USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 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 HD1 : A 12 HIS ND1 : 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 HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 165:sc= 0.944 (180deg=0.423) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0101 (180deg=-0.223) USER MOD Single : A 9 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -41:sc= 1.03 USER MOD Single : A 18 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.0029) USER MOD Single : A 22 MET CE :methyl -157:sc= -0.195 (180deg=-1.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.253 K(o=-0.25,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0.263 (180deg=0) USER MOD Single : A 39 SER OG : rot 46:sc= -0.295 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.199 (180deg=-1.04) USER MOD Single : A 44 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.66) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.132) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-1.5) USER MOD Single : A 53 GLN : amide:sc= -1.28! K(o=-1.3!,f=0) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.907 (180deg=0.428) USER MOD Single : B 7 LYS NZ :NH3+ -166:sc=-0.00552 (180deg=-0.199) USER MOD Single : B 9 GLN : amide:sc=-0.00365 K(o=-0.0037,f=-1.8!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -53:sc= 1.05 USER MOD Single : B 18 ASN : amide:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : B 22 MET CE :methyl -154:sc= -0.205 (180deg=-1.41) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.414 K(o=-0.41,f=-3.1!) USER MOD Single : B 34 LYS NZ :NH3+ -126:sc= 0.114 (180deg=0) USER MOD Single : B 39 SER OG : rot 33:sc= -0.388 USER MOD Single : B 42 LYS NZ :NH3+ -154:sc= -0.121 (180deg=-0.727) USER MOD Single : B 44 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.52) USER MOD Single : B 46 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.122) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : B 53 GLN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.412 -3.539 23.942 1.00 0.00 N ATOM 2 CA PHE A 1 94.002 -4.095 25.262 1.00 0.00 C ATOM 3 C PHE A 1 93.706 -2.956 26.241 1.00 0.00 C ATOM 4 O PHE A 1 92.571 -2.587 26.461 1.00 0.00 O ATOM 5 CB PHE A 1 95.134 -4.949 25.842 1.00 0.00 C ATOM 6 CG PHE A 1 95.308 -6.214 25.029 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.957 -6.168 23.788 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.830 -7.436 25.523 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.128 -7.345 23.043 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.999 -8.608 24.779 1.00 0.00 C ATOM 11 CZ PHE A 1 95.649 -8.563 23.539 1.00 0.00 C ATOM 0 H1 PHE A 1 94.850 -4.289 23.370 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.576 -3.169 23.446 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.097 -2.770 24.087 1.00 0.00 H new ATOM 0 HA PHE A 1 93.109 -4.704 25.118 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.063 -4.380 25.844 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.913 -5.203 26.879 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.325 -5.228 23.405 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.330 -7.472 26.480 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.629 -7.311 22.087 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.628 -9.548 25.161 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.781 -9.469 22.965 1.00 0.00 H new ATOM 23 N LEU A 2 94.724 -2.418 26.854 1.00 0.00 N ATOM 24 CA LEU A 2 94.514 -1.324 27.844 1.00 0.00 C ATOM 25 C LEU A 2 93.841 -0.123 27.188 1.00 0.00 C ATOM 26 O LEU A 2 92.964 0.493 27.759 1.00 0.00 O ATOM 27 CB LEU A 2 95.872 -0.896 28.410 1.00 0.00 C ATOM 28 CG LEU A 2 96.531 -2.076 29.137 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.938 -1.672 29.593 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.687 -2.482 30.361 1.00 0.00 C ATOM 0 H LEU A 2 95.697 -2.690 26.711 1.00 0.00 H new ATOM 0 HA LEU A 2 93.869 -1.690 28.642 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.518 -0.548 27.604 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.742 -0.061 29.098 1.00 0.00 H new ATOM 0 HG LEU A 2 96.596 -2.924 28.455 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.407 -2.509 30.110 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.538 -1.399 28.725 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.871 -0.820 30.269 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.163 -3.320 30.870 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.610 -1.638 31.046 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.690 -2.776 30.034 1.00 0.00 H new ATOM 42 N ASP A 3 94.244 0.228 26.003 1.00 0.00 N ATOM 43 CA ASP A 3 93.622 1.405 25.336 1.00 0.00 C ATOM 44 C ASP A 3 92.148 1.123 25.047 1.00 0.00 C ATOM 45 O ASP A 3 91.287 1.945 25.293 1.00 0.00 O ATOM 46 CB ASP A 3 94.343 1.678 24.020 1.00 0.00 C ATOM 47 CG ASP A 3 95.757 2.191 24.306 1.00 0.00 C ATOM 48 OD1 ASP A 3 95.931 2.868 25.306 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.644 1.894 23.521 1.00 0.00 O ATOM 0 H ASP A 3 94.973 -0.244 25.468 1.00 0.00 H new ATOM 0 HA ASP A 3 93.703 2.271 25.993 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.390 0.767 23.423 1.00 0.00 H new ATOM 0 HB3 ASP A 3 93.790 2.413 23.436 1.00 0.00 H new ATOM 54 N GLY A 4 91.845 -0.036 24.533 1.00 0.00 N ATOM 55 CA GLY A 4 90.423 -0.365 24.236 1.00 0.00 C ATOM 56 C GLY A 4 89.623 -0.307 25.533 1.00 0.00 C ATOM 57 O GLY A 4 88.504 0.167 25.572 1.00 0.00 O ATOM 0 H GLY A 4 92.518 -0.768 24.306 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.016 0.339 23.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.350 -1.358 23.792 1.00 0.00 H new ATOM 61 N ILE A 5 90.197 -0.787 26.597 1.00 0.00 N ATOM 62 CA ILE A 5 89.494 -0.770 27.908 1.00 0.00 C ATOM 63 C ILE A 5 89.327 0.669 28.398 1.00 0.00 C ATOM 64 O ILE A 5 88.313 1.025 28.964 1.00 0.00 O ATOM 65 CB ILE A 5 90.309 -1.572 28.932 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.231 -3.064 28.589 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.752 -1.335 30.340 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.310 -3.831 29.354 1.00 0.00 C ATOM 0 H ILE A 5 91.132 -1.194 26.616 1.00 0.00 H new ATOM 0 HA ILE A 5 88.508 -1.219 27.791 1.00 0.00 H new ATOM 0 HB ILE A 5 91.349 -1.246 28.901 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.246 -3.454 28.844 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.362 -3.207 27.516 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.334 -1.907 31.063 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.814 -0.274 30.582 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.711 -1.656 30.378 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.249 -4.891 29.105 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.293 -3.450 29.077 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.159 -3.700 30.426 1.00 0.00 H new ATOM 80 N ASP A 6 90.321 1.487 28.217 1.00 0.00 N ATOM 81 CA ASP A 6 90.215 2.888 28.711 1.00 0.00 C ATOM 82 C ASP A 6 89.036 3.593 28.039 1.00 0.00 C ATOM 83 O ASP A 6 88.251 4.258 28.690 1.00 0.00 O ATOM 84 CB ASP A 6 91.507 3.639 28.385 1.00 0.00 C ATOM 85 CG ASP A 6 92.654 3.077 29.226 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.437 2.832 30.402 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.729 2.896 28.679 1.00 0.00 O ATOM 0 H ASP A 6 91.198 1.251 27.752 1.00 0.00 H new ATOM 0 HA ASP A 6 90.056 2.876 29.789 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.739 3.541 27.324 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.382 4.703 28.587 1.00 0.00 H new ATOM 92 N LYS A 7 88.893 3.455 26.753 1.00 0.00 N ATOM 93 CA LYS A 7 87.754 4.123 26.064 1.00 0.00 C ATOM 94 C LYS A 7 86.446 3.436 26.477 1.00 0.00 C ATOM 95 O LYS A 7 85.437 4.077 26.696 1.00 0.00 O ATOM 96 CB LYS A 7 87.931 4.004 24.548 1.00 0.00 C ATOM 97 CG LYS A 7 89.107 4.868 24.080 1.00 0.00 C ATOM 98 CD LYS A 7 89.250 4.723 22.560 1.00 0.00 C ATOM 99 CE LYS A 7 90.452 5.530 22.064 1.00 0.00 C ATOM 100 NZ LYS A 7 90.196 6.985 22.257 1.00 0.00 N ATOM 0 H LYS A 7 89.511 2.912 26.150 1.00 0.00 H new ATOM 0 HA LYS A 7 87.724 5.176 26.343 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.105 2.963 24.276 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.017 4.317 24.043 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.938 5.912 24.346 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.026 4.557 24.577 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.375 3.672 22.297 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.342 5.069 22.067 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.350 5.234 22.607 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.633 5.320 21.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.881 7.535 21.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.232 7.213 21.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.296 7.225 23.264 1.00 0.00 H new ATOM 114 N ALA A 8 86.463 2.134 26.574 1.00 0.00 N ATOM 115 CA ALA A 8 85.233 1.382 26.964 1.00 0.00 C ATOM 116 C ALA A 8 84.892 1.626 28.438 1.00 0.00 C ATOM 117 O ALA A 8 83.736 1.687 28.813 1.00 0.00 O ATOM 118 CB ALA A 8 85.457 -0.114 26.746 1.00 0.00 C ATOM 0 H ALA A 8 87.283 1.553 26.398 1.00 0.00 H new ATOM 0 HA ALA A 8 84.406 1.732 26.346 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.559 -0.662 27.031 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.677 -0.300 25.695 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.295 -0.449 27.357 1.00 0.00 H new ATOM 124 N GLN A 9 85.882 1.728 29.284 1.00 0.00 N ATOM 125 CA GLN A 9 85.599 1.920 30.735 1.00 0.00 C ATOM 126 C GLN A 9 84.810 3.209 30.947 1.00 0.00 C ATOM 127 O GLN A 9 85.226 4.280 30.549 1.00 0.00 O ATOM 128 CB GLN A 9 86.919 2.010 31.504 1.00 0.00 C ATOM 129 CG GLN A 9 86.621 2.060 32.999 1.00 0.00 C ATOM 130 CD GLN A 9 87.921 1.940 33.792 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.963 1.648 33.241 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.897 2.149 35.078 1.00 0.00 N ATOM 0 H GLN A 9 86.870 1.687 29.034 1.00 0.00 H new ATOM 0 HA GLN A 9 85.015 1.074 31.097 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.548 1.150 31.274 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.472 2.899 31.200 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.118 2.995 33.247 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.943 1.251 33.271 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.021 2.394 35.539 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.755 2.067 35.624 1.00 0.00 H new ATOM 141 N GLU A 10 83.671 3.113 31.581 1.00 0.00 N ATOM 142 CA GLU A 10 82.840 4.327 31.829 1.00 0.00 C ATOM 143 C GLU A 10 82.050 4.148 33.129 1.00 0.00 C ATOM 144 O GLU A 10 82.354 3.296 33.943 1.00 0.00 O ATOM 145 CB GLU A 10 81.873 4.541 30.658 1.00 0.00 C ATOM 146 CG GLU A 10 82.657 5.023 29.433 1.00 0.00 C ATOM 147 CD GLU A 10 81.683 5.385 28.307 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.017 4.490 27.816 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.619 6.554 27.963 1.00 0.00 O ATOM 0 H GLU A 10 83.279 2.242 31.939 1.00 0.00 H new ATOM 0 HA GLU A 10 83.489 5.198 31.918 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.352 3.612 30.428 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.113 5.274 30.929 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.263 5.890 29.695 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.342 4.244 29.098 1.00 0.00 H new ATOM 156 N GLU A 11 81.045 4.955 33.334 1.00 0.00 N ATOM 157 CA GLU A 11 80.238 4.847 34.578 1.00 0.00 C ATOM 158 C GLU A 11 79.395 3.566 34.527 1.00 0.00 C ATOM 159 O GLU A 11 79.063 3.072 33.469 1.00 0.00 O ATOM 160 CB GLU A 11 79.323 6.071 34.692 1.00 0.00 C ATOM 161 CG GLU A 11 80.174 7.313 34.979 1.00 0.00 C ATOM 162 CD GLU A 11 79.289 8.563 34.974 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.053 9.092 33.901 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.874 8.977 36.044 1.00 0.00 O ATOM 0 H GLU A 11 80.748 5.687 32.689 1.00 0.00 H new ATOM 0 HA GLU A 11 80.896 4.807 35.446 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.761 6.207 33.768 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.595 5.922 35.489 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.668 7.211 35.945 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.958 7.409 34.228 1.00 0.00 H new ATOM 171 N HIS A 12 79.060 3.017 35.667 1.00 0.00 N ATOM 172 CA HIS A 12 78.255 1.761 35.686 1.00 0.00 C ATOM 173 C HIS A 12 76.870 2.016 35.090 1.00 0.00 C ATOM 174 O HIS A 12 75.884 2.098 35.796 1.00 0.00 O ATOM 175 CB HIS A 12 78.112 1.285 37.132 1.00 0.00 C ATOM 176 CG HIS A 12 77.143 0.132 37.202 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.519 -1.180 36.929 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.814 0.076 37.539 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.434 -1.962 37.114 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.372 -1.243 37.485 1.00 0.00 N ATOM 0 H HIS A 12 79.310 3.385 36.585 1.00 0.00 H new ATOM 0 HA HIS A 12 78.758 0.998 35.092 1.00 0.00 H new ATOM 0 HB2 HIS A 12 79.083 0.979 37.520 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.762 2.104 37.760 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.204 0.926 37.806 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.426 -3.033 36.979 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.433 -1.588 37.687 1.00 0.00 H new ATOM 188 N GLU A 13 76.792 2.126 33.794 1.00 0.00 N ATOM 189 CA GLU A 13 75.476 2.362 33.130 1.00 0.00 C ATOM 190 C GLU A 13 74.850 1.023 32.734 1.00 0.00 C ATOM 191 O GLU A 13 75.317 -0.035 33.106 1.00 0.00 O ATOM 192 CB GLU A 13 75.689 3.196 31.869 1.00 0.00 C ATOM 193 CG GLU A 13 76.302 4.548 32.238 1.00 0.00 C ATOM 194 CD GLU A 13 76.510 5.374 30.968 1.00 0.00 C ATOM 195 OE1 GLU A 13 75.557 5.993 30.523 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.619 5.374 30.459 1.00 0.00 O ATOM 0 H GLU A 13 77.588 2.062 33.160 1.00 0.00 H new ATOM 0 HA GLU A 13 74.816 2.887 33.820 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.344 2.666 31.