USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -3.59! C(o=-7.9!,f=-7.9!) USER MOD Set 1.2: B 44 GLN : amide:sc= -4.27! C(o=-7.9!,f=-7.9!) USER MOD Set 2.1: A 53 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Set 2.2: B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 53 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 1 PHE N :NH3+ 173:sc= 0.501 (180deg=0.297) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0069 (180deg=-0.249) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.224 (180deg=-1.11) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0505 USER MOD Single : A 17 SER OG : rot -69:sc= -0.677 USER MOD Single : A 18 ASN : amide:sc=-0.00583 K(o=-0.0058,f=-1.3!) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.603 (180deg=-1.8) USER MOD Single : A 24 SER OG : rot 82:sc= 0.166 USER MOD Single : A 27 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.1!) USER MOD Single : A 34 LYS NZ :NH3+ 141:sc= -3.06! (180deg=-4.22!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= -0.362 (180deg=-1.47!) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.25 (180deg=-1.16!) USER MOD Single : A 51 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-4.3!) USER MOD Single : B 1 PHE N :NH3+ 173:sc= 0.481 (180deg=0.287) USER MOD Single : B 7 LYS NZ :NH3+ -163:sc= -0.0227 (180deg=-0.345) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 134:sc= -0.191 (180deg=-1.11) USER MOD Single : B 15 TYR OH : rot 180:sc=-0.00949 USER MOD Single : B 17 SER OG : rot -69:sc= -0.589 USER MOD Single : B 18 ASN : amide:sc=-0.00825 K(o=-0.0083,f=-1.4!) USER MOD Single : B 22 MET CE :methyl -164:sc= -0.602 (180deg=-1.91) USER MOD Single : B 24 SER OG : rot 82:sc= 0.107 USER MOD Single : B 27 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.1!) USER MOD Single : B 34 LYS NZ :NH3+ 139:sc= -2.61 (180deg=-3.5!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 152:sc= -0.27 (180deg=-1.42!) USER MOD Single : B 46 LYS NZ :NH3+ 155:sc= -0.329 (180deg=-1.12!) USER MOD Single : B 51 HIS : no HE2:sc= -0.876 K(o=-0.88,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.906 -3.509 23.947 1.00 0.00 N ATOM 2 CA PHE A 1 94.286 -4.075 25.171 1.00 0.00 C ATOM 3 C PHE A 1 93.936 -2.946 26.146 1.00 0.00 C ATOM 4 O PHE A 1 92.787 -2.636 26.364 1.00 0.00 O ATOM 5 CB PHE A 1 95.270 -5.035 25.853 1.00 0.00 C ATOM 6 CG PHE A 1 95.352 -6.344 25.092 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.078 -6.416 23.895 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.734 -7.499 25.601 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.189 -7.633 23.208 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.842 -8.710 24.906 1.00 0.00 C ATOM 11 CZ PHE A 1 95.568 -8.776 23.714 1.00 0.00 C ATOM 0 H1 PHE A 1 95.249 -4.282 23.342 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.200 -2.950 23.427 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.704 -2.898 24.213 1.00 0.00 H new ATOM 0 HA PHE A 1 93.380 -4.612 24.892 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.257 -4.576 25.905 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.951 -5.223 26.878 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.554 -5.530 23.500 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.177 -7.453 26.525 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.754 -7.686 22.289 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.362 -9.597 25.293 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.649 -9.713 23.183 1.00 0.00 H new ATOM 23 N LEU A 2 94.926 -2.349 26.750 1.00 0.00 N ATOM 24 CA LEU A 2 94.659 -1.261 27.740 1.00 0.00 C ATOM 25 C LEU A 2 94.129 0.002 27.041 1.00 0.00 C ATOM 26 O LEU A 2 93.259 0.677 27.552 1.00 0.00 O ATOM 27 CB LEU A 2 95.963 -0.915 28.475 1.00 0.00 C ATOM 28 CG LEU A 2 96.633 -2.191 29.012 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.948 -1.824 29.708 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.707 -2.883 30.023 1.00 0.00 C ATOM 0 H LEU A 2 95.912 -2.566 26.602 1.00 0.00 H new ATOM 0 HA LEU A 2 93.905 -1.613 28.445 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.643 -0.397 27.798 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.753 -0.233 29.299 1.00 0.00 H new ATOM 0 HG LEU A 2 96.830 -2.866 28.179 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.423 -2.728 30.089 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.613 -1.337 28.995 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.744 -1.145 30.536 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.188 -3.786 30.399 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.505 -2.207 30.854 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.769 -3.148 29.535 1.00 0.00 H new ATOM 42 N ASP A 3 94.656 0.344 25.894 1.00 0.00 N ATOM 43 CA ASP A 3 94.182 1.586 25.200 1.00 0.00 C ATOM 44 C ASP A 3 92.704 1.456 24.809 1.00 0.00 C ATOM 45 O ASP A 3 91.912 2.363 25.004 1.00 0.00 O ATOM 46 CB ASP A 3 95.014 1.808 23.935 1.00 0.00 C ATOM 47 CG ASP A 3 96.465 2.117 24.319 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.696 2.437 25.473 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.319 2.029 23.449 1.00 0.00 O ATOM 0 H ASP A 3 95.388 -0.175 25.409 1.00 0.00 H new ATOM 0 HA ASP A 3 94.296 2.430 25.880 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.976 0.921 23.303 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.598 2.631 23.354 1.00 0.00 H new ATOM 54 N GLY A 4 92.325 0.335 24.263 1.00 0.00 N ATOM 55 CA GLY A 4 90.901 0.147 23.859 1.00 0.00 C ATOM 56 C GLY A 4 90.020 0.032 25.099 1.00 0.00 C ATOM 57 O GLY A 4 88.989 0.665 25.195 1.00 0.00 O ATOM 0 H GLY A 4 92.938 -0.459 24.078 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.574 0.987 23.246 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.803 -0.750 23.248 1.00 0.00 H new ATOM 61 N ILE A 5 90.425 -0.764 26.049 1.00 0.00 N ATOM 62 CA ILE A 5 89.623 -0.935 27.292 1.00 0.00 C ATOM 63 C ILE A 5 89.465 0.407 28.007 1.00 0.00 C ATOM 64 O ILE A 5 88.420 0.714 28.544 1.00 0.00 O ATOM 65 CB ILE A 5 90.337 -1.926 28.210 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.332 -3.312 27.546 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.617 -2.002 29.558 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.353 -4.233 28.224 1.00 0.00 C ATOM 0 H ILE A 5 91.287 -1.309 26.016 1.00 0.00 H new ATOM 0 HA ILE A 5 88.633 -1.312 27.036 1.00 0.00 H new ATOM 0 HB ILE A 5 91.363 -1.596 28.376 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.336 -3.751 27.613 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.567 -3.215 26.486 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.132 -2.711 30.206 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.615 -1.017 30.026 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.590 -2.332 29.404 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.337 -5.211 27.742 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.349 -3.800 28.134 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.099 -4.344 29.278 1.00 0.00 H new ATOM 80 N ASP A 6 90.494 1.207 28.036 1.00 0.00 N ATOM 81 CA ASP A 6 90.388 2.519 28.734 1.00 0.00 C ATOM 82 C ASP A 6 89.202 3.301 28.162 1.00 0.00 C ATOM 83 O ASP A 6 88.385 3.831 28.889 1.00 0.00 O ATOM 84 CB ASP A 6 91.689 3.302 28.522 1.00 0.00 C ATOM 85 CG ASP A 6 91.669 4.599 29.343 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.598 4.989 29.781 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.728 5.185 29.511 1.00 0.00 O ATOM 0 H ASP A 6 91.399 1.011 27.609 1.00 0.00 H new ATOM 0 HA ASP A 6 90.230 2.366 29.802 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.542 2.690 28.816 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.813 3.535 27.464 1.00 0.00 H new ATOM 92 N LYS A 7 89.078 3.360 26.868 1.00 0.00 N ATOM 93 CA LYS A 7 87.913 4.086 26.286 1.00 0.00 C ATOM 94 C LYS A 7 86.640 3.289 26.564 1.00 0.00 C ATOM 95 O LYS A 7 85.613 3.830 26.928 1.00 0.00 O ATOM 96 CB LYS A 7 88.085 4.231 24.771 1.00 0.00 C ATOM 97 CG LYS A 7 89.309 5.086 24.463 1.00 0.00 C ATOM 98 CD LYS A 7 89.324 5.425 22.970 1.00 0.00 C ATOM 99 CE LYS A 7 90.620 6.156 22.629 1.00 0.00 C ATOM 100 NZ LYS A 7 90.633 7.481 23.309 1.00 0.00 N ATOM 0 H LYS A 7 89.721 2.944 26.194 1.00 0.00 H new ATOM 0 HA LYS A 7 87.848 5.076 26.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.194 3.248 24.314 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.195 4.687 24.338 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.287 6.001 25.056 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.219 4.551 24.736 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.241 4.514 22.378 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.465 6.048 22.719 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.479 5.564 22.945 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.704 6.287 21.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.384 8.073 22.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 89.713 7.948 23.