USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -1.4 X(o=-5.8,f=-5.3!) USER MOD Set 1.2: B 44 GLN : amide:sc= -4.37! X(o=-5.8!,f=-5.3) USER MOD Single : A 1 PHE N :NH3+ 156:sc= 0.797 (180deg=0.277) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= -0.0192 (180deg=-0.371) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.457 USER MOD Single : A 17 SER OG : rot -160:sc= -0.693 USER MOD Single : A 18 ASN : amide:sc=-0.00333 K(o=-0.0033,f=-1.4) USER MOD Single : A 22 MET CE :methyl -169:sc= -0.691 (180deg=-1.28) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -139:sc= -0.0869 (180deg=-0.658) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -0.119 (180deg=-0.677) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-2.9!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 162:sc= 0.83 (180deg=0.344) USER MOD Single : B 7 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.231) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.42 USER MOD Single : B 17 SER OG : rot -160:sc= -0.702 USER MOD Single : B 18 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 22 MET CE :methyl -169:sc= -0.696 (180deg=-1.19) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -158:sc= -0.0962 (180deg=-0.656) USER MOD Single : B 46 LYS NZ :NH3+ -152:sc= -0.234 (180deg=-1.13) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-3!) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.281 -3.666 24.242 1.00 0.00 N ATOM 2 CA PHE A 1 94.466 -4.185 25.380 1.00 0.00 C ATOM 3 C PHE A 1 94.073 -3.034 26.310 1.00 0.00 C ATOM 4 O PHE A 1 92.910 -2.722 26.485 1.00 0.00 O ATOM 5 CB PHE A 1 95.291 -5.187 26.196 1.00 0.00 C ATOM 6 CG PHE A 1 95.480 -6.464 25.420 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.470 -6.538 24.432 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.673 -7.581 25.698 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.656 -7.728 23.719 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.859 -8.770 24.980 1.00 0.00 C ATOM 11 CZ PHE A 1 95.851 -8.844 23.993 1.00 0.00 C ATOM 0 H1 PHE A 1 95.870 -4.433 23.859 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.649 -3.309 23.497 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.892 -2.894 24.576 1.00 0.00 H new ATOM 0 HA PHE A 1 93.576 -4.665 24.974 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.261 -4.755 26.441 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.789 -5.398 27.140 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.089 -5.678 24.221 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.912 -7.523 26.462 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.420 -7.787 22.958 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.238 -9.629 25.187 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.996 -9.762 23.442 1.00 0.00 H new ATOM 23 N LEU A 2 95.042 -2.424 26.935 1.00 0.00 N ATOM 24 CA LEU A 2 94.748 -1.318 27.889 1.00 0.00 C ATOM 25 C LEU A 2 94.248 -0.072 27.150 1.00 0.00 C ATOM 26 O LEU A 2 93.423 0.661 27.653 1.00 0.00 O ATOM 27 CB LEU A 2 96.025 -0.965 28.655 1.00 0.00 C ATOM 28 CG LEU A 2 96.658 -2.231 29.239 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.905 -1.846 30.035 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.654 -2.941 30.156 1.00 0.00 C ATOM 0 H LEU A 2 96.031 -2.646 26.825 1.00 0.00 H new ATOM 0 HA LEU A 2 93.969 -1.651 28.575 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.732 -0.470 27.989 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.795 -0.262 29.456 1.00 0.00 H new ATOM 0 HG LEU A 2 96.935 -2.907 28.430 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.361 -2.743 30.454 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.618 -1.350 29.377 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.626 -1.170 30.843 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.111 -3.841 30.568 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.369 -2.274 30.969 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.768 -3.214 29.583 1.00 0.00 H new ATOM 42 N ASP A 3 94.762 0.196 25.982 1.00 0.00 N ATOM 43 CA ASP A 3 94.331 1.418 25.239 1.00 0.00 C ATOM 44 C ASP A 3 92.869 1.302 24.804 1.00 0.00 C ATOM 45 O ASP A 3 92.058 2.162 25.083 1.00 0.00 O ATOM 46 CB ASP A 3 95.210 1.587 23.999 1.00 0.00 C ATOM 47 CG ASP A 3 94.969 2.965 23.382 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.164 3.704 23.923 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.599 3.257 22.378 1.00 0.00 O ATOM 0 H ASP A 3 95.461 -0.376 25.508 1.00 0.00 H new ATOM 0 HA ASP A 3 94.433 2.281 25.897 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.261 1.477 24.268 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.984 0.807 23.272 1.00 0.00 H new ATOM 54 N GLY A 4 92.529 0.251 24.114 1.00 0.00 N ATOM 55 CA GLY A 4 91.121 0.088 23.655 1.00 0.00 C ATOM 56 C GLY A 4 90.193 -0.009 24.861 1.00 0.00 C ATOM 57 O GLY A 4 89.154 0.618 24.908 1.00 0.00 O ATOM 0 H GLY A 4 93.163 -0.502 23.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.833 0.933 23.030 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.030 -0.808 23.042 1.00 0.00 H new ATOM 61 N ILE A 5 90.556 -0.803 25.828 1.00 0.00 N ATOM 62 CA ILE A 5 89.706 -0.959 27.036 1.00 0.00 C ATOM 63 C ILE A 5 89.532 0.385 27.727 1.00 0.00 C ATOM 64 O ILE A 5 88.471 0.709 28.219 1.00 0.00 O ATOM 65 CB ILE A 5 90.372 -1.952 27.985 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.304 -3.335 27.341 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.637 -1.972 29.329 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.231 -4.321 28.063 1.00 0.00 C ATOM 0 H ILE A 5 91.414 -1.355 25.831 1.00 0.00 H new ATOM 0 HA ILE A 5 88.723 -1.331 26.747 1.00 0.00 H new ATOM 0 HB ILE A 5 91.408 -1.663 28.164 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.279 -3.705 27.371 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.587 -3.266 26.291 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.121 -2.684 29.998 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.666 -0.978 29.775 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.600 -2.269 29.172 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.165 -5.299 27.586 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.258 -3.960 28.010 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.930 -4.406 29.107 1.00 0.00 H new ATOM 80 N ASP A 6 90.565 1.170 27.789 1.00 0.00 N ATOM 81 CA ASP A 6 90.434 2.479 28.470 1.00 0.00 C ATOM 82 C ASP A 6 89.256 3.244 27.873 1.00 0.00 C ATOM 83 O ASP A 6 88.445 3.809 28.582 1.00 0.00 O ATOM 84 CB ASP A 6 91.714 3.282 28.271 1.00 0.00 C ATOM 85 CG ASP A 6 91.660 4.531 29.141 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.618 4.777 29.727 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.660 5.226 29.206 1.00 0.00 O ATOM 0 H ASP A 6 91.486 0.964 27.401 1.00 0.00 H new ATOM 0 HA ASP A 6 90.264 2.322 29.535 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.582 2.677 28.535 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.825 3.559 27.223 1.00 0.00 H new ATOM 92 N LYS A 7 89.142 3.259 26.575 1.00 0.00 N ATOM 93 CA LYS A 7 87.998 3.980 25.951 1.00 0.00 C ATOM 94 C LYS A 7 86.704 3.231 26.248 1.00 0.00 C ATOM 95 O LYS A 7 85.687 3.823 26.563 1.00 0.00 O ATOM 96 CB LYS A 7 88.195 4.041 24.436 1.00 0.00 C ATOM 97 CG LYS A 7 89.419 4.895 24.099 1.00 0.00 C ATOM 98 CD LYS A 7 89.418 5.181 22.596 1.00 0.00 C ATOM 99 CE LYS A 7 90.617 6.064 22.239 1.00 0.00 C ATOM 100 NZ LYS A 7 91.883 5.323 22.495 1.00 0.00 N ATOM 0 H LYS A 7 89.785 2.808 25.924 1.00 0.00 H new ATOM 0 HA LYS A 7 87.946 4.990 26.358 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.323 3.035 24.037 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.307 4.461 23.963 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.395 5.828 24.661 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.333 4.374 24.384 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.464 4.246 22.038 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.490 5.678 22.311 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.563 6.360 21.191 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.595 6.980 22.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.496 5.384 21.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.371 5.742 23.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.667 4.325 22.694 1.00 0.00 H new ATOM 114 N ALA A 8 86.739 1.935 26.153 1.00 0.00 N ATOM 115 CA ALA A 8 85.521 1.136 26.434 1.00 0.00 C ATOM 116 C ALA A 8 85.178 1.244 27.918 1.00 0.00 C ATOM 117 O ALA A 8 84.025 1.293 28.300 1.00 0.00 O ATOM 118 CB ALA A 8 85.763 -0.326 26.058 1.00 0.00 C ATOM 0 H ALA A 8 87.563 1.393 25.892 1.00 0.00 H new ATOM 0 HA ALA A 8 84.689 1.518 25.843 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.866 -0.909 26.266 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.002 -0.394 24.997 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.595 -0.719 26.643 1.00 0.00 H new ATOM 124 N GLN A 9 86.175 1.272 28.756 1.00 0.00 N ATOM 125 CA GLN A 9 85.914 1.359 30.216 1.00 0.00 C ATOM 126 C GLN A 9 85.063 2.592 30.498 1.00 0.00 C ATOM 127 O GLN A 9 84.139 2.549 31.283 1.00 0.00 O ATOM 128 CB GLN A 9 87.244 1.470 30.966 1.00 0.00 C ATOM 129 CG GLN A 9 87.007 1.293 32.464 1.00 0.00 C ATOM 130 CD GLN A 9 88.334 1.455 33.206 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.361 1.656 32.591 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.362 1.366 34.505 1.00 0.00 N ATOM 0 H GLN A 9 87.160 1.238 28.492 1.00 0.00 H new ATOM 0 HA GLN A 9 85.386 0.466 30.550 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.940 0.712 30.606 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.702 2.440 30.773 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.286 2.029 32.820 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.583 0.309 32.663 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.500 1.197 35.023 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.246 1.465 35.004 1.00 0.00 H new ATOM 141 N GLU A 10 85.347 3.692 29.855 1.00 0.00 N ATOM 142 CA GLU A 10 84.518 4.900 30.097 1.00 0.00 C ATOM 143 C GLU A 10 83.078 4.597 29.674 1.00 0.00 C ATOM 144 O GLU A 10 82.131 4.978 30.335 1.00 0.00 O ATOM 145 CB GLU A 10 85.064 6.085 29.288 1.00 0.00 C ATOM 146 CG GLU A 10 84.406 7.381 29.777 1.00 0.00 C ATOM 147 CD GLU A 10 85.033 7.808 31.109 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.915 7.107 31.574 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.620 8.827 31.638 1.00 0.00 O ATOM 0 H GLU A 10 86.106 3.804 29.183 1.00 0.00 H new ATOM 0 HA GLU A 10 84.547 5.162 31.155 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.146 6.149 29.400 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.862 5.939 28.227 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.535 8.168 29.034 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.333 7.232 29.900 1.00 0.00 H new ATOM 156 N GLU A 11 82.908 3.901 28.578 1.00 0.00 N ATOM 157 CA GLU A 11 81.529 3.560 28.114 1.00 0.00 C ATOM 158 C GLU A 11 80.831 2.707 29.174 1.00 0.00 C ATOM 159 O GLU A 11 79.662 2.881 29.449 1.00 0.00 O ATOM 160 CB GLU A 11 81.614 2.775 26.794 1.00 0.00 C ATOM 161 CG GLU A 11 80.251 2.785 26.091 1.00 0.00 C ATOM 162 CD GLU A 11 80.016 4.160 25.452 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.877 5.016 25.590 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.977 4.334 24.840 1.00 0.00 O ATOM 0 H GLU A 11 83.663 3.555 27.986 1.00 0.00 H new ATOM 0 HA GLU A 11 80.960 4.476 27.955 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.370 3.218 26.146 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.924 1.749 26.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.217 2.007 25.328 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.459 2.564 26.807 1.00 0.00 H new ATOM 171 N HIS A 12 81.538 1.787 29.773 1.00 0.00 N ATOM 172 CA HIS A 12 80.903 0.934 30.816 1.00 0.00 C ATOM 173 C HIS A 12 80.446 1.805 31.984 1.00 0.00 C ATOM 174 O HIS A 12 79.351 1.666 32.493 1.00 0.00 O ATOM 175 CB HIS A 12 81.901 -0.095 31.343 1.00 0.00 C ATOM 176 CG HIS A 12 81.173 -0.955 32.329 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.794 -2.267 32.038 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.633 -0.664 33.556 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.040 -2.707 33.069 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.930 -1.763 33.990 1.00 0.00 N ATOM 0 H HIS A 12 82.521 1.591 29.586 1.00 0.00 H new ATOM 0 HA HIS A 12 80.051 0.422 30.369 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.299 -0.698 30.527 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.749 0.399 31.817 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.041 -2.796 31.201 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.741 0.269 34.090 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.592 -3.688 33.132 1.00 0.00 H new ATOM 188 N GLU A 13 81.286 2.700 32.418 1.00 0.00 N ATOM 189 CA GLU A 13 80.920 3.575 33.563 1.00 0.00 C ATOM 190 C GLU A 13 79.676 4.400 33.229 1.00 0.00 C ATOM 191 O GLU A 13 78.821 4.613 34.059 1.00 0.00 O ATOM 192 CB GLU A 13 82.090 4.526 33.842 1.00 0.00 C ATOM 193 CG GLU A 13 81.821 5.302 35.135 1.00 0.00 C ATOM 194 CD GLU A 13 82.978 6.264 35.404 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.894 6.293 34.600 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.929 6.950 36.410 1.00 0.00 O ATOM 0 H GLU A 13 82.214 2.864 32.027 1.00 0.00 H new ATOM 0 HA GLU A 13 80.708 2.957 34.436 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.018 3.961 33.931 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.216 5.218 33.010 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.886 5.856 35.051 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.708 4.610 35.970 1.00 0.00 H new ATOM 203 N LYS A 14 79.594 4.889 32.029 1.00 0.00 N ATOM 204 CA LYS A 14 78.439 5.733 31.625 1.00 0.00 C ATOM 205 C LYS A 14 77.107 4.976 31.659 1.00 0.00 C ATOM 206 O LYS A 14 76.092 5.541 32.018 1.00 0.00 O ATOM 207 CB LYS A 14 78.681 6.269 30.212 1.00 0.00 C ATOM 208 CG LYS A 14 79.838 7.270 30.241 1.00 0.00 C ATOM 209 CD LYS A 14 80.201 7.696 28.811 1.00 0.00 C ATOM 210 CE LYS A 14 79.174 8.703 28.283 1.00 0.00 C ATOM 211 NZ LYS A 14 79.676 9.308 27.009 1.00 0.00 N ATOM 0 H LYS A 14 80.289 4.738 31.298 1.00 0.00 H new ATOM 0 HA LYS A 14 78.364 6.548 32.345 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.913 5.448 29.534 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.779 6.750 29.834 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.559 8.144 30.830 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.705 6.822 30.727 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.197 8.140 28.797 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.232 6.822 28.160 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.219 8.207 28.111 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.000 9.483 29.