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.739 3.345 31.356 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.648 5.080 32.928 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.253 4.401 32.750 1.00 0.00 H new ATOM 203 N LYS A 14 73.799 1.076 31.963 1.00 0.00 N ATOM 204 CA LYS A 14 73.124 -0.172 31.509 1.00 0.00 C ATOM 205 C LYS A 14 74.029 -0.916 30.524 1.00 0.00 C ATOM 206 O LYS A 14 73.952 -2.120 30.383 1.00 0.00 O ATOM 207 CB LYS A 14 71.812 0.185 30.806 1.00 0.00 C ATOM 208 CG LYS A 14 70.794 0.706 31.824 1.00 0.00 C ATOM 209 CD LYS A 14 69.489 1.060 31.101 1.00 0.00 C ATOM 210 CE LYS A 14 68.466 1.573 32.118 1.00 0.00 C ATOM 211 NZ LYS A 14 67.215 1.979 31.414 1.00 0.00 N ATOM 0 H LYS A 14 73.375 1.940 31.625 1.00 0.00 H new ATOM 0 HA LYS A 14 72.921 -0.805 32.373 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.994 0.941 30.042 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.413 -0.692 30.297 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.607 -0.049 32.587 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.190 1.584 32.335 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.676 1.820 30.342 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.097 0.183 30.585 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.246 0.796 32.850 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.878 2.421 32.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.523 2.327 32.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.430 2.734 30.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 66.818 1.160 30.911 1.00 0.00 H new ATOM 225 N TYR A 15 74.875 -0.209 29.833 1.00 0.00 N ATOM 226 CA TYR A 15 75.774 -0.869 28.843 1.00 0.00 C ATOM 227 C TYR A 15 76.638 -1.919 29.538 1.00 0.00 C ATOM 228 O TYR A 15 77.009 -2.914 28.946 1.00 0.00 O ATOM 229 CB TYR A 15 76.676 0.186 28.189 1.00 0.00 C ATOM 230 CG TYR A 15 75.901 0.932 27.131 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.165 2.066 27.478 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.922 0.485 25.804 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.452 2.764 26.497 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.207 1.179 24.822 1.00 0.00 C ATOM 235 CZ TYR A 15 74.472 2.320 25.168 1.00 0.00 C ATOM 236 OH TYR A 15 73.776 3.013 24.199 1.00 0.00 O ATOM 0 H TYR A 15 74.985 0.802 29.910 1.00 0.00 H new ATOM 0 HA TYR A 15 75.167 -1.357 28.080 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.044 0.882 28.943 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.549 -0.293 27.745 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.146 2.405 28.503 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.490 -0.395 25.539 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.887 3.645 26.764 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.222 0.835 23.798 1.00 0.00 H new ATOM 0 HH TYR A 15 73.896 2.572 23.332 1.00 0.00 H new ATOM 246 N HIS A 16 76.970 -1.723 30.781 1.00 0.00 N ATOM 247 CA HIS A 16 77.813 -2.740 31.466 1.00 0.00 C ATOM 248 C HIS A 16 77.068 -4.082 31.464 1.00 0.00 C ATOM 249 O HIS A 16 77.655 -5.125 31.248 1.00 0.00 O ATOM 250 CB HIS A 16 78.084 -2.304 32.913 1.00 0.00 C ATOM 251 CG HIS A 16 79.186 -1.277 32.947 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.839 -0.929 34.125 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.773 -0.527 31.955 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.774 -0.010 33.811 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.772 0.266 32.506 1.00 0.00 N ATOM 0 H HIS A 16 76.700 -0.917 31.345 1.00 0.00 H new ATOM 0 HA HIS A 16 78.764 -2.841 30.944 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.177 -1.890 33.352 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.363 -3.169 33.515 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.500 -0.551 30.910 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.442 0.446 34.527 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.378 0.923 32.015 1.00 0.00 H new ATOM 263 N SER A 17 75.778 -4.066 31.683 1.00 0.00 N ATOM 264 CA SER A 17 75.007 -5.344 31.680 1.00 0.00 C ATOM 265 C SER A 17 75.078 -5.981 30.290 1.00 0.00 C ATOM 266 O SER A 17 75.209 -7.181 30.153 1.00 0.00 O ATOM 267 CB SER A 17 73.545 -5.060 32.039 1.00 0.00 C ATOM 268 OG SER A 17 72.948 -4.285 31.007 1.00 0.00 O ATOM 0 H SER A 17 75.228 -3.226 31.863 1.00 0.00 H new ATOM 0 HA SER A 17 75.435 -6.027 32.414 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.002 -5.996 32.167 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.489 -4.527 32.988 1.00 0.00 H new ATOM 0 HG SER A 17 73.581 -3.602 30.703 1.00 0.00 H new ATOM 274 N ASN A 18 74.998 -5.185 29.255 1.00 0.00 N ATOM 275 CA ASN A 18 75.069 -5.741 27.872 1.00 0.00 C ATOM 276 C ASN A 18 76.523 -5.734 27.396 1.00 0.00 C ATOM 277 O ASN A 18 76.958 -4.835 26.703 1.00 0.00 O ATOM 278 CB ASN A 18 74.221 -4.873 26.936 1.00 0.00 C ATOM 279 CG ASN A 18 72.735 -5.137 27.199 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.983 -4.224 27.478 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.278 -6.357 27.120 1.00 0.00 N ATOM 0 H ASN A 18 74.886 -4.173 29.309 1.00 0.00 H new ATOM 0 HA ASN A 18 74.690 -6.763 27.867 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.448 -3.819 27.096 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.463 -5.097 25.897 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.290 -6.544 27.292 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.909 -7.124 26.886 1.00 0.00 H new ATOM 288 N TRP A 19 77.283 -6.731 27.761 1.00 0.00 N ATOM 289 CA TRP A 19 78.709 -6.779 27.322 1.00 0.00 C ATOM 290 C TRP A 19 78.776 -7.051 25.817 1.00 0.00 C ATOM 291 O TRP A 19 79.722 -6.684 25.151 1.00 0.00 O ATOM 292 CB TRP A 19 79.462 -7.871 28.095 1.00 0.00 C ATOM 293 CG TRP A 19 78.995 -9.228 27.670 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.128 -10.003 28.362 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.357 -9.986 26.479 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.936 -11.187 27.673 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.670 -11.222 26.505 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.205 -9.723 25.389 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.817 -12.164 25.487 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.355 -10.667 24.362 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.662 -11.886 24.411 1.00 0.00 C ATOM 0 H TRP A 19 76.980 -7.512 28.342 1.00 0.00 H new ATOM 0 HA TRP A 19 79.181 -5.819 27.530 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.534 -7.777 27.919 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.302 -7.743 29.166 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.662 -9.740 29.300 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.327 -11.941 27.989 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.744 -8.788 25.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.281 -13.101 25.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.008 -10.454 23.529 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.782 -12.608 23.617 1.00 0.00 H new ATOM 312 N ARG A 20 77.781 -7.703 25.276 1.00 0.00 N ATOM 313 CA ARG A 20 77.797 -8.006 23.816 1.00 0.00 C ATOM 314 C ARG A 20 77.840 -6.694 23.019 1.00 0.00 C ATOM 315 O ARG A 20 78.544 -6.580 22.034 1.00 0.00 O ATOM 316 CB ARG A 20 76.520 -8.771 23.455 1.00 0.00 C ATOM 317 CG ARG A 20 76.556 -10.164 24.091 1.00 0.00 C ATOM 318 CD ARG A 20 75.271 -10.920 23.744 1.00 0.00 C ATOM 319 NE ARG A 20 75.195 -12.166 24.557 1.00 0.00 N ATOM 320 CZ ARG A 20 74.064 -12.812 24.659 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.990 -12.346 24.086 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.005 -13.920 25.347 1.00 0.00 N ATOM 0 H ARG A 20 76.960 -8.038 25.781 1.00 0.00 H new ATOM 0 HA ARG A 20 78.675 -8.606 23.575 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.645 -8.223 23.805 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.430 -8.857 22.372 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.424 -10.717 23.731 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.659 -10.078 25.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.402 -10.292 23.940 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.255 -11.164 22.682 1.00 0.00 H new ATOM 0 HE ARG A 20 76.026 -12.515 25.034 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.031 -11.475 23.557 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.108 -12.852 24.167 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.842 -14.281 25.805 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.122 -14.424 25.427 1.00 0.00 H new ATOM 336 N ALA A 21 77.103 -5.701 23.443 1.00 0.00 N ATOM 337 CA ALA A 21 77.115 -4.396 22.712 1.00 0.00 C ATOM 338 C ALA A 21 78.529 -3.808 22.737 1.00 0.00 C ATOM 339 O ALA A 21 79.017 -3.283 21.754 1.00 0.00 O ATOM 340 CB ALA A 21 76.146 -3.418 23.385 1.00 0.00 C ATOM 0 H ALA A 21 76.495 -5.735 24.261 1.00 0.00 H new ATOM 0 HA ALA A 21 76.806 -4.560 21.680 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.157 -2.468 22.850 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.138 -3.833 23.366 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.452 -3.256 24.418 1.00 0.00 H new ATOM 346 N MET A 22 79.190 -3.895 23.860 1.00 0.00 N ATOM 347 CA MET A 22 80.576 -3.345 23.968 1.00 0.00 C ATOM 348 C MET A 22 81.501 -4.084 23.004 1.00 0.00 C ATOM 349 O MET A 22 82.282 -3.487 22.292 1.00 0.00 O ATOM 350 CB MET A 22 81.084 -3.554 25.395 1.00 0.00 C ATOM 351 CG MET A 22 82.396 -2.793 25.604 1.00 0.00 C ATOM 352 SD MET A 22 83.141 -3.314 27.171 1.00 0.00 S ATOM 353 CE MET A 22 81.772 -2.838 28.256 1.00 0.00 C ATOM 0 H MET A 22 78.830 -4.325 24.712 1.00 0.00 H new ATOM 0 HA MET A 22 80.564 -2.283 23.721 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.337 -3.209 26.109 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.237 -4.617 25.583 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.080 -2.990 24.779 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.210 -1.719 25.615 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.146 -2.685 29.268 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.323 -1.914 27.892 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.021 -3.628 28.262 1.00 0.00 H new ATOM 363 N ALA A 23 81.421 -5.383 22.979 1.00 0.00 N ATOM 364 CA ALA A 23 82.300 -6.160 22.064 1.00 0.00 C ATOM 365 C ALA A 23 81.950 -5.808 20.622 1.00 0.00 C ATOM 366 O ALA A 23 82.816 -5.660 19.780 1.00 0.00 O ATOM 367 CB ALA A 23 82.090 -7.658 22.303 1.00 0.00 C ATOM 0 H ALA A 23 80.786 -5.940 23.551 1.00 0.00 H new ATOM 0 HA ALA A 23 83.345 -5.914 22.254 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.734 -8.227 21.633 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.338 -7.900 23.337 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.048 -7.915 22.110 1.00 0.00 H new ATOM 373 N SER A 24 80.688 -5.667 20.327 1.00 0.00 N ATOM 374 CA SER A 24 80.281 -5.317 18.938 1.00 0.00 C ATOM 375 C SER A 24 80.729 -3.891 18.619 1.00 0.00 C ATOM 376 O SER A 24 81.183 -3.599 17.531 1.00 0.00 O ATOM 377 CB SER A 24 78.759 -5.417 18.817 1.00 0.00 C ATOM 378 OG SER A 24 78.371 -5.094 17.487 1.00 0.00 O ATOM 0 H SER A 24 79.920 -5.779 20.989 1.00 0.00 H new ATOM 0 HA SER A 24 80.748 -6.007 18.235 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.428 -6.424 19.070 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.281 -4.738 19.523 1.00 0.00 H new ATOM 0 HG SER A 24 77.397 -5.159 17.406 1.00 0.00 H new ATOM 384 N ASP A 25 80.604 -2.994 19.558 1.00 0.00 N ATOM 385 CA ASP A 25 81.021 -1.586 19.297 1.00 0.00 C ATOM 386 C ASP A 25 82.525 -1.517 19.003 1.00 0.00 C ATOM 387 O ASP A 25 82.955 -0.785 18.133 1.00 0.00 O ATOM 388 CB ASP A 25 80.702 -0.723 20.519 1.00 0.00 C ATOM 389 CG ASP A 25 79.186 -0.548 20.640 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.482 -1.039 19.774 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.757 0.072 21.600 1.00 0.00 O ATOM 0 H ASP A 25 80.233 -3.173 20.491 1.00 0.00 H new ATOM 0 HA ASP A 25 80.475 -1.215 18.430 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.098 -1.190 21.421 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.185 0.250 20.426 1.00 0.00 H new ATOM 396 N PHE A 26 83.328 -2.271 19.718 1.00 0.00 N ATOM 397 CA PHE A 26 84.814 -2.241 19.480 1.00 0.00 C ATOM 398 C PHE A 26 85.246 -3.488 18.698 1.00 0.00 C ATOM 399 O PHE A 26 86.399 -3.639 18.341 1.00 0.00 O ATOM 400 CB PHE A 26 85.549 -2.205 20.825 1.00 0.00 C ATOM 401 CG PHE A 26 85.360 -0.851 21.468 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.226 