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.811 7.348 24.325 1.00 0.00 H new ATOM 114 N ALA A 8 86.700 1.997 26.396 1.00 0.00 N ATOM 115 CA ALA A 8 85.498 1.158 26.646 1.00 0.00 C ATOM 116 C ALA A 8 85.132 1.218 28.128 1.00 0.00 C ATOM 117 O ALA A 8 83.974 1.210 28.495 1.00 0.00 O ATOM 118 CB ALA A 8 85.784 -0.291 26.238 1.00 0.00 C ATOM 0 H ALA A 8 87.531 1.487 26.096 1.00 0.00 H new ATOM 0 HA ALA A 8 84.664 1.536 26.055 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.901 -0.902 26.423 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.035 -0.328 25.178 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.620 -0.675 26.823 1.00 0.00 H new ATOM 124 N GLN A 9 86.115 1.270 28.982 1.00 0.00 N ATOM 125 CA GLN A 9 85.823 1.322 30.438 1.00 0.00 C ATOM 126 C GLN A 9 84.918 2.516 30.733 1.00 0.00 C ATOM 127 O GLN A 9 83.974 2.410 31.487 1.00 0.00 O ATOM 128 CB GLN A 9 87.133 1.452 31.214 1.00 0.00 C ATOM 129 CG GLN A 9 86.864 1.256 32.705 1.00 0.00 C ATOM 130 CD GLN A 9 88.181 1.340 33.485 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.246 1.187 32.919 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.148 1.576 34.769 1.00 0.00 N ATOM 0 H GLN A 9 87.104 1.279 28.734 1.00 0.00 H new ATOM 0 HA GLN A 9 85.316 0.407 30.745 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.851 0.711 30.863 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.576 2.433 31.039 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.170 2.017 33.062 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.391 0.289 32.875 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.253 1.704 35.241 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.017 1.632 35.300 1.00 0.00 H new ATOM 141 N GLU A 10 85.178 3.650 30.134 1.00 0.00 N ATOM 142 CA GLU A 10 84.299 4.830 30.381 1.00 0.00 C ATOM 143 C GLU A 10 82.881 4.488 29.931 1.00 0.00 C ATOM 144 O GLU A 10 81.909 4.817 30.583 1.00 0.00 O ATOM 145 CB GLU A 10 84.819 6.036 29.585 1.00 0.00 C ATOM 146 CG GLU A 10 84.072 7.303 30.023 1.00 0.00 C ATOM 147 CD GLU A 10 84.514 8.479 29.151 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.363 8.271 28.301 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.993 9.565 29.344 1.00 0.00 O ATOM 0 H GLU A 10 85.954 3.808 29.491 1.00 0.00 H new ATOM 0 HA GLU A 10 84.300 5.079 31.442 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.890 6.158 29.749 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.677 5.869 28.517 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.996 7.154 29.933 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.278 7.516 31.072 1.00 0.00 H new ATOM 156 N GLU A 11 82.758 3.815 28.819 1.00 0.00 N ATOM 157 CA GLU A 11 81.410 3.433 28.321 1.00 0.00 C ATOM 158 C GLU A 11 80.738 2.548 29.367 1.00 0.00 C ATOM 159 O GLU A 11 79.562 2.680 29.652 1.00 0.00 O ATOM 160 CB GLU A 11 81.564 2.677 26.994 1.00 0.00 C ATOM 161 CG GLU A 11 80.187 2.387 26.388 1.00 0.00 C ATOM 162 CD GLU A 11 79.531 1.213 27.119 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.255 0.393 27.663 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.316 1.152 27.118 1.00 0.00 O ATOM 0 H GLU A 11 83.537 3.513 28.234 1.00 0.00 H new ATOM 0 HA GLU A 11 80.796 4.317 28.152 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.159 3.268 26.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.101 1.743 27.159 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.554 3.272 26.462 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.288 2.155 25.328 1.00 0.00 H new ATOM 171 N HIS A 12 81.476 1.646 29.949 1.00 0.00 N ATOM 172 CA HIS A 12 80.877 0.760 30.983 1.00 0.00 C ATOM 173 C HIS A 12 80.384 1.598 32.160 1.00 0.00 C ATOM 174 O HIS A 12 79.290 1.423 32.640 1.00 0.00 O ATOM 175 CB HIS A 12 81.916 -0.244 31.495 1.00 0.00 C ATOM 176 CG HIS A 12 81.232 -1.147 32.480 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.958 -2.494 32.204 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.650 -0.886 33.697 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.223 -2.977 33.231 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.023 -2.032 34.134 1.00 0.00 N ATOM 0 H HIS A 12 82.464 1.484 29.754 1.00 0.00 H new ATOM 0 HA HIS A 12 80.044 0.221 30.532 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.328 -0.822 30.668 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.750 0.276 31.967 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.258 -3.014 31.380 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.679 0.057 34.222 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.853 -3.989 33.303 1.00 0.00 H new ATOM 188 N GLU A 13 81.195 2.492 32.644 1.00 0.00 N ATOM 189 CA GLU A 13 80.777 3.331 33.808 1.00 0.00 C ATOM 190 C GLU A 13 79.530 4.147 33.462 1.00 0.00 C ATOM 191 O GLU A 13 78.629 4.289 34.264 1.00 0.00 O ATOM 192 CB GLU A 13 81.916 4.283 34.177 1.00 0.00 C ATOM 193 CG GLU A 13 81.584 5.014 35.487 1.00 0.00 C ATOM 194 CD GLU A 13 81.613 4.027 36.652 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.210 2.976 36.499 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.037 4.343 37.678 1.00 0.00 O ATOM 0 H GLU A 13 82.131 2.682 32.287 1.00 0.00 H new ATOM 0 HA GLU A 13 80.547 2.677 34.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.846 3.725 34.287 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.071 5.006 33.376 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.303 5.815 35.659 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.600 5.478 35.416 1.00 0.00 H new ATOM 203 N LYS A 14 79.486 4.708 32.290 1.00 0.00 N ATOM 204 CA LYS A 14 78.317 5.545 31.902 1.00 0.00 C ATOM 205 C LYS A 14 77.004 4.746 31.899 1.00 0.00 C ATOM 206 O LYS A 14 75.962 5.282 32.223 1.00 0.00 O ATOM 207 CB LYS A 14 78.545 6.129 30.506 1.00 0.00 C ATOM 208 CG LYS A 14 79.666 7.173 30.559 1.00 0.00 C ATOM 209 CD LYS A 14 79.986 7.680 29.142 1.00 0.00 C ATOM 210 CE LYS A 14 78.959 8.727 28.701 1.00 0.00 C ATOM 211 NZ LYS A 14 78.980 9.881 29.641 1.00 0.00 N ATOM 0 H LYS A 14 80.212 4.624 31.579 1.00 0.00 H new ATOM 0 HA LYS A 14 78.227 6.339 32.643 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.808 5.335 29.807 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.626 6.586 30.138 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.366 8.008 31.193 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.559 6.737 31.007 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.986 8.112 29.122 1.00 0.00 H new ATOM 0 HD3 LYS A 14 79.986 6.845 28.442 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.183 9.066 27.690 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.963 8.285 28.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.700 10.746 29.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.315 9.706 30.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.940 9.999 30.024 1.00 0.00 H new ATOM 225 N TYR A 15 77.021 3.501 31.483 1.00 0.00 N ATOM 226 CA TYR A 15 75.736 2.722 31.401 1.00 0.00 C ATOM 227 C TYR A 15 75.867 1.303 31.981 1.00 0.00 C ATOM 228 O TYR A 15 74.917 0.547 31.962 1.00 0.00 O ATOM 229 CB TYR A 15 75.367 2.608 29.922 1.00 0.00 C ATOM 230 CG TYR A 15 75.512 3.958 29.256 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.483 4.902 29.366 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.674 4.270 28.525 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.609 6.153 28.753 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.796 5.523 27.913 1.00 0.00 C ATOM 235 CZ TYR A 15 75.763 6.463 28.027 1.00 0.00 C ATOM 236 OH TYR A 15 75.884 7.696 27.421 1.00 0.00 O ATOM 0 H TYR A 15 77.858 2.992 31.199 1.00 0.00 H new ATOM 0 HA TYR A 15 74.977 3.243 31.984 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.011 1.878 29.431 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.343 2.249 29.819 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.590 4.663 29.925 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.469 3.545 28.437 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.815 6.880 28.841 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.687 5.765 27.353 1.00 0.00 H new ATOM 0 HH TYR A 15 76.746 7.750 26.958 1.00 0.00 H new ATOM 246 N HIS A 16 77.020 0.906 32.453 1.00 0.00 N ATOM 247 CA HIS A 16 77.163 -0.493 32.978 1.00 0.00 C ATOM 248 C HIS A 16 76.658 -1.439 31.895 1.00 0.00 C ATOM 249 O HIS A 16 75.945 -2.390 32.155 1.00 0.00 O ATOM 250 CB HIS A 16 76.345 -0.704 34.256 1.00 0.00 C ATOM 251 CG HIS A 16 76.962 0.029 35.420 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.019 -0.475 36.169 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.647 1.224 36.026 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.309 0.370 37.161 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.496 1.433 37.122 1.00 0.00 N ATOM 0 H HIS A 16 77.862 1.479 32.500 1.00 0.00 H new ATOM 0 HA HIS A 16 78.208 -0.682 33.224 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.325 -0.354 34.101 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.286 -1.769 34.482 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.866 1.897 35.706 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.089 0.218 37.892 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.495 2.230 37.758 1.00 0.00 H