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.979 9.991 26.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.578 9.795 27.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.821 8.559 26.302 1.00 0.00 H new ATOM 225 N TYR A 15 77.077 3.731 31.239 1.00 0.00 N ATOM 226 CA TYR A 15 75.768 2.985 31.192 1.00 0.00 C ATOM 227 C TYR A 15 75.864 1.584 31.821 1.00 0.00 C ATOM 228 O TYR A 15 74.898 0.843 31.821 1.00 0.00 O ATOM 229 CB TYR A 15 75.372 2.827 29.721 1.00 0.00 C ATOM 230 CG TYR A 15 75.626 4.120 28.972 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.873 4.351 28.370 1.00 0.00 C ATOM 232 CD2 TYR A 15 74.608 5.082 28.864 1.00 0.00 C ATOM 233 CE1 TYR A 15 77.100 5.535 27.666 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.839 6.266 28.160 1.00 0.00 C ATOM 235 CZ TYR A 15 76.083 6.493 27.561 1.00 0.00 C ATOM 236 OH TYR A 15 76.307 7.664 26.865 1.00 0.00 O ATOM 0 H TYR A 15 77.891 3.201 30.929 1.00 0.00 H new ATOM 0 HA TYR A 15 75.032 3.553 31.762 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.943 2.017 29.268 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.319 2.555 29.647 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.657 3.613 28.452 1.00 0.00 H new ATOM 0 HD2 TYR A 15 73.647 4.906 29.325 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.059 5.712 27.202 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.057 7.007 28.078 1.00 0.00 H new ATOM 0 HH TYR A 15 75.499 8.218 26.888 1.00 0.00 H new ATOM 246 N HIS A 16 77.005 1.181 32.311 1.00 0.00 N ATOM 247 CA HIS A 16 77.114 -0.196 32.878 1.00 0.00 C ATOM 248 C HIS A 16 76.602 -1.167 31.820 1.00 0.00 C ATOM 249 O HIS A 16 75.866 -2.089 32.105 1.00 0.00 O ATOM 250 CB HIS A 16 76.272 -0.355 34.156 1.00 0.00 C ATOM 251 CG HIS A 16 76.919 0.364 35.314 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.979 -0.157 36.047 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.633 1.559 35.927 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.293 0.679 37.037 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.502 1.751 37.010 1.00 0.00 N ATOM 0 H HIS A 16 77.859 1.738 32.344 1.00 0.00 H new ATOM 0 HA HIS A 16 78.153 -0.394 33.142 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.270 0.041 33.989 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.161 -1.413 34.395 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.857 2.246 35.622 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.078 0.511 37.759 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.524 2.548 37.647 1.00 0.00 H new ATOM 263 N SER A 17 76.974 -0.941 30.595 1.00 0.00 N ATOM 264 CA SER A 17 76.500 -1.820 29.499 1.00 0.00 C ATOM 265 C SER A 17 77.012 -3.249 29.709 1.00 0.00 C ATOM 266 O SER A 17 78.033 -3.464 30.327 1.00 0.00 O ATOM 267 CB SER A 17 77.014 -1.279 28.167 1.00 0.00 C ATOM 268 OG SER A 17 78.435 -1.250 28.182 1.00 0.00 O ATOM 0 H SER A 17 77.589 -0.181 30.305 1.00 0.00 H new ATOM 0 HA SER A 17 75.410 -1.836 29.495 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.661 -1.906 27.348 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.621 -0.277 27.994 1.00 0.00 H new ATOM 0 HG SER A 17 78.757 -0.631 27.494 1.00 0.00 H new ATOM 274 N ASN A 18 76.311 -4.224 29.189 1.00 0.00 N ATOM 275 CA ASN A 18 76.759 -5.637 29.349 1.00 0.00 C ATOM 276 C ASN A 18 77.954 -5.889 28.435 1.00 0.00 C ATOM 277 O ASN A 18 78.194 -5.147 27.504 1.00 0.00 O ATOM 278 CB ASN A 18 75.625 -6.591 28.979 1.00 0.00 C ATOM 279 CG ASN A 18 74.440 -6.376 29.925 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.597 -5.837 31.003 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.252 -6.785 29.564 1.00 0.00 N ATOM 0 H ASN A 18 75.447 -4.101 28.660 1.00 0.00 H new ATOM 0 HA ASN A 18 77.043 -5.810 30.387 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.315 -6.420 27.948 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.970 -7.623 29.042 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.456 -6.652 30.187 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.121 -7.237 28.659 1.00 0.00 H new ATOM 288 N TRP A 19 78.710 -6.922 28.700 1.00 0.00 N ATOM 289 CA TRP A 19 79.900 -7.207 27.850 1.00 0.00 C ATOM 290 C TRP A 19 79.482 -7.392 26.383 1.00 0.00 C ATOM 291 O TRP A 19 80.239 -7.095 25.477 1.00 0.00 O ATOM 292 CB TRP A 19 80.618 -8.460 28.364 1.00 0.00 C ATOM 293 CG TRP A 19 79.828 -9.691 28.051 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.992 -10.322 28.912 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.796 -10.458 26.814 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.458 -11.433 28.282 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.920 -11.556 26.986 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.437 -10.306 25.573 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.691 -12.473 25.958 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.210 -11.224 24.537 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.340 -12.305 24.728 1.00 0.00 C ATOM 0 H TRP A 19 78.555 -7.578 29.466 1.00 0.00 H new ATOM 0 HA TRP A 19 80.584 -6.360 27.905 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.606 -8.531 27.909 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.768 -8.383 29.441 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.778 -10.009 29.923 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.804 -12.081 28.721 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.110 -9.476 25.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.019 -13.305 26.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.708 -11.097 23.587 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.170 -13.009 23.927 1.00 0.00 H new ATOM 312 N ARG A 20 78.293 -7.877 26.135 1.00 0.00 N ATOM 313 CA ARG A 20 77.859 -8.073 24.718 1.00 0.00 C ATOM 314 C ARG A 20 77.781 -6.727 24.010 1.00 0.00 C ATOM 315 O ARG A 20 78.159 -6.598 22.862 1.00 0.00 O ATOM 316 CB ARG A 20 76.475 -8.726 24.682 1.00 0.00 C ATOM 317 CG ARG A 20 76.562 -10.152 25.227 1.00 0.00 C ATOM 318 CD ARG A 20 75.218 -10.863 25.043 1.00 0.00 C ATOM 319 NE ARG A 20 74.174 -10.196 25.872 1.00 0.00 N ATOM 320 CZ ARG A 20 72.911 -10.462 25.673 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.566 -11.326 24.759 1.00 0.00 N ATOM 322 NH2 ARG A 20 71.997 -9.874 26.392 1.00 0.00 N ATOM 0 H ARG A 20 77.609 -8.144 26.844 1.00 0.00 H new ATOM 0 HA ARG A 20 78.584 -8.714 24.217 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.772 -8.142 25.276 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.095 -8.740 23.660 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.348 -10.701 24.709 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.831 -10.131 26.283 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.928 -10.844 23.993 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.308 -11.911 25.330 1.00 0.00 H new ATOM 0 HE ARG A 20 74.446 -9.531 26.596 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.282 -11.792 24.202 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.580 -11.536 24.602 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.267 -9.204 27.112 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.011 -10.084 26.235 1.00 0.00 H new ATOM 336 N ALA A 21 77.288 -5.724 24.680 1.00 0.00 N ATOM 337 CA ALA A 21 77.184 -4.387 24.037 1.00 0.00 C ATOM 338 C ALA A 21 78.583 -3.808 23.834 1.00 0.00 C ATOM 339 O ALA A 21 78.925 -3.333 22.767 1.00 0.00 O ATOM 340 CB ALA A 21 76.349 -3.465 24.939 1.00 0.00 C ATOM 0 H ALA A 21 76.954 -5.772 25.642 1.00 0.00 H new ATOM 0 HA ALA A 21 76.699 -4.475 23.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.266 -2.481 24.477 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.353 -3.889 25.071 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.834 -3.370 25.910 1.00 0.00 H new ATOM 346 N MET A 22 79.389 -3.845 24.850 1.00 0.00 N ATOM 347 CA MET A 22 80.768 -3.304 24.722 1.00 0.00 C ATOM 348 C MET A 22 81.527 -4.088 23.659 1.00 0.00 C ATOM 349 O MET A 22 82.269 -3.534 22.868 1.00 0.00 O ATOM 350 CB MET A 22 81.483 -3.434 26.060 1.00 0.00 C ATOM 351 CG MET A 22 80.749 -2.585 27.093 1.00 0.00 C ATOM 352 SD MET A 22 81.763 -2.425 28.576 1.00 0.00 S ATOM 353 CE MET A 22 81.602 -4.125 29.165 1.00 0.00 C ATOM 0 H MET A 22 79.155 -4.227 25.766 1.00 0.00 H new ATOM 0 HA MET A 22 80.724 -2.254 24.431 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.506 -4.477 26.376 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.518 -3.106 25.968 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.532 -1.600 26.681 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.792 -3.044 27.342 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.995 -4.197 30.179 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.551 -4.413 29.162 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.163 -4.792 28.510 1.00 0.00 H new ATOM 363 N ALA A 23 81.355 -5.379 23.631 1.00 0.00 N ATOM 364 CA ALA A 23 82.069 -6.186 22.611 1.00 0.00 C ATOM 365 C ALA A 23 81.692 -5.679 21.219 1.00 0.00 C ATOM 366 O ALA A 23 82.536 -5.451 20.377 1.00 0.00 O ATOM 367 CB ALA A 23 81.660 -7.651 22.751 1.00 0.00 C ATOM 0 H ALA A 23 80.755 -5.905 24.266 1.00 0.00 H new ATOM 0 HA ALA A 23 83.146 -6.096 22.753 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.182 -8.248 22.003 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.921 -8.008 23.747 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.584 -7.744 22.603 1.00 0.00 H new ATOM 373 N SER A 24 80.428 -5.499 20.968 1.00 0.00 N ATOM 374 CA SER A 24 80.003 -5.010 19.628 1.00 0.00 C ATOM 375 C SER A 24 80.423 -3.549 19.440 1.00 0.00 C ATOM 376 O SER A 24 80.779 -3.136 18.354 1.00 0.00 O ATOM 377 CB SER A 24 78.484 -5.124 19.501 1.00 0.00 C ATOM 378 OG SER A 24 78.109 -4.967 18.138 1.00 0.00 O ATOM 0 H SER A 24 79.671 -5.669 21.630 1.00 0.00 H new ATOM 0 HA SER A 24 80.482 -5.618 18.861 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.149 -6.093 19.872 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.999 -4.363 20.113 1.00 0.00 H new ATOM 0 HG SER A 24 77.135 -5.042 18.056 1.00 0.00 H new ATOM 384 N ASP A 25 80.367 -2.762 20.480 1.00 0.00 N ATOM 385 CA ASP A 25 80.748 -1.324 20.346 1.00 0.00 C ATOM 386 C ASP A 25 82.206 -1.194 19.881 1.00 0.00 C ATOM 387 O ASP A 25 82.526 -0.354 19.060 1.00 0.00 O ATOM 388 CB ASP A 25 80.597 -0.632 21.699 1.00 0.00 C ATOM 389 CG ASP A 25 79.130 -0.672 22.128 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.283 -0.779 21.256 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.877 -0.593 23.320 1.00 0.00 O ATOM 0 H ASP A 25 80.075 -3.050 21.414 1.00 0.00 H new ATOM 0 HA ASP A 25 80.095 -0.858 19.608 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.219 -1.127 22.445 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.940 0.400 21.632 1.00 0.00 H new ATOM 396 N PHE A 26 83.092 -2.018 20.397 1.00 0.00 N ATOM 397 CA PHE A 26 84.536 -1.945 19.986 1.00 0.00 C ATOM 398 C PHE A 26 84.916 -3.187 19.184 1.00 0.00 C ATOM 399 O PHE A 26 86.051 -3.360 18.796 1.00 0.00 O ATOM 400 CB PHE A 26 85.410 -1.838 21.235 1.00 0.00 C ATOM 401 CG PHE A 26 85.089 -0.543 21.938 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.786 0.628 21.609 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.088 -0.508 22.919 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.480 1.831 22.260 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.782 0.691 23.568 1.00 0.00 C ATOM 406 CZ PHE A 26 84.477 1.861 23.241 1.00 0.00 C ATOM 0 H PHE A 26 82.878 -2.739 21.086 1.00 0.00 H new ATOM 0 HA PHE A 26 84.691 -1.067 19.359 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.227 -2.684 21.898 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.465 -1.869 20.962 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.558 0.603 20.854 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.552 -1.410 23.174 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.016 2.734 22.007 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.009 0.715 24.322 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.241 2.787 23.744 1.00 0.00 H new ATOM 416 N ASN A 27 83.970 -4.048 18.930 1.00 0.00 N ATOM 417 CA ASN A 27 84.266 -5.282 18.139 1.00 0.00 C ATOM 418 C ASN A 27 85.403 -6.065 18.800 1.00 0.00 C ATOM 419 O ASN A 27 86.343 -6.476 18.149 1.00 0.00 O ATOM 420 CB ASN A 27 84.682 -4.896 16.719 1.00 0.00 C ATOM 421 CG ASN A 27 83.662 -3.923 16.132 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.472 -4.116 16.277 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.084 -2.879 15.468 1.00 0.00 N ATOM 0 H ASN A 27 83.002 -3.953 19.236 1.00 0.00 H new ATOM 0 HA ASN A 27 83.371 -5.902 18.104 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.671 -4.438 16.731 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.751 -5.787 16.095 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.413 -2.223 15.069 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.085 -2.721 15.349 1.00 0.00 H new ATOM 430 N LEU A 28 85.326 -6.279 20.087 1.00 0.00 N ATOM 431 CA LEU A 28 86.400 -7.039 20.807 1.00 0.00 C ATOM 432 C LEU A 28 85.816 -8.363 21.320 1.00 0.00 C ATOM 433 O LEU A 28 84.633 -8.451 21.586 1.00 0.00 O ATOM 434 CB LEU A 28 86.879 -6.189 21.994 1.00 0.00 C ATOM 435 CG LEU A 28 87.533 -4.896 21.477 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.755 -3.936 22.647 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.885 -5.213 20.807 1.00 0.00 C ATOM 0 H LEU A 28 84.560 -5.958 20.679 1.00 0.00 H new ATOM 0 HA LEU A 28 87.236 -7.249 20.