0.197 21.140 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.324 -0.642 22.393 1.00 0.00 C ATOM 404 CE1 PHE A 26 86.061 1.453 21.730 1.00 0.00 C ATOM 405 CE2 PHE A 26 84.160 0.619 22.984 1.00 0.00 C ATOM 406 CZ PHE A 26 85.028 1.666 22.652 1.00 0.00 C ATOM 0 H PHE A 26 83.022 -2.906 20.456 1.00 0.00 H new ATOM 0 HA PHE A 26 85.063 -1.351 18.902 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.167 -2.987 21.481 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.610 -2.404 20.677 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.023 0.035 20.430 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.655 -1.451 22.649 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.731 2.261 21.475 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.364 0.783 23.695 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.901 2.637 23.106 1.00 0.00 H new ATOM 416 N ASN A 27 84.328 -4.370 18.420 1.00 0.00 N ATOM 417 CA ASN A 27 84.665 -5.604 17.648 1.00 0.00 C ATOM 418 C ASN A 27 85.830 -6.354 18.305 1.00 0.00 C ATOM 419 O ASN A 27 86.786 -6.712 17.646 1.00 0.00 O ATOM 420 CB ASN A 27 85.050 -5.230 16.213 1.00 0.00 C ATOM 421 CG ASN A 27 83.809 -4.742 15.461 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.695 -5.014 15.862 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.956 -4.037 14.373 1.00 0.00 N ATOM 0 H ASN A 27 83.349 -4.291 18.696 1.00 0.00 H new ATOM 0 HA ASN A 27 83.789 -6.252 17.638 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.813 -4.451 16.221 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.481 -6.093 15.704 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.136 -3.714 13.860 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.891 -3.808 14.036 1.00 0.00 H new ATOM 430 N LEU A 28 85.757 -6.602 19.591 1.00 0.00 N ATOM 431 CA LEU A 28 86.864 -7.343 20.291 1.00 0.00 C ATOM 432 C LEU A 28 86.311 -8.651 20.887 1.00 0.00 C ATOM 433 O LEU A 28 85.165 -8.706 21.282 1.00 0.00 O ATOM 434 CB LEU A 28 87.386 -6.485 21.448 1.00 0.00 C ATOM 435 CG LEU A 28 88.024 -5.192 20.919 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.090 -4.174 22.058 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.448 -5.463 20.409 1.00 0.00 C ATOM 0 H LEU A 28 84.979 -6.325 20.190 1.00 0.00 H new ATOM 0 HA LEU A 28 87.659 -7.557 19.577 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.567 -6.242 22.125 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.119 -7.049 22.024 1.00 0.00 H new ATOM 0 HG LEU A 28 87.421 -4.809 20.096 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.541 -3.251 21.695 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.083 -3.968 22.420 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.693 -4.577 22.872 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.884 -4.536 20.038 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.059 -5.851 21.224 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.412 -6.195 19.602 1.00 0.00 H new ATOM 449 N PRO A 29 87.115 -9.694 20.990 1.00 0.00 N ATOM 450 CA PRO A 29 86.652 -10.977 21.592 1.00 0.00 C ATOM 451 C PRO A 29 85.935 -10.730 22.936 1.00 0.00 C ATOM 452 O PRO A 29 86.374 -9.907 23.715 1.00 0.00 O ATOM 453 CB PRO A 29 87.948 -11.771 21.832 1.00 0.00 C ATOM 454 CG PRO A 29 88.949 -11.222 20.861 1.00 0.00 C ATOM 455 CD PRO A 29 88.523 -9.778 20.541 1.00 0.00 C ATOM 0 HA PRO A 29 85.942 -11.498 20.949 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.294 -11.653 22.859 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.789 -12.837 21.669 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.952 -11.242 21.288 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.977 -11.826 19.954 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.149 -9.055 21.064 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.612 -9.565 19.476 1.00 0.00 H new ATOM 463 N PRO A 30 84.862 -11.429 23.231 1.00 0.00 N ATOM 464 CA PRO A 30 84.144 -11.245 24.524 1.00 0.00 C ATOM 465 C PRO A 30 85.118 -11.174 25.705 1.00 0.00 C ATOM 466 O PRO A 30 84.769 -10.778 26.797 1.00 0.00 O ATOM 467 CB PRO A 30 83.273 -12.504 24.629 1.00 0.00 C ATOM 468 CG PRO A 30 82.986 -12.889 23.214 1.00 0.00 C ATOM 469 CD PRO A 30 84.209 -12.456 22.393 1.00 0.00 C ATOM 0 HA PRO A 30 83.575 -10.316 24.553 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.794 -13.302 25.158 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.353 -12.304 25.179 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.821 -13.963 23.129 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.082 -12.398 22.853 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.877 -13.296 22.199 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.916 -12.052 21.424 1.00 0.00 H new ATOM 477 N VAL A 31 86.331 -11.585 25.496 1.00 0.00 N ATOM 478 CA VAL A 31 87.324 -11.586 26.604 1.00 0.00 C ATOM 479 C VAL A 31 87.533 -10.171 27.151 1.00 0.00 C ATOM 480 O VAL A 31 87.476 -9.947 28.344 1.00 0.00 O ATOM 481 CB VAL A 31 88.651 -12.125 26.054 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.775 -11.967 27.085 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.482 -13.606 25.709 1.00 0.00 C ATOM 0 H VAL A 31 86.683 -11.923 24.600 1.00 0.00 H new ATOM 0 HA VAL A 31 86.959 -12.212 27.418 1.00 0.00 H new ATOM 0 HB VAL A 31 88.919 -11.557 25.163 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.705 -12.356 26.672 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.900 -10.912 27.329 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.520 -12.520 27.989 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.421 -13.998 25.317 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.204 -14.159 26.606 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.700 -13.718 24.958 1.00 0.00 H new ATOM 493 N VAL A 32 87.789 -9.219 26.305 1.00 0.00 N ATOM 494 CA VAL A 32 88.022 -7.838 26.810 1.00 0.00 C ATOM 495 C VAL A 32 86.749 -7.309 27.466 1.00 0.00 C ATOM 496 O VAL A 32 86.783 -6.741 28.538 1.00 0.00 O ATOM 497 CB VAL A 32 88.440 -6.935 25.645 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.462 -5.469 26.097 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.837 -7.348 25.168 1.00 0.00 C ATOM 0 H VAL A 32 87.847 -9.333 25.293 1.00 0.00 H new ATOM 0 HA VAL A 32 88.819 -7.847 27.554 1.00 0.00 H new ATOM 0 HB VAL A 32 87.724 -7.041 24.830 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.760 -4.835 25.262 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.468 -5.178 26.436 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.173 -5.351 26.914 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.142 -6.710 24.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.548 -7.242 25.988 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.816 -8.387 24.838 1.00 0.00 H new ATOM 509 N ALA A 33 85.626 -7.492 26.837 1.00 0.00 N ATOM 510 CA ALA A 33 84.361 -6.999 27.439 1.00 0.00 C ATOM 511 C ALA A 33 84.091 -7.729 28.759 1.00 0.00 C ATOM 512 O ALA A 33 83.699 -7.128 29.739 1.00 0.00 O ATOM 513 CB ALA A 33 83.201 -7.243 26.470 1.00 0.00 C ATOM 0 H ALA A 33 85.529 -7.960 25.936 1.00 0.00 H new ATOM 0 HA ALA A 33 84.452 -5.930 27.634 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.274 -6.881 26.914 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.389 -6.712 25.537 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.114 -8.311 26.269 1.00 0.00 H new ATOM 519 N LYS A 34 84.281 -9.024 28.794 1.00 0.00 N ATOM 520 CA LYS A 34 84.015 -9.779 30.052 1.00 0.00 C ATOM 521 C LYS A 34 84.952 -9.298 31.164 1.00 0.00 C ATOM 522 O LYS A 34 84.551 -9.157 32.302 1.00 0.00 O ATOM 523 CB LYS A 34 84.226 -11.279 29.797 1.00 0.00 C ATOM 524 CG LYS A 34 83.113 -11.831 28.883 1.00 0.00 C ATOM 525 CD LYS A 34 81.836 -12.118 29.685 1.00 0.00 C ATOM 526 CE LYS A 34 80.830 -12.855 28.799 1.00 0.00 C ATOM 527 NZ LYS A 34 79.605 -13.163 29.591 1.00 0.00 N ATOM 0 H LYS A 34 84.607 -9.587 28.009 1.00 0.00 H new ATOM 0 HA LYS A 34 82.986 -9.606 30.367 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.199 -11.442 29.335 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.229 -11.819 30.744 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.897 -11.112 28.092 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.455 -12.745 28.398 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.073 -12.720 30.562 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.403 -11.185 30.046 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.573 -12.243 27.935 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.271 -13.776 28.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.410 -14.184 29.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.752 -12.882 30.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.797 -12.639 29.199 1.00 0.00 H new ATOM 541 N GLU A 35 86.194 -9.041 30.855 1.00 0.00 N ATOM 542 CA GLU A 35 87.129 -8.575 31.918 1.00 0.00 C ATOM 543 C GLU A 35 86.642 -7.228 32.476 1.00 0.00 C ATOM 544 O GLU A 35 86.695 -6.989 33.668 1.00 0.00 O ATOM 545 CB GLU A 35 88.534 -8.410 31.325 1.00 0.00 C ATOM 546 CG GLU A 35 89.579 -8.339 32.448 1.00 0.00 C ATOM 547 CD GLU A 35 89.475 -6.991 33.166 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.985 -6.054 32.559 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.891 -6.918 34.312 1.00 0.00 O ATOM 0 H GLU A 35 86.598 -9.132 29.923 1.00 0.00 H new ATOM 0 HA GLU A 35 87.160 -9.309 32.723 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.758 -9.246 30.663 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.577 -7.504 30.720 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.421 -9.152 33.156 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.580 -8.466 32.035 1.00 0.00 H new ATOM 556 N ILE A 36 86.163 -6.347 31.630 1.00 0.00 N ATOM 557 CA ILE A 36 85.675 -5.024 32.129 1.00 0.00 C ATOM 558 C ILE A 36 84.505 -5.247 33.099 1.00 0.00 C ATOM 559 O ILE A 36 84.434 -4.634 34.148 1.00 0.00 O ATOM 560 CB ILE A 36 85.211 -4.156 30.948 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.420 -3.726 30.107 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.505 -2.900 31.476 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.934 -3.141 28.776 1.00 0.00 C ATOM 0 H ILE A 36 86.089 -6.486 30.622 1.00 0.00 H new ATOM 0 HA ILE A 36 86.486 -4.512 32.647 1.00 0.00 H new ATOM 0 HB ILE A 36 84.525 -4.738 30.333 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.009 -2.986 30.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.072 -4.580 29.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.177 -2.287 30.637 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.640 -3.192 32.072 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.196 -2.328 32.096 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.792 -2.835 28.178 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.364 -3.895 28.234 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.300 -2.276 28.969 1.00 0.00 H new ATOM 575 N VAL A 37 83.594 -6.119 32.765 1.00 0.00 N ATOM 576 CA VAL A 37 82.443 -6.385 33.675 1.00 0.00 C ATOM 577 C VAL A 37 82.992 -6.929 34.995 1.00 0.00 C ATOM 578 O VAL A 37 82.530 -6.592 36.068 1.00 0.00 O ATOM 579 CB VAL A 37 81.515 -7.420 33.022 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.317 -7.732 33.930 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.003 -6.867 31.691 1.00 0.00 C ATOM 0 H VAL A 37 83.597 -6.660 31.900 1.00 0.00 H new ATOM 0 HA VAL A 37 81.878 -5.471 33.860 1.00 0.00 H new ATOM 0 HB VAL A 37 82.079 -8.339 32.860 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.675 -8.467 33.445 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.674 -8.132 34.879 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.750 -6.819 34.111 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.344 -7.598 31.223 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.453 -5.943 31.868 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.847 -6.666 31.032 1.00 0.00 H new ATOM 591 N ALA A 38 83.979 -7.778 34.909 1.00 0.00 N ATOM 592 CA ALA A 38 84.589 -8.368 36.136 1.00 0.00 C ATOM 593 C ALA A 38 85.339 -7.285 36.910 1.00 0.00 C ATOM 594 O ALA A 38 85.457 -7.336 38.117 1.00 0.00 O ATOM 595 CB ALA A 38 85.577 -9.460 35.726 1.00 0.00 C ATOM 0 H ALA A 38 84.394 -8.092 34.032 1.00 0.00 H new ATOM 0 HA ALA A 38 83.804 -8.788 36.765 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.027 -9.896 36.617 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.052 -10.235 35.