HA LEU B 158 48.062 -6.593 6.209 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.842 -3.924 6.479 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.857 -5.116 7.303 1.00 0.00 H new ATOM 0 HG LEU B 158 48.876 -4.820 7.669 1.00 0.00 H new ATOM 0 HD11 LEU B 158 48.290 -3.883 9.892 1.00 0.00 H new ATOM 0 HD12 LEU B 158 47.629 -2.881 8.578 1.00 0.00 H new ATOM 0 HD13 LEU B 158 46.563 -3.986 9.477 1.00 0.00 H new ATOM 0 HD21 LEU B 158 48.513 -6.343 9.600 1.00 0.00 H new ATOM 0 HD22 LEU B 158 46.786 -6.456 9.183 1.00 0.00 H new ATOM 0 HD23 LEU B 158 48.014 -7.112 8.075 1.00 0.00 H new ATOM 1617 N GLY B 159 44.972 -6.367 5.059 1.00 0.00 N ATOM 1618 CA GLY B 159 43.788 -7.231 4.752 1.00 0.00 C ATOM 1619 C GLY B 159 42.775 -6.454 3.905 1.00 0.00 C ATOM 1620 O GLY B 159 41.600 -6.418 4.211 1.00 0.00 O ATOM 0 H GLY B 159 44.856 -5.378 4.837 1.00 0.00 H new ATOM 0 HA2 GLY B 159 44.109 -8.126 4.219 1.00 0.00 H new ATOM 0 HA3 GLY B 159 43.320 -7.563 5.679 1.00 0.00 H new ATOM 1624 N ALA B 160 43.222 -5.835 2.839 1.00 0.00 N ATOM 1625 CA ALA B 160 42.286 -5.061 1.966 1.00 0.00 C ATOM 1626 C ALA B 160 42.073 -5.799 0.636 1.00 0.00 C ATOM 1627 O ALA B 160 40.954 -6.062 0.237 1.00 0.00 O ATOM 1628 CB ALA B 160 42.976 -3.712 1.741 1.00 0.00 C ATOM 0 H ALA B 160 44.196 -5.833 2.536 1.00 0.00 H new ATOM 0 HA ALA B 160 41.301 -4.938 2.417 1.00 0.00 H new ATOM 0 HB1 ALA B 160 42.350 -3.084 1.107 1.00 0.00 H new ATOM 0 HB2 ALA B 160 43.131 -3.218 2.700 1.00 0.00 H new ATOM 0 HB3 ALA B 160 43.939 -3.872 1.255 1.00 0.00 H new ATOM 1634 N ARG B 161 43.139 -6.142 -0.045 1.00 0.00 N ATOM 1635 CA ARG B 161 43.009 -6.873 -1.344 1.00 0.00 C ATOM 1636 C ARG B 161 44.207 -7.816 -1.532 1.00 0.00 C ATOM 1637 O ARG B 161 45.250 -7.422 -2.021 1.00 0.00 O ATOM 1638 CB ARG B 161 42.991 -5.783 -2.426 1.00 0.00 C ATOM 1639 CG ARG B 161 42.083 -6.216 -3.585 1.00 0.00 C ATOM 1640 CD ARG B 161 42.928 -6.485 -4.837 1.00 0.00 C ATOM 1641 NE ARG B 161 43.320 -7.924 -4.744 1.00 0.00 N ATOM 1642 CZ ARG B 161 42.710 -8.821 -5.468 1.00 0.00 C ATOM 1643 NH1 ARG B 161 41.503 -9.200 -5.157 1.00 0.00 N ATOM 1644 NH2 ARG B 161 43.316 -9.346 -6.495 1.00 0.00 N ATOM 0 H ARG B 161 44.097 -5.946 0.244 1.00 0.00 H new ATOM 0 HA ARG B 161 42.110 -7.488 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG B 161 42.634 -4.844 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG B 161 44.002 -5.604 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG B 161 41.530 -7.114 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG B 161 41.347 -5.439 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG B 161 42.358 -6.290 -5.746 1.00 0.00 H new ATOM 0 HD3 ARG B 161 43.805 -5.839 -4.866 1.00 0.00 H new ATOM 0 HE ARG B 161 44.068 -8.206 -4.111 1.00 0.00 H new ATOM 0 HH11 ARG B 161 41.034 -8.795 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG B 161 41.027 -9.902 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG B 161 44.265 -9.055 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG B 161 42.842 -10.048 -7.063 1.00 0.00 H new ATOM 1658 N ALA B 162 44.066 -9.059 -1.141 1.00 0.00 N ATOM 1659 CA ALA B 162 45.198 -10.029 -1.293 1.00 0.00 C ATOM 1660 C ALA B 162 45.363 -10.436 -2.764 1.00 0.00 C ATOM 1661 O ALA B 162 44.530 -10.130 -3.595 1.00 0.00 O ATOM 1662 CB ALA B 162 44.808 -11.240 -0.442 1.00 0.00 C ATOM 0 H ALA B 162 43.219 -9.444 -0.724 1.00 0.00 H new ATOM 0 HA ALA B 162 46.148 -9.599 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA B 162 45.591 -11.995 