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.038 -5.948 22.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.593 -6.754 22.594 1.00 0.00 H new ATOM 0 HG LEU A 28 86.874 -4.434 20.742 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.218 -3.019 22.283 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.797 -3.699 23.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.408 -4.405 23.383 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.337 -4.290 20.446 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.549 -5.683 21.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.726 -5.891 19.969 1.00 0.00 H new ATOM 449 N PRO A 29 86.623 -9.391 21.462 1.00 0.00 N ATOM 450 CA PRO A 29 86.127 -10.709 21.952 1.00 0.00 C ATOM 451 C PRO A 29 85.555 -10.606 23.381 1.00 0.00 C ATOM 452 O PRO A 29 86.004 -9.801 24.172 1.00 0.00 O ATOM 453 CB PRO A 29 87.376 -11.618 21.917 1.00 0.00 C ATOM 454 CG PRO A 29 88.540 -10.678 21.922 1.00 0.00 C ATOM 455 CD PRO A 29 88.070 -9.425 21.182 1.00 0.00 C ATOM 0 HA PRO A 29 85.310 -11.094 21.342 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.403 -12.284 22.779 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.381 -12.248 21.027 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.844 -10.439 22.941 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.403 -11.123 21.427 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.572 -8.529 21.548 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.272 -9.489 20.113 1.00 0.00 H new ATOM 463 N PRO A 30 84.577 -11.415 23.714 1.00 0.00 N ATOM 464 CA PRO A 30 83.961 -11.397 25.067 1.00 0.00 C ATOM 465 C PRO A 30 85.009 -11.252 26.169 1.00 0.00 C ATOM 466 O PRO A 30 84.801 -10.590 27.161 1.00 0.00 O ATOM 467 CB PRO A 30 83.257 -12.757 25.177 1.00 0.00 C ATOM 468 CG PRO A 30 83.017 -13.223 23.769 1.00 0.00 C ATOM 469 CD PRO A 30 83.960 -12.431 22.846 1.00 0.00 C ATOM 0 HA PRO A 30 83.285 -10.551 25.190 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.874 -13.471 25.723 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.317 -12.665 25.722 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.207 -14.293 23.683 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.978 -13.060 23.484 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.714 -13.080 22.401 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.412 -11.969 22.025 1.00 0.00 H new ATOM 477 N VAL A 31 86.128 -11.886 26.003 1.00 0.00 N ATOM 478 CA VAL A 31 87.178 -11.813 27.049 1.00 0.00 C ATOM 479 C VAL A 31 87.487 -10.362 27.389 1.00 0.00 C ATOM 480 O VAL A 31 87.498 -9.977 28.541 1.00 0.00 O ATOM 481 CB VAL A 31 88.451 -12.501 26.531 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.630 -12.299 27.502 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.174 -14.000 26.387 1.00 0.00 C ATOM 0 H VAL A 31 86.363 -12.453 25.188 1.00 0.00 H new ATOM 0 HA VAL A 31 86.822 -12.315 27.949 1.00 0.00 H new ATOM 0 HB VAL A 31 88.719 -12.061 25.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.516 -12.797 27.108 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.832 -11.234 27.612 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.378 -12.723 28.474 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.069 -14.502 26.020 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.898 -14.414 27.357 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.357 -14.153 25.682 1.00 0.00 H new ATOM 493 N VAL A 32 87.758 -9.554 26.421 1.00 0.00 N ATOM 494 CA VAL A 32 88.080 -8.147 26.756 1.00 0.00 C ATOM 495 C VAL A 32 86.847 -7.467 27.345 1.00 0.00 C ATOM 496 O VAL A 32 86.914 -6.803 28.361 1.00 0.00 O ATOM 497 CB VAL A 32 88.536 -7.394 25.514 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.838 -5.948 25.899 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.803 -8.049 24.952 1.00 0.00 C ATOM 0 H VAL A 32 87.772 -9.794 25.430 1.00 0.00 H new ATOM 0 HA VAL A 32 88.888 -8.137 27.487 1.00 0.00 H new ATOM 0 HB VAL A 32 87.753 -7.421 24.756 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.166 -5.398 25.017 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.938 -5.484 26.303 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.626 -5.929 26.652 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.128 -7.509 24.063 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.592 -8.019 25.703 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.591 -9.085 24.689 1.00 0.00 H new ATOM 509 N ALA A 33 85.718 -7.626 26.715 1.00 0.00 N ATOM 510 CA ALA A 33 84.484 -6.985 27.239 1.00 0.00 C ATOM 511 C ALA A 33 84.105 -7.590 28.595 1.00 0.00 C ATOM 512 O ALA A 33 83.778 -6.882 29.530 1.00 0.00 O ATOM 513 CB ALA A 33 83.342 -7.204 26.248 1.00 0.00 C ATOM 0 H ALA A 33 85.597 -8.171 25.861 1.00 0.00 H new ATOM 0 HA ALA A 33 84.665 -5.918 27.367 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.435 -6.735 26.629 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.604 -6.760 25.287 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.172 -8.273 26.120 1.00 0.00 H new ATOM 519 N LYS A 34 84.140 -8.890 28.721 1.00 0.00 N ATOM 520 CA LYS A 34 83.772 -9.507 30.023 1.00 0.00 C ATOM 521 C LYS A 34 84.745 -9.080 31.118 1.00 0.00 C ATOM 522 O LYS A 34 84.364 -8.909 32.260 1.00 0.00 O ATOM 523 CB LYS A 34 83.774 -11.026 29.907 1.00 0.00 C ATOM 524 CG LYS A 34 82.588 -11.490 29.052 1.00 0.00 C ATOM 525 CD LYS A 34 82.448 -13.005 29.160 1.00 0.00 C ATOM 526 CE LYS A 34 83.774 -13.679 28.806 1.00 0.00 C ATOM 527 NZ LYS A 34 83.527 -15.096 28.424 1.00 0.00 N ATOM 0 H LYS A 34 84.405 -9.544 27.985 1.00 0.00 H new ATOM 0 HA LYS A 34 82.771 -9.166 30.287 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.709 -11.363 29.460 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.715 -11.474 30.899 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.672 -11.004 29.387 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.740 -11.201 28.012 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.150 -13.280 30.172 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.663 -13.355 28.490 1.00 0.00 H new ATOM 0 HE2 LYS A 34 84.255 -13.149 27.984 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.455 -13.634 29.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 84.430 -15.553 28.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.086 -15.598 29.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.893 -15.128 27.601 1.00 0.00 H new ATOM 541 N GLU A 35 86.001 -8.930 30.799 1.00 0.00 N ATOM 542 CA GLU A 35 86.971 -8.534 31.853 1.00 0.00 C ATOM 543 C GLU A 35 86.567 -7.178 32.430 1.00 0.00 C ATOM 544 O GLU A 35 86.679 -6.947 33.617 1.00 0.00 O ATOM 545 CB GLU A 35 88.385 -8.462 31.276 1.00 0.00 C ATOM 546 CG GLU A 35 89.415 -8.445 32.420 1.00 0.00 C ATOM 547 CD GLU A 35 89.434 -7.063 33.085 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.989 -6.116 32.457 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.895 -6.974 34.213 1.00 0.00 O ATOM 0 H GLU A 35 86.392 -9.063 29.866 1.00 0.00 H new ATOM 0 HA GLU A 35 86.962 -9.281 32.646 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.566 -9.317 30.624 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.493 -7.566 30.664 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.166 -9.209 33.156 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.405 -8.686 32.033 1.00 0.00 H new ATOM 556 N ILE A 36 86.086 -6.277 31.614 1.00 0.00 N ATOM 557 CA ILE A 36 85.672 -4.955 32.165 1.00 0.00 C ATOM 558 C ILE A 36 84.571 -5.181 33.202 1.00 0.00 C ATOM 559 O ILE A 36 84.548 -4.559 34.251 1.00 0.00 O ATOM 560 CB ILE A 36 85.163 -4.057 31.030 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.299 -3.863 30.015 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.739 -2.692 31.592 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.830 -2.973 28.865 1.00 0.00 C ATOM 0 H ILE A 36 85.964 -6.396 30.608 1.00 0.00 H new ATOM 0 HA ILE A 36 86.521 -4.462 32.638 1.00 0.00 H new ATOM 0 HB ILE A 36 84.303 -4.522 30.549 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.162 -3.412 30.505 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.621 -4.830 29.629 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.379 -2.060 30.780 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.943 -2.831 32.324 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.594 -2.215 32.072 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.643 -2.842 28.151 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.981 -3.440 28.366 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.531 -2.001 29.256 1.00 0.00 H new ATOM 575 N VAL A 37 83.673 -6.085 32.927 1.00 0.00 N ATOM 576 CA VAL A 37 82.579 -6.379 33.899 1.00 0.00 C ATOM 577 C VAL A 37 83.204 -6.932 35.177 1.00 0.00 C ATOM 578 O VAL A 37 82.778 -6.631 36.273 1.00 0.00 O ATOM 579 CB VAL A 37 81.626 -7.417 33.299 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.542 -7.781 34.320 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.970 -6.843 32.035 1.00 0.00 C ATOM 0 H VAL A 37 83.648 -6.636 32.069 1.00 0.00 H new ATOM 0 HA VAL A 37 82.019 -5.471 34.121 1.00 0.00 H new ATOM 0 HB VAL A 37 82.190 -8.313 33.041 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.868 -8.520 33.887 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.008 -8.195 35.214 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.978 -6.887 34.586 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.292 -7.583 31.609 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.411 -5.943 32.292 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.741 -6.595 31.306 1.00 0.00 H new ATOM 591 N ALA A 38 84.223 -7.736 35.034 1.00 0.00 N ATOM 592 CA ALA A 38 84.896 -8.316 36.232 1.00 0.00 C ATOM 593 C ALA A 38 85.429 -7.186 37.110 1.00 0.00 C ATOM 594 O ALA A 38 85.477 -7.301 38.316 1.00 0.00 O ATOM 595 CB ALA A 38 86.055 -9.205 35.783 1.00 0.00 C ATOM 0 H ALA A 38 84.619 -8.017 34.137 1.00 0.00 H new ATOM 0 HA ALA A 38 84.182 -8.912 36.800 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.548 -9.630 36.658 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.674 -10.010 35.155 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.771 -8.610 35.216 1.00 0.00 H new ATOM 601 N SER A 39 85.828 -6.090 36.519 1.00 0.00 N ATOM 602 CA SER A 39 86.347 -4.959 37.339 1.00 0.00 C ATOM 603 C SER A 39 85.169 -4.184 37.934 1.00 0.00 C ATOM 604 O SER A 39 85.286 -3.567 38.975 1.00 0.00 O ATOM 605 CB SER A 39 87.188 -4.022 36.474 1.00 0.00 C ATOM 606 OG SER A 39 88.297 -4.735 35.938 1.00 0.00 O ATOM 0 H SER A 39 85.817 -5.931 35.512 1.00 0.00 H new ATOM 0 HA SER A 39 86.971 -5.356 38.140 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.581 -3.613 35.666 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.538 -3.178 37.068 1.00 0.00 H new ATOM 0 HG SER A 39 88.835 -4.133 35.382 1.00 0.00 H new ATOM 612 N CYS A 40 84.028 -4.212 37.288 1.00 0.00 N ATOM 613 CA CYS A 40 82.846 -3.477 37.832 1.00 0.00 C ATOM 614 C CYS A 40 82.164 -4.334 38.902 1.00 0.00 C ATOM 615 O CYS A 40 81.449 -5.271 38.605 1.00 0.00 O ATOM 616 CB CYS A 40 81.851 -3.175 36.710 1.00 0.00 C ATOM 617 SG CYS A 40 80.401 -2.340 37.412 1.00 0.00 S ATOM 0 H CYS A 40 83.866 -4.710 36.412 1.00 0.00 H new ATOM 0 HA CYS A 40 83.181 -2.537 38.271 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.318 -2.545 35.953 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.550 -4.099 36.215 1.00 0.00 H new ATOM 622 N ASP A 41 82.390 -4.016 40.148 1.00 0.00 N ATOM 623 CA ASP A 41 81.773 -4.798 41.255 1.00 0.00 C ATOM 624 C ASP A 41 80.246 -4.748 41.158 1.00 0.00 C ATOM 625 O ASP A 41 79.561 -5.673 41.552 1.00 0.00 O ATOM 626 CB ASP A 41 82.208 -4.206 42.594 1.00 0.00 C ATOM 627 CG ASP A 41 83.688 -4.492 42.829 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.212 -5.372 42.167 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.276 -3.823 43.665 1.00 0.00 O ATOM 0 H ASP A 41 82.981 -3.241 40.448 1.00 0.00 H new ATOM 0 HA ASP A 41 82.100 -5.835 41.178 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.030 -3.131 42.601 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.613 -4.633 43.401 1.00 0.00 H new ATOM 634 N LYS A 42 79.700 -3.675 40.662 1.00 0.00 N ATOM 635 CA LYS A 42 78.213 -3.584 40.579 1.00 0.00 C ATOM 636 C LYS A 42 77.670 -4.561 39.533 1.00 0.00 C ATOM 637 O LYS A 42 76.680 -5.230 39.755 1.00 0.00 O ATOM 638 CB LYS A 42 77.820 -2.162 40.190 1.00 0.00 C ATOM 639 CG LYS A 42 78.253 -1.209 41.296 1.00 0.00 C ATOM 640 CD LYS A 42 77.764 0.198 40.979 1.00 0.00 C ATOM 641 CE LYS A 42 78.246 1.149 42.073 1.00 0.00 C ATOM 642 NZ LYS A 42 77.666 0.724 43.380 1.00 0.00 N ATOM 0 H LYS A 42 80.210 -2.864 40.313 1.00 0.00 H new ATOM 0 HA LYS A 42 77.790 -3.840 41.550 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.293 -1.885 39.