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.357 -9.028 35.100 1.00 0.00 H new ATOM 601 N SER A 39 85.853 -6.309 36.219 1.00 0.00 N ATOM 602 CA SER A 39 86.603 -5.227 36.904 1.00 0.00 C ATOM 603 C SER A 39 85.628 -4.360 37.702 1.00 0.00 C ATOM 604 O SER A 39 85.912 -3.944 38.808 1.00 0.00 O ATOM 605 CB SER A 39 87.328 -4.379 35.860 1.00 0.00 C ATOM 606 OG SER A 39 88.452 -5.101 35.371 1.00 0.00 O ATOM 0 H SER A 39 85.785 -6.215 35.206 1.00 0.00 H new ATOM 0 HA SER A 39 87.335 -5.657 37.587 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.653 -4.134 35.040 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.650 -3.435 36.300 1.00 0.00 H new ATOM 0 HG SER A 39 88.187 -6.024 35.173 1.00 0.00 H new ATOM 612 N CYS A 40 84.472 -4.097 37.161 1.00 0.00 N ATOM 613 CA CYS A 40 83.477 -3.268 37.897 1.00 0.00 C ATOM 614 C CYS A 40 82.913 -4.098 39.059 1.00 0.00 C ATOM 615 O CYS A 40 82.223 -5.079 38.860 1.00 0.00 O ATOM 616 CB CYS A 40 82.356 -2.873 36.937 1.00 0.00 C ATOM 617 SG CYS A 40 81.101 -1.910 37.817 1.00 0.00 S ATOM 0 H CYS A 40 84.173 -4.420 36.241 1.00 0.00 H new ATOM 0 HA CYS A 40 83.943 -2.365 38.291 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.762 -2.289 36.111 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.905 -3.766 36.504 1.00 0.00 H new ATOM 622 N ASP A 41 83.228 -3.725 40.271 1.00 0.00 N ATOM 623 CA ASP A 41 82.742 -4.495 41.457 1.00 0.00 C ATOM 624 C ASP A 41 81.215 -4.522 41.493 1.00 0.00 C ATOM 625 O ASP A 41 80.612 -5.524 41.819 1.00 0.00 O ATOM 626 CB ASP A 41 83.268 -3.843 42.736 1.00 0.00 C ATOM 627 CG ASP A 41 84.777 -4.080 42.848 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.207 -5.180 42.545 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.474 -3.157 43.239 1.00 0.00 O ATOM 0 H ASP A 41 83.805 -2.914 40.493 1.00 0.00 H new ATOM 0 HA ASP A 41 83.108 -5.519 41.383 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.057 -2.774 42.725 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.758 -4.259 43.605 1.00 0.00 H new ATOM 634 N LYS A 42 80.582 -3.432 41.178 1.00 0.00 N ATOM 635 CA LYS A 42 79.092 -3.409 41.207 1.00 0.00 C ATOM 636 C LYS A 42 78.537 -4.455 40.237 1.00 0.00 C ATOM 637 O LYS A 42 77.549 -5.104 40.515 1.00 0.00 O ATOM 638 CB LYS A 42 78.588 -2.029 40.801 1.00 0.00 C ATOM 639 CG LYS A 42 78.923 -1.020 41.908 1.00 0.00 C ATOM 640 CD LYS A 42 78.369 0.367 41.545 1.00 0.00 C ATOM 641 CE LYS A 42 79.324 1.083 40.586 1.00 0.00 C ATOM 642 NZ LYS A 42 80.612 1.340 41.283 1.00 0.00 N ATOM 0 H LYS A 42 81.027 -2.557 40.902 1.00 0.00 H new ATOM 0 HA LYS A 42 78.755 -3.636 42.218 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.049 -1.723 39.862 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.511 -2.057 40.633 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.498 -1.353 42.855 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.003 -0.964 42.045 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.387 0.265 41.083 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.236 0.962 42.449 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.492 0.473 39.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.885 2.022 40.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 81.081 2.163 40.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.430 1.531 42.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 81.227 0.506 41.194 1.00 0.00 H new ATOM 656 N CYS A 43 79.148 -4.610 39.090 1.00 0.00 N ATOM 657 CA CYS A 43 78.631 -5.604 38.105 1.00 0.00 C ATOM 658 C CYS A 43 78.967 -7.023 38.565 1.00 0.00 C ATOM 659 O CYS A 43 78.225 -7.956 38.328 1.00 0.00 O ATOM 660 CB CYS A 43 79.289 -5.389 36.744 1.00 0.00 C ATOM 661 SG CYS A 43 78.762 -3.813 36.037 1.00 0.00 S ATOM 0 H CYS A 43 79.977 -4.094 38.795 1.00 0.00 H new ATOM 0 HA CYS A 43 77.552 -5.473 38.029 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.374 -5.403 36.850 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.024 -6.204 36.071 1.00 0.00 H new ATOM 666 N GLN A 44 80.100 -7.198 39.188 1.00 0.00 N ATOM 667 CA GLN A 44 80.507 -8.562 39.634 1.00 0.00 C ATOM 668 C GLN A 44 79.786 -8.935 40.929 1.00 0.00 C ATOM 669 O GLN A 44 78.911 -9.779 40.946 1.00 0.00 O ATOM 670 CB GLN A 44 82.019 -8.567 39.880 1.00 0.00 C ATOM 671 CG GLN A 44 82.505 -9.993 40.153 1.00 0.00 C ATOM 672 CD GLN A 44 84.013 -9.972 40.430 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.821 -9.419 39.564 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.461 -10.457 41.452 1.00 0.00 N ATOM 0 H GLN A 44 80.763 -6.455 39.408 1.00 0.00 H new ATOM 0 HA GLN A 44 80.244 -9.287 38.864 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.537 -8.158 39.013 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.259 -7.925 40.727 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.973 -10.413 41.006 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.290 -10.633 39.297 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.833 -10.889 42.129 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.465 -10.431 41.631 1.00 0.00 H new ATOM 683 N LEU A 45 80.149 -8.320 42.014 1.00 0.00 N ATOM 684 CA LEU A 45 79.491 -8.646 43.311 1.00 0.00 C ATOM 685 C LEU A 45 78.118 -7.963 43.394 1.00 0.00 C ATOM 686 O LEU A 45 77.991 -6.775 43.175 1.00 0.00 O ATOM 687 CB LEU A 45 80.369 -8.158 44.465 1.00 0.00 C ATOM 688 CG LEU A 45 81.785 -8.736 44.338 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.625 -8.242 45.518 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.739 -10.274 44.347 1.00 0.00 C ATOM 0 H LEU A 45 80.874 -7.604 42.063 1.00 0.00 H new ATOM 0 HA LEU A 45 79.358 -9.726 43.379 1.00 0.00 H new ATOM 0 HB2 LEU A 45 80.412 -7.069 44.463 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.930 -8.458 45.417 1.00 0.00 H new ATOM 0 HG LEU A 45 82.227 -8.408 43.397 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.635 -8.646 45.440 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.668 -7.153 45.504 1.00 0.00 H new ATOM 0 HD13 LEU A 45 82.172 -8.575 46.452 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.751 -10.669 44.256 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.297 -10.619 45.282 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.136 -10.625 43.509 1.00 0.00 H new ATOM 702 N LYS A 46 77.089 -8.706 43.726 1.00 0.00 N ATOM 703 CA LYS A 46 75.726 -8.107 43.839 1.00 0.00 C ATOM 704 C LYS A 46 75.509 -7.589 45.272 1.00 0.00 C ATOM 705 O LYS A 46 74.521 -6.949 45.564 1.00 0.00 O ATOM 706 CB LYS A 46 74.672 -9.170 43.501 1.00 0.00 C ATOM 707 CG LYS A 46 74.759 -9.523 42.012 1.00 0.00 C ATOM 708 CD LYS A 46 73.709 -10.584 41.665 1.00 0.00 C ATOM 709 CE LYS A 46 73.810 -10.927 40.179 1.00 0.00 C ATOM 710 NZ LYS A 46 73.251 -9.808 39.370 1.00 0.00 N ATOM 0 H LYS A 46 77.137 -9.705 43.924 1.00 0.00 H new ATOM 0 HA LYS A 46 75.633 -7.275 43.141 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.833 -10.062 44.107 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.676 -8.798 43.740 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.600 -8.630 41.408 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.756 -9.894 41.775 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.866 -11.478 42.268 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.711 -10.214 41.898 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.850 -11.103 39.906 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.266 -11.848 39.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.131 -10.118 38.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.329 -9.526 39.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.902 -8.998 39.401 1.00 0.00 H new ATOM 724 N GLY A 47 76.433 -7.854 46.162 1.00 0.00 N ATOM 725 CA GLY A 47 76.291 -7.367 47.571 1.00 0.00 C ATOM 726 C GLY A 47 75.183 -8.139 48.298 1.00 0.00 C ATOM 727 O GLY A 47 74.587 -7.646 49.235 1.00 0.00 O ATOM 0 H GLY A 47 77.282 -8.388 45.974 1.00 0.00 H new ATOM 0 HA2 GLY A 47 77.235 -7.490 48.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 76.061 -6.302 47.572 1.00 0.00 H new ATOM 731 N GLU A 48 74.900 -9.338 47.871 1.00 0.00 N ATOM 732 CA GLU A 48 73.823 -10.137 48.529 1.00 0.00 C ATOM 733 C GLU A 48 74.378 -10.870 49.760 1.00 0.00 C ATOM 734 O GLU A 48 75.407 -11.514 49.710 1.00 0.00 O ATOM 735 CB GLU A 48 73.275 -11.151 47.516 1.00 0.00 C ATOM 736 CG GLU A 48 74.373 -12.152 47.141 1.00 0.00 C ATOM 737 CD GLU A 48 73.913 -13.002 45.955 1.00 0.00 C ATOM 738 OE1 GLU A 48 73.451 -12.429 44.982 1.00 0.00 O ATOM 739 OE2 GLU A 48 74.047 -14.213 46.033 1.00 0.00 O ATOM 0 H GLU A 48 75.368 -9.802 47.093 1.00 0.00 H new ATOM 0 HA GLU A 48 73.024 -9.473 48.859 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.420 -11.677 47.940 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.921 -10.634 46.624 1.00 0.00 H new ATOM 0 HG2 GLU A 48 75.291 -11.622 46.886 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.601 -12.792 47.993 1.00 0.00 H new ATOM 746 N ALA A 49 73.696 -10.772 50.872 1.00 0.00 N ATOM 747 CA ALA A 49 74.166 -11.458 52.111 1.00 0.00 C ATOM 748 C ALA A 49 73.042 -11.428 53.151 1.00 0.00 C ATOM 749 O ALA A 49 72.571 -10.375 53.532 1.00 0.00 O ATOM 750 CB ALA A 49 75.394 -10.737 52.666 1.00 0.00 C ATOM 0 H ALA A 49 72.830 -10.244 50.975 1.00 0.00 H new ATOM 0 HA ALA A 49 74.432 -12.490 51.881 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.734 -11.241 53.571 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.191 -10.750 51.922 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.134 -9.705 52.902 1.00 0.00 H new ATOM 756 N MET A 50 72.600 -12.568 53.612 1.00 0.00 N ATOM 757 CA MET A 50 71.499 -12.587 54.625 1.00 0.00 C ATOM 758 C MET A 50 72.095 -12.561 56.033 1.00 0.00 C ATOM 759 O MET A 50 72.849 -13.430 56.402 1.00 0.00 O ATOM 760 CB MET A 50 70.672 -13.864 54.452 1.00 0.00 C ATOM 761 CG MET A 50 70.055 -13.889 53.052 1.00 0.00 C ATOM 762 SD MET A 50 69.070 -15.393 52.849 1.00 0.00 S ATOM 763 CE MET A 50 68.442 -15.017 51.197 1.00 0.00 C ATOM 0 H MET A 50 72.951 -13.484 53.334 1.00 0.00 H new ATOM 0 HA MET A 50 70.863 -11.713 54.483 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.303 -14.741 54.598 1.00 0.00 H new ATOM 0 HB3 MET A 50 69.887 -13.906 55.207 1.00 0.00 H new ATOM 0 HG2 MET A 50 69.429 -13.009 52.904 1.00 0.00 H new ATOM 0 HG3 MET A 50 70.840 -13.852 52.297 1.00 0.00 H new ATOM 0 HE1 MET A 50 67.795 -15.827 50.861 1.00 0.00 H new ATOM 0 HE2 MET A 50 67.874 -14.087 51.227 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.278 -14.910 50.506 1.00 0.00 H new ATOM 773 N HIS A 51 71.762 -11.578 56.824 1.00 0.00 N ATOM 774 CA HIS A 51 72.314 -11.523 58.209 1.00 0.00 C ATOM 775 C HIS A 51 71.635 -10.394 58.993 1.00 0.00 C ATOM 776 O HIS A 51 71.138 -9.448 58.417 1.00 0.00 O ATOM 777 CB HIS A 51 73.827 -11.278 58.155 1.00 0.00 C ATOM 778 CG HIS A 51 74.399 -11.417 59.536 1.00 0.00 C ATOM 779 ND1 HIS A 51 74.511 -10.338 60.401 1.00 0.00 N ATOM 780 CD2 HIS A 51 74.881 -12.502 60.225 1.00 0.00 C ATOM 781 CE1 HIS A 51 75.040 -10.794 61.551 1.00 0.00 C ATOM 782 NE2 HIS A 51 75.282 -12.104 61.495 1.00 0.00 N ATOM 0 H HIS A 51 71.135 -10.814 56.574 1.00 0.00 H new ATOM 0 HA HIS A 51 72.122 -12.473 58.709 1.00 0.00 H new ATOM 0 HB2 HIS A 51 74.299 -11.991 57.479 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.032 -10.282 57.762 1.00 0.00 H new ATOM 0 HD2 HIS A 51 74.940 -13.509 59.840 1.00 0.00 H new ATOM 0 HE1 HIS A 51 75.243 -10.176 62.413 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.678 -12.691 62.229 1.00 0.00 H new ATOM 790 N GLY A 52 71.616 -10.482 60.305 1.00 0.00 N ATOM 791 CA GLY A 52 70.974 -9.405 61.135 1.00 0.00 C ATOM 792 C GLY A 52 69.623 -9.896 61.666 1.00 0.00 C ATOM 793 O GLY A 52 69.560 -10.679 62.595 1.00 0.00 O ATOM 0 H GLY A 52 72.017 -11.253 60.838 1.00 0.00 H new ATOM 0 HA2 GLY A 52 71.626 -9.136 61.966 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.834 -8.505 60.535 1.00 0.00 H new ATOM 797 N GLN A 53 68.543 -9.440 61.091 1.00 0.00 N ATOM 798 CA GLN A 53 67.205 -9.884 61.573 1.00 0.00 C ATOM 799 C GLN A 53 66.944 -11.313 61.096 1.00 0.00 C ATOM 800 O GLN A 53 67.512 -11.759 60.119 1.00 0.00 O ATOM 801 CB GLN A 53 66.112 -8.962 61.021 1.00 0.00 C ATOM 802 CG GLN A 53 66.210 -7.586 61.681 1.00 0.00 C ATOM 803 CD GLN A 53 65.110 -6.674 61.125 1.00 0.00 C ATOM 804 OE1 GLN A 53 64.904 -5.581 61.617 1.00 0.00 O ATOM 805 NE2 GLN A 53 64.372 -7.090 60.134 1.00 0.00 N ATOM 0 H GLN A 53 68.530 -8.782 60.312 1.00 0.00 H new ATOM 0 HA GLN A 53 67.189 -9.846 62.662 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.217 -8.865 59.940 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.130 -9.396 61.208 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.107 -7.681 62.762 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.190 -7.149 61.492 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.543 -8.006 59.720 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.623 -6.499 59.773 1.00 0.00 H new ATOM 814 N VAL A 54 66.094 -12.038 61.780 1.00 0.00 N ATOM 815 CA VAL A 54 65.797 -13.445 61.371 1.00 0.00 C ATOM 816 C VAL A 54 64.480 -13.488 60.586 1.00 0.00 C ATOM 817 O VAL A 54 63.444 -13.074 61.063 1.00 0.00 O ATOM 818 CB VAL A 54 65.678 -14.317 62.622 1.00 0.00 C ATOM 819 CG1 VAL A 54 65.367 -15.757 62.210 1.00 0.00 C ATOM 820 CG2 VAL A 54 67.001 -14.282 63.399 1.00 0.00 C ATOM 0 H VAL A 54 65.592 -11.715 62.607 1.00 0.00 H new ATOM 0 HA VAL A 54 66.602 -13.819 60.739 1.00 0.00 H new ATOM 0 HB VAL A 54 64.876 -13.937 63.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.282 -16.380 63.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 64.427 -15.783 61.658 1.00 0.00 H new ATOM 0 HG13 VAL A 54 66.170 -16.136 61.