new ATOM 263 N SER A 17 76.998 -1.149 30.671 1.00 0.00 N ATOM 264 CA SER A 17 76.522 -1.985 29.545 1.00 0.00 C ATOM 265 C SER A 17 77.012 -3.430 29.704 1.00 0.00 C ATOM 266 O SER A 17 77.996 -3.698 30.364 1.00 0.00 O ATOM 267 CB SER A 17 77.045 -1.401 28.239 1.00 0.00 C ATOM 268 OG SER A 17 78.443 -1.626 28.151 1.00 0.00 O ATOM 0 H SER A 17 77.590 -0.362 30.405 1.00 0.00 H new ATOM 0 HA SER A 17 75.432 -1.992 29.538 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.537 -1.862 27.392 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.834 -0.333 28.195 1.00 0.00 H new ATOM 0 HG SER A 17 78.905 -1.077 28.818 1.00 0.00 H new ATOM 274 N ASN A 18 76.320 -4.360 29.097 1.00 0.00 N ATOM 275 CA ASN A 18 76.720 -5.792 29.202 1.00 0.00 C ATOM 276 C ASN A 18 77.971 -6.029 28.359 1.00 0.00 C ATOM 277 O ASN A 18 78.268 -5.277 27.452 1.00 0.00 O ATOM 278 CB ASN A 18 75.588 -6.681 28.676 1.00 0.00 C ATOM 279 CG ASN A 18 74.320 -6.450 29.498 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.371 -5.896 30.578 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.174 -6.857 29.031 1.00 0.00 N ATOM 0 H ASN A 18 75.490 -4.186 28.530 1.00 0.00 H new ATOM 0 HA ASN A 18 76.923 -6.035 30.245 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.397 -6.458 27.626 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.882 -7.729 28.731 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.322 -6.710 29.572 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.129 -7.322 28.124 1.00 0.00 H new ATOM 288 N TRP A 19 78.701 -7.069 28.643 1.00 0.00 N ATOM 289 CA TRP A 19 79.927 -7.349 27.849 1.00 0.00 C ATOM 290 C TRP A 19 79.558 -7.468 26.366 1.00 0.00 C ATOM 291 O TRP A 19 80.360 -7.195 25.497 1.00 0.00 O ATOM 292 CB TRP A 19 80.599 -8.639 28.347 1.00 0.00 C ATOM 293 CG TRP A 19 79.880 -9.851 27.830 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.001 -10.599 28.538 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.975 -10.471 26.511 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.552 -11.636 27.738 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.120 -11.596 26.478 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.710 -10.165 25.351 1.00 0.00 C ATOM 299 CZ2 TRP A 19 79.002 -12.392 25.336 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.592 -10.962 24.200 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.739 -12.072 24.195 1.00 0.00 C ATOM 0 H TRP A 19 78.502 -7.736 29.389 1.00 0.00 H new ATOM 0 HA TRP A 19 80.634 -6.529 27.973 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.639 -8.661 28.021 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.606 -8.653 29.437 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.700 -10.417 29.559 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.883 -12.344 28.041 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.370 -9.310 25.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.345 -13.249 25.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.162 -10.717 23.316 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.651 -12.681 23.307 1.00 0.00 H new ATOM 312 N ARG A 20 78.357 -7.885 26.071 1.00 0.00 N ATOM 313 CA ARG A 20 77.959 -8.023 24.641 1.00 0.00 C ATOM 314 C ARG A 20 77.993 -6.650 23.970 1.00 0.00 C ATOM 315 O ARG A 20 78.423 -6.505 22.843 1.00 0.00 O ATOM 316 CB ARG A 20 76.523 -8.562 24.561 1.00 0.00 C ATOM 317 CG ARG A 20 76.410 -9.916 25.273 1.00 0.00 C ATOM 318 CD ARG A 20 75.025 -10.539 25.002 1.00 0.00 C ATOM 319 NE ARG A 20 74.515 -11.220 26.239 1.00 0.00 N ATOM 320 CZ ARG A 20 75.261 -12.040 26.932 1.00 0.00 C ATOM 321 NH1 ARG A 20 76.435 -12.405 26.495 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.806 -12.536 28.052 1.00 0.00 N ATOM 0 H ARG A 20 77.639 -8.134 26.752 1.00 0.00 H new ATOM 0 HA ARG A 20 78.647 -8.705 24.142 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.836 -7.848 25.016 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.227 -8.669 23.517 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.195 -10.587 24.923 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.556 -9.786 26.345 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.324 -9.765 24.688 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.094 -11.257 24.184 1.00 0.00 H new ATOM 0 HE ARG A 20 73.560 -11.038 26.547 1.00 0.00 H new ATOM 0 HH11 ARG A 20 76.780 -12.050 25.603 1.00 0.00 H new ATOM 0 HH12 ARG A 20 77.007 -13.045 27.045 1.00 0.00 H new ATOM 0 HH21 ARG A 20 73.874 -12.283 28.381 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.383 -13.176 28.598 1.00 0.00 H new ATOM 336 N ALA A 21 77.532 -5.645 24.654 1.00 0.00 N ATOM 337 CA ALA A 21 77.515 -4.281 24.065 1.00 0.00 C ATOM 338 C ALA A 21 78.939 -3.755 23.915 1.00 0.00 C ATOM 339 O ALA A 21 79.311 -3.255 22.873 1.00 0.00 O ATOM 340 CB ALA A 21 76.695 -3.367 24.985 1.00 0.00 C ATOM 0 H ALA A 21 77.163 -5.710 25.603 1.00 0.00 H new ATOM 0 HA ALA A 21 77.062 -4.306 23.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.671 -2.360 24.569 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.678 -3.751 25.067 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.153 -3.340 25.974 1.00 0.00 H new ATOM 346 N MET A 22 79.739 -3.852 24.939 1.00 0.00 N ATOM 347 CA MET A 22 81.139 -3.349 24.831 1.00 0.00 C ATOM 348 C MET A 22 81.880 -4.113 23.738 1.00 0.00 C ATOM 349 O MET A 22 82.647 -3.551 22.985 1.00 0.00 O ATOM 350 CB MET A 22 81.856 -3.539 26.161 1.00 0.00 C ATOM 351 CG MET A 22 81.259 -2.590 27.196 1.00 0.00 C ATOM 352 SD MET A 22 82.224 -2.672 28.727 1.00 0.00 S ATOM 353 CE MET A 22 81.737 -4.345 29.218 1.00 0.00 C ATOM 0 H MET A 22 79.488 -4.255 25.842 1.00 0.00 H new ATOM 0 HA MET A 22 81.119 -2.289 24.578 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.756 -4.571 26.497 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.922 -3.344 26.044 1.00 0.00 H new ATOM 0 HG2 MET A 22 81.257 -1.571 26.810 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.221 -2.858 27.394 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.952 -4.490 30.277 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.670 -4.480 29.042 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.296 -5.074 28.631 1.00 0.00 H new ATOM 363 N ALA A 23 81.666 -5.399 23.651 1.00 0.00 N ATOM 364 CA ALA A 23 82.368 -6.191 22.604 1.00 0.00 C ATOM 365 C ALA A 23 81.999 -5.649 21.220 1.00 0.00 C ATOM 366 O ALA A 23 82.854 -5.405 20.394 1.00 0.00 O ATOM 367 CB ALA A 23 81.953 -7.658 22.716 1.00 0.00 C ATOM 0 H ALA A 23 81.040 -5.931 24.256 1.00 0.00 H new ATOM 0 HA ALA A 23 83.446 -6.110 22.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.465 -8.241 21.950 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.222 -8.038 23.702 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.875 -7.743 22.576 1.00 0.00 H new ATOM 373 N SER A 24 80.731 -5.455 20.967 1.00 0.00 N ATOM 374 CA SER A 24 80.299 -4.925 19.639 1.00 0.00 C ATOM 375 C SER A 24 80.727 -3.460 19.488 1.00 0.00 C ATOM 376 O SER A 24 81.068 -3.008 18.412 1.00 0.00 O ATOM 377 CB SER A 24 78.779 -5.006 19.538 1.00 0.00 C ATOM 378 OG SER A 24 78.362 -6.352 19.710 1.00 0.00 O ATOM 0 H SER A 24 79.974 -5.641 21.624 1.00 0.00 H new ATOM 0 HA SER A 24 80.764 -5.519 18.852 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.320 -4.372 20.297 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.448 -4.633 18.569 1.00 0.00 H new ATOM 0 HG SER A 24 78.330 -6.565 20.666 1.00 0.00 H new ATOM 384 N ASP A 25 80.679 -2.703 20.551 1.00 0.00 N ATOM 385 CA ASP A 25 81.053 -1.261 20.460 1.00 0.00 C ATOM 386 C ASP A 25 82.504 -1.102 19.992 1.00 0.00 C ATOM 387 O ASP A 25 82.815 -0.214 19.222 1.00 0.00 O ATOM 388 CB ASP A 25 80.868 -0.598 21.824 1.00 0.00 C ATOM 389 CG ASP A 25 79.381 -0.553 22.166 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.581 -0.846 21.292 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.066 -0.221 23.297 1.00 0.00 O ATOM 0 H ASP A 25 80.397 -3.020 21.479 1.00 0.00 H new ATOM 0 HA ASP A 25 80.405 -0.778 19.729 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.412 -1.154 22.588 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.280 0.411 21.810 1.00 0.00 H new ATOM 396 N PHE A 26 83.396 -1.948 20.449 1.00 0.00 N ATOM 397 CA PHE A 26 84.837 -1.847 20.032 1.00 0.00 C ATOM 398 C PHE A 26 85.223 -3.076 19.212 1.00 0.00 C ATOM 399 O PHE A 26 86.337 -3.193 18.749 1.00 0.00 O ATOM 400 CB PHE A 26 85.716 -1.753 21.279 1.00 0.00 C ATOM 401 CG PHE A 26 85.371 -0.484 22.019 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.046 0.710 21.723 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.368 -0.498 22.997 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.716 1.884 22.406 1.00 0.00 C ATOM 405 CE2 PHE A 26 84.037 0.677 23.679 1.00 0.00 C ATOM 406 CZ PHE A 26 84.712 1.870 23.385 1.00 0.00 C ATOM 0 H PHE A 26 83.190 -2.709 21.096 1.00 0.00 H new ATOM 0 HA PHE A 26 84.981 -0.956 19.421 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.556 -2.620 21.920 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.770 -1.753 21.000 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.819 0.722 20.969 