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.743 -2.097 40.037 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.848 -1.539 42.253 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.339 -1.215 41.390 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.142 0.518 40.008 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.676 0.214 40.919 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.335 1.142 42.125 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.945 2.171 41.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.368 1.563 43.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.844 0.110 43.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.382 0.202 43.924 1.00 0.00 H new ATOM 656 N CYS A 43 78.297 -4.658 38.395 1.00 0.00 N ATOM 657 CA CYS A 43 77.796 -5.597 37.350 1.00 0.00 C ATOM 658 C CYS A 43 78.348 -6.996 37.604 1.00 0.00 C ATOM 659 O CYS A 43 77.831 -7.976 37.102 1.00 0.00 O ATOM 660 CB CYS A 43 78.261 -5.127 35.978 1.00 0.00 C ATOM 661 SG CYS A 43 77.396 -3.601 35.544 1.00 0.00 S ATOM 0 H CYS A 43 79.132 -4.130 38.142 1.00 0.00 H new ATOM 0 HA CYS A 43 76.707 -5.620 37.387 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.338 -4.959 35.984 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.063 -5.896 35.231 1.00 0.00 H new ATOM 666 N GLN A 44 79.398 -7.105 38.366 1.00 0.00 N ATOM 667 CA GLN A 44 79.979 -8.448 38.631 1.00 0.00 C ATOM 668 C GLN A 44 79.103 -9.201 39.628 1.00 0.00 C ATOM 669 O GLN A 44 78.444 -10.158 39.283 1.00 0.00 O ATOM 670 CB GLN A 44 81.385 -8.294 39.199 1.00 0.00 C ATOM 671 CG GLN A 44 82.039 -9.672 39.332 1.00 0.00 C ATOM 672 CD GLN A 44 83.433 -9.503 39.927 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.998 -8.329 39.893 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.013 -10.444 40.426 1.00 0.00 N ATOM 0 H GLN A 44 79.878 -6.325 38.815 1.00 0.00 H new ATOM 0 HA GLN A 44 80.026 -9.010 37.698 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.984 -7.658 38.547 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.343 -7.805 40.172 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.433 -10.317 39.969 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.102 -10.155 38.357 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.569 -11.362 40.451 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.945 -10.318 40.820 1.00 0.00 H new ATOM 683 N LEU A 45 79.081 -8.783 40.861 1.00 0.00 N ATOM 684 CA LEU A 45 78.234 -9.490 41.859 1.00 0.00 C ATOM 685 C LEU A 45 76.808 -8.961 41.738 1.00 0.00 C ATOM 686 O LEU A 45 76.410 -8.045 42.432 1.00 0.00 O ATOM 687 CB LEU A 45 78.740 -9.205 43.270 1.00 0.00 C ATOM 688 CG LEU A 45 80.245 -9.479 43.369 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.764 -8.971 44.713 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.513 -10.984 43.261 1.00 0.00 C ATOM 0 H LEU A 45 79.609 -7.987 41.220 1.00 0.00 H new ATOM 0 HA LEU A 45 78.270 -10.563 41.673 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.536 -8.167 43.533 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.204 -9.827 43.987 1.00 0.00 H new ATOM 0 HG LEU A 45 80.756 -8.964 42.555 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.834 -9.164 44.786 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.583 -7.899 44.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.246 -9.487 45.522 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.585 -11.169 43.332 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.000 -11.504 44.070 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.145 -11.351 42.303 1.00 0.00 H new ATOM 702 N LYS A 46 76.038 -9.522 40.851 1.00 0.00 N ATOM 703 CA LYS A 46 74.627 -9.054 40.667 1.00 0.00 C ATOM 704 C LYS A 46 73.691 -9.909 41.523 1.00 0.00 C ATOM 705 O LYS A 46 72.561 -9.549 41.787 1.00 0.00 O ATOM 706 CB LYS A 46 74.235 -9.205 39.192 1.00 0.00 C ATOM 707 CG LYS A 46 72.950 -8.407 38.897 1.00 0.00 C ATOM 708 CD LYS A 46 73.283 -6.933 38.640 1.00 0.00 C ATOM 709 CE LYS A 46 72.025 -6.219 38.143 1.00 0.00 C ATOM 710 NZ LYS A 46 71.660 -6.736 36.795 1.00 0.00 N ATOM 0 H LYS A 46 76.321 -10.288 40.240 1.00 0.00 H new ATOM 0 HA LYS A 46 74.547 -8.009 40.968 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.046 -8.851 38.555 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.080 -10.258 38.956 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.444 -8.829 38.029 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.262 -8.490 39.738 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.646 -6.464 39.554 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.080 -6.850 37.901 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.203 -6.380 38.841 1.00 0.00 H new ATOM 0 HE3 LYS A 46 72.198 -5.144 38.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.112 -6.015 36.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.525 -6.956 36.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.087 -7.598 36.897 1.00 0.00 H new ATOM 724 N GLY A 47 74.155 -11.044 41.950 1.00 0.00 N ATOM 725 CA GLY A 47 73.297 -11.934 42.773 1.00 0.00 C ATOM 726 C GLY A 47 73.992 -13.283 42.921 1.00 0.00 C ATOM 727 O GLY A 47 73.642 -14.092 43.756 1.00 0.00 O ATOM 0 H GLY A 47 75.094 -11.396 41.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.122 -11.490 43.753 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.322 -12.061 42.302 1.00 0.00 H new ATOM 731 N GLU A 48 74.989 -13.527 42.120 1.00 0.00 N ATOM 732 CA GLU A 48 75.725 -14.817 42.218 1.00 0.00 C ATOM 733 C GLU A 48 76.536 -14.804 43.518 1.00 0.00 C ATOM 734 O GLU A 48 77.179 -15.767 43.880 1.00 0.00 O ATOM 735 CB GLU A 48 76.663 -14.954 41.011 1.00 0.00 C ATOM 736 CG GLU A 48 77.192 -16.394 40.916 1.00 0.00 C ATOM 737 CD GLU A 48 78.116 -16.515 39.701 1.00 0.00 C ATOM 738 OE1 GLU A 48 78.255 -15.534 38.995 1.00 0.00 O ATOM 739 OE2 GLU A 48 78.661 -17.589 39.494 1.00 0.00 O ATOM 0 H GLU A 48 75.327 -12.888 41.400 1.00 0.00 H new ATOM 0 HA GLU A 48 75.033 -15.659 42.222 1.00 0.00 H new ATOM 0 HB2 GLU A 48 76.132 -14.692 40.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 77.496 -14.258 41.107 1.00 0.00 H new ATOM 0 HG2 GLU A 48 77.732 -16.656 41.826 1.00 0.00 H new ATOM 0 HG3 GLU A 48 76.361 -17.094 40.826 1.00 0.00 H new ATOM 746 N ALA A 49 76.498 -13.706 44.221 1.00 0.00 N ATOM 747 CA ALA A 49 77.254 -13.601 45.502 1.00 0.00 C ATOM 748 C ALA A 49 76.781 -14.690 46.473 1.00 0.00 C ATOM 749 O ALA A 49 75.683 -15.205 46.372 1.00 0.00 O ATOM 750 CB ALA A 49 77.026 -12.209 46.113 1.00 0.00 C ATOM 0 H ALA A 49 75.972 -12.871 43.962 1.00 0.00 H new ATOM 0 HA ALA A 49 78.318 -13.739 45.313 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.577 -12.128 47.050 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.376 -11.445 45.419 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.963 -12.065 46.304 1.00 0.00 H new ATOM 756 N MET A 50 77.615 -15.044 47.412 1.00 0.00 N ATOM 757 CA MET A 50 77.248 -16.101 48.395 1.00 0.00 C ATOM 758 C MET A 50 75.939 -15.730 49.101 1.00 0.00 C ATOM 759 O MET A 50 75.171 -16.593 49.481 1.00 0.00 O ATOM 760 CB MET A 50 78.375 -16.233 49.423 1.00 0.00 C ATOM 761 CG MET A 50 78.125 -17.457 50.309 1.00 0.00 C ATOM 762 SD MET A 50 79.618 -17.826 51.267 1.00 0.00 S ATOM 763 CE MET A 50 79.104 -19.455 51.861 1.00 0.00 C ATOM 0 H MET A 50 78.544 -14.642 47.541 1.00 0.00 H new ATOM 0 HA MET A 50 77.107 -17.050 47.878 1.00 0.00 H new ATOM 0 HB2 MET A 50 79.334 -16.330 48.915 1.00 0.00 H new ATOM 0 HB3 MET A 50 78.428 -15.333 50.036 1.00 0.00 H new ATOM 0 HG2 MET A 50 77.287 -17.268 50.980 1.00 0.00 H new ATOM 0 HG3 MET A 50 77.854 -18.315 49.694 1.00 0.00 H new ATOM 0 HE1 MET A 50 79.890 -19.879 52.486 1.00 0.00 H new ATOM 0 HE2 MET A 50 78.189 -19.357 52.445 1.00 0.00 H new ATOM 0 HE3 MET A 50 78.923 -20.112 51.010 1.00 0.00 H new ATOM 773 N HIS A 51 75.670 -14.460 49.276 1.00 0.00 N ATOM 774 CA HIS A 51 74.404 -14.045 49.955 1.00 0.00 C ATOM 775 C HIS A 51 74.191 -14.903 51.205 1.00 0.00 C ATOM 776 O HIS A 51 75.108 -15.530 51.699 1.00 0.00 O ATOM 777 CB HIS A 51 73.226 -14.238 48.994 1.00 0.00 C ATOM 778 CG HIS A 51 72.021 -13.494 49.504 1.00 0.00 C ATOM 779 ND1 HIS A 51 72.092 -12.179 49.940 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.706 -13.864 49.636 1.00 0.00 C ATOM 781 CE1 HIS A 51 70.851 -11.808 50.310 1.00 0.00 C ATOM 782 NE2 HIS A 51 69.971 -12.796 50.144 1.00 0.00 N ATOM 0 H HIS A 51 76.272 -13.693 48.978 1.00 0.00 H new ATOM 0 HA HIS A 51 74.471 -12.996 50.243 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.493 -13.878 48.001 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.995 -15.299 48.897 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.303 -14.834 49.385 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.600 -10.830 50.694 1.00 0.00 H new ATOM 0 HE2 HIS A 51 68.971 -12.774 50.346 1.00 0.00 H new ATOM 790 N GLY A 52 72.995 -14.947 51.720 1.00 0.00 N ATOM 791 CA GLY A 52 72.748 -15.781 52.932 1.00 0.00 C ATOM 792 C GLY A 52 71.280 -15.687 53.343 1.00 0.00 C ATOM 793 O GLY A 52 70.520 -14.905 52.804 1.00 0.00 O ATOM 0 H GLY A 52 72.183 -14.447 51.359 1.00 0.00 H new ATOM 0 HA2 GLY A 52 73.011 -16.819 52.729 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.385 -15.445 53.750 1.00 0.00 H new ATOM 797 N GLN A 53 70.880 -16.482 54.302 1.00 0.00 N ATOM 798 CA GLN A 53 69.466 -16.455 54.766 1.00 0.00 C ATOM 799 C GLN A 53 69.416 -16.922 56.226 1.00 0.00 C ATOM 800 O GLN A 53 69.421 -18.104 56.511 1.00 0.00 O ATOM 801 CB GLN A 53 68.637 -17.393 53.877 1.00 0.00 C ATOM 802 CG GLN A 53 67.153 -17.295 54.240 1.00 0.00 C ATOM 803 CD GLN A 53 66.341 -18.185 53.298 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.864 -18.698 52.330 1.00 0.00 O ATOM 805 NE2 GLN A 53 65.073 -18.379 53.539 1.00 0.00 N ATOM 0 H GLN A 53 71.478 -17.152 54.785 1.00 0.00 H new ATOM 0 HA GLN A 53 69.058 -15.446 54.700 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.780 -17.132 52.828 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.981 -18.420 54.000 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.999 -17.604 55.274 1.00 0.00 H new ATOM 0 HG3 GLN A 53 66.816 -16.261 54.163 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.637 -17.947 54.353 1.00 0.00 H new ATOM 0 HE22 GLN A 53 64.518 -18.963 52.913 1.00 0.00 H new ATOM 814 N VAL A 54 69.381 -16.002 57.157 1.00 0.00 N ATOM 815 CA VAL A 54 69.341 -16.392 58.600 1.00 0.00 C ATOM 816 C VAL A 54 70.431 -17.444 58.866 1.00 0.00 C ATOM 817 O VAL A 54 71.465 -17.448 58.229 1.00 0.00 O ATOM 818 CB VAL A 54 67.949 -16.951 58.959 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.681 -16.770 60.462 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.867 -16.196 58.174 1.00 0.00 C ATOM 0 H VAL A 54 69.378 -14.997 56.980 1.00 0.00 H new ATOM 0 HA VAL A 54 69.527 -15.517 59.223 1.00 0.00 H new ATOM 0 HB VAL A 54 67.924 -18.011 58.704 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.696 -17.167 60.706 1.00 0.00 H new ATOM 0 HG12 VAL A 54 68.440 -17.304 61.034 1.00 0.00 H new ATOM 0 HG13 VAL A 54 67.717 -15.710 60.713 1.00 0.00 H new ATOM 0 HG21 VAL A 54 65.886 -16.595 58.431 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.906 -15.137 58.428 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.040 -16.320 57.105 1.00 0.00 H new ATOM 830 N ASP A 55 70.214 -18.335 59.799 1.00 0.00 N ATOM 831 CA ASP A 55 71.244 -19.375 60.102 1.00 0.00 C ATOM 832 C ASP A 55 71.061 -20.570 59.165 1.00 0.00 C ATOM 833 O ASP A 55 71.946 -20.806 58.361 1.00 0.00 O ATOM 834 CB ASP A 55 71.084 -19.838 61.549 1.00 0.00 C ATOM 835 CG ASP A 55 71.450 -18.693 62.496 1.00 0.00 C ATOM 836 OD1 ASP A 55 72.092 -17.758 62.046 1.00 0.00 O ATOM 837 OD2 ASP A 55 71.078 -18.768 63.655 1.00 0.00 O ATOM 838 OXT ASP A 55 70.034 -21.221 59.261 1.00 0.00 O ATOM 0 H ASP A 55 69.367 -18.388 60.365 1.00 0.00 H new ATOM 0 HA ASP A 55 72.238 -18.952 59.958 1.00 0.00 H new ATOM 0 HB2 ASP A 55 70.057 -20.158 61.728 1.00 0.00 H new ATOM 0 HB3 ASP A 55 71.724 -20.700 61.739 