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.916 -14.903 64.290 1.00 0.00 H new ATOM 0 HG22 VAL A 54 67.804 -14.662 62.767 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.224 -13.256 63.692 1.00 0.00 H new ATOM 830 N ASP A 55 64.522 -13.985 59.378 1.00 0.00 N ATOM 831 CA ASP A 55 63.288 -14.056 58.538 1.00 0.00 C ATOM 832 C ASP A 55 62.526 -15.351 58.835 1.00 0.00 C ATOM 833 O ASP A 55 63.173 -16.355 59.077 1.00 0.00 O ATOM 834 CB ASP A 55 63.701 -14.033 57.062 1.00 0.00 C ATOM 835 CG ASP A 55 62.463 -13.954 56.168 1.00 0.00 C ATOM 836 OD1 ASP A 55 61.371 -14.145 56.677 1.00 0.00 O ATOM 837 OD2 ASP A 55 62.630 -13.706 54.984 1.00 0.00 O ATOM 838 OXT ASP A 55 61.305 -15.313 58.821 1.00 0.00 O ATOM 0 H ASP A 55 65.365 -14.348 58.933 1.00 0.00 H new ATOM 0 HA ASP A 55 62.641 -13.208 58.762 1.00 0.00 H new ATOM 0 HB2 ASP A 55 64.351 -13.179 56.872 1.00 0.00 H new ATOM 0 HB3 ASP A 55 64.274 -14.929 56.823 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 94.150 -14.357 22.002 1.00 0.00 N ATOM 845 CA PHE B 1 93.033 -14.188 22.976 1.00 0.00 C ATOM 846 C PHE B 1 92.455 -15.551 23.355 1.00 0.00 C ATOM 847 O PHE B 1 92.807 -16.127 24.366 1.00 0.00 O ATOM 848 CB PHE B 1 91.921 -13.344 22.348 1.00 0.00 C ATOM 849 CG PHE B 1 92.381 -11.911 22.187 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.216 -11.561 21.120 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.963 -10.933 23.097 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.633 -10.233 20.962 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.379 -9.607 22.940 1.00 0.00 C ATOM 854 CZ PHE B 1 93.214 -9.255 21.873 1.00 0.00 C ATOM 0 H1 PHE B 1 94.321 -13.457 21.511 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.012 -14.645 22.508 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.897 -15.088 21.307 1.00 0.00 H new ATOM 0 HA PHE B 1 93.421 -13.693 23.866 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.645 -13.756 21.377 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.030 -13.379 22.974 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.539 -12.315 20.418 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.319 -11.203 23.921 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.277 -9.963 20.138 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.056 -8.854 23.643 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.535 -8.231 21.752 1.00 0.00 H new ATOM 866 N LEU B 2 91.548 -16.062 22.562 1.00 0.00 N ATOM 867 CA LEU B 2 90.925 -17.376 22.889 1.00 0.00 C ATOM 868 C LEU B 2 91.987 -18.471 22.953 1.00 0.00 C ATOM 869 O LEU B 2 91.965 -19.317 23.828 1.00 0.00 O ATOM 870 CB LEU B 2 89.897 -17.731 21.810 1.00 0.00 C ATOM 871 CG LEU B 2 88.804 -16.653 21.752 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.859 -16.953 20.581 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.005 -16.635 23.067 1.00 0.00 C ATOM 0 H LEU B 2 91.213 -15.625 21.703 1.00 0.00 H new ATOM 0 HA LEU B 2 90.437 -17.302 23.861 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.389 -17.815 20.841 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.451 -18.702 22.026 1.00 0.00 H new ATOM 0 HG LEU B 2 89.270 -15.678 21.610 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.082 -16.190 20.536 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.423 -16.951 19.648 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.400 -17.931 20.725 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.233 -15.867 23.013 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.538 -17.608 23.223 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.676 -16.418 23.898 1.00 0.00 H new ATOM 885 N ASP B 3 92.912 -18.474 22.040 1.00 0.00 N ATOM 886 CA ASP B 3 93.962 -19.533 22.058 1.00 0.00 C ATOM 887 C ASP B 3 94.808 -19.415 23.329 1.00 0.00 C ATOM 888 O ASP B 3 95.074 -20.393 23.999 1.00 0.00 O ATOM 889 CB ASP B 3 94.862 -19.369 20.836 1.00 0.00 C ATOM 890 CG ASP B 3 94.079 -19.740 19.574 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.204 -20.586 19.669 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.367 -19.171 18.534 1.00 0.00 O ATOM 0 H ASP B 3 92.990 -17.794 21.284 1.00 0.00 H new ATOM 0 HA ASP B 3 93.483 -20.512 22.039 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.217 -18.341 20.768 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.742 -20.005 20.931 1.00 0.00 H new ATOM 897 N GLY B 4 95.222 -18.230 23.673 1.00 0.00 N ATOM 898 CA GLY B 4 96.045 -18.059 24.904 1.00 0.00 C ATOM 899 C GLY B 4 95.239 -18.542 26.107 1.00 0.00 C ATOM 900 O GLY B 4 95.755 -19.165 27.014 1.00 0.00 O ATOM 0 H GLY B 4 95.027 -17.372 23.157 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.972 -18.625 24.819 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.321 -17.012 25.031 1.00 0.00 H new ATOM 904 N ILE B 5 93.969 -18.252 26.117 1.00 0.00 N ATOM 905 CA ILE B 5 93.104 -18.681 27.246 1.00 0.00 C ATOM 906 C ILE B 5 92.965 -20.202 27.252 1.00 0.00 C ATOM 907 O ILE B 5 92.951 -20.832 28.290 1.00 0.00 O ATOM 908 CB ILE B 5 91.723 -18.033 27.104 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.849 -16.528 27.366 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.755 -18.655 28.117 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.582 -15.811 26.901 1.00 0.00 C ATOM 0 H ILE B 5 93.490 -17.731 25.383 1.00 0.00 H new ATOM 0 HA ILE B 5 93.558 -18.366 28.186 1.00 0.00 H new ATOM 0 HB ILE B 5 91.340 -18.200 26.097 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.010 -16.347 28.429 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.717 -16.130 26.840 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.774 -18.192 28.014 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.673 -19.726 27.931 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.130 -18.490 29.127 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.679 -14.742 27.090 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.440 -15.979 25.833 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.723 -16.200 27.447 1.00 0.00 H new ATOM 923 N ASP B 6 92.843 -20.796 26.103 1.00 0.00 N ATOM 924 CA ASP B 6 92.672 -22.270 26.052 1.00 0.00 C ATOM 925 C ASP B 6 93.885 -22.957 26.674 1.00 0.00 C ATOM 926 O ASP B 6 93.750 -23.848 27.491 1.00 0.00 O ATOM 927 CB ASP B 6 92.538 -22.701 24.592 1.00 0.00 C ATOM 928 CG ASP B 6 91.203 -22.200 24.038 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.230 -22.247 24.771 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.179 -21.780 22.893 1.00 0.00 O ATOM 0 H ASP B 6 92.854 -20.326 25.198 1.00 0.00 H new ATOM 0 HA ASP B 6 91.779 -22.553 26.610 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.363 -22.298 24.005 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.592 -23.787 24.515 1.00 0.00 H new ATOM 935 N LYS B 7 95.068 -22.551 26.314 1.00 0.00 N ATOM 936 CA LYS B 7 96.277 -23.192 26.905 1.00 0.00 C ATOM 937 C LYS B 7 96.377 -22.813 28.388 1.00 0.00 C ATOM 938 O LYS B 7 96.721 -23.620 29.229 1.00 0.00 O ATOM 939 CB LYS B 7 97.526 -22.695 26.174 1.00 0.00 C ATOM 940 CG LYS B 7 97.559 -23.246 24.746 1.00 0.00 C ATOM 941 CD LYS B 7 98.818 -22.727 24.052 1.00 0.00 C ATOM 942 CE LYS B 7 98.838 -23.178 22.590 1.00 0.00 C ATOM 943 NZ LYS B 7 98.998 -24.657 22.525 1.00 0.00 N ATOM 0 H LYS B 7 95.252 -21.808 25.640 1.00 0.00 H new ATOM 0 HA LYS B 7 96.201 -24.275 26.805 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.533 -21.605 26.151 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.420 -23.008 26.713 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.557 -24.336 24.761 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.669 -22.933 24.199 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.849 -21.639 24.105 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.705 -23.097 24.567 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.914 -22.880 22.094 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.656 -22.690 22.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.248 -24.937 21.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.753 -24.953 23.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.105 -25.115 22.798 1.00 0.00 H new ATOM 957 N ALA B 8 96.083 -21.582 28.708 1.00 0.00 N ATOM 958 CA ALA B 8 96.157 -21.122 30.126 1.00 0.00 C ATOM 959 C ALA B 8 95.037 -21.758 30.960 1.00 0.00 C ATOM 960 O ALA B 8 95.224 -22.081 32.118 1.00 0.00 O ATOM 961 CB ALA B 8 96.032 -19.596 30.171 1.00 0.00 C ATOM 0 H ALA B 8 95.792 -20.867 28.041 1.00 0.00 H new ATOM 0 HA ALA B 8 97.116 -21.427 30.546 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.086 -19.257 31.206 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.845 -19.147 29.599 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.077 -19.296 29.740 1.00 0.00 H new ATOM 967 N GLN B 9 93.867 -21.923 30.392 1.00 0.00 N ATOM 968 CA GLN B 9 92.737 -22.511 31.171 1.00 0.00 C ATOM 969 C GLN B 9 93.109 -23.916 31.640 1.00 0.00 C ATOM 970 O GLN B 9 93.478 -24.775 30.859 1.00 0.00 O ATOM 971 CB GLN B 9 91.490 -22.581 30.283 1.00 0.00 C ATOM 972 CG GLN B 9 90.293 -23.044 31.112 1.00 0.00 C ATOM 973 CD GLN B 9 89.006 -22.895 30.297 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.012 -22.297 29.238 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.895 -23.406 30.755 1.00 0.00 N ATOM 0 H GLN B 9 93.648 -21.677 29.427 1.00 0.00 H new ATOM 0 HA GLN B 9 92.533 -21.885 32.040 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.286 -21.603 29.848 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.659 -23.269 29.455 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.427 -24.084 31.410 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.224 -22.456 32.027 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.892 -23.907 31.643 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.030 -23.304 30.224 1.00 0.00 H new ATOM 984 N GLU B 10 93.014 -24.155 32.921 1.00 0.00 N ATOM 985 CA GLU B 10 93.357 -25.496 33.474 1.00 0.00 C ATOM 986 C GLU B 10 92.529 -25.748 34.737 1.00 0.00 C ATOM 987 O GLU B 10 91.558 -25.067 35.002 1.00 0.00 O ATOM 988 CB GLU B 10 94.849 -25.549 33.818 1.00 0.00 C ATOM 989 CG GLU B 10 95.677 -25.615 32.531 1.00 0.00 C ATOM 990 CD GLU B 10 97.151 -25.831 32.882 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.722 -24.967 33.529 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.687 -26.861 32.502 1.00 0.00 O ATOM 0 H GLU B 10 92.710 -23.471 33.614 1.00 0.00 H new ATOM 0 HA GLU B 10 93.135 -26.263 32.732 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.129 -24.669 34.397 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.057 -26.419 34.440 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.320 -26.427 31.898 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.559 -24.692 31.963 1.00 0.00 H new ATOM 999 N GLU B 11 92.905 -26.726 35.510 1.00 0.00 N ATOM 1000 CA GLU B 11 92.147 -27.040 36.751 1.00 0.00 C ATOM 1001 C GLU B 11 92.363 -25.926 37.784 1.00 0.00 C ATOM 1002 O GLU B 11 93.378 -25.259 37.792 1.00 0.00 O ATOM 1003 CB GLU B 11 92.635 -28.378 37.308 1.00 0.00 C ATOM 1004 CG GLU B 11 92.205 -29.505 36.363 1.00 0.00 C ATOM 1005 CD GLU B 11 92.802 -30.833 36.834 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.935 -31.111 36.478 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.115 -31.548 37.544 1.00 0.00 O ATOM 0 H GLU B 11 93.711 -27.326 35.334 1.00 0.00 H new ATOM 0 HA GLU B 11 91.082 -27.108 36.528 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.720 -28.368 37.411 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.221 -28.544 38.303 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.118 -29.574 36.336 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.536 -29.287 35.348 1.00 0.00 H new ATOM 1014 N HIS B 12 91.405 -25.713 38.645 1.00 0.00 N ATOM 1015 CA HIS B 12 91.540 -24.635 39.668 1.00 0.00 C ATOM 1016 C HIS B 12 92.705 -24.948 40.608 1.00 0.00 C ATOM 1017 O HIS B 12 92.516 -25.331 41.745 1.00 0.00 O ATOM 1018 CB HIS B 12 90.242 -24.534 40.471 1.00 0.00 C ATOM 1019 CG HIS B 12 90.429 -23.598 41.635 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.306 -22.221 41.512 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.720 -23.831 42.955 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.517 -21.682 42.732 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.771 -22.623 43.642 1.00 0.00 N ATOM 0 H HIS B 12 90.533 -26.240 38.685 1.00 0.00 H new ATOM 0 HA HIS B 12 91.735 -23.686 39.168 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.436 -24.175 39.831 1.00 0.00 H new ATOM 0 HB3 HIS B 12 89.949 -25.521 40.830 1.00 0.00 H new ATOM 0 HD2 HIS B 12 90.884 -24.804 43.394 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.484 -20.623 42.944 1.00 0.00 H new ATOM 0 HE2 HIS B 12 90.963 -22.486 44.634 1.00 0.00 H new ATOM 1031 N GLU B 13 93.908 -24.772 40.141 1.00 0.00 N ATOM 1032 CA GLU B 13 95.098 -25.042 40.994 1.00 0.00 C ATOM 1033 C GLU B 13 95.519 -23.755 41.710 1.00 0.00 C ATOM 1034 O GLU B 13 94.819 -22.763 41.701 1.00 0.00 O ATOM 1035 CB GLU B 13 96.253 -25.509 40.112 1.00 0.00 C ATOM 1036 CG GLU B 13 95.883 -26.820 39.414 1.00 0.00 C ATOM 1037 CD GLU B 13 97.051 -27.270 38.537 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.988 -27.840 39.073 1.00 0.00 O ATOM 1039 OE2 GLU B 13 96.994 -27.035 37.339 1.00 0.00 O ATOM 0 H GLU B 13 94.120 -24.450 39.197 1.00 0.00 H new ATOM 0 HA GLU B 13 94.849 -25.809 41.727 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.486 -24.746 39.370 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.149 -25.650 40.717 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.651 -27.587 40.153 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.988 -26.683 38.807 1.00 0.00 H new ATOM 1046 N LYS B 14 96.674 -23.776 42.310 1.00 0.00 N ATOM 1047 CA LYS B 14 97.189 -22.572 43.016 1.00 0.00 C ATOM 1048 C LYS B 14 97.557 -21.493 42.000 1.00 0.00 C ATOM 1049 O LYS B 14 97.562 -20.316 42.303 1.00 0.00 O ATOM 1050 CB LYS B 14 98.431 -22.959 43.814 1.00 0.00 C ATOM 1051 CG LYS B 14 98.034 -23.843 44.994 1.00 0.00 C ATOM 1052 CD LYS B 14 99.289 -24.217 45.776 1.00 0.00 C ATOM 1053 CE LYS B 14 98.918 -25.099 46.965 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.157 -25.481 47.694 1.00 0.00 N ATOM 0 H LYS B 14 97.292 -24.587 42.342 1.00 0.00 H new ATOM 0 HA LYS B 14 96.420 -22.186 43.685 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.136 -23.488 43.173 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.937 -22.063 44.173 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.331 -23.317 45.639 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.530 -24.742 44.639 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.989 -24.743 45.127 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.793 -23.315 46.124 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.239 -24.566 47.631 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.393 -25.991 46.