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.850 -1.418 23.225 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.235 2.804 22.179 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.262 0.665 24.431 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.459 2.778 23.912 1.00 0.00 H new ATOM 416 N ASN A 27 84.304 -3.985 19.019 1.00 0.00 N ATOM 417 CA ASN A 27 84.606 -5.199 18.212 1.00 0.00 C ATOM 418 C ASN A 27 85.793 -5.958 18.816 1.00 0.00 C ATOM 419 O ASN A 27 86.719 -6.320 18.122 1.00 0.00 O ATOM 420 CB ASN A 27 84.932 -4.779 16.775 1.00 0.00 C ATOM 421 CG ASN A 27 84.972 -6.009 15.867 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.494 -7.064 16.228 1.00 0.00 O ATOM 423 ND2 ASN A 27 85.524 -5.914 14.688 1.00 0.00 N ATOM 0 H ASN A 27 83.354 -3.937 19.388 1.00 0.00 H new ATOM 0 HA ASN A 27 83.737 -5.857 18.214 1.00 0.00 H new ATOM 0 HB2 ASN A 27 84.182 -4.075 16.414 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.893 -4.264 16.747 1.00 0.00 H new ATOM 0 HD21 ASN A 27 85.553 -6.726 14.072 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.926 -5.028 14.383 1.00 0.00 H new ATOM 430 N LEU A 28 85.764 -6.209 20.108 1.00 0.00 N ATOM 431 CA LEU A 28 86.883 -6.959 20.771 1.00 0.00 C ATOM 432 C LEU A 28 86.342 -8.308 21.279 1.00 0.00 C ATOM 433 O LEU A 28 85.187 -8.401 21.639 1.00 0.00 O ATOM 434 CB LEU A 28 87.400 -6.151 21.971 1.00 0.00 C ATOM 435 CG LEU A 28 87.971 -4.804 21.498 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.049 -3.832 22.678 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.378 -4.995 20.922 1.00 0.00 C ATOM 0 H LEU A 28 85.010 -5.925 20.733 1.00 0.00 H new ATOM 0 HA LEU A 28 87.692 -7.118 20.058 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.590 -5.982 22.681 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.170 -6.717 22.495 1.00 0.00 H new ATOM 0 HG LEU A 28 87.314 -4.402 20.726 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.454 -2.879 22.338 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.051 -3.677 23.088 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.697 -4.247 23.449 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.769 -4.033 20.591 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.032 -5.409 21.689 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.335 -5.680 20.075 1.00 0.00 H new ATOM 449 N PRO A 29 87.150 -9.353 21.325 1.00 0.00 N ATOM 450 CA PRO A 29 86.679 -10.679 21.822 1.00 0.00 C ATOM 451 C PRO A 29 85.947 -10.549 23.172 1.00 0.00 C ATOM 452 O PRO A 29 86.294 -9.706 23.975 1.00 0.00 O ATOM 453 CB PRO A 29 87.975 -11.486 21.997 1.00 0.00 C ATOM 454 CG PRO A 29 88.938 -10.880 21.030 1.00 0.00 C ATOM 455 CD PRO A 29 88.568 -9.400 20.912 1.00 0.00 C ATOM 0 HA PRO A 29 85.968 -11.144 21.139 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.347 -11.419 23.019 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.814 -12.543 21.785 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.964 -10.996 21.381 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.875 -11.373 20.060 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.192 -8.780 21.555 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.699 -9.035 19.893 1.00 0.00 H new ATOM 463 N PRO A 30 84.957 -11.372 23.440 1.00 0.00 N ATOM 464 CA PRO A 30 84.215 -11.311 24.727 1.00 0.00 C ATOM 465 C PRO A 30 85.168 -11.162 25.915 1.00 0.00 C ATOM 466 O PRO A 30 84.895 -10.471 26.876 1.00 0.00 O ATOM 467 CB PRO A 30 83.485 -12.662 24.801 1.00 0.00 C ATOM 468 CG PRO A 30 83.347 -13.130 23.385 1.00 0.00 C ATOM 469 CD PRO A 30 84.441 -12.434 22.560 1.00 0.00 C ATOM 0 HA PRO A 30 83.542 -10.455 24.770 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.050 -13.379 25.397 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.509 -12.554 25.274 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.454 -14.213 23.327 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.359 -12.886 22.995 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.229 -13.133 22.279 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.037 -12.021 21.636 1.00 0.00 H new ATOM 477 N VAL A 31 86.274 -11.835 25.850 1.00 0.00 N ATOM 478 CA VAL A 31 87.255 -11.782 26.973 1.00 0.00 C ATOM 479 C VAL A 31 87.559 -10.332 27.340 1.00 0.00 C ATOM 480 O VAL A 31 87.561 -9.965 28.497 1.00 0.00 O ATOM 481 CB VAL A 31 88.554 -12.485 26.535 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.613 -12.453 27.658 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.245 -13.947 26.171 1.00 0.00 C ATOM 0 H VAL A 31 86.548 -12.425 25.065 1.00 0.00 H new ATOM 0 HA VAL A 31 86.834 -12.283 27.844 1.00 0.00 H new ATOM 0 HB VAL A 31 88.954 -11.956 25.670 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.518 -12.957 27.319 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.846 -11.418 27.909 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.224 -12.961 28.540 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.163 -14.446 25.861 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.829 -14.458 27.039 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.523 -13.974 25.354 1.00 0.00 H new ATOM 493 N VAL A 32 87.830 -9.503 26.387 1.00 0.00 N ATOM 494 CA VAL A 32 88.142 -8.098 26.746 1.00 0.00 C ATOM 495 C VAL A 32 86.905 -7.432 27.344 1.00 0.00 C ATOM 496 O VAL A 32 86.967 -6.799 28.379 1.00 0.00 O ATOM 497 CB VAL A 32 88.592 -7.331 25.510 1.00 0.00 C ATOM 498 CG1 VAL A 32 89.026 -5.918 25.917 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.768 -8.068 24.867 1.00 0.00 C ATOM 0 H VAL A 32 87.850 -9.726 25.392 1.00 0.00 H new ATOM 0 HA VAL A 32 88.947 -8.090 27.481 1.00 0.00 H new ATOM 0 HB VAL A 32 87.771 -7.262 24.797 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.348 -5.368 25.033 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.187 -5.399 26.381 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.851 -5.981 26.626 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.097 -7.525 23.981 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.591 -8.132 25.579 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.456 -9.073 24.582 1.00 0.00 H new ATOM 509 N ALA A 33 85.783 -7.568 26.697 1.00 0.00 N ATOM 510 CA ALA A 33 84.543 -6.944 27.230 1.00 0.00 C ATOM 511 C ALA A 33 84.159 -7.605 28.556 1.00 0.00 C ATOM 512 O ALA A 33 83.828 -6.935 29.517 1.00 0.00 O ATOM 513 CB ALA A 33 83.412 -7.125 26.213 1.00 0.00 C ATOM 0 H ALA A 33 85.671 -8.083 25.824 1.00 0.00 H new ATOM 0 HA ALA A 33 84.713 -5.881 27.401 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.500 -6.669 26.598 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.688 -6.646 25.273 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.243 -8.188 26.043 1.00 0.00 H new ATOM 519 N LYS A 34 84.192 -8.911 28.624 1.00 0.00 N ATOM 520 CA LYS A 34 83.824 -9.588 29.901 1.00 0.00 C ATOM 521 C LYS A 34 84.790 -9.175 31.014 1.00 0.00 C ATOM 522 O LYS A 34 84.406 -9.039 32.160 1.00 0.00 O ATOM 523 CB LYS A 34 83.868 -11.108 29.726 1.00 0.00 C ATOM 524 CG LYS A 34 82.729 -11.565 28.812 1.00 0.00 C ATOM 525 CD LYS A 34 82.634 -13.095 28.850 1.00 0.00 C ATOM 526 CE LYS A 34 83.956 -13.725 28.379 1.00 0.00 C ATOM 527 NZ LYS A 34 84.842 -13.961 29.557 1.00 0.00 N ATOM 0 H LYS A 34 84.455 -9.532 27.859 1.00 0.00 H new ATOM 0 HA LYS A 34 82.812 -9.287 30.173 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.827 -11.405 29.302 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.784 -11.596 30.697 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.787 -11.122 29.136 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.907 -11.225 27.792 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.406 -13.427 29.863 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.816 -13.431 28.213 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.760 -14.665 27.864 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.451 -13.067 27.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 85.340 -14.867 29.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 85.537 -13.191 29.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 84.267 -13.990 30.423 1.00 0.00 H new ATOM 541 N GLU A 35 86.046 -8.995 30.701 1.00 0.00 N ATOM 542 CA GLU A 35 87.018 -8.614 31.767 1.00 0.00 C ATOM 543 C GLU A 35 86.600 -7.288 32.397 1.00 0.00 C ATOM 544 O GLU A 35 86.708 -7.099 33.592 1.00 0.00 O ATOM 545 CB GLU A 35 88.430 -8.496 31.179 1.00 0.00 C ATOM 546 CG GLU A 35 89.472 -8.517 32.307 1.00 0.00 C ATOM 547 CD GLU A 35 89.466 -7.174 33.038 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.622 -6.161 32.376 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.309 -7.181 34.247 1.00 0.00 O ATOM 0 H GLU A 35 86.438 -9.094 29.764 1.00 0.00 H new ATOM 0 HA GLU A 35 87.023 -9.388 32.535 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.615 -9.318 30.487 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.519 -7.572 30.608 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.250 -9.323 33.006 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.462 -8.715 31.897 1.00 0.00 H new ATOM 556 N ILE A 36 86.106 -6.372 31.613 1.00 0.00 N ATOM 557 CA ILE A 36 85.673 -5.072 32.194 1.00 0.00 C ATOM 558 C ILE A 36 84.587 -5.353 33.235 1.00 0.00 C ATOM 559 O ILE A 36 84.557 -4.755 34.294 1.00 0.00 O ATOM 560 CB ILE A 36 85.127 -4.163 31.084 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.261 -3.850 30.104 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.589 -2.859 31.691 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.744 -2.967 28.967 1.00 0.00 C ATOM 0 H ILE A 36 85.984 -6.465 30.605 1.00 0.00 H new ATOM 0 HA ILE A 36 86.516 -4.566 32.665 1.00 0.00 H new ATOM 0 HB ILE A 36 84.313 -4.666 30.