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.467 -14.087 21.296 1.00 0.00 N ATOM 845 CA PHE B 1 92.764 -13.995 22.606 1.00 0.00 C ATOM 846 C PHE B 1 92.281 -15.380 23.040 1.00 0.00 C ATOM 847 O PHE B 1 92.665 -15.895 24.067 1.00 0.00 O ATOM 848 CB PHE B 1 91.533 -13.090 22.474 1.00 0.00 C ATOM 849 CG PHE B 1 91.947 -11.654 22.285 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.368 -11.212 21.025 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.894 -10.756 23.362 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.735 -9.876 20.842 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.263 -9.420 23.177 1.00 0.00 C ATOM 854 CZ PHE B 1 92.683 -8.978 21.916 1.00 0.00 C ATOM 0 H1 PHE B 1 93.521 -13.142 20.864 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.428 -14.456 21.443 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.943 -14.727 20.665 1.00 0.00 H new ATOM 0 HA PHE B 1 93.460 -13.589 23.340 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.927 -13.413 21.628 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.911 -13.180 23.365 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.409 -11.903 20.196 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.568 -11.097 24.334 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.060 -9.535 19.870 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.224 -8.729 24.006 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.966 -7.946 21.772 1.00 0.00 H new ATOM 866 N LEU B 2 91.398 -15.963 22.274 1.00 0.00 N ATOM 867 CA LEU B 2 90.838 -17.293 22.648 1.00 0.00 C ATOM 868 C LEU B 2 91.883 -18.401 22.495 1.00 0.00 C ATOM 869 O LEU B 2 91.900 -19.348 23.256 1.00 0.00 O ATOM 870 CB LEU B 2 89.643 -17.610 21.741 1.00 0.00 C ATOM 871 CG LEU B 2 88.675 -16.425 21.717 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.461 -16.781 20.849 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.210 -16.100 23.148 1.00 0.00 C ATOM 0 H LEU B 2 91.040 -15.573 21.402 1.00 0.00 H new ATOM 0 HA LEU B 2 90.529 -17.250 23.692 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.990 -17.827 20.731 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.130 -18.502 22.100 1.00 0.00 H new ATOM 0 HG LEU B 2 89.180 -15.553 21.301 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.769 -15.939 20.829 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.792 -17.003 19.834 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.959 -17.654 21.266 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.521 -15.256 23.124 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.705 -16.968 23.573 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.074 -15.846 23.762 1.00 0.00 H new ATOM 885 N ASP B 3 92.730 -18.318 21.509 1.00 0.00 N ATOM 886 CA ASP B 3 93.744 -19.397 21.309 1.00 0.00 C ATOM 887 C ASP B 3 94.759 -19.421 22.460 1.00 0.00 C ATOM 888 O ASP B 3 95.003 -20.447 23.070 1.00 0.00 O ATOM 889 CB ASP B 3 94.482 -19.153 19.990 1.00 0.00 C ATOM 890 CG ASP B 3 95.298 -20.396 19.625 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.281 -21.336 20.400 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.923 -20.388 18.575 1.00 0.00 O ATOM 0 H ASP B 3 92.767 -17.554 20.834 1.00 0.00 H new ATOM 0 HA ASP B 3 93.229 -20.357 21.284 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.768 -18.928 19.198 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.139 -18.288 20.083 1.00 0.00 H new ATOM 897 N GLY B 4 95.359 -18.302 22.759 1.00 0.00 N ATOM 898 CA GLY B 4 96.364 -18.265 23.858 1.00 0.00 C ATOM 899 C GLY B 4 95.684 -18.578 25.195 1.00 0.00 C ATOM 900 O GLY B 4 96.177 -19.350 25.993 1.00 0.00 O ATOM 0 H GLY B 4 95.197 -17.411 22.289 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.155 -18.989 23.664 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.834 -17.283 23.900 1.00 0.00 H new ATOM 904 N ILE B 5 94.549 -17.983 25.435 1.00 0.00 N ATOM 905 CA ILE B 5 93.823 -18.233 26.711 1.00 0.00 C ATOM 906 C ILE B 5 93.478 -19.711 26.832 1.00 0.00 C ATOM 907 O ILE B 5 93.547 -20.284 27.898 1.00 0.00 O ATOM 908 CB ILE B 5 92.546 -17.399 26.716 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.940 -15.924 26.838 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.658 -17.790 27.901 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.737 -15.018 26.561 1.00 0.00 C ATOM 0 H ILE B 5 94.091 -17.331 24.799 1.00 0.00 H new ATOM 0 HA ILE B 5 94.452 -17.953 27.556 1.00 0.00 H new ATOM 0 HB ILE B 5 91.989 -17.573 25.796 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.327 -15.727 27.838 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.742 -15.697 26.135 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.751 -17.186 27.891 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.393 -18.844 27.825 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.198 -17.618 28.832 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.039 -13.975 26.653 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.368 -15.202 25.552 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.947 -15.232 27.281 1.00 0.00 H new ATOM 923 N ASP B 6 93.091 -20.327 25.755 1.00 0.00 N ATOM 924 CA ASP B 6 92.724 -21.760 25.825 1.00 0.00 C ATOM 925 C ASP B 6 93.869 -22.538 26.456 1.00 0.00 C ATOM 926 O ASP B 6 93.663 -23.364 27.323 1.00 0.00 O ATOM 927 CB ASP B 6 92.472 -22.279 24.412 1.00 0.00 C ATOM 928 CG ASP B 6 91.891 -23.690 24.484 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.904 -24.258 25.561 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.442 -24.177 23.459 1.00 0.00 O ATOM 0 H ASP B 6 93.014 -19.900 24.832 1.00 0.00 H new ATOM 0 HA ASP B 6 91.824 -21.885 26.427 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.783 -21.617 23.887 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.402 -22.286 23.844 1.00 0.00 H new ATOM 935 N LYS B 7 95.074 -22.276 26.042 1.00 0.00 N ATOM 936 CA LYS B 7 96.223 -23.002 26.642 1.00 0.00 C ATOM 937 C LYS B 7 96.409 -22.543 28.085 1.00 0.00 C ATOM 938 O LYS B 7 96.651 -23.334 28.972 1.00 0.00 O ATOM 939 CB LYS B 7 97.497 -22.693 25.862 1.00 0.00 C ATOM 940 CG LYS B 7 97.384 -23.221 24.436 1.00 0.00 C ATOM 941 CD LYS B 7 98.755 -23.127 23.768 1.00 0.00 C ATOM 942 CE LYS B 7 98.687 -23.724 22.362 1.00 0.00 C ATOM 943 NZ LYS B 7 97.835 -22.869 21.494 1.00 0.00 N ATOM 0 H LYS B 7 95.312 -21.596 25.320 1.00 0.00 H new ATOM 0 HA LYS B 7 96.025 -24.073 26.609 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.670 -21.617 25.846 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.355 -23.147 26.358 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.037 -24.254 24.442 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.650 -22.642 23.876 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.074 -22.086 23.716 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.497 -23.659 24.363 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.689 -23.802 21.941 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.280 -24.734 22.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.990 -23.123 20.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.834 -23.016 21.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.084 -21.870 21.640 1.00 0.00 H new ATOM 957 N ALA B 8 96.294 -21.268 28.321 1.00 0.00 N ATOM 958 CA ALA B 8 96.458 -20.748 29.701 1.00 0.00 C ATOM 959 C ALA B 8 95.298 -21.240 30.565 1.00 0.00 C ATOM 960 O ALA B 8 95.456 -21.534 31.736 1.00 0.00 O ATOM 961 CB ALA B 8 96.475 -19.218 29.681 1.00 0.00 C ATOM 0 H ALA B 8 96.093 -20.562 27.613 1.00 0.00 H new ATOM 0 HA ALA B 8 97.400 -21.107 30.115 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.596 -18.842 30.697 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.305 -18.871 29.065 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.537 -18.849 29.267 1.00 0.00 H new ATOM 967 N GLN B 9 94.128 -21.320 29.995 1.00 0.00 N ATOM 968 CA GLN B 9 92.954 -21.779 30.780 1.00 0.00 C ATOM 969 C GLN B 9 93.244 -23.161 31.352 1.00 0.00 C ATOM 970 O GLN B 9 92.948 -23.442 32.496 1.00 0.00 O ATOM 971 CB GLN B 9 91.734 -21.843 29.863 1.00 0.00 C ATOM 972 CG GLN B 9 90.469 -22.063 30.695 1.00 0.00 C ATOM 973 CD GLN B 9 89.264 -22.201 29.763 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.406 -22.149 28.558 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.075 -22.366 30.273 1.00 0.00 N ATOM 0 H GLN B 9 93.936 -21.087 29.021 1.00 0.00 H new ATOM 0 HA GLN B 9 92.756 -21.085 31.597 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.648 -20.918 29.292 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.852 -22.653 29.143 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.574 -22.959 31.306 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.320 -21.227 31.378 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.956 -22.410 31.285 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.264 -22.451 29.660 1.00 0.00 H new ATOM 984 N GLU B 10 93.846 -24.025 30.582 1.00 0.00 N ATOM 985 CA GLU B 10 94.168 -25.371 31.119 1.00 0.00 C ATOM 986 C GLU B 10 95.131 -25.205 32.299 1.00 0.00 C ATOM 987 O GLU B 10 95.008 -25.870 33.305 1.00 0.00 O ATOM 988 CB GLU B 10 94.816 -26.224 30.024 1.00 0.00 C ATOM 989 CG GLU B 10 94.896 -27.683 30.483 1.00 0.00 C ATOM 990 CD GLU B 10 93.506 -28.319 30.419 1.00 0.00 C ATOM 991 OE1 GLU B 10 92.576 -27.620 30.057 1.00 0.00 O ATOM 992 OE2 GLU B 10 93.393 -29.491 30.747 1.00 0.00 O ATOM 0 H GLU B 10 94.125 -23.858 29.615 1.00 0.00 H new ATOM 0 HA GLU B 10 93.258 -25.870 31.453 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.236 -26.154 29.104 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.814 -25.848 29.800 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.589 -28.236 29.850 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.284 -27.734 31.500 1.00 0.00 H new ATOM 999 N GLU B 11 96.079 -24.310 32.183 1.00 0.00 N ATOM 1000 CA GLU B 11 97.044 -24.088 33.303 1.00 0.00 C ATOM 1001 C GLU B 11 96.289 -23.611 34.544 1.00 0.00 C ATOM 1002 O GLU B 11 96.579 -24.022 35.651 1.00 0.00 O ATOM 1003 CB GLU B 11 98.076 -23.031 32.886 1.00 0.00 C ATOM 1004 CG GLU B 11 99.294 -23.094 33.809 1.00 0.00 C ATOM 1005 CD GLU B 11 100.158 -24.293 33.434 1.00 0.00 C ATOM 1006 OE1 GLU B 11 99.784 -25.005 32.516 1.00 0.00 O ATOM 1007 OE2 GLU B 11 101.174 -24.485 34.076 1.00 0.00 O ATOM 0 H GLU B 11 96.227 -23.723 31.362 1.00 0.00 H new ATOM 0 HA GLU B 11 97.556 -25.022 33.532 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.383 -23.199 31.854 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.629 -22.038 32.928 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.874 -22.175 33.726 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.972 -23.175 34.847 1.00 0.00 H new ATOM 1014 N HIS B 12 95.317 -22.751 34.375 1.00 0.00 N ATOM 1015 CA HIS B 12 94.551 -22.267 35.556 1.00 0.00 C ATOM 1016 C HIS B 12 93.842 -23.440 36.220 1.00 0.00 C ATOM 1017 O HIS B 12 93.840 -23.584 37.423 1.00 0.00 O ATOM 1018 CB HIS B 12 93.489 -21.250 35.127 1.00 0.00 C ATOM 1019 CG HIS B 12 92.805 -20.759 36.367 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.025 -19.478 36.891 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.997 -21.403 37.269 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.371 -19.408 38.067 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.750 -20.549 38.315 1.00 0.00 N ATOM 0 H HIS B 12 95.024 -22.367 33.476 1.00 0.00 H new ATOM 0 HA HIS B 12 95.251 -21.799 36.248 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.948 -20.421 34.589 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.770 -21.710 34.450 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.578 -18.736 36.462 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.619 -22.410 37.173 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.356 -18.544 38.714 1.00 0.00 H new ATOM 1031 N GLU B 13 93.220 -24.271 35.435 1.00 0.00 N ATOM 1032 CA GLU B 13 92.480 -25.432 36.004 1.00 0.00 C ATOM 1033 C GLU B 13 93.436 -26.341 36.784 1.00 0.00 C ATOM 1034 O GLU B 13 93.111 -26.847 37.841 1.00 0.00 O ATOM 1035 CB GLU B 13 91.857 -26.227 34.854 1.00 0.00 C ATOM 1036 CG GLU B 13 90.899 -27.275 35.424 1.00 0.00 C ATOM 1037 CD GLU B 13 90.314 -28.117 34.287 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.701 -27.894 33.152 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.481 -28.961 34.571 1.00 0.00 O ATOM 0 H GLU B 13 93.191 -24.197 34.418 1.00 0.00 H new ATOM 0 HA GLU B 13 91.706 -25.071 36.681 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.322 -25.557 34.181 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.637 -26.712 34.267 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.426 -27.917 36.130 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.097 -26.785 35.976 1.00 0.00 H new ATOM 1046 N LYS B 14 94.601 -26.573 36.248 1.00 0.00 N ATOM 1047 CA LYS B 14 95.584 -27.469 36.917 1.00 0.00 C ATOM 1048 C LYS B 14 96.027 -26.951 38.289 1.00 0.00 C ATOM 1049 O LYS B 14 96.273 -27.734 39.186 1.00 0.00 O ATOM 1050 CB LYS B 14 96.814 -27.612 36.018 1.00 0.00 C ATOM 1051 CG LYS B 14 96.435 -28.397 34.760 1.00 0.00 C ATOM 1052 CD LYS B 14 97.629 -28.448 33.795 1.00 0.00 C ATOM 1053 CE LYS B 14 98.670 -29.465 34.284 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.667 -29.706 33.202 1.00 0.00 N ATOM 0 H LYS B 14 94.918 -26.175 35.364 1.00 0.00 H new ATOM 0 HA LYS B 14 95.093 -28.429 37.077 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.195 -26.628 35.745 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.612 -28.126 36.554 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.131 -29.408 35.030 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.581 -27.927 34.271 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.286 -28.720 32.797 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.084 -27.461 33.717 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.169 -29.091 35.178 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.181 -30.400 34.