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.911 -26.082 48.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.789 -26.004 47.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.639 -24.624 48.032 1.00 0.00 H new ATOM 1068 N TYR B 15 97.885 -21.883 40.801 1.00 0.00 N ATOM 1069 CA TYR B 15 98.277 -20.883 39.771 1.00 0.00 C ATOM 1070 C TYR B 15 97.133 -19.892 39.542 1.00 0.00 C ATOM 1071 O TYR B 15 97.362 -18.742 39.225 1.00 0.00 O ATOM 1072 CB TYR B 15 98.616 -21.607 38.462 1.00 0.00 C ATOM 1073 CG TYR B 15 100.005 -22.193 38.556 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.192 -23.475 39.086 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.104 -21.449 38.109 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.481 -24.014 39.169 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.391 -21.985 38.193 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.583 -23.268 38.723 1.00 0.00 C ATOM 1079 OH TYR B 15 103.853 -23.797 38.802 1.00 0.00 O ATOM 0 H TYR B 15 97.898 -22.854 40.489 1.00 0.00 H new ATOM 0 HA TYR B 15 99.152 -20.333 40.116 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.889 -22.396 38.272 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.559 -20.912 37.624 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.343 -24.047 39.430 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.956 -20.461 37.699 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.628 -25.004 39.576 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.239 -21.410 37.849 1.00 0.00 H new ATOM 0 HH TYR B 15 104.499 -23.150 38.450 1.00 0.00 H new ATOM 1089 N HIS B 16 95.906 -20.309 39.696 1.00 0.00 N ATOM 1090 CA HIS B 16 94.788 -19.349 39.474 1.00 0.00 C ATOM 1091 C HIS B 16 94.917 -18.184 40.463 1.00 0.00 C ATOM 1092 O HIS B 16 94.680 -17.044 40.117 1.00 0.00 O ATOM 1093 CB HIS B 16 93.437 -20.051 39.688 1.00 0.00 C ATOM 1094 CG HIS B 16 93.091 -20.882 38.482 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.825 -21.426 38.291 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.837 -21.280 37.401 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.853 -22.113 37.134 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.054 -22.056 36.555 1.00 0.00 N ATOM 0 H HIS B 16 95.632 -21.255 39.961 1.00 0.00 H new ATOM 0 HA HIS B 16 94.837 -18.975 38.451 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.483 -20.684 40.574 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.657 -19.310 39.865 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.874 -21.029 37.233 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.007 -22.645 36.724 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.337 -22.490 35.677 1.00 0.00 H new ATOM 1106 N SER B 17 95.292 -18.453 41.686 1.00 0.00 N ATOM 1107 CA SER B 17 95.431 -17.347 42.677 1.00 0.00 C ATOM 1108 C SER B 17 96.539 -16.393 42.221 1.00 0.00 C ATOM 1109 O SER B 17 96.414 -15.189 42.321 1.00 0.00 O ATOM 1110 CB SER B 17 95.787 -17.932 44.047 1.00 0.00 C ATOM 1111 OG SER B 17 97.082 -18.512 43.992 1.00 0.00 O ATOM 0 H SER B 17 95.507 -19.385 42.040 1.00 0.00 H new ATOM 0 HA SER B 17 94.490 -16.801 42.751 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.759 -17.151 44.806 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.052 -18.684 44.335 1.00 0.00 H new ATOM 0 HG SER B 17 97.124 -19.148 43.247 1.00 0.00 H new ATOM 1117 N ASN B 18 97.616 -16.925 41.704 1.00 0.00 N ATOM 1118 CA ASN B 18 98.731 -16.058 41.222 1.00 0.00 C ATOM 1119 C ASN B 18 98.521 -15.745 39.734 1.00 0.00 C ATOM 1120 O ASN B 18 99.074 -16.398 38.872 1.00 0.00 O ATOM 1121 CB ASN B 18 100.059 -16.798 41.404 1.00 0.00 C ATOM 1122 CG ASN B 18 100.421 -16.849 42.892 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.593 -17.913 43.453 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.549 -15.736 43.557 1.00 0.00 N ATOM 0 H ASN B 18 97.771 -17.927 41.595 1.00 0.00 H new ATOM 0 HA ASN B 18 98.749 -15.129 41.792 1.00 0.00 H new ATOM 0 HB2 ASN B 18 99.981 -17.809 41.004 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.847 -16.294 40.845 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.793 -15.759 44.547 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.405 -14.842 43.088 1.00 0.00 H new ATOM 1131 N TRP B 19 97.721 -14.757 39.425 1.00 0.00 N ATOM 1132 CA TRP B 19 97.480 -14.406 37.994 1.00 0.00 C ATOM 1133 C TRP B 19 98.741 -13.780 37.392 1.00 0.00 C ATOM 1134 O TRP B 19 98.957 -13.827 36.198 1.00 0.00 O ATOM 1135 CB TRP B 19 96.299 -13.433 37.879 1.00 0.00 C ATOM 1136 CG TRP B 19 96.678 -12.100 38.443 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.339 -11.657 39.675 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.464 -11.038 37.826 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.866 -10.390 39.852 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.567 -9.967 38.744 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.093 -10.900 36.573 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.268 -8.802 38.434 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.798 -9.728 36.260 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.885 -8.682 37.189 1.00 0.00 C ATOM 0 H TRP B 19 97.224 -14.178 40.102 1.00 0.00 H new ATOM 0 HA TRP B 19 97.238 -15.314 37.443 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.006 -13.325 36.835 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.436 -13.831 38.413 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.754 -12.202 40.401 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.750 -9.836 40.700 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.032 -11.700 35.850 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.333 -7.999 39.153 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.277 -9.631 35.297 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.430 -7.783 36.941 1.00 0.00 H new ATOM 1155 N ARG B 20 99.562 -13.176 38.206 1.00 0.00 N ATOM 1156 CA ARG B 20 100.796 -12.532 37.678 1.00 0.00 C ATOM 1157 C ARG B 20 101.676 -13.587 36.999 1.00 0.00 C ATOM 1158 O ARG B 20 102.252 -13.348 35.956 1.00 0.00 O ATOM 1159 CB ARG B 20 101.569 -11.900 38.841 1.00 0.00 C ATOM 1160 CG ARG B 20 100.779 -10.714 39.405 1.00 0.00 C ATOM 1161 CD ARG B 20 101.555 -10.093 40.567 1.00 0.00 C ATOM 1162 NE ARG B 20 100.696 -9.091 41.255 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.027 -8.650 42.438 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.061 -9.151 43.057 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.309 -7.725 43.013 1.00 0.00 N ATOM 0 H ARG B 20 99.431 -13.101 39.215 1.00 0.00 H new ATOM 0 HA ARG B 20 100.526 -11.765 36.952 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.738 -12.641 39.622 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.549 -11.567 38.500 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.613 -9.970 38.626 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.798 -11.045 39.744 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.862 -10.868 41.269 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.464 -9.618 40.199 1.00 0.00 H new ATOM 0 HE ARG B 20 99.849 -8.749 40.802 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.611 -9.888 42.616 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.319 -8.806 43.981 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.489 -7.347 42.538 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.567 -7.380 43.938 1.00 0.00 H new ATOM 1179 N ALA B 21 101.778 -14.758 37.576 1.00 0.00 N ATOM 1180 CA ALA B 21 102.619 -15.830 36.956 1.00 0.00 C ATOM 1181 C ALA B 21 102.050 -16.180 35.582 1.00 0.00 C ATOM 1182 O ALA B 21 102.777 -16.368 34.625 1.00 0.00 O ATOM 1183 CB ALA B 21 102.606 -17.086 37.838 1.00 0.00 C ATOM 0 H ALA B 21 101.317 -15.019 38.448 1.00 0.00 H new ATOM 0 HA ALA B 21 103.643 -15.470 36.859 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.221 -17.860 37.378 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.005 -16.843 38.823 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.583 -17.448 37.940 1.00 0.00 H new ATOM 1189 N MET B 22 100.753 -16.267 35.481 1.00 0.00 N ATOM 1190 CA MET B 22 100.122 -16.602 34.172 1.00 0.00 C ATOM 1191 C MET B 22 100.465 -15.518 33.157 1.00 0.00 C ATOM 1192 O MET B 22 100.860 -15.796 32.043 1.00 0.00 O ATOM 1193 CB MET B 22 98.607 -16.657 34.348 1.00 0.00 C ATOM 1194 CG MET B 22 97.951 -17.225 33.090 1.00 0.00 C ATOM 1195 SD MET B 22 96.161 -16.985 33.200 1.00 0.00 S ATOM 1196 CE MET B 22 95.896 -17.963 34.698 1.00 0.00 C ATOM 0 H MET B 22 100.100 -16.120 36.251 1.00 0.00 H new ATOM 0 HA MET B 22 100.491 -17.566 33.822 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.356 -17.276 35.209 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.220 -15.658 34.550 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.344 -16.728 32.203 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.183 -18.285 32.990 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.874 -18.342 34.709 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.594 -18.800 34.714 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.060 -17.337 35.575 1.00 0.00 H new ATOM 1206 N ALA B 23 100.317 -14.279 33.531 1.00 0.00 N ATOM 1207 CA ALA B 23 100.638 -13.189 32.576 1.00 0.00 C ATOM 1208 C ALA B 23 102.127 -13.249 32.240 1.00 0.00 C ATOM 1209 O ALA B 23 102.519 -13.073 31.107 1.00 0.00 O ATOM 1210 CB ALA B 23 100.288 -11.834 33.200 1.00 0.00 C ATOM 0 H ALA B 23 99.990 -13.977 34.449 1.00 0.00 H new ATOM 0 HA ALA B 23 100.055 -13.311 31.663 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.525 -11.037 32.496 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.224 -11.806 33.435 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.865 -11.694 34.114 1.00 0.00 H new ATOM 1216 N SER B 24 102.958 -13.507 33.214 1.00 0.00 N ATOM 1217 CA SER B 24 104.424 -13.586 32.945 1.00 0.00 C ATOM 1218 C SER B 24 104.726 -14.810 32.073 1.00 0.00 C ATOM 1219 O SER B 24 105.536 -14.755 31.170 1.00 0.00 O ATOM 1220 CB SER B 24 105.177 -13.707 34.275 1.00 0.00 C ATOM 1221 OG SER B 24 106.574 -13.770 34.025 1.00 0.00 O ATOM 0 H SER B 24 102.686 -13.666 34.184 1.00 0.00 H new ATOM 0 HA SER B 24 104.745 -12.685 32.422 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.949 -12.853 34.913 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.852 -14.600 34.809 1.00 0.00 H new ATOM 0 HG SER B 24 107.055 -13.846 34.875 1.00 0.00 H new ATOM 1227 N ASP B 25 104.084 -15.914 32.335 1.00 0.00 N ATOM 1228 CA ASP B 25 104.345 -17.138 31.522 1.00 0.00 C ATOM 1229 C ASP B 25 103.961 -16.901 30.057 1.00 0.00 C ATOM 1230 O ASP B 25 104.650 -17.333 29.151 1.00 0.00 O ATOM 1231 CB ASP B 25 103.515 -18.294 32.075 1.00 0.00 C ATOM 1232 CG ASP B 25 104.091 -18.725 33.421 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.102 -18.166 33.814 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.517 -19.607 34.038 1.00 0.00 O ATOM 0 H ASP B 25 103.391 -16.023 33.075 1.00 0.00 H new ATOM 0 HA ASP B 25 105.407 -17.377 31.575 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.475 -17.988 32.192 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.524 -19.131 31.377 1.00 0.00 H new ATOM 1239 N PHE B 26 102.869 -16.221 29.813 1.00 0.00 N ATOM 1240 CA PHE B 26 102.437 -15.960 28.398 1.00 0.00 C ATOM 1241 C PHE B 26 102.766 -14.518 28.007 1.00 0.00 C ATOM 1242 O PHE B 26 102.576 -14.112 26.877 1.00 0.00 O ATOM 1243 CB PHE B 26 100.929 -16.189 28.280 1.00 0.00 C ATOM 1244 CG PHE B 26 100.645 -17.667 28.363 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.731 -18.456 27.210 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.311 -18.252 29.590 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.481 -19.831 27.283 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.063 -19.628 29.662 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.147 -20.417 28.510 1.00 0.00 C ATOM 0 H PHE B 26 102.255 -15.834 30.530 1.00 0.00 H new ATOM 0 HA PHE B 26 102.967 -16.639 27.730 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.405 -15.660 29.077 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.561 -15.788 27.336 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.990 -18.004 26.264 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.245 -17.643 30.479 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.546 -20.440 26.393 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.806 -20.081 30.608 