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.074 -3.345 30.626 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.668 -4.776 29.699 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.204 -2.220 30.897 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.788 -3.088 32.393 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.393 -2.342 32.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.558 -2.750 28.276 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.946 -3.487 28.437 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.358 -2.034 29.378 1.00 0.00 H new ATOM 575 N VAL A 37 83.705 -6.271 32.949 1.00 0.00 N ATOM 576 CA VAL A 37 82.635 -6.603 33.931 1.00 0.00 C ATOM 577 C VAL A 37 83.293 -7.146 35.199 1.00 0.00 C ATOM 578 O VAL A 37 82.871 -6.865 36.303 1.00 0.00 O ATOM 579 CB VAL A 37 81.692 -7.658 33.336 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.569 -7.980 34.341 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.084 -7.116 32.036 1.00 0.00 C ATOM 0 H VAL A 37 83.679 -6.804 32.080 1.00 0.00 H new ATOM 0 HA VAL A 37 82.054 -5.712 34.167 1.00 0.00 H new ATOM 0 HB VAL A 37 82.252 -8.569 33.125 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.902 -8.729 33.914 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.005 -8.365 35.263 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.004 -7.073 34.558 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.413 -7.862 31.609 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.525 -6.204 32.248 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.881 -6.896 31.326 1.00 0.00 H new ATOM 591 N ALA A 38 84.337 -7.912 35.051 1.00 0.00 N ATOM 592 CA ALA A 38 85.033 -8.458 36.250 1.00 0.00 C ATOM 593 C ALA A 38 85.548 -7.298 37.108 1.00 0.00 C ATOM 594 O ALA A 38 85.585 -7.378 38.317 1.00 0.00 O ATOM 595 CB ALA A 38 86.209 -9.332 35.805 1.00 0.00 C ATOM 0 H ALA A 38 84.738 -8.184 34.153 1.00 0.00 H new ATOM 0 HA ALA A 38 84.338 -9.061 36.834 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.718 -9.731 36.682 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.840 -10.155 35.194 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.908 -8.732 35.222 1.00 0.00 H new ATOM 601 N SER A 39 85.950 -6.218 36.493 1.00 0.00 N ATOM 602 CA SER A 39 86.467 -5.059 37.281 1.00 0.00 C ATOM 603 C SER A 39 85.299 -4.289 37.904 1.00 0.00 C ATOM 604 O SER A 39 85.456 -3.611 38.897 1.00 0.00 O ATOM 605 CB SER A 39 87.249 -4.125 36.357 1.00 0.00 C ATOM 606 OG SER A 39 88.337 -4.838 35.779 1.00 0.00 O ATOM 0 H SER A 39 85.943 -6.087 35.481 1.00 0.00 H new ATOM 0 HA SER A 39 87.119 -5.428 38.073 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.596 -3.738 35.575 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.619 -3.266 36.917 1.00 0.00 H new ATOM 0 HG SER A 39 88.839 -4.242 35.185 1.00 0.00 H new ATOM 612 N CYS A 40 84.132 -4.385 37.332 1.00 0.00 N ATOM 613 CA CYS A 40 82.962 -3.650 37.904 1.00 0.00 C ATOM 614 C CYS A 40 82.355 -4.464 39.046 1.00 0.00 C ATOM 615 O CYS A 40 81.710 -5.471 38.832 1.00 0.00 O ATOM 616 CB CYS A 40 81.905 -3.447 36.824 1.00 0.00 C ATOM 617 SG CYS A 40 80.473 -2.607 37.544 1.00 0.00 S ATOM 0 H CYS A 40 83.935 -4.937 36.497 1.00 0.00 H new ATOM 0 HA CYS A 40 83.297 -2.682 38.277 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.314 -2.856 36.004 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.606 -4.408 36.406 1.00 0.00 H new ATOM 622 N ASP A 41 82.558 -4.038 40.259 1.00 0.00 N ATOM 623 CA ASP A 41 81.995 -4.786 41.415 1.00 0.00 C ATOM 624 C ASP A 41 80.463 -4.817 41.338 1.00 0.00 C ATOM 625 O ASP A 41 79.832 -5.756 41.787 1.00 0.00 O ATOM 626 CB ASP A 41 82.425 -4.112 42.721 1.00 0.00 C ATOM 627 CG ASP A 41 83.946 -4.207 42.876 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.558 -4.926 42.100 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.475 -3.560 43.764 1.00 0.00 O ATOM 0 H ASP A 41 83.091 -3.202 40.501 1.00 0.00 H new ATOM 0 HA ASP A 41 82.371 -5.809 41.387 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.115 -3.067 42.721 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.933 -4.591 43.568 1.00 0.00 H new ATOM 634 N LYS A 42 79.856 -3.790 40.803 1.00 0.00 N ATOM 635 CA LYS A 42 78.361 -3.762 40.738 1.00 0.00 C ATOM 636 C LYS A 42 77.831 -4.794 39.732 1.00 0.00 C ATOM 637 O LYS A 42 76.881 -5.502 40.009 1.00 0.00 O ATOM 638 CB LYS A 42 77.895 -2.362 40.315 1.00 0.00 C ATOM 639 CG LYS A 42 78.312 -1.346 41.382 1.00 0.00 C ATOM 640 CD LYS A 42 77.822 0.063 41.001 1.00 0.00 C ATOM 641 CE LYS A 42 76.362 0.256 41.428 1.00 0.00 C ATOM 642 NZ LYS A 42 76.218 -0.030 42.880 1.00 0.00 N ATOM 0 H LYS A 42 80.325 -2.974 40.410 1.00 0.00 H new ATOM 0 HA LYS A 42 77.971 -4.008 41.726 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.332 -2.096 39.353 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.813 -2.349 40.188 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.898 -1.633 42.348 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.397 -1.345 41.488 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.450 0.815 41.480 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.915 0.208 39.925 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.044 1.277 41.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.715 -0.406 40.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.469 0.571 43.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.967 -1.030 43.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.117 0.169 43.364 1.00 0.00 H new ATOM 656 N CYS A 43 78.425 -4.895 38.573 1.00 0.00 N ATOM 657 CA CYS A 43 77.932 -5.892 37.576 1.00 0.00 C ATOM 658 C CYS A 43 78.514 -7.276 37.888 1.00 0.00 C ATOM 659 O CYS A 43 77.898 -8.286 37.626 1.00 0.00 O ATOM 660 CB CYS A 43 78.353 -5.469 36.164 1.00 0.00 C ATOM 661 SG CYS A 43 77.492 -3.941 35.694 1.00 0.00 S ATOM 0 H CYS A 43 79.224 -4.336 38.274 1.00 0.00 H new ATOM 0 HA CYS A 43 76.844 -5.937 37.631 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.431 -5.315 36.127 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.120 -6.262 35.453 1.00 0.00 H new ATOM 666 N GLN A 44 79.705 -7.331 38.424 1.00 0.00 N ATOM 667 CA GLN A 44 80.334 -8.654 38.724 1.00 0.00 C ATOM 668 C GLN A 44 79.619 -9.351 39.888 1.00 0.00 C ATOM 669 O GLN A 44 79.292 -10.519 39.813 1.00 0.00 O ATOM 670 CB GLN A 44 81.797 -8.438 39.105 1.00 0.00 C ATOM 671 CG GLN A 44 82.525 -9.784 39.128 1.00 0.00 C ATOM 672 CD GLN A 44 83.884 -9.612 39.804 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.331 -8.410 40.030 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.550 -10.579 40.119 1.00 0.00 N ATOM 0 H GLN A 44 80.270 -6.518 38.667 1.00 0.00 H new ATOM 0 HA GLN A 44 80.256 -9.282 37.837 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.274 -7.767 38.391 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.862 -7.961 40.083 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.930 -10.523 39.665 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.656 -10.157 38.112 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.199 -11.520 39.941 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.460 -10.449 40.561 1.00 0.00 H new ATOM 683 N LEU A 45 79.391 -8.657 40.970 1.00 0.00 N ATOM 684 CA LEU A 45 78.715 -9.295 42.141 1.00 0.00 C ATOM 685 C LEU A 45 77.205 -9.272 41.947 1.00 0.00 C ATOM 686 O LEU A 45 76.444 -9.405 42.883 1.00 0.00 O ATOM 687 CB LEU A 45 79.079 -8.549 43.428 1.00 0.00 C ATOM 688 CG LEU A 45 80.585 -8.672 43.704 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.933 -7.842 44.946 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.966 -10.150 43.954 1.00 0.00 C ATOM 0 H LEU A 45 79.643 -7.677 41.096 1.00 0.00 H new ATOM 0 HA LEU A 45 79.051 -10.329 42.219 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.803 -7.498 43.339 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.514 -8.957 44.266 1.00 0.00 H new ATOM 0 HG LEU A 45 81.139 -8.307 42.839 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.001 -7.923 45.150 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.675 -6.798 44.770 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.371 -8.215 45.