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.374 -30.395 33.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.183 -30.080 32.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.140 -28.812 32.960 1.00 0.00 H new ATOM 1068 N TYR B 15 96.194 -25.656 38.454 1.00 0.00 N ATOM 1069 CA TYR B 15 96.700 -25.126 39.768 1.00 0.00 C ATOM 1070 C TYR B 15 95.905 -23.915 40.272 1.00 0.00 C ATOM 1071 O TYR B 15 96.218 -23.367 41.309 1.00 0.00 O ATOM 1072 CB TYR B 15 98.155 -24.690 39.569 1.00 0.00 C ATOM 1073 CG TYR B 15 98.903 -25.724 38.758 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.554 -26.778 39.400 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.960 -25.612 37.361 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.261 -27.725 38.651 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.669 -26.558 36.607 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.320 -27.615 37.253 1.00 0.00 C ATOM 1079 OH TYR B 15 101.022 -28.545 36.519 1.00 0.00 O ATOM 0 H TYR B 15 96.004 -24.949 37.744 1.00 0.00 H new ATOM 0 HA TYR B 15 96.596 -25.919 40.509 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.187 -23.726 39.061 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.638 -24.557 40.537 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.512 -26.863 40.476 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.457 -24.795 36.865 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.762 -28.542 39.149 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.713 -26.471 35.531 1.00 0.00 H new ATOM 0 HH TYR B 15 101.005 -29.408 36.983 1.00 0.00 H new ATOM 1089 N HIS B 16 94.926 -23.450 39.549 1.00 0.00 N ATOM 1090 CA HIS B 16 94.187 -22.238 40.008 1.00 0.00 C ATOM 1091 C HIS B 16 95.216 -21.145 40.270 1.00 0.00 C ATOM 1092 O HIS B 16 95.145 -20.426 41.242 1.00 0.00 O ATOM 1093 CB HIS B 16 93.395 -22.512 41.293 1.00 0.00 C ATOM 1094 CG HIS B 16 92.188 -23.370 41.010 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.998 -22.873 40.488 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.935 -24.708 41.229 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.100 -23.856 40.416 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.621 -25.007 40.854 1.00 0.00 N ATOM 0 H HIS B 16 94.606 -23.851 38.667 1.00 0.00 H new ATOM 0 HA HIS B 16 93.472 -21.939 39.241 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.036 -23.009 42.021 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.079 -21.569 41.738 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.644 -25.417 41.629 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.090 -23.739 40.053 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.157 -25.914 40.904 1.00 0.00 H new ATOM 1106 N SER B 17 96.189 -21.037 39.409 1.00 0.00 N ATOM 1107 CA SER B 17 97.244 -20.012 39.607 1.00 0.00 C ATOM 1108 C SER B 17 96.631 -18.610 39.567 1.00 0.00 C ATOM 1109 O SER B 17 95.599 -18.392 38.964 1.00 0.00 O ATOM 1110 CB SER B 17 98.297 -20.152 38.502 1.00 0.00 C ATOM 1111 OG SER B 17 97.680 -19.967 37.232 1.00 0.00 O ATOM 0 H SER B 17 96.297 -21.616 38.576 1.00 0.00 H new ATOM 0 HA SER B 17 97.713 -20.160 40.580 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.089 -19.416 38.644 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.763 -21.136 38.552 1.00 0.00 H new ATOM 0 HG SER B 17 98.246 -20.357 36.533 1.00 0.00 H new ATOM 1117 N ASN B 18 97.257 -17.653 40.205 1.00 0.00 N ATOM 1118 CA ASN B 18 96.710 -16.268 40.197 1.00 0.00 C ATOM 1119 C ASN B 18 96.968 -15.630 38.835 1.00 0.00 C ATOM 1120 O ASN B 18 97.781 -16.096 38.066 1.00 0.00 O ATOM 1121 CB ASN B 18 97.377 -15.428 41.281 1.00 0.00 C ATOM 1122 CG ASN B 18 97.085 -16.031 42.655 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.133 -16.766 42.817 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.866 -15.738 43.657 1.00 0.00 N ATOM 0 H ASN B 18 98.123 -17.774 40.730 1.00 0.00 H new ATOM 0 HA ASN B 18 95.638 -16.311 40.391 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.453 -15.388 41.112 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.009 -14.403 41.238 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.678 -16.127 44.581 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.665 -15.120 43.517 1.00 0.00 H new ATOM 1131 N TRP B 19 96.277 -14.573 38.530 1.00 0.00 N ATOM 1132 CA TRP B 19 96.479 -13.917 37.211 1.00 0.00 C ATOM 1133 C TRP B 19 97.939 -13.467 37.055 1.00 0.00 C ATOM 1134 O TRP B 19 98.463 -13.422 35.962 1.00 0.00 O ATOM 1135 CB TRP B 19 95.524 -12.719 37.079 1.00 0.00 C ATOM 1136 CG TRP B 19 95.980 -11.577 37.937 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.492 -11.283 39.165 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.990 -10.568 37.646 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.130 -10.158 39.643 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.066 -9.680 38.746 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.839 -10.338 36.548 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.952 -8.600 38.755 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.730 -9.253 36.555 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.788 -8.386 37.652 1.00 0.00 C ATOM 0 H TRP B 19 95.582 -14.134 39.134 1.00 0.00 H new ATOM 0 HA TRP B 19 96.259 -14.632 36.418 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.475 -12.400 36.038 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.517 -13.018 37.369 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.727 -11.839 39.686 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.935 -9.731 40.548 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.805 -11.000 35.695 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.992 -7.936 39.606 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.376 -9.086 35.706 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.476 -7.554 37.648 1.00 0.00 H new ATOM 1155 N ARG B 20 98.605 -13.137 38.126 1.00 0.00 N ATOM 1156 CA ARG B 20 100.029 -12.696 37.998 1.00 0.00 C ATOM 1157 C ARG B 20 100.886 -13.843 37.472 1.00 0.00 C ATOM 1158 O ARG B 20 101.751 -13.653 36.636 1.00 0.00 O ATOM 1159 CB ARG B 20 100.562 -12.258 39.368 1.00 0.00 C ATOM 1160 CG ARG B 20 99.837 -10.993 39.830 1.00 0.00 C ATOM 1161 CD ARG B 20 100.449 -10.484 41.135 1.00 0.00 C ATOM 1162 NE ARG B 20 100.279 -11.504 42.215 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.954 -11.390 43.327 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.771 -10.385 43.493 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.812 -12.274 44.276 1.00 0.00 N ATOM 0 H ARG B 20 98.234 -13.152 39.076 1.00 0.00 H new ATOM 0 HA ARG B 20 100.076 -11.859 37.301 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.418 -13.056 40.096 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.634 -12.071 39.308 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.907 -10.223 39.062 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.777 -11.204 39.974 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.508 -10.270 40.990 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.972 -9.549 41.429 1.00 0.00 H new ATOM 0 HE ARG B 20 99.638 -12.286 42.084 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.881 -9.690 42.755 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.299 -10.295 44.361 1.00 0.00 H new ATOM 0 HH21 ARG B 20 100.172 -13.058 44.151 1.00 0.00 H new ATOM 0 HH22 ARG B 20 101.341 -12.181 45.143 1.00 0.00 H new ATOM 1179 N ALA B 21 100.651 -15.031 37.953 1.00 0.00 N ATOM 1180 CA ALA B 21 101.453 -16.190 37.485 1.00 0.00 C ATOM 1181 C ALA B 21 101.100 -16.487 36.025 1.00 0.00 C ATOM 1182 O ALA B 21 101.966 -16.637 35.187 1.00 0.00 O ATOM 1183 CB ALA B 21 101.143 -17.405 38.372 1.00 0.00 C ATOM 0 H ALA B 21 99.938 -15.248 38.650 1.00 0.00 H new ATOM 0 HA ALA B 21 102.518 -15.966 37.552 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.728 -18.261 38.035 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.399 -17.175 39.406 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.081 -17.643 38.305 1.00 0.00 H new ATOM 1189 N MET B 22 99.838 -16.570 35.717 1.00 0.00 N ATOM 1190 CA MET B 22 99.437 -16.849 34.313 1.00 0.00 C ATOM 1191 C MET B 22 99.949 -15.736 33.407 1.00 0.00 C ATOM 1192 O MET B 22 100.446 -15.979 32.322 1.00 0.00 O ATOM 1193 CB MET B 22 97.914 -16.916 34.223 1.00 0.00 C ATOM 1194 CG MET B 22 97.410 -18.069 35.088 1.00 0.00 C ATOM 1195 SD MET B 22 95.667 -18.395 34.721 1.00 0.00 S ATOM 1196 CE MET B 22 94.976 -16.920 35.508 1.00 0.00 C ATOM 0 H MET B 22 99.068 -16.457 36.376 1.00 0.00 H new ATOM 0 HA MET B 22 99.863 -17.801 33.996 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.476 -15.976 34.558 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.605 -17.060 33.188 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.004 -18.963 34.900 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.529 -17.823 36.143 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.892 -17.015 35.570 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.389 -16.815 36.511 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.230 -16.040 34.917 1.00 0.00 H new ATOM 1206 N ALA B 23 99.838 -14.516 33.840 1.00 0.00 N ATOM 1207 CA ALA B 23 100.322 -13.395 32.993 1.00 0.00 C ATOM 1208 C ALA B 23 101.798 -13.619 32.664 1.00 0.00 C ATOM 1209 O ALA B 23 102.214 -13.514 31.527 1.00 0.00 O ATOM 1210 CB ALA B 23 100.156 -12.074 33.748 1.00 0.00 C ATOM 0 H ALA B 23 99.436 -14.246 34.738 1.00 0.00 H new ATOM 0 HA ALA B 23 99.744 -13.354 32.070 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.511 -11.252 33.126 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.103 -11.920 33.986 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.735 -12.107 34.671 1.00 0.00 H new ATOM 1216 N SER B 24 102.596 -13.929 33.646 1.00 0.00 N ATOM 1217 CA SER B 24 104.044 -14.152 33.373 1.00 0.00 C ATOM 1218 C SER B 24 104.234 -15.443 32.578 1.00 0.00 C ATOM 1219 O SER B 24 105.087 -15.531 31.719 1.00 0.00 O ATOM 1220 CB SER B 24 104.815 -14.248 34.689 1.00 0.00 C ATOM 1221 OG SER B 24 106.206 -14.123 34.429 1.00 0.00 O ATOM 0 H SER B 24 102.312 -14.037 34.620 1.00 0.00 H new ATOM 0 HA SER B 24 104.424 -13.312 32.792 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.489 -13.464 35.372 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.609 -15.201 35.176 1.00 0.00 H new ATOM 0 HG SER B 24 106.703 -14.183 35.272 1.00 0.00 H new ATOM 1227 N ASP B 25 103.458 -16.456 32.868 1.00 0.00 N ATOM 1228 CA ASP B 25 103.620 -17.750 32.141 1.00 0.00 C ATOM 1229 C ASP B 25 103.421 -17.542 30.634 1.00 0.00 C ATOM 1230 O ASP B 25 104.134 -18.111 29.831 1.00 0.00 O ATOM 1231 CB ASP B 25 102.577 -18.744 32.649 1.00 0.00 C ATOM 1232 CG ASP B 25 102.829 -19.036 34.135 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.965 -18.902 34.565 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.882 -19.392 34.817 1.00 0.00 O ATOM 0 H ASP B 25 102.722 -16.443 33.574 1.00 0.00 H new ATOM 0 HA ASP B 25 104.625 -18.134 32.319 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.575 -18.338 32.512 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.628 -19.667 32.072 1.00 0.00 H new ATOM 1239 N PHE B 26 102.465 -16.733 30.244 1.00 0.00 N ATOM 1240 CA PHE B 26 102.217 -16.485 28.781 1.00 0.00 C ATOM 1241 C PHE B 26 102.600 -15.050 28.412 1.00 0.00 C ATOM 1242 O PHE B 26 102.440 -14.627 27.283 1.00 0.00 O ATOM 1243 CB PHE B 26 100.739 -16.723 28.478 1.00 0.00 C ATOM 1244 CG PHE B 26 100.425 -18.177 28.721 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.580 -19.108 27.688 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.991 -18.595 29.982 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.296 -20.459 27.918 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.708 -19.947 30.212 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.860 -20.877 29.179 1.00 0.00 C ATOM 0 H PHE B 26 101.842 -16.230 30.876 1.00 0.00 H new ATOM 0 HA PHE B 26 102.829 -17.168 28.191 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.117 -16.091 29.111 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.517 -16.456 27.445 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.918 -18.785 26.715 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.874 -17.875 30.779 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.414 -21.179 27.121 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.373 -20.271 31.186 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.640 -21.920 29.355 1.00 0.00 H new ATOM 1259 N ASN B 27 103.104 -14.303 29.351 1.00 0.00 N ATOM 1260 CA ASN B 27 103.504 -12.897 29.058 1.00 0.00 C ATOM 1261 C ASN B 27 102.312 -12.124 28.484 1.00 0.00 C ATOM 1262 O ASN B 27 102.429 -11.455 27.477 1.00 0.00 O ATOM 1263 CB ASN B 27 104.653 -12.882 28.044 1.00 0.00 C ATOM 1264 CG ASN B 27 105.762 -13.837 28.501 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.156 -13.834 29.653 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.286 -14.660 27.638 1.00 0.00 N ATOM 0 H ASN B 27 103.258 -14.605 30.313 1.00 0.00 H new ATOM 0 HA ASN B 27 103.831 -12.424 29.984 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.287 -13.179 27.061 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.049 -11.871 27.944 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.025 -15.300 27.928 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.957 -14.664 26.672 1.00 0.00 H new ATOM 1273 N LEU B 28 101.166 -12.205 29.119 1.00 0.00 N ATOM 1274 CA LEU B 28 99.956 -11.473 28.617 1.00 0.00 C ATOM 1275 C LEU B 28 99.562 -10.414 29.653 1.00 0.00 C ATOM 1276 O LEU B 28 99.823 -10.579 30.823 1.00 0.00 O ATOM 1277 CB LEU B 28 98.808 -12.479 28.455 1.00 0.00 C ATOM 1278 CG LEU B 28 99.171 -13.512 27.378 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.162 -14.662 27.412 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.162 -12.859 25.979 1.00 0.00 C ATOM 0 H LEU B 28 101.015 -12.750 29.968 1.00 0.00 H new ATOM 0 HA LEU B 28 100.166 -10.995 27.660 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.615 -12.981 29.403 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.892 -11.958 28.178 1.00 0.00 H new ATOM 0 HG LEU B 28 100.172 -13.894 27.581 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.420 -15.395 26.648 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.185 -15.137 28.393 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.162 -14.274 27.220 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.421 -13.605 25.228 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.169 -12.462 25.769 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.890 -12.048 25.951 1.00 0.00 H new ATOM 1292 N PRO B 29 98.938 -9.334 29.244 1.00 0.00 N ATOM 1293 CA PRO B 29 98.524 -8.260 30.196 1.00 0.00 C ATOM 1294 C PRO B 29 97.527 -8.781 31.242 1.00 0.00 C ATOM 1295 O PRO B 29 96.767 -9.686 30.973 1.00 0.00 O ATOM 1296 CB PRO B 29 97.866 -7.189 29.297 1.00 0.00 C ATOM 1297 CG PRO B 29 97.505 -7.907 28.035 1.00 0.00 C ATOM 1298 CD PRO B 29 98.559 -9.000 27.860 1.00 0.00 C ATOM 0 HA PRO B 29 99.369 -7.873 30.766 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.984 -6.762 29.774 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.552 -6.365 29.099 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.505 -8.336 28.102 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.504 -7.226 27.184 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.157 -9.866 27.334 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.414 -8.645 27.284 1.00 0.00 H new ATOM 1306 N PRO B 30 97.522 -8.209 32.427 1.00 0.00 N ATOM 1307 CA PRO B 30 96.586 -8.633 33.503 1.00 0.00 C ATOM 1308 C PRO B 30 95.170 -8.874 32.966 1.00 0.00 C ATOM 1309 O PRO B 30 94.478 -9.780 33.372 1.00 0.00 O ATOM 1310 CB PRO B 30 96.586 -7.447 34.485 1.00 0.00 C ATOM 1311 CG PRO B 30 97.883 -6.723 34.260 1.00 0.00 C ATOM 1312 CD PRO B 30 98.403 -7.113 32.867 1.00 0.00 C ATOM 0 HA PRO B 30 96.894 -9.574 33.959 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.736 -6.790 34.303 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.506 -7.794 35.515 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.735 -5.645 34.325 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.609 -6.992 35.028 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.358 -6.269 32.178 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.443 -7.435 32.910 1.00 0.00 H new ATOM 1320 N VAL B 31 94.734 -8.046 32.066 1.00 0.00 N ATOM 1321 CA VAL B 31 93.352 -8.200 31.521 1.00 0.00 C ATOM 1322 C VAL B 31 93.122 -9.622 31.036 1.00 0.00 C ATOM 1323 O VAL B 31 92.145 -10.250 31.386 1.00 0.00 O ATOM 1324 CB VAL B 31 93.163 -7.227 30.352 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.810 -7.455 29.653 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.212 -5.792 30.886 1.00 0.00 C ATOM 0 H VAL B 31 95.270 -7.268 31.681 1.00 0.00 H new ATOM 0 HA VAL B 31 92.634 -7.982 32.312 1.00 0.00 H new ATOM 0 HB VAL B 31 93.960 -7.396 29.628 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.703 -6.751 28.828 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.766 -8.474 29.268 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.001 -7.302 30.367 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.078 -5.092 30.061 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.416 -5.648 31.616 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.177 -5.613 31.361 1.00 0.00 H new ATOM 1336 N VAL B 32 93.987 -10.136 30.227 1.00 0.00 N ATOM 1337 CA VAL B 32 93.758 -11.516 29.737 1.00 0.00 C ATOM 1338 C VAL B 32 93.878 -12.495 30.901 1.00 0.00 C ATOM 1339 O VAL B 32 93.054 -13.370 31.073 1.00 0.00 O ATOM 1340 CB VAL B 32 94.773 -11.858 28.654 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.521 -13.286 28.164 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.617 -10.881 27.485 1.00 0.00 C ATOM 0 H VAL B 32 94.830 -9.674 29.886 1.00 0.00 H new ATOM 0 HA VAL B 32 92.757 -11.588 29.311 1.00 0.00 H new ATOM 0 HB VAL B 32 95.783 -11.782 29.057 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.244 -13.537 27.388 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.626 -13.981 28.997 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.512 -13.358 27.757 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.342 -11.124 26.709 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.609 -10.959 27.077 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.788 -9.863 27.836 1.00 0.00 H new ATOM 1352 N ALA B 33 94.891 -12.345 31.701 1.00 0.00 N ATOM 1353 CA ALA B 33 95.062 -13.265 32.856 1.00 0.00 C ATOM 1354 C ALA B 33 93.924 -13.065 33.862 1.00 0.00 C ATOM 1355 O ALA B 33 93.338 -14.011 34.345 1.00 0.00 O ATOM 1356 CB ALA B 33 96.401 -12.985 33.531 1.00 0.00 C ATOM 0 H ALA B 33 95.608 -11.626 31.606 1.00 0.00 H new ATOM 0 HA ALA B 33 95.040 -14.295 32.500 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.529 -13.658 34.379 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.209 -13.143 32.816 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.423 -11.953 33.881 1.00 0.00 H new ATOM 1362 N LYS B 34 93.600 -11.843 34.193 1.00 0.00 N ATOM 1363 CA LYS B 34 92.501 -11.618 35.169 1.00 0.00 C ATOM 1364 C LYS B 34 91.176 -12.133 34.623 1.00 0.00 C ATOM 1365 O LYS B 34 90.351 -12.628 35.360 1.00 0.00 O ATOM 1366 CB LYS B 34 92.375 -10.129 35.492 1.00 0.00 C ATOM 1367 CG LYS B 34 93.585 -9.676 36.316 1.00 0.00 C ATOM 1368 CD LYS B 34 93.336 -8.263 36.851 1.00 0.00 C ATOM 1369 CE LYS B 34 92.996 -7.322 35.696 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.248 -5.916 36.113 1.00 0.00 N ATOM 0 H LYS B 34 94.046 -11.000 33.832 1.00 0.00 H new ATOM 0 HA LYS B 34 92.743 -12.167 36.079 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.313 -9.551 34.570 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.455 -9.944 36.046 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.754 -10.365 37.143 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.484 -9.690 35.700 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.519 -8.277 37.573 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.220 -7.903 37.377 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.600 -7.568 34.823 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.952 -7.446 35.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.017 -5.274 35.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.654 -5.686 36.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.250 -5.804 36.368 1.00 0.00 H new ATOM 1384 N GLU B 35 90.941 -12.008 33.350 1.00 0.00 N ATOM 1385 CA GLU B 35 89.645 -12.481 32.809 1.00 0.00 C ATOM 1386 C GLU B 35 89.496 -13.978 33.072 1.00 0.00 C ATOM 1387 O GLU B 35 88.420 -14.446 33.385 1.00 0.00 O ATOM 1388 CB GLU B 35 89.555 -12.200 31.306 1.00 0.00 C ATOM 1389 CG GLU B 35 88.094 -12.319 30.846 1.00 0.00 C ATOM 1390 CD GLU B 35 87.693 -13.791 30.737 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.578 -14.622 30.614 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.503 -14.066 30.786 1.00 0.00 O ATOM 0 H GLU B 35 91.583 -11.603 32.669 1.00 0.00 H new ATOM 0 HA GLU B 35 88.838 -11.944 33.308 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.935 -11.202 31.089 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.179 -12.905 30.756 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.440 -11.808 31.552 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.968 -11.828 29.881 1.00 0.00 H new ATOM 1399 N ILE B 36 90.558 -14.741 32.956 1.00 0.00 N ATOM 1400 CA ILE B 36 90.429 -16.197 33.223 1.00 0.00 C ATOM 1401 C ILE B 36 89.949 -16.378 34.664 1.00 0.00 C ATOM 1402 O ILE B 36 89.112 -17.208 34.948 1.00 0.00 O ATOM 1403 CB ILE B 36 91.784 -16.882 33.013 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.226 -16.670 31.557 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.660 -18.384 33.294 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.596 -17.319 31.328 1.00 0.00 C ATOM 0 H ILE B 36 91.490 -14.420 32.693 1.00 0.00 H new ATOM 0 HA ILE B 36 89.711 -16.650 32.540 1.00 0.00 H new ATOM 0 HB ILE B 36 92.519 -16.453 33.694 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.491 -17.102 30.878 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.277 -15.604 31.335 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.627 -18.864 33.143 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.337 -18.536 34.324 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.928 -18.822 32.616 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.903 -17.165 30.294 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.329 -16.866 31.996 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.531 -18.388 31.532 1.00 0.00 H new ATOM 1418 N VAL B 37 90.460 -15.590 35.572 1.00 0.00 N ATOM 1419 CA VAL B 37 90.023 -15.694 36.999 1.00 0.00 C ATOM 1420 C VAL B 37 88.536 -15.353 37.086 1.00 0.00 C ATOM 1421 O VAL B 37 87.791 -15.948 37.836 1.00 0.00 O ATOM 1422 CB VAL B 37 90.836 -14.708 37.851 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.333 -14.729 39.300 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.320 -15.104 37.819 1.00 0.00 C ATOM 0 H VAL B 37 91.164 -14.875 35.388 1.00 0.00 H new ATOM 0 HA VAL B 37 90.187 -16.706 37.369 1.00 0.00 H new ATOM 0 HB VAL B 37 90.716 -13.703 37.445 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.915 -14.027 39.897 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.282 -14.442 39.324 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.444 -15.733 39.709 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.896 -14.404 38.424 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.437 -16.111 38.220 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.681 -15.078 36.791 1.00 0.00 H new ATOM 1434 N ALA B 38 88.106 -14.394 36.314 1.00 0.00 N ATOM 1435 CA ALA B 38 86.671 -14.000 36.328 1.00 0.00 C ATOM 1436 C ALA B 38 85.815 -15.208 35.939 1.00 0.00 C ATOM 1437 O ALA B 38 84.702 -15.361 36.394 1.00 0.00 O ATOM 1438 CB ALA B 38 86.450 -12.869 35.323 1.00 0.00 C ATOM 0 H ALA B 38 88.692 -13.863 35.670 1.00 0.00 H new ATOM 0 HA ALA B 38 86.389 -13.660 37.324 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.400 -12.577 35.329 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.067 -12.013 35.597 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.726 -13.210 34.325 1.00 0.00 H new ATOM 1444 N SER B 39 86.326 -16.065 35.101 1.00 0.00 N ATOM 1445 CA SER B 39 85.542 -17.262 34.691 1.00 0.00 C ATOM 1446 C SER B 39 85.627 -18.325 35.793 1.00 0.00 C ATOM 1447 O SER B 39 84.734 -19.137 35.956 1.00 0.00 O ATOM 1448 CB SER B 39 86.107 -17.831 33.388 1.00 0.00 C ATOM 1449 OG SER B 39 86.036 -16.841 32.369 1.00 0.00 O ATOM 0 H SER B 39 87.253 -15.988 34.682 1.00 0.00 H new ATOM 0 HA SER B 39 84.502 -16.977 34.535 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.141 -18.145 33.534 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.544 -18.716 33.090 1.00 0.00 H new ATOM 0 HG SER B 39 86.399 -17.204 31.534 1.00 0.00 H new ATOM 1455 N CYS B 40 86.698 -18.329 36.549 1.00 0.00 N ATOM 1456 CA CYS B 40 86.834 -19.346 37.636 1.00 0.00 C ATOM 1457 C CYS B 40 86.059 -18.870 38.867 1.00 0.00 C ATOM 1458 O CYS B 40 86.507 -18.021 39.613 1.00 0.00 O ATOM 1459 CB CYS B 40 88.308 -19.536 38.007 1.00 0.00 C ATOM 1460 SG CYS B 40 88.426 -20.717 39.378 1.00 0.00 S ATOM 0 H CYS B 40 87.478 -17.677 36.461 1.00 0.00 H new ATOM 0 HA CYS B 40 86.434 -20.297 37.286 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.868 -19.901 37.146 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.750 -18.582 38.293 1.00 0.00 H new ATOM 1465 N ASP B 41 84.889 -19.403 39.074 1.00 0.00 N ATOM 1466 CA ASP B 41 84.062 -18.986 40.244 1.00 0.00 C ATOM 1467 C ASP B 41 84.812 -19.257 41.555 1.00 0.00 C ATOM 1468 O ASP B 41 84.639 -18.556 42.534 1.00 0.00 O ATOM 1469 CB ASP B 41 82.754 -19.779 40.247 1.00 0.00 C ATOM 1470 CG ASP B 41 81.889 -19.356 39.054 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.112 -18.271 38.549 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.021 -20.125 38.665 1.00 0.00 O ATOM 0 H ASP B 41 84.465 -20.115 38.480 1.00 0.00 H new ATOM 0 HA ASP B 41 83.856 -17.919 40.165 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.965 -20.847 40.195 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.215 -19.606 41.179 1.00 0.00 H new ATOM 1477 N LYS B 42 85.630 -20.274 41.599 1.00 0.00 N ATOM 1478 CA LYS B 42 86.357 -20.577 42.867 1.00 0.00 C ATOM 1479 C LYS B 42 87.390 -19.493 43.175 1.00 0.00 C ATOM 1480 O LYS B 42 87.545 -19.081 44.310 1.00 0.00 O ATOM 1481 CB LYS B 42 87.074 -21.919 42.734 1.00 0.00 C ATOM 1482 CG LYS B 42 86.044 -23.028 42.555 1.00 0.00 C ATOM 1483 CD LYS B 42 86.752 -24.381 42.559 1.00 0.00 C ATOM 1484 CE LYS B 42 85.721 -25.482 42.329 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.742 -25.474 43.450 1.00 0.00 N ATOM 0 H LYS B 42 85.826 -20.903 40.820 1.00 0.00 H new ATOM 0 HA LYS B 42 85.630 -20.614 43.679 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.754 -21.898 41.882 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.680 -22.110 43.620 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.307 -22.988 43.357 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.504 -22.890 41.618 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.514 -24.410 41.780 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.263 -24.536 43.509 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.208 -25.324 41.380 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.214 -26.452 42.