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.954 -21.478 28.567 1.00 0.00 H new ATOM 1259 N ASN B 27 103.268 -13.748 28.930 1.00 0.00 N ATOM 1260 CA ASN B 27 103.628 -12.329 28.633 1.00 0.00 C ATOM 1261 C ASN B 27 102.438 -11.587 28.027 1.00 0.00 C ATOM 1262 O ASN B 27 102.569 -10.934 27.010 1.00 0.00 O ATOM 1263 CB ASN B 27 104.796 -12.278 27.644 1.00 0.00 C ATOM 1264 CG ASN B 27 106.066 -12.793 28.322 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.153 -12.828 29.532 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.070 -13.182 27.583 1.00 0.00 N ATOM 0 H ASN B 27 103.447 -14.042 29.890 1.00 0.00 H new ATOM 0 HA ASN B 27 103.914 -11.851 29.570 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.569 -12.884 26.766 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.946 -11.256 27.296 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.928 -13.515 28.023 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.996 -13.152 26.566 1.00 0.00 H new ATOM 1273 N LEU B 28 101.282 -11.670 28.638 1.00 0.00 N ATOM 1274 CA LEU B 28 100.080 -10.955 28.095 1.00 0.00 C ATOM 1275 C LEU B 28 99.592 -9.924 29.122 1.00 0.00 C ATOM 1276 O LEU B 28 99.725 -10.135 30.310 1.00 0.00 O ATOM 1277 CB LEU B 28 98.955 -11.967 27.875 1.00 0.00 C ATOM 1278 CG LEU B 28 99.358 -12.991 26.806 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.479 -14.233 26.947 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.163 -12.404 25.401 1.00 0.00 C ATOM 0 H LEU B 28 101.116 -12.203 29.492 1.00 0.00 H new ATOM 0 HA LEU B 28 100.346 -10.463 27.160 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.729 -12.478 28.811 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.046 -11.449 27.567 1.00 0.00 H new ATOM 0 HG LEU B 28 100.408 -13.249 26.943 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.760 -14.965 26.190 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.616 -14.665 27.938 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.433 -13.956 26.813 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.453 -13.143 24.654 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.115 -12.138 25.260 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.782 -11.513 25.290 1.00 0.00 H new ATOM 1292 N PRO B 29 99.001 -8.826 28.690 1.00 0.00 N ATOM 1293 CA PRO B 29 98.472 -7.808 29.641 1.00 0.00 C ATOM 1294 C PRO B 29 97.626 -8.471 30.754 1.00 0.00 C ATOM 1295 O PRO B 29 96.861 -9.374 30.476 1.00 0.00 O ATOM 1296 CB PRO B 29 97.574 -6.914 28.766 1.00 0.00 C ATOM 1297 CG PRO B 29 98.101 -7.050 27.369 1.00 0.00 C ATOM 1298 CD PRO B 29 98.786 -8.425 27.280 1.00 0.00 C ATOM 0 HA PRO B 29 99.270 -7.261 30.143 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.532 -7.230 28.824 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.611 -5.877 29.099 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.292 -6.974 26.642 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.808 -6.251 27.144 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.161 -9.146 26.753 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.729 -8.364 26.737 1.00 0.00 H new ATOM 1306 N PRO B 30 97.727 -8.033 31.995 1.00 0.00 N ATOM 1307 CA PRO B 30 96.911 -8.622 33.098 1.00 0.00 C ATOM 1308 C PRO B 30 95.447 -8.808 32.678 1.00 0.00 C ATOM 1309 O PRO B 30 94.679 -9.483 33.332 1.00 0.00 O ATOM 1310 CB PRO B 30 97.021 -7.582 34.223 1.00 0.00 C ATOM 1311 CG PRO B 30 98.340 -6.909 34.000 1.00 0.00 C ATOM 1312 CD PRO B 30 98.610 -6.955 32.486 1.00 0.00 C ATOM 0 HA PRO B 30 97.261 -9.612 33.390 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.200 -6.866 34.180 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.980 -8.056 35.204 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.314 -5.880 34.357 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.132 -7.418 34.550 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.378 -6.002 32.011 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.657 -7.170 32.274 1.00 0.00 H new ATOM 1320 N VAL B 31 95.054 -8.182 31.606 1.00 0.00 N ATOM 1321 CA VAL B 31 93.640 -8.291 31.154 1.00 0.00 C ATOM 1322 C VAL B 31 93.270 -9.745 30.863 1.00 0.00 C ATOM 1323 O VAL B 31 92.256 -10.237 31.315 1.00 0.00 O ATOM 1324 CB VAL B 31 93.463 -7.448 29.881 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.083 -7.691 29.253 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.610 -5.965 30.236 1.00 0.00 C ATOM 0 H VAL B 31 95.652 -7.598 31.022 1.00 0.00 H new ATOM 0 HA VAL B 31 92.984 -7.926 31.945 1.00 0.00 H new ATOM 0 HB VAL B 31 94.226 -7.738 29.159 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.981 -7.084 28.354 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.982 -8.745 28.993 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.305 -7.417 29.966 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.485 -5.362 29.337 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.850 -5.689 30.967 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.600 -5.788 30.657 1.00 0.00 H new ATOM 1336 N VAL B 32 94.062 -10.432 30.091 1.00 0.00 N ATOM 1337 CA VAL B 32 93.715 -11.845 29.760 1.00 0.00 C ATOM 1338 C VAL B 32 93.750 -12.699 31.026 1.00 0.00 C ATOM 1339 O VAL B 32 92.862 -13.487 31.282 1.00 0.00 O ATOM 1340 CB VAL B 32 94.710 -12.383 28.724 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.515 -13.890 28.539 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.479 -11.667 27.390 1.00 0.00 C ATOM 0 H VAL B 32 94.927 -10.083 29.677 1.00 0.00 H new ATOM 0 HA VAL B 32 92.709 -11.886 29.343 1.00 0.00 H new ATOM 0 HB VAL B 32 95.727 -12.201 29.071 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.227 -14.261 27.801 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.680 -14.398 29.489 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.500 -14.086 28.194 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.183 -12.044 26.648 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.460 -11.851 27.050 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.630 -10.595 27.521 1.00 0.00 H new ATOM 1352 N ALA B 33 94.766 -12.549 31.821 1.00 0.00 N ATOM 1353 CA ALA B 33 94.853 -13.352 33.070 1.00 0.00 C ATOM 1354 C ALA B 33 93.699 -12.990 34.010 1.00 0.00 C ATOM 1355 O ALA B 33 93.087 -13.849 34.608 1.00 0.00 O ATOM 1356 CB ALA B 33 96.192 -13.074 33.758 1.00 0.00 C ATOM 0 H ALA B 33 95.541 -11.906 31.662 1.00 0.00 H new ATOM 0 HA ALA B 33 94.784 -14.411 32.823 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.259 -13.661 34.674 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.008 -13.349 33.090 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.263 -12.014 34.001 1.00 0.00 H new ATOM 1362 N LYS B 34 93.395 -11.724 34.151 1.00 0.00 N ATOM 1363 CA LYS B 34 92.285 -11.333 35.067 1.00 0.00 C ATOM 1364 C LYS B 34 90.966 -11.925 34.558 1.00 0.00 C ATOM 1365 O LYS B 34 90.148 -12.386 35.331 1.00 0.00 O ATOM 1366 CB LYS B 34 92.186 -9.801 35.137 1.00 0.00 C ATOM 1367 CG LYS B 34 93.396 -9.219 35.893 1.00 0.00 C ATOM 1368 CD LYS B 34 93.190 -9.323 37.413 1.00 0.00 C ATOM 1369 CE LYS B 34 94.296 -8.541 38.128 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.075 -8.617 39.601 1.00 0.00 N ATOM 0 H LYS B 34 93.863 -10.952 33.676 1.00 0.00 H new ATOM 0 HA LYS B 34 92.485 -11.720 36.066 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.145 -9.386 34.130 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.262 -9.512 35.639 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.301 -9.754 35.607 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.539 -8.176 35.611 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.213 -8.926 37.687 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.208 -10.368 37.723 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.272 -8.953 37.873 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.293 -7.501 37.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.050 -7.656 39.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.171 -9.094 39.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.850 -9.154 40.041 1.00 0.00 H new ATOM 1384 N GLU B 35 90.747 -11.923 33.265 1.00 0.00 N ATOM 1385 CA GLU B 35 89.471 -12.488 32.729 1.00 0.00 C ATOM 1386 C GLU B 35 89.377 -13.980 33.073 1.00 0.00 C ATOM 1387 O GLU B 35 88.322 -14.476 33.425 1.00 0.00 O ATOM 1388 CB GLU B 35 89.423 -12.300 31.207 1.00 0.00 C ATOM 1389 CG GLU B 35 87.981 -12.469 30.702 1.00 0.00 C ATOM 1390 CD GLU B 35 87.563 -13.936 30.809 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.434 -14.788 30.766 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.374 -14.182 30.934 1.00 0.00 O ATOM 0 H GLU B 35 91.391 -11.558 32.564 1.00 0.00 H new ATOM 0 HA GLU B 35 88.629 -11.965 33.182 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.796 -11.311 30.943 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.075 -13.027 30.722 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.306 -11.845 31.288 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.907 -12.135 29.667 1.00 0.00 H new ATOM 1399 N ILE B 36 90.467 -14.704 32.982 1.00 0.00 N ATOM 1400 CA ILE B 36 90.425 -16.162 33.307 1.00 0.00 C ATOM 1401 C ILE B 36 90.043 -16.345 34.777 1.00 0.00 C ATOM 1402 O ILE B 36 89.257 -17.208 35.121 1.00 0.00 O ATOM 1403 CB ILE B 36 91.803 -16.783 33.052 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.070 -16.818 31.545 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.848 -18.212 33.606 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.543 -17.155 31.298 1.00 0.00 C ATOM 0 H ILE B 36 91.380 -14.349 32.698 1.00 0.00 H new ATOM 0 HA ILE B 36 89.685 -16.655 32.676 1.00 0.00 H new ATOM 0 HB ILE B 36 92.563 -16.182 33.551 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.431 -17.561 31.068 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.826 -15.854 31.099 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.831 -18.644 33.419 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.658 -18.192 34.679 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.087 -18.817 33.114 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.736 -17.181 30.225 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.173 -16.396 31.762 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.771 -18.129 31.731 1.00 0.00 H new ATOM 1418 N VAL B 37 90.585 -15.536 35.646 1.00 0.00 N ATOM 1419 CA VAL B 37 90.241 -15.658 37.089 1.00 0.00 C ATOM 1420 C VAL B 37 88.749 -15.352 37.247 1.00 0.00 C ATOM 1421 O VAL B 37 88.045 -15.990 38.004 1.00 0.00 O ATOM 1422 CB VAL B 37 91.074 -14.654 37.902 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.723 -14.743 39.393 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.561 -14.965 37.721 1.00 0.00 C ATOM 0 H VAL B 37 91.250 -14.797 35.418 1.00 0.00 H new ATOM 0 HA VAL B 37 90.457 -16.663 37.452 1.00 0.00 H new ATOM 0 HB VAL B 37 90.853 -13.648 37.545 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.323 -14.025 39.952 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.666 -14.518 39.532 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.931 -15.749 39.756 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.154 -14.254 38.297 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.766 -15.977 38.071 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.823 -14.886 36.666 1.00 0.00 H new ATOM 1434 N ALA B 38 88.273 -14.374 36.529 1.00 0.00 N ATOM 1435 CA ALA B 38 86.834 -14.002 36.611 1.00 0.00 C ATOM 1436 C ALA B 38 85.982 -15.122 36.013 1.00 0.00 C ATOM 1437 O ALA B 38 84.859 -15.346 36.417 1.00 0.00 O ATOM 1438 CB ALA B 38 86.599 -12.715 35.814 1.00 0.00 C ATOM 0 H ALA B 38 88.825 -13.811 35.882 1.00 0.00 H new ATOM 0 HA ALA B 38 86.558 -13.848 37.654 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.546 -12.439 35.871 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.208 -11.913 36.231 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.876 -12.877 34.772 1.00 0.00 H new ATOM 1444 N SER B 39 86.508 -15.815 35.045 1.00 0.00 N ATOM 1445 CA SER B 39 85.737 -16.914 34.400 1.00 0.00 C ATOM 1446 C SER B 39 85.591 -18.084 35.372 1.00 0.00 C ATOM 1447 O SER B 39 84.555 -18.714 35.448 1.00 0.00 O ATOM 1448 CB SER B 39 86.474 -17.377 33.144 1.00 0.00 C ATOM 1449 OG SER B 39 86.341 -16.389 32.133 1.00 0.00 O ATOM 0 H SER B 39 87.445 -15.667 34.670 1.00 0.00 H new ATOM 0 HA SER B 39 84.745 -16.551 34.129 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.527 -17.546 33.368 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.065 -18.326 32.797 1.00 0.00 H new ATOM 0 HG SER B 39 86.312 -15.501 32.546 1.00 0.00 H new ATOM 1455 N CYS B 40 86.611 -18.384 36.119 1.00 0.00 N ATOM 1456 CA CYS B 40 86.512 -19.512 37.082 1.00 0.00 C ATOM 1457 C CYS B 40 85.610 -19.085 38.248 1.00 0.00 C ATOM 1458 O CYS B 40 85.938 -18.197 39.011 1.00 0.00 O ATOM 1459 CB CYS B 40 87.912 -19.858 37.589 1.00 0.00 C ATOM 1460 SG CYS B 40 87.810 -21.157 38.847 1.00 0.00 S ATOM 0 H CYS B 40 87.508 -17.899 36.106 1.00 0.00 H new ATOM 0 HA CYS B 40 86.084 -20.391 36.601 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.536 -20.191 36.760 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.386 -18.970 38.008 1.00 0.00 H new ATOM 1465 N ASP B 41 84.457 -19.697 38.366 1.00 0.00 N ATOM 1466 CA ASP B 41 83.506 -19.317 39.454 1.00 0.00 C ATOM 1467 C ASP B 41 84.140 -19.520 40.829 1.00 0.00 C ATOM 1468 O ASP B 41 83.958 -18.723 41.727 1.00 0.00 O ATOM 1469 CB ASP B 41 82.250 -20.186 39.353 1.00 0.00 C ATOM 1470 CG ASP B 41 81.448 -19.791 38.112 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.396 -18.610 37.814 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.896 -20.679 37.482 1.00 0.00 O ATOM 0 H ASP B 41 84.134 -20.446 37.753 1.00 0.00 H new ATOM 0 HA ASP B 41 83.251 -18.264 39.337 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.528 -21.239 39.298 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.639 -20.064 40.247 1.00 0.00 H new ATOM 1477 N LYS B 42 84.873 -20.576 41.010 1.00 0.00 N ATOM 1478 CA LYS B 42 85.495 -20.818 42.342 1.00 0.00 C ATOM 1479 C LYS B 42 86.435 -19.668 42.690 1.00 0.00 C ATOM 1480 O LYS B 42 86.516 -19.246 43.827 1.00 0.00 O ATOM 1481 CB LYS B 42 86.292 -22.118 42.314 1.00 0.00 C ATOM 1482 CG LYS B 42 85.318 -23.293 42.214 1.00 0.00 C ATOM 1483 CD LYS B 42 86.073 -24.630 42.254 1.00 0.00 C ATOM 1484 CE LYS B 42 86.631 -24.965 40.868 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.501 -25.235 39.939 1.00 0.00 N ATOM 0 H LYS B 42 85.070 -21.281 40.300 1.00 0.00 H new ATOM 0 HA LYS B 42 84.706 -20.888 43.091 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.977 -22.122 41.466 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.900 -22.207 43.215 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.602 -23.249 43.035 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.746 -23.220 41.289 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.886 -24.575 42.978 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.404 -25.424 42.586 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.234 -24.137 40.496 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.285 -25.835 40.