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA B 162 44.683 -10.931 0.596 1.00 0.00 H new ATOM 0 HB3 ALA B 162 43.871 -11.658 -0.811 1.00 0.00 H new ATOM 1668 N LYS B 163 46.441 -11.123 -3.076 1.00 0.00 N ATOM 1669 CA LYS B 163 46.710 -11.571 -4.485 1.00 0.00 C ATOM 1670 C LYS B 163 47.055 -10.367 -5.381 1.00 0.00 C ATOM 1671 O LYS B 163 48.234 -10.152 -5.611 1.00 0.00 O ATOM 1672 CB LYS B 163 45.430 -12.280 -4.958 1.00 0.00 C ATOM 1673 CG LYS B 163 45.797 -13.389 -5.948 1.00 0.00 C ATOM 1674 CD LYS B 163 44.529 -13.896 -6.644 1.00 0.00 C ATOM 1675 CE LYS B 163 44.402 -15.413 -6.446 1.00 0.00 C ATOM 1676 NZ LYS B 163 42.993 -15.630 -6.011 1.00 0.00 N ATOM 1677 OXT LYS B 163 46.145 -9.680 -5.822 1.00 0.00 O ATOM 0 H LYS B 163 47.157 -11.396 -2.403 1.00 0.00 H new ATOM 0 HA LYS B 163 47.566 -12.244 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS B 163 44.898 -12.701 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS B 163 44.758 -11.564 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS B 163 46.504 -13.012 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS B 163 46.290 -14.209 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS B 163 43.653 -13.392 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS B 163 44.567 -13.660 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS B 163 44.617 -15.951 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS B 163 45.106 -15.773 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 42.830 -16.645 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 42.819 -15.112 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 42.345 -15.284 -6.747 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.025 -3.458 -0.967 1.00 0.00 CA HETATM 1693 OAA SXK A 91 59.662 12.880 -3.713 1.00 20.00 O HETATM 1694 OAB SXK A 91 59.559 11.901 -5.705 1.00 20.00 O HETATM 1695 CAE SXK A 91 56.731 3.220 0.099 1.00 20.00 C HETATM 1696 CAF SXK A 91 57.398 8.156 -3.247 1.00 20.00 C HETATM 1697 CAG SXK A 91 59.184 8.160 -1.545 1.00 20.00 C HETATM 1698 CAH SXK A 91 57.072 6.823 -2.909 1.00 20.00 C HETATM 1699 CAI SXK A 91 58.867 6.831 -1.203 1.00 20.00 C HETATM 1700 CAJ SXK A 91 57.020 4.559 -0.254 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.376 2.458 -2.131 1.00 20.00 C HETATM 1702 CAL SXK A 91 59.808 10.481 -3.816 1.00 20.00 C HETATM 1703 OAM SXK A 91 58.681 10.109 -2.983 1.00 20.00 O HETATM 1704 CAN SXK A 91 59.667 11.869 -4.461 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.911 2.191 -0.839 1.00 20.00 C HETATM 1706 CAP SXK A 91 58.456 8.822 -2.560 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.668 3.791 -2.496 1.00 20.00 C HETATM 1708 CAR SXK A 91 57.811 6.160 -1.888 1.00 20.00 C HETATM 1709 CAS SXK A 91 57.493 4.837 -1.549 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.627 0.910 -0.479 1.00 20.00 F HETATM 1711 FDD SXK A 91 58.123 4.022 -3.766 1.00 20.00 F HETATM 0 HOAB SXK A 91 60.168 11.244 -6.103 1.00 20.00 H new HETATM 0 HALA SXK A 91 60.716 10.460 -3.214 1.00 20.00 H new HETATM 0 HAL SXK A 91 59.930 9.735 -4.602 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.511 1.648 -2.847 1.00 20.00 H new HETATM 0 HAJ SXK A 91 56.878 5.364 0.467 1.00 20.00 H new HETATM 0 HAI SXK A 91 59.425 6.318 -0.420 1.00 20.00 H new HETATM 0 HAH SXK A 91 56.262 6.307 -3.425 1.00 20.00 H new HETATM 0 HAG SXK A 91 59.991 8.678 -1.027 1.00 20.00 H new HETATM 0 HAF SXK A 91 56.843 8.673 -4.030 1.00 20.00 H new HETATM 0 HAE SXK A 91 56.368 2.987 1.100 1.00 20.00 H new