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.282 -26.404 43.515 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.237 -25.269 44.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.023 -24.743 43.277 1.00 0.00 H new ATOM 1499 N CYS B 43 88.099 -19.019 42.186 1.00 0.00 N ATOM 1500 CA CYS B 43 89.117 -17.960 42.447 1.00 0.00 C ATOM 1501 C CYS B 43 88.453 -16.589 42.388 1.00 0.00 C ATOM 1502 O CYS B 43 88.976 -15.615 42.890 1.00 0.00 O ATOM 1503 CB CYS B 43 90.215 -18.029 41.390 1.00 0.00 C ATOM 1504 SG CYS B 43 91.182 -19.538 41.629 1.00 0.00 S ATOM 0 H CYS B 43 88.018 -19.317 41.214 1.00 0.00 H new ATOM 0 HA CYS B 43 89.551 -18.117 43.435 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.776 -18.019 40.392 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.861 -17.154 41.463 1.00 0.00 H new ATOM 1509 N GLN B 44 87.308 -16.498 41.768 1.00 0.00 N ATOM 1510 CA GLN B 44 86.624 -15.179 41.673 1.00 0.00 C ATOM 1511 C GLN B 44 86.003 -14.826 43.023 1.00 0.00 C ATOM 1512 O GLN B 44 86.449 -13.926 43.700 1.00 0.00 O ATOM 1513 CB GLN B 44 85.531 -15.247 40.607 1.00 0.00 C ATOM 1514 CG GLN B 44 84.925 -13.855 40.415 1.00 0.00 C ATOM 1515 CD GLN B 44 83.833 -13.935 39.353 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.018 -13.044 39.225 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.787 -14.979 38.574 1.00 0.00 N ATOM 0 H GLN B 44 86.819 -17.276 41.325 1.00 0.00 H new ATOM 0 HA GLN B 44 87.349 -14.413 41.399 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.946 -15.608 39.666 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.758 -15.955 40.907 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.511 -13.491 41.355 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.696 -13.147 40.111 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.472 -15.727 38.682 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.066 -15.048 37.856 1.00 0.00 H new ATOM 1526 N LEU B 45 84.986 -15.529 43.430 1.00 0.00 N ATOM 1527 CA LEU B 45 84.367 -15.219 44.751 1.00 0.00 C ATOM 1528 C LEU B 45 85.181 -15.918 45.842 1.00 0.00 C ATOM 1529 O LEU B 45 84.874 -17.020 46.243 1.00 0.00 O ATOM 1530 CB LEU B 45 82.931 -15.743 44.797 1.00 0.00 C ATOM 1531 CG LEU B 45 82.148 -15.277 43.561 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.801 -16.000 43.506 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.907 -13.763 43.634 1.00 0.00 C ATOM 0 H LEU B 45 84.558 -16.297 42.913 1.00 0.00 H new ATOM 0 HA LEU B 45 84.358 -14.140 44.904 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.936 -16.832 44.842 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.437 -15.389 45.702 1.00 0.00 H new ATOM 0 HG LEU B 45 82.726 -15.508 42.666 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.246 -15.669 42.628 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.968 -17.075 43.445 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.229 -15.772 44.405 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.351 -13.440 42.754 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.334 -13.529 44.531 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.865 -13.243 43.669 1.00 0.00 H new ATOM 1545 N LYS B 46 86.218 -15.290 46.317 1.00 0.00 N ATOM 1546 CA LYS B 46 87.065 -15.916 47.386 1.00 0.00 C ATOM 1547 C LYS B 46 86.606 -15.421 48.760 1.00 0.00 C ATOM 1548 O LYS B 46 86.935 -15.984 49.783 1.00 0.00 O ATOM 1549 CB LYS B 46 88.533 -15.517 47.172 1.00 0.00 C ATOM 1550 CG LYS B 46 89.462 -16.425 47.997 1.00 0.00 C ATOM 1551 CD LYS B 46 89.707 -17.754 47.273 1.00 0.00 C ATOM 1552 CE LYS B 46 90.829 -18.514 47.980 1.00 0.00 C ATOM 1553 NZ LYS B 46 92.087 -17.720 47.904 1.00 0.00 N ATOM 0 H LYS B 46 86.523 -14.365 46.014 1.00 0.00 H new ATOM 0 HA LYS B 46 86.966 -17.000 47.336 1.00 0.00 H new ATOM 0 HB2 LYS B 46 88.786 -15.592 46.114 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.680 -14.477 47.462 1.00 0.00 H new ATOM 0 HG2 LYS B 46 90.412 -15.920 48.170 1.00 0.00 H new ATOM 0 HG3 LYS B 46 89.019 -16.614 48.975 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.795 -18.351 47.266 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.976 -17.571 46.233 1.00 0.00 H new ATOM 0 HE2 LYS B 46 90.562 -18.694 49.021 1.00 0.00 H new ATOM 0 HE3 LYS B 46 90.972 -19.489 47.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 92.905 -18.362 47.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 92.102 -17.177 47.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 92.134 -17.066 48.711 1.00 0.00 H new ATOM 1567 N GLY B 47 85.854 -14.362 48.788 1.00 0.00 N ATOM 1568 CA GLY B 47 85.381 -13.815 50.089 1.00 0.00 C ATOM 1569 C GLY B 47 84.756 -12.445 49.855 1.00 0.00 C ATOM 1570 O GLY B 47 84.083 -11.899 50.709 1.00 0.00 O ATOM 0 H GLY B 47 85.544 -13.848 47.964 1.00 0.00 H new ATOM 0 HA2 GLY B 47 84.652 -14.489 50.538 1.00 0.00 H new ATOM 0 HA3 GLY B 47 86.213 -13.734 50.788 1.00 0.00 H new ATOM 1574 N GLU B 48 84.967 -11.887 48.697 1.00 0.00 N ATOM 1575 CA GLU B 48 84.382 -10.556 48.392 1.00 0.00 C ATOM 1576 C GLU B 48 82.875 -10.733 48.183 1.00 0.00 C ATOM 1577 O GLU B 48 82.134 -9.785 48.010 1.00 0.00 O ATOM 1578 CB GLU B 48 85.035 -9.999 47.122 1.00 0.00 C ATOM 1579 CG GLU B 48 84.692 -8.514 46.968 1.00 0.00 C ATOM 1580 CD GLU B 48 85.377 -7.961 45.720 1.00 0.00 C ATOM 1581 OE1 GLU B 48 86.058 -8.725 45.056 1.00 0.00 O ATOM 1582 OE2 GLU B 48 85.226 -6.778 45.460 1.00 0.00 O ATOM 0 H GLU B 48 85.522 -12.298 47.946 1.00 0.00 H new ATOM 0 HA GLU B 48 84.559 -9.858 49.210 1.00 0.00 H new ATOM 0 HB2 GLU B 48 86.116 -10.128 47.172 1.00 0.00 H new ATOM 0 HB3 GLU B 48 84.687 -10.554 46.251 1.00 0.00 H new ATOM 0 HG2 GLU B 48 83.612 -8.385 46.891 1.00 0.00 H new ATOM 0 HG3 GLU B 48 85.017 -7.961 47.850 1.00 0.00 H new ATOM 1589 N ALA B 49 82.421 -11.953 48.214 1.00 0.00 N ATOM 1590 CA ALA B 49 80.968 -12.227 48.027 1.00 0.00 C ATOM 1591 C ALA B 49 80.161 -11.476 49.092 1.00 0.00 C ATOM 1592 O ALA B 49 80.665 -11.112 50.134 1.00 0.00 O ATOM 1593 CB ALA B 49 80.722 -13.739 48.146 1.00 0.00 C ATOM 0 H ALA B 49 82.999 -12.781 48.362 1.00 0.00 H new ATOM 0 HA ALA B 49 80.651 -11.886 47.041 1.00 0.00 H new ATOM 0 HB1 ALA B 49 79.661 -13.947 48.010 1.00 0.00 H new ATOM 0 HB2 ALA B 49 81.295 -14.262 47.380 1.00 0.00 H new ATOM 0 HB3 ALA B 49 81.036 -14.082 49.132 1.00 0.00 H new ATOM 1599 N MET B 50 78.907 -11.246 48.820 1.00 0.00 N ATOM 1600 CA MET B 50 78.043 -10.515 49.785 1.00 0.00 C ATOM 1601 C MET B 50 78.040 -11.231 51.139 1.00 0.00 C ATOM 1602 O MET B 50 77.903 -10.607 52.173 1.00 0.00 O ATOM 1603 CB MET B 50 76.620 -10.463 49.225 1.00 0.00 C ATOM 1604 CG MET B 50 75.759 -9.548 50.093 1.00 0.00 C ATOM 1605 SD MET B 50 74.203 -9.186 49.245 1.00 0.00 S ATOM 1606 CE MET B 50 73.690 -7.817 50.311 1.00 0.00 C ATOM 0 H MET B 50 78.440 -11.537 47.961 1.00 0.00 H new ATOM 0 HA MET B 50 78.426 -9.505 49.928 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.636 -10.097 48.198 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.192 -11.465 49.200 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.559 -10.025 51.053 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.294 -8.622 50.303 1.00 0.00 H new ATOM 0 HE1 MET B 50 72.732 -7.428 49.968 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.591 -8.172 51.337 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.438 -7.025 50.272 1.00 0.00 H new ATOM 1616 N HIS B 51 78.182 -12.532 51.143 1.00 0.00 N ATOM 1617 CA HIS B 51 78.183 -13.283 52.434 1.00 0.00 C ATOM 1618 C HIS B 51 77.017 -12.802 53.308 1.00 0.00 C ATOM 1619 O HIS B 51 76.076 -12.202 52.826 1.00 0.00 O ATOM 1620 CB HIS B 51 79.505 -13.035 53.167 1.00 0.00 C ATOM 1621 CG HIS B 51 79.690 -14.070 54.243 1.00 0.00 C ATOM 1622 ND1 HIS B 51 79.475 -15.423 54.013 1.00 0.00 N ATOM 1623 CD2 HIS B 51 80.081 -13.971 55.558 1.00 0.00 C ATOM 1624 CE1 HIS B 51 79.730 -16.077 55.159 1.00 0.00 C ATOM 1625 NE2 HIS B 51 80.104 -15.235 56.130 1.00 0.00 N ATOM 0 H HIS B 51 78.297 -13.106 50.308 1.00 0.00 H new ATOM 0 HA HIS B 51 78.071 -14.349 52.234 1.00 0.00 H new ATOM 0 HB2 HIS B 51 80.336 -13.076 52.463 1.00 0.00 H new ATOM 0 HB3 HIS B 51 79.508 -12.037 53.605 1.00 0.00 H new ATOM 0 HD2 HIS B 51 80.331 -13.052 56.067 1.00 0.00 H new ATOM 0 HE1 HIS B 51 79.644 -17.147 55.281 1.00 0.00 H new ATOM 0 HE2 HIS B 51 80.354 -15.473 57.090 1.00 0.00 H new ATOM 1633 N GLY B 52 77.066 -13.055 54.588 1.00 0.00 N ATOM 1634 CA GLY B 52 75.959 -12.607 55.474 1.00 0.00 C ATOM 1635 C GLY B 52 76.244 -13.031 56.918 1.00 0.00 C ATOM 1636 O GLY B 52 77.144 -13.808 57.190 1.00 0.00 O ATOM 0 H GLY B 52 77.824 -13.552 55.056 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.852 -11.524 55.418 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.016 -13.038 55.139 1.00 0.00 H new ATOM 1640 N GLN B 53 75.481 -12.522 57.846 1.00 0.00 N ATOM 1641 CA GLN B 53 75.687 -12.875 59.277 1.00 0.00 C ATOM 1642 C GLN B 53 74.345 -12.771 60.000 1.00 0.00 C ATOM 1643 O GLN B 53 73.920 -11.701 60.384 1.00 0.00 O ATOM 1644 CB GLN B 53 76.703 -11.896 59.885 1.00 0.00 C ATOM 1645 CG GLN B 53 77.035 -12.293 61.325 1.00 0.00 C ATOM 1646 CD GLN B 53 78.104 -11.346 61.882 1.00 0.00 C ATOM 1647 OE1 GLN B 53 78.657 -10.540 61.159 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.425 -11.410 63.146 1.00 0.00 N ATOM 0 H GLN B 53 74.716 -11.870 57.671 1.00 0.00 H new ATOM 0 HA GLN B 53 76.070 -13.891 59.377 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.613 -11.888 59.285 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.299 -10.884 59.865 1.00 0.00 H new ATOM 0 HG2 GLN B 53 76.137 -12.249 61.942 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.393 -13.322 61.357 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.963 -12.085 63.756 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.137 -10.785 63.524 1.00 0.00 H new ATOM 1657 N VAL B 54 73.664 -13.876 60.180 1.00 0.00 N ATOM 1658 CA VAL B 54 72.340 -13.838 60.874 1.00 0.00 C ATOM 1659 C VAL B 54 71.486 -12.723 60.256 1.00 0.00 C ATOM 1660 O VAL B 54 71.607 -12.417 59.085 1.00 0.00 O ATOM 1661 CB VAL B 54 72.541 -13.586 62.381 1.00 0.00 C ATOM 1662 CG1 VAL B 54 71.344 -14.141 63.170 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.819 -14.290 62.866 1.00 0.00 C ATOM 0 H VAL B 54 73.967 -14.801 59.877 1.00 0.00 H new ATOM 0 HA VAL B 54 71.832 -14.795 60.751 1.00 0.00 H new ATOM 0 HB VAL B 54 72.626 -12.512 62.544 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.494 -13.959 64.234 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.431 -13.645 62.842 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.258 -15.213 62.994 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.953 -14.107 63.932 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.733 -15.362 62.690 1.00 0.00 H new ATOM 0 HG23 VAL B 54 74.678 -13.901 62.320 1.00 0.00 H new ATOM 1673 N ASP B 55 70.629 -12.107 61.031 1.00 0.00 N ATOM 1674 CA ASP B 55 69.773 -11.015 60.491 1.00 0.00 C ATOM 1675 C ASP B 55 70.529 -9.690 60.600 1.00 0.00 C ATOM 1676 O ASP B 55 70.757 -9.077 59.573 1.00 0.00 O ATOM 1677 CB ASP B 55 68.481 -10.931 61.304 1.00 0.00 C ATOM 1678 CG ASP B 55 67.645 -12.188 61.075 1.00 0.00 C ATOM 1679 OD1 ASP B 55 67.934 -12.905 60.131 1.00 0.00 O ATOM 1680 OD2 ASP B 55 66.726 -12.411 61.844 1.00 0.00 O ATOM 1681 OXT ASP B 55 70.871 -9.315 61.710 1.00 0.00 O ATOM 0 H ASP B 55 70.487 -12.317 62.019 1.00 0.00 H new ATOM 0 HA ASP B 55 69.531 -11.218 59.448 1.00 0.00 H new ATOM 0 HB2 ASP B 55 68.713 -10.825 62.364 1.00 0.00 H new ATOM 0 HB3 ASP B 55 67.913 -10.047 61.012 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.922 -1.899 35.697 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.648 -20.973 39.920 1.00 0.00 ZN