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.822 -25.863 39.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.725 -25.692 40.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.164 -24.339 39.532 1.00 0.00 H new ATOM 1499 N CYS B 43 87.165 -19.168 41.734 1.00 0.00 N ATOM 1500 CA CYS B 43 88.110 -18.059 42.037 1.00 0.00 C ATOM 1501 C CYS B 43 87.341 -16.757 42.256 1.00 0.00 C ATOM 1502 O CYS B 43 87.733 -15.918 43.040 1.00 0.00 O ATOM 1503 CB CYS B 43 89.065 -17.853 40.861 1.00 0.00 C ATOM 1504 SG CYS B 43 90.148 -19.287 40.687 1.00 0.00 S ATOM 0 H CYS B 43 87.149 -19.477 40.762 1.00 0.00 H new ATOM 0 HA CYS B 43 88.667 -18.321 42.937 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.497 -17.702 39.943 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.661 -16.954 41.019 1.00 0.00 H new ATOM 1509 N GLN B 44 86.265 -16.569 41.541 1.00 0.00 N ATOM 1510 CA GLN B 44 85.488 -15.304 41.679 1.00 0.00 C ATOM 1511 C GLN B 44 84.596 -15.354 42.921 1.00 0.00 C ATOM 1512 O GLN B 44 84.841 -14.677 43.901 1.00 0.00 O ATOM 1513 CB GLN B 44 84.611 -15.141 40.435 1.00 0.00 C ATOM 1514 CG GLN B 44 83.953 -13.761 40.435 1.00 0.00 C ATOM 1515 CD GLN B 44 83.050 -13.627 39.202 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.871 -13.369 39.329 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.552 -13.807 38.008 1.00 0.00 N ATOM 0 H GLN B 44 85.890 -17.237 40.867 1.00 0.00 H new ATOM 0 HA GLN B 44 86.176 -14.465 41.780 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.215 -15.265 39.536 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.846 -15.917 40.415 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.368 -13.625 41.344 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.716 -12.982 40.427 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.543 -14.024 37.899 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.953 -13.730 37.186 1.00 0.00 H new ATOM 1526 N LEU B 45 83.558 -16.141 42.887 1.00 0.00 N ATOM 1527 CA LEU B 45 82.649 -16.218 44.066 1.00 0.00 C ATOM 1528 C LEU B 45 83.278 -17.109 45.145 1.00 0.00 C ATOM 1529 O LEU B 45 83.709 -18.213 44.877 1.00 0.00 O ATOM 1530 CB LEU B 45 81.301 -16.804 43.642 1.00 0.00 C ATOM 1531 CG LEU B 45 80.733 -16.030 42.445 1.00 0.00 C ATOM 1532 CD1 LEU B 45 79.386 -16.644 42.055 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.539 -14.550 42.810 1.00 0.00 C ATOM 0 H LEU B 45 83.299 -16.733 42.097 1.00 0.00 H new ATOM 0 HA LEU B 45 82.497 -15.216 44.467 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.421 -17.855 43.380 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.600 -16.762 44.476 1.00 0.00 H new ATOM 0 HG LEU B 45 81.430 -16.093 41.609 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.972 -16.102 41.205 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.528 -17.690 41.784 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.698 -16.577 42.898 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.136 -14.013 41.951 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.845 -14.470 43.647 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.498 -14.116 43.091 1.00 0.00 H new ATOM 1545 N LYS B 46 83.325 -16.644 46.370 1.00 0.00 N ATOM 1546 CA LYS B 46 83.915 -17.466 47.472 1.00 0.00 C ATOM 1547 C LYS B 46 82.813 -18.339 48.093 1.00 0.00 C ATOM 1548 O LYS B 46 83.076 -19.211 48.900 1.00 0.00 O ATOM 1549 CB LYS B 46 84.508 -16.536 48.539 1.00 0.00 C ATOM 1550 CG LYS B 46 85.738 -15.818 47.966 1.00 0.00 C ATOM 1551 CD LYS B 46 86.336 -14.889 49.026 1.00 0.00 C ATOM 1552 CE LYS B 46 87.559 -14.173 48.448 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.695 -15.134 48.347 1.00 0.00 N ATOM 0 H LYS B 46 82.979 -15.728 46.654 1.00 0.00 H new ATOM 0 HA LYS B 46 84.704 -18.106 47.077 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.763 -15.806 48.856 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.788 -17.110 49.422 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.482 -16.549 47.648 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.457 -15.244 47.083 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.592 -14.159 49.346 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.621 -15.462 49.908 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.324 -13.766 47.464 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.836 -13.332 49.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.576 -14.612 48.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.782 -15.664 49.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.520 -15.797 47.565 1.00 0.00 H new ATOM 1567 N GLY B 47 81.579 -18.118 47.711 1.00 0.00 N ATOM 1568 CA GLY B 47 80.455 -18.941 48.261 1.00 0.00 C ATOM 1569 C GLY B 47 80.158 -18.540 49.710 1.00 0.00 C ATOM 1570 O GLY B 47 79.596 -19.304 50.473 1.00 0.00 O ATOM 0 H GLY B 47 81.300 -17.402 47.040 1.00 0.00 H new ATOM 0 HA2 GLY B 47 79.563 -18.805 47.649 1.00 0.00 H new ATOM 0 HA3 GLY B 47 80.714 -19.999 48.216 1.00 0.00 H new ATOM 1574 N GLU B 48 80.535 -17.354 50.101 1.00 0.00 N ATOM 1575 CA GLU B 48 80.285 -16.909 51.501 1.00 0.00 C ATOM 1576 C GLU B 48 78.839 -16.399 51.646 1.00 0.00 C ATOM 1577 O GLU B 48 78.351 -15.628 50.842 1.00 0.00 O ATOM 1578 CB GLU B 48 81.279 -15.791 51.844 1.00 0.00 C ATOM 1579 CG GLU B 48 80.976 -14.551 50.994 1.00 0.00 C ATOM 1580 CD GLU B 48 82.117 -13.536 51.132 1.00 0.00 C ATOM 1581 OE1 GLU B 48 83.263 -13.944 51.038 1.00 0.00 O ATOM 1582 OE2 GLU B 48 81.822 -12.366 51.311 1.00 0.00 O ATOM 0 H GLU B 48 81.007 -16.671 49.509 1.00 0.00 H new ATOM 0 HA GLU B 48 80.421 -17.746 52.185 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.211 -15.543 52.903 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.299 -16.129 51.661 1.00 0.00 H new ATOM 0 HG2 GLU B 48 80.855 -14.836 49.949 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.036 -14.101 51.313 1.00 0.00 H new ATOM 1589 N ALA B 49 78.156 -16.829 52.679 1.00 0.00 N ATOM 1590 CA ALA B 49 76.747 -16.382 52.910 1.00 0.00 C ATOM 1591 C ALA B 49 76.331 -16.818 54.318 1.00 0.00 C ATOM 1592 O ALA B 49 76.416 -17.981 54.663 1.00 0.00 O ATOM 1593 CB ALA B 49 75.812 -17.022 51.875 1.00 0.00 C ATOM 0 H ALA B 49 78.518 -17.477 53.379 1.00 0.00 H new ATOM 0 HA ALA B 49 76.681 -15.298 52.812 1.00 0.00 H new ATOM 0 HB1 ALA B 49 74.790 -16.689 52.053 1.00 0.00 H new ATOM 0 HB2 ALA B 49 76.121 -16.725 50.873 1.00 0.00 H new ATOM 0 HB3 ALA B 49 75.861 -18.107 51.963 1.00 0.00 H new ATOM 1599 N MET B 50 75.892 -15.902 55.146 1.00 0.00 N ATOM 1600 CA MET B 50 75.488 -16.284 56.536 1.00 0.00 C ATOM 1601 C MET B 50 73.982 -16.540 56.579 1.00 0.00 C ATOM 1602 O MET B 50 73.196 -15.670 56.294 1.00 0.00 O ATOM 1603 CB MET B 50 75.831 -15.143 57.498 1.00 0.00 C ATOM 1604 CG MET B 50 77.341 -14.899 57.495 1.00 0.00 C ATOM 1605 SD MET B 50 77.734 -13.552 58.639 1.00 0.00 S ATOM 1606 CE MET B 50 79.531 -13.638 58.466 1.00 0.00 C ATOM 0 H MET B 50 75.796 -14.912 54.922 1.00 0.00 H new ATOM 0 HA MET B 50 76.021 -17.188 56.831 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.306 -14.235 57.201 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.495 -15.391 58.505 1.00 0.00 H new ATOM 0 HG2 MET B 50 77.868 -15.807 57.790 1.00 0.00 H new ATOM 0 HG3 MET B 50 77.678 -14.647 56.489 1.00 0.00 H new ATOM 0 HE1 MET B 50 79.994 -12.879 59.097 1.00 0.00 H new ATOM 0 HE2 MET B 50 79.879 -14.625 58.770 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.805 -13.462 57.426 1.00 0.00 H new ATOM 1616 N HIS B 51 73.573 -17.724 56.939 1.00 0.00 N ATOM 1617 CA HIS B 51 72.109 -18.014 57.002 1.00 0.00 C ATOM 1618 C HIS B 51 71.884 -19.397 57.628 1.00 0.00 C ATOM 1619 O HIS B 51 72.741 -20.257 57.574 1.00 0.00 O ATOM 1620 CB HIS B 51 71.524 -17.990 55.587 1.00 0.00 C ATOM 1621 CG HIS B 51 70.030 -18.112 55.657 1.00 0.00 C ATOM 1622 ND1 HIS B 51 69.386 -19.340 55.597 1.00 0.00 N ATOM 1623 CD2 HIS B 51 69.034 -17.170 55.773 1.00 0.00 C ATOM 1624 CE1 HIS B 51 68.063 -19.109 55.676 1.00 0.00 C ATOM 1625 NE2 HIS B 51 67.799 -17.806 55.786 1.00 0.00 N ATOM 0 H HIS B 51 74.183 -18.501 57.192 1.00 0.00 H new ATOM 0 HA HIS B 51 71.615 -17.258 57.613 1.00 0.00 H new ATOM 0 HB2 HIS B 51 71.800 -17.063 55.084 1.00 0.00 H new ATOM 0 HB3 HIS B 51 71.938 -18.808 54.997 1.00 0.00 H new ATOM 0 HD2 HIS B 51 69.188 -16.103 55.843 1.00 0.00 H new ATOM 0 HE1 HIS B 51 67.309 -19.882 55.653 1.00 0.00 H new ATOM 0 HE2 HIS B 51 66.881 -17.368 55.864 1.00 0.00 H new ATOM 1633 N GLY B 52 70.734 -19.619 58.216 1.00 0.00 N ATOM 1634 CA GLY B 52 70.440 -20.951 58.843 1.00 0.00 C ATOM 1635 C GLY B 52 70.481 -20.808 60.367 1.00 0.00 C ATOM 1636 O GLY B 52 69.578 -20.267 60.972 1.00 0.00 O ATOM 0 H GLY B 52 69.982 -18.934 58.290 1.00 0.00 H new ATOM 0 HA2 GLY B 52 69.460 -21.308 58.525 1.00 0.00 H new ATOM 0 HA3 GLY B 52 71.171 -21.690 58.515 1.00 0.00 H new ATOM 1640 N GLN B 53 71.524 -21.281 60.994 1.00 0.00 N ATOM 1641 CA GLN B 53 71.616 -21.157 62.480 1.00 0.00 C ATOM 1642 C GLN B 53 71.944 -19.702 62.848 1.00 0.00 C ATOM 1643 O GLN B 53 72.519 -18.972 62.063 1.00 0.00 O ATOM 1644 CB GLN B 53 72.715 -22.082 63.015 1.00 0.00 C ATOM 1645 CG GLN B 53 72.283 -23.546 62.877 1.00 0.00 C ATOM 1646 CD GLN B 53 73.389 -24.449 63.424 1.00 0.00 C ATOM 1647 OE1 GLN B 53 73.191 -25.639 63.590 1.00 0.00 O ATOM 1648 NE2 GLN B 53 74.548 -23.929 63.724 1.00 0.00 N ATOM 0 H GLN B 53 72.313 -21.746 60.546 1.00 0.00 H new ATOM 0 HA GLN B 53 70.663 -21.443 62.925 1.00 0.00 H new ATOM 0 HB2 GLN B 53 73.642 -21.915 62.466 1.00 0.00 H new ATOM 0 HB3 GLN B 53 72.918 -21.852 64.061 1.00 0.00 H new ATOM 0 HG2 GLN B 53 71.355 -23.717 63.422 1.00 0.00 H new ATOM 0 HG3 GLN B 53 72.087 -23.783 61.831 1.00 0.00 H new ATOM 0 HE21 GLN B 53 74.711 -22.932 63.584 1.00 0.00 H new ATOM 0 HE22 GLN B 53 75.290 -24.520 64.098 1.00 0.00 H new ATOM 1657 N VAL B 54 71.578 -19.268 64.034 1.00 0.00 N ATOM 1658 CA VAL B 54 71.863 -17.855 64.449 1.00 0.00 C ATOM 1659 C VAL B 54 73.126 -17.822 65.314 1.00 0.00 C ATOM 1660 O VAL B 54 73.218 -18.489 66.326 1.00 0.00 O ATOM 1661 CB VAL B 54 70.682 -17.304 65.257 1.00 0.00 C ATOM 1662 CG1 VAL B 54 70.997 -15.881 65.727 1.00 0.00 C ATOM 1663 CG2 VAL B 54 69.425 -17.283 64.381 1.00 0.00 C ATOM 0 H VAL B 54 71.094 -19.832 64.732 1.00 0.00 H new ATOM 0 HA VAL B 54 72.011 -17.243 63.559 1.00 0.00 H new ATOM 0 HB VAL B 54 70.512 -17.943 66.124 1.00 0.00 H new ATOM 0 HG11 VAL B 54 70.156 -15.493 66.301 1.00 0.00 H new ATOM 0 HG12 VAL B 54 71.889 -15.894 66.354 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.171 -15.242 64.861 1.00 0.00 H new ATOM 0 HG21 VAL B 54 68.587 -16.891 64.957 1.00 0.00 H new ATOM 0 HG22 VAL B 54 69.597 -16.647 63.513 1.00 0.00 H new ATOM 0 HG23 VAL B 54 69.196 -18.296 64.050 1.00 0.00 H new ATOM 1673 N ASP B 55 74.103 -17.053 64.918 1.00 0.00 N ATOM 1674 CA ASP B 55 75.372 -16.971 65.700 1.00 0.00 C ATOM 1675 C ASP B 55 75.253 -15.890 66.779 1.00 0.00 C ATOM 1676 O ASP B 55 74.579 -14.905 66.531 1.00 0.00 O ATOM 1677 CB ASP B 55 76.512 -16.612 64.743 1.00 0.00 C ATOM 1678 CG ASP B 55 77.857 -16.727 65.465 1.00 0.00 C ATOM 1679 OD1 ASP B 55 77.846 -16.859 66.676 1.00 0.00 O ATOM 1680 OD2 ASP B 55 78.873 -16.672 64.791 1.00 0.00 O ATOM 1681 OXT ASP B 55 75.836 -16.068 67.837 1.00 0.00 O ATOM 0 H ASP B 55 74.077 -16.473 64.079 1.00 0.00 H new ATOM 0 HA ASP B 55 75.570 -17.929 66.181 1.00 0.00 H new ATOM 0 HB2 ASP B 55 76.496 -17.277 63.879 1.00 0.00 H new ATOM 0 HB3 ASP B 55 76.377 -15.598 64.368 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.433 -1.701 36.241 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 89.966 -21.251 39.663 1.00 0.00 ZN