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.036 -10.222 44.148 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.415 -10.527 44.815 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.716 -10.744 43.075 1.00 0.00 H new ATOM 702 N LYS A 46 76.769 -9.117 40.737 1.00 0.00 N ATOM 703 CA LYS A 46 75.305 -9.105 40.467 1.00 0.00 C ATOM 704 C LYS A 46 74.822 -10.550 40.300 1.00 0.00 C ATOM 705 O LYS A 46 75.368 -11.314 39.527 1.00 0.00 O ATOM 706 CB LYS A 46 75.038 -8.331 39.179 1.00 0.00 C ATOM 707 CG LYS A 46 73.527 -8.246 38.939 1.00 0.00 C ATOM 708 CD LYS A 46 73.228 -7.350 37.729 1.00 0.00 C ATOM 709 CE LYS A 46 73.529 -8.088 36.418 1.00 0.00 C ATOM 710 NZ LYS A 46 72.799 -9.387 36.388 1.00 0.00 N ATOM 0 H LYS A 46 77.362 -8.997 39.916 1.00 0.00 H new ATOM 0 HA LYS A 46 74.777 -8.630 41.293 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.463 -7.330 39.249 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.524 -8.825 38.338 1.00 0.00 H new ATOM 0 HG2 LYS A 46 73.122 -9.244 38.770 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.033 -7.848 39.825 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.182 -7.043 37.747 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.828 -6.442 37.786 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.231 -7.474 35.568 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.601 -8.261 36.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.708 -9.711 35.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.327 -10.095 36.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.853 -9.263 36.801 1.00 0.00 H new ATOM 724 N GLY A 47 73.806 -10.931 41.032 1.00 0.00 N ATOM 725 CA GLY A 47 73.278 -12.330 40.946 1.00 0.00 C ATOM 726 C GLY A 47 73.090 -12.875 42.364 1.00 0.00 C ATOM 727 O GLY A 47 72.677 -12.163 43.257 1.00 0.00 O ATOM 0 H GLY A 47 73.314 -10.328 41.692 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.330 -12.343 40.408 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.970 -12.961 40.388 1.00 0.00 H new ATOM 731 N GLU A 48 73.393 -14.128 42.590 1.00 0.00 N ATOM 732 CA GLU A 48 73.230 -14.702 43.961 1.00 0.00 C ATOM 733 C GLU A 48 74.508 -14.464 44.771 1.00 0.00 C ATOM 734 O GLU A 48 75.606 -14.694 44.304 1.00 0.00 O ATOM 735 CB GLU A 48 72.954 -16.203 43.862 1.00 0.00 C ATOM 736 CG GLU A 48 71.662 -16.431 43.069 1.00 0.00 C ATOM 737 CD GLU A 48 71.930 -16.217 41.575 1.00 0.00 C ATOM 738 OE1 GLU A 48 73.089 -16.165 41.203 1.00 0.00 O ATOM 739 OE2 GLU A 48 70.970 -16.123 40.827 1.00 0.00 O ATOM 0 H GLU A 48 73.745 -14.777 41.887 1.00 0.00 H new ATOM 0 HA GLU A 48 72.391 -14.216 44.459 1.00 0.00 H new ATOM 0 HB2 GLU A 48 73.788 -16.706 43.372 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.863 -16.634 44.859 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.292 -17.442 43.241 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.887 -15.745 43.412 1.00 0.00 H new ATOM 746 N ALA A 49 74.370 -13.992 45.982 1.00 0.00 N ATOM 747 CA ALA A 49 75.568 -13.729 46.821 1.00 0.00 C ATOM 748 C ALA A 49 75.126 -13.159 48.173 1.00 0.00 C ATOM 749 O ALA A 49 75.392 -12.019 48.489 1.00 0.00 O ATOM 750 CB ALA A 49 76.476 -12.728 46.096 1.00 0.00 C ATOM 0 H ALA A 49 73.476 -13.778 46.424 1.00 0.00 H new ATOM 0 HA ALA A 49 76.117 -14.655 46.990 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.358 -12.529 46.705 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.784 -13.144 45.137 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.933 -11.798 45.930 1.00 0.00 H new ATOM 756 N MET A 50 74.449 -13.939 48.971 1.00 0.00 N ATOM 757 CA MET A 50 73.993 -13.434 50.297 1.00 0.00 C ATOM 758 C MET A 50 73.426 -14.595 51.117 1.00 0.00 C ATOM 759 O MET A 50 73.235 -15.686 50.616 1.00 0.00 O ATOM 760 CB MET A 50 72.906 -12.376 50.098 1.00 0.00 C ATOM 761 CG MET A 50 71.695 -13.007 49.414 1.00 0.00 C ATOM 762 SD MET A 50 70.532 -11.713 48.924 1.00 0.00 S ATOM 763 CE MET A 50 69.282 -12.808 48.216 1.00 0.00 C ATOM 0 H MET A 50 74.192 -14.904 48.762 1.00 0.00 H new ATOM 0 HA MET A 50 74.838 -12.991 50.825 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.614 -11.955 51.060 1.00 0.00 H new ATOM 0 HB3 MET A 50 73.290 -11.554 49.494 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.013 -13.574 48.539 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.208 -13.710 50.090 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.449 -12.214 47.841 1.00 0.00 H new ATOM 0 HE2 MET A 50 69.720 -13.378 47.396 1.00 0.00 H new ATOM 0 HE3 MET A 50 68.922 -13.494 48.983 1.00 0.00 H new ATOM 773 N HIS A 51 73.160 -14.367 52.376 1.00 0.00 N ATOM 774 CA HIS A 51 72.609 -15.450 53.232 1.00 0.00 C ATOM 775 C HIS A 51 73.506 -16.683 53.129 1.00 0.00 C ATOM 776 O HIS A 51 73.038 -17.786 52.926 1.00 0.00 O ATOM 777 CB HIS A 51 71.201 -15.812 52.767 1.00 0.00 C ATOM 778 CG HIS A 51 70.567 -16.727 53.779 1.00 0.00 C ATOM 779 ND1 HIS A 51 70.148 -16.278 55.026 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.278 -18.069 53.747 1.00 0.00 C ATOM 781 CE1 HIS A 51 69.629 -17.332 55.683 1.00 0.00 C ATOM 782 NE2 HIS A 51 69.684 -18.444 54.948 1.00 0.00 N ATOM 0 H HIS A 51 73.302 -13.473 52.847 1.00 0.00 H new ATOM 0 HA HIS A 51 72.571 -15.106 54.266 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.601 -14.910 52.648 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.241 -16.299 51.793 1.00 0.00 H new ATOM 0 HD2 HIS A 51 70.480 -18.731 52.918 1.00 0.00 H new ATOM 0 HE1 HIS A 51 69.219 -17.283 56.681 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.359 -19.374 55.211 1.00 0.00 H new ATOM 790 N GLY A 52 74.792 -16.509 53.264 1.00 0.00 N ATOM 791 CA GLY A 52 75.716 -17.677 53.172 1.00 0.00 C ATOM 792 C GLY A 52 75.776 -18.385 54.525 1.00 0.00 C ATOM 793 O GLY A 52 75.615 -19.585 54.615 1.00 0.00 O ATOM 0 H GLY A 52 75.243 -15.610 53.434 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.371 -18.368 52.403 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.712 -17.345 52.879 1.00 0.00 H new ATOM 797 N GLN A 53 76.003 -17.654 55.580 1.00 0.00 N ATOM 798 CA GLN A 53 76.069 -18.287 56.931 1.00 0.00 C ATOM 799 C GLN A 53 74.652 -18.452 57.486 1.00 0.00 C ATOM 800 O GLN A 53 73.696 -17.948 56.933 1.00 0.00 O ATOM 801 CB GLN A 53 76.898 -17.408 57.874 1.00 0.00 C ATOM 802 CG GLN A 53 78.318 -17.254 57.314 1.00 0.00 C ATOM 803 CD GLN A 53 79.172 -16.423 58.281 1.00 0.00 C ATOM 804 OE1 GLN A 53 78.701 -15.463 58.861 1.00 0.00 O ATOM 805 NE2 GLN A 53 80.420 -16.753 58.476 1.00 0.00 N ATOM 0 H GLN A 53 76.146 -16.644 55.567 1.00 0.00 H new ATOM 0 HA GLN A 53 76.541 -19.266 56.850 1.00 0.00 H new ATOM 0 HB2 GLN A 53 76.430 -16.429 57.982 1.00 0.00 H new ATOM 0 HB3 GLN A 53 76.934 -17.855 58.867 1.00 0.00 H new ATOM 0 HG2 GLN A 53 78.769 -18.235 57.168 1.00 0.00 H new ATOM 0 HG3 GLN A 53 78.283 -16.770 56.338 1.00 0.00 H new ATOM 0 HE21 GLN A 53 80.817 -17.558 57.991 1.00 0.00 H new ATOM 0 HE22 GLN A 53 80.998 -16.206 59.114 1.00 0.00 H new ATOM 814 N VAL A 54 74.515 -19.164 58.572 1.00 0.00 N ATOM 815 CA VAL A 54 73.163 -19.381 59.173 1.00 0.00 C ATOM 816 C VAL A 54 72.285 -20.144 58.175 1.00 0.00 C ATOM 817 O VAL A 54 72.533 -20.131 56.984 1.00 0.00 O ATOM 818 CB VAL A 54 72.516 -18.026 59.508 1.00 0.00 C ATOM 819 CG1 VAL A 54 71.379 -18.232 60.508 1.00 0.00 C ATOM 820 CG2 VAL A 54 73.565 -17.090 60.127 1.00 0.00 C ATOM 0 H VAL A 54 75.285 -19.608 59.073 1.00 0.00 H new ATOM 0 HA VAL A 54 73.261 -19.961 60.091 1.00 0.00 H new ATOM 0 HB VAL A 54 72.124 -17.583 58.592 1.00 0.00 H new ATOM 0 HG11 VAL A 54 70.923 -17.270 60.743 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.629 -18.893 60.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.773 -18.679 61.420 1.00 0.00 H new ATOM 0 HG21 VAL A 54 73.103 -16.131 60.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.959 -17.538 61.040 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.379 -16.936 59.418 1.00 0.00 H new ATOM 830 N ASP A 55 71.259 -20.812 58.647 1.00 0.00 N ATOM 831 CA ASP A 55 70.365 -21.576 57.728 1.00 0.00 C ATOM 832 C ASP A 55 69.303 -20.636 57.162 1.00 0.00 C ATOM 833 O ASP A 55 68.819 -20.911 56.076 1.00 0.00 O ATOM 834 CB ASP A 55 69.668 -22.701 58.498 1.00 0.00 C ATOM 835 CG ASP A 55 70.675 -23.795 58.869 1.00 0.00 C ATOM 836 OD1 ASP A 55 71.775 -23.769 58.338 1.00 0.00 O ATOM 837 OD2 ASP A 55 70.325 -24.648 59.667 1.00 0.00 O ATOM 838 OXT ASP A 55 68.996 -19.657 57.821 1.00 0.00 O ATOM 0 H ASP A 55 71.004 -20.859 59.633 1.00 0.00 H new ATOM 0 HA ASP A 55 70.961 -22.000 56.920 1.00 0.00 H new ATOM 0 HB2 ASP A 55 69.206 -22.301 59.401 1.00 0.00 H new ATOM 0 HB3 ASP A 55 68.868 -23.125 57.891 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.911 -14.340 21.485 1.00 0.00 N ATOM 845 CA PHE B 1 93.000 -14.161 22.650 1.00 0.00 C ATOM 846 C PHE B 1 92.448 -15.523 23.085 1.00 0.00 C ATOM 847 O PHE B 1 92.784 -16.037 24.130 1.00 0.00 O ATOM 848 CB PHE B 1 91.831 -13.250 22.257 1.00 0.00 C ATOM 849 CG PHE B 1 92.281 -11.805 22.185 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.042 -11.362 21.095 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.923 -10.901 23.198 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.440 -10.021 21.016 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.327 -9.564 23.117 1.00 0.00 C ATOM 854 CZ PHE B 1 93.084 -9.122 22.026 1.00 0.00 C ATOM 0 H1 PHE B 1 94.191 -13.408 21.117 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.759 -14.863 21.784 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.420 -14.874 20.739 1.00 0.00 H new ATOM 0 HA PHE B 1 93.556 -13.710 23.471 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.430 -13.560 21.292 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.025 -13.350 22.984 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.322 -12.055 20.315 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.336 -11.238 24.040 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.023 -9.681 20.173 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.054 -8.871 23.899 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.392 -8.089 21.964 1.00 0.00 H new ATOM 866 N LEU B 2 91.584 -16.096 22.294 1.00 0.00 N ATOM 867 CA LEU B 2 90.978 -17.413 22.658 1.00 0.00 C ATOM 868 C LEU B 2 92.016 -18.547 22.569 1.00 0.00 C ATOM 869 O LEU B 2 92.029 -19.446 23.390 1.00 0.00 O ATOM 870 CB LEU B 2 89.825 -17.719 21.695 1.00 0.00 C ATOM 871 CG LEU B 2 88.873 -16.515 21.604 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.753 -16.826 20.611 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.260 -16.226 22.978 1.00 0.00 C ATOM 0 H LEU B 2 91.268 -15.708 21.405 1.00 0.00 H new ATOM 0 HA LEU B 2 90.616 -17.352 23.684 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.220 -17.955 20.707 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.279 -18.598 22.038 1.00 0.00 H new ATOM 0 HG LEU B 2 89.434 -15.643 21.269 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.077 -15.973 20.546 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.182 -17.025 19.629 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.200 -17.702 20.949 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.587 -15.372 22.904 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.702 -17.099 23.318 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.054 -16.002 23.691 1.00 0.00 H new ATOM 885 N ASP B 3 92.867 -18.535 21.576 1.00 0.00 N ATOM 886 CA ASP B 3 93.869 -19.636 21.443 1.00 0.00 C ATOM 887 C ASP B 3 94.839 -19.626 22.630 1.00 0.00 C ATOM 888 O ASP B 3 95.149 -20.656 23.205 1.00 0.00 O ATOM 889 CB ASP B 3 94.664 -19.445 20.145 1.00 0.00 C ATOM 890 CG ASP B 3 93.739 -19.639 18.941 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.628 -20.105 19.140 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.156 -19.317 17.842 1.00 0.00 O ATOM 0 H ASP B 3 92.912 -17.815 20.855 1.00 0.00 H new ATOM 0 HA ASP B 3 93.341 -20.589 21.424 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.105 -18.448 20.120 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.487 -20.159 20.103 1.00 0.00 H new ATOM 897 N GLY B 4 95.321 -18.477 23.005 1.00 0.00 N ATOM 898 CA GLY B 4 96.274 -18.408 24.150 1.00 0.00 C ATOM 899 C GLY B 4 95.538 -18.725 25.452 1.00 0.00 C ATOM 900 O GLY B 4 95.993 -19.510 26.259 1.00 0.00 O ATOM 0 H GLY B 4 95.098 -17.582 22.570 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.089 -19.116 24.000 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.720 -17.415 24.205 1.00 0.00 H new ATOM 904 N ILE B 5 94.403 -18.119 25.654 1.00 0.00 N ATOM 905 CA ILE B 5 93.618 -18.368 26.898 1.00 0.00 C ATOM 906 C ILE B 5 93.255 -19.850 27.003 1.00 0.00 C ATOM 907 O ILE B 5 93.259 -20.421 28.076 1.00 0.00 O ATOM 908 CB ILE B 5 92.346 -17.523 26.861 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.732 -16.035 26.928 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.455 -17.881 28.055 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.551 -15.158 26.499 1.00 0.00 C ATOM 0 H ILE B 5 93.980 -17.455 25.005 1.00 0.00 H new ATOM 0 HA ILE B 5 94.217 -18.094 27.767 1.00 0.00 H new ATOM 0 HB ILE B 5 91.799 -17.719 25.939 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.036 -15.777 27.942 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.588 -15.845 26.281 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.548 -17.277 28.026 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.189 -18.937 28.007 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.993 -17.684 28.982 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.839 -14.108 26.552 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.267 -15.405 25.476 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.706 -15.336 27.164 1.00 0.00 H new ATOM 923 N ASP B 6 92.925 -20.478 25.911 1.00 0.00 N ATOM 924 CA ASP B 6 92.549 -21.916 25.975 1.00 0.00 C ATOM 925 C ASP B 6 93.684 -22.710 26.616 1.00 0.00 C ATOM 926 O ASP B 6 93.464 -23.514 27.501 1.00 0.00 O ATOM 927 CB ASP B 6 92.271 -22.430 24.557 1.00 0.00 C ATOM 928 CG ASP B 6 91.724 -23.857 24.610 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.897 -24.504 25.628 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.132 -24.275 23.628 1.00 0.00 O ATOM 0 H ASP B 6 92.899 -20.060 24.981 1.00 0.00 H new ATOM 0 HA ASP B 6 91.650 -22.039 26.579 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.554 -21.776 24.059 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.187 -22.406 23.967 1.00 0.00 H new ATOM 935 N LYS B 7 94.898 -22.474 26.207 1.00 0.00 N ATOM 936 CA LYS B 7 96.034 -23.200 26.836 1.00 0.00 C ATOM 937 C LYS B 7 96.220 -22.689 28.263 1.00 0.00 C ATOM 938 O LYS B 7 96.432 -23.447 29.186 1.00 0.00 O ATOM 939 CB LYS B 7 97.322 -22.952 26.048 1.00 0.00 C ATOM 940 CG LYS B 7 97.188 -23.517 24.637 1.00 0.00 C ATOM 941 CD LYS B 7 98.546 -23.461 23.938 1.00 0.00 C ATOM 942 CE LYS B 7 98.398 -23.932 22.490 1.00 0.00 C ATOM 943 NZ LYS B 7 97.994 -25.363 22.473 1.00 0.00 N ATOM 0 H LYS B 7 95.152 -21.815 25.471 1.00 0.00 H new ATOM 0 HA LYS B 7 95.817 -24.268 26.840 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.530 -21.883 26.002 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.165 -23.419 26.557 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.829 -24.546 24.678 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.452 -22.945 24.072 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.937 -22.444 23.962 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.263 -24.091 24.464 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.653 -23.327 21.974 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.339 -23.802 21.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.169 -25.762 21.529 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.548 -25.888 23.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.982 -25.441 22.699 1.00 0.00 H new ATOM 957 N ALA B 8 96.137 -21.400 28.451 1.00 0.00 N ATOM 958 CA ALA B 8 96.305 -20.837 29.820 1.00 0.00 C ATOM 959 C ALA B 8 95.159 -21.308 30.708 1.00 0.00 C ATOM 960 O ALA B 8 95.339 -21.585 31.878 1.00 0.00 O ATOM 961 CB ALA B 8 96.307 -19.304 29.750 1.00 0.00 C ATOM 0 H ALA B 8 95.960 -20.714 27.717 1.00 0.00 H new ATOM 0 HA ALA B 8 97.251 -21.179 30.239 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.430 -18.894 30.753 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.130 -18.970 29.118 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.363 -18.958 29.330 1.00 0.00 H new ATOM 967 N GLN B 9 93.977 -21.392 30.166 1.00 0.00 N ATOM 968 CA GLN B 9 92.823 -21.829 30.987 1.00 0.00 C ATOM 969 C GLN B 9 93.136 -23.190 31.616 1.00 0.00 C ATOM 970 O GLN B 9 92.870 -23.418 32.780 1.00 0.00 O ATOM 971 CB GLN B 9 91.583 -21.939 30.094 1.00 0.00 C ATOM 972 CG GLN B 9 90.341 -22.135 30.963 1.00 0.00 C ATOM 973 CD GLN B 9 89.100 -22.200 30.071 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.134 -21.773 28.934 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.999 -22.720 30.542 1.00 0.00 N ATOM 0 H GLN B 9 93.764 -21.177 29.192 1.00 0.00 H new ATOM 0 HA GLN B 9 92.634 -21.104 31.778 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.477 -21.039 29.489 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.692 -22.776 29.404 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.432 -23.052 31.545 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.248 -21.314 31.674 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.972 -23.078 31.497 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.166 -22.768 29.955 1.00 0.00 H new ATOM 984 N GLU B 10 93.730 -24.087 30.872 1.00 0.00 N ATOM 985 CA GLU B 10 94.071 -25.415 31.461 1.00 0.00 C ATOM 986 C GLU B 10 95.041 -25.198 32.623 1.00 0.00 C ATOM 987 O GLU B 10 94.940 -25.826 33.659 1.00 0.00 O ATOM 988 CB GLU B 10 94.743 -26.299 30.404 1.00 0.00 C ATOM 989 CG GLU B 10 94.876 -27.731 30.938 1.00 0.00 C ATOM 990 CD GLU B 10 95.657 -28.583 29.935 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.019 -28.056 28.896 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.883 -29.747 30.227 1.00 0.00 O ATOM 0 H GLU B 10 93.991 -23.960 29.894 1.00 0.00 H new ATOM 0 HA GLU B 10 93.162 -25.905 31.810 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.155 -26.296 29.486 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.726 -25.901 30.154 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.387 -27.725 31.901 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.888 -28.161 31.104 1.00 0.00 H new ATOM 999 N GLU B 11 95.972 -24.298 32.464 1.00 0.00 N ATOM 1000 CA GLU B 11 96.938 -24.023 33.562 1.00 0.00 C ATOM 1001 C GLU B 11 96.169 -23.526 34.785 1.00 0.00 C ATOM 1002 O GLU B 11 96.435 -23.920 35.903 1.00 0.00 O ATOM 1003 CB GLU B 11 97.925 -22.951 33.094 1.00 0.00 C ATOM 1004 CG GLU B 11 99.020 -22.738 34.148 1.00 0.00 C ATOM 1005 CD GLU B 11 98.493 -21.860 35.288 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.575 -21.090 35.050 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.028 -21.963 36.379 1.00 0.00 O ATOM 0 H GLU B 11 96.105 -23.741 31.620 1.00 0.00 H new ATOM 0 HA GLU B 11 97.485 -24.929 33.824 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.375 -23.250 32.147 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.397 -22.015 32.914 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.348 -23.700 34.542 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.890 -22.268 33.689 1.00 0.00 H new ATOM 1014 N HIS B 12 95.209 -22.666 34.578 1.00 0.00 N ATOM 1015 CA HIS B 12 94.419 -22.154 35.723 1.00 0.00 C ATOM 1016 C HIS B 12 93.708 -23.315 36.422 1.00 0.00 C ATOM 1017 O HIS B 12 93.734 -23.434 37.626 1.00 0.00 O ATOM 1018 CB HIS B 12 93.370 -21.150 35.238 1.00 0.00 C ATOM 1019 CG HIS B 12 92.660 -20.614 36.445 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.824 -19.296 36.891 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.871 -21.234 37.378 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.154 -19.181 38.064 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.575 -20.332 38.375 1.00 0.00 N ATOM 0 H HIS B 12 94.941 -22.299 33.665 1.00 0.00 H new ATOM 0 HA HIS B 12 95.098 -21.661 36.419 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.843 -20.341 34.682 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.664 -21.631 34.561 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.350 -18.560 36.420 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.537 -22.260 37.338 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.100 -18.281 38.659 1.00 0.00 H new ATOM 1031 N GLU B 13 93.052 -24.162 35.681 1.00 0.00 N ATOM 1032 CA GLU B 13 92.327 -25.300 36.319 1.00 0.00 C ATOM 1033 C GLU B 13 93.295 -26.195 37.097 1.00 0.00 C ATOM 1034 O GLU B 13 92.985 -26.671 38.172 1.00 0.00 O ATOM 1035 CB GLU B 13 91.625 -26.133 35.235 1.00 0.00 C ATOM 1036 CG GLU B 13 90.731 -27.193 35.893 1.00 0.00 C ATOM 1037 CD GLU B 13 89.540 -26.522 36.583 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.213 -25.407 36.215 1.00 0.00 O ATOM 1039 OE2 GLU B 13 88.973 -27.144 37.467 1.00 0.00 O ATOM 0 H GLU B 13 92.985 -24.118 34.664 1.00 0.00 H new ATOM 0 HA GLU B 13 91.591 -24.895 37.014 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.026 -25.484 34.596 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.366 -26.614 34.596 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.376 -27.898 35.141 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.307 -27.766 36.620 1.00 0.00 H new ATOM 1046 N LYS B 14 94.446 -26.455 36.555 1.00 0.00 N ATOM 1047 CA LYS B 14 95.413 -27.350 37.253 1.00 0.00 C ATOM 1048 C LYS B 14 95.851 -26.786 38.608 1.00 0.00 C ATOM 1049 O LYS B 14 96.061 -27.532 39.546 1.00 0.00 O ATOM 1050 CB LYS B 14 96.654 -27.556 36.375 1.00 0.00 C ATOM 1051 CG LYS B 14 96.283 -28.388 35.139 1.00 0.00 C ATOM 1052 CD LYS B 14 97.489 -28.493 34.188 1.00 0.00 C ATOM 1053 CE LYS B 14 98.464 -29.568 34.677 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.776 -30.888 34.722 1.00 0.00 N ATOM 0 H LYS B 14 94.763 -26.088 35.658 1.00 0.00 H new ATOM 0 HA LYS B 14 94.906 -28.298 37.430 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.058 -26.591 36.068 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.434 -28.061 36.944 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.964 -29.384 35.445 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.441 -27.928 34.621 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.147 -28.735 33.182 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.998 -27.531 34.129 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.327 -29.619 34.013 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.839 -29.309 35.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.385 -31.612 34.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.581 -31.144 35.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 96.881 -30.831 34.196 1.00 0.00 H new ATOM 1068 N TYR B 15 96.054 -25.492 38.711 1.00 0.00 N ATOM 1069 CA TYR B 15 96.561 -24.914 40.006 1.00 0.00 C ATOM 1070 C TYR B 15 95.777 -23.671 40.454 1.00 0.00 C ATOM 1071 O TYR B 15 96.083 -23.089 41.474 1.00 0.00 O ATOM 1072 CB TYR B 15 98.019 -24.508 39.780 1.00 0.00 C ATOM 1073 CG TYR B 15 98.750 -25.628 39.077 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.252 -26.708 39.820 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.938 -25.594 37.680 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.936 -27.748 39.176 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.625 -26.637 37.041 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.123 -27.712 37.790 1.00 0.00 C ATOM 1079 OH TYR B 15 100.803 -28.736 37.167 1.00 0.00 O ATOM 0 H TYR B 15 95.894 -24.815 37.965 1.00 0.00 H new ATOM 0 HA TYR B 15 96.446 -25.666 40.786 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.066 -23.597 39.183 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.499 -24.289 40.734 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.111 -26.738 40.890 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.554 -24.766 37.103 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.319 -28.578 39.750 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.770 -26.612 35.971 1.00 0.00 H new ATOM 0 HH TYR B 15 100.846 -28.562 36.204 1.00 0.00 H new ATOM 1089 N HIS B 16 94.810 -23.222 39.706 1.00 0.00 N ATOM 1090 CA HIS B 16 94.073 -21.981 40.113 1.00 0.00 C ATOM 1091 C HIS B 16 95.114 -20.894 40.359 1.00 0.00 C ATOM 1092 O HIS B 16 95.057 -20.157 41.327 1.00 0.00 O ATOM 1093 CB HIS B 16 93.248 -22.198 41.395 1.00 0.00 C ATOM 1094 CG HIS B 16 92.049 -23.074 41.132 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.851 -22.602 40.604 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.811 -24.410 41.383 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.964 -23.598 40.555 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.498 -24.729 41.020 1.00 0.00 N ATOM 0 H HIS B 16 94.495 -23.652 38.836 1.00 0.00 H new ATOM 0 HA HIS B 16 93.375 -21.702 39.323 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.875 -22.656 42.160 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.919 -21.235 41.786 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.529 -25.103 41.796 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.952 -23.502 40.189 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.043 -25.639 41.095 1.00 0.00 H new ATOM 1106 N SER B 17 96.086 -20.819 39.499 1.00 0.00 N ATOM 1107 CA SER B 17 97.170 -19.820 39.672 1.00 0.00 C ATOM 1108 C SER B 17 96.604 -18.394 39.638 1.00 0.00 C ATOM 1109 O SER B 17 95.556 -18.140 39.080 1.00 0.00 O ATOM 1110 CB SER B 17 98.193 -20.002 38.553 1.00 0.00 C ATOM 1111 OG SER B 17 97.625 -19.587 37.318 1.00 0.00 O ATOM 0 H SER B 17 96.176 -21.414 38.675 1.00 0.00 H new ATOM 0 HA SER B 17 97.647 -19.972 40.640 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.089 -19.420 38.767 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.499 -21.046 38.492 1.00 0.00 H new ATOM 0 HG SER B 17 96.922 -20.217 37.053 1.00 0.00 H new ATOM 1117 N ASN B 18 97.297 -17.461 40.235 1.00 0.00 N ATOM 1118 CA ASN B 18 96.811 -16.046 40.247 1.00 0.00 C ATOM 1119 C ASN B 18 96.977 -15.440 38.857 1.00 0.00 C ATOM 1120 O ASN B 18 97.752 -15.913 38.051 1.00 0.00 O ATOM 1121 CB ASN B 18 97.638 -15.229 41.246 1.00 0.00 C ATOM 1122 CG ASN B 18 97.492 -15.823 42.649 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.586 -16.587 42.909 1.00 0.00 O ATOM 1124 ND2 ASN B 18 98.349 -15.497 43.573 1.00 0.00 N ATOM 0 H ASN B 18 98.182 -17.617 40.717 1.00 0.00 H new ATOM 0 HA ASN B 18 95.760 -16.029 40.536 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.687 -15.228 40.949 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.305 -14.191 41.244 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.258 -15.884 44.512 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.112 -14.855 43.358 1.00 0.00 H new ATOM 1131 N TRP B 19 96.264 -14.389 38.568 1.00 0.00 N ATOM 1132 CA TRP B 19 96.401 -13.761 37.227 1.00 0.00 C ATOM 1133 C TRP B 19 97.860 -13.358 37.001 1.00 0.00 C ATOM 1134 O TRP B 19 98.335 -13.319 35.879 1.00 0.00 O ATOM 1135 CB TRP B 19 95.475 -12.536 37.112 1.00 0.00 C ATOM 1136 CG TRP B 19 96.054 -11.357 37.832 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.676 -10.933 39.058 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.098 -10.443 37.385 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.420 -9.817 39.393 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.313 -9.476 38.396 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.872 -10.362 36.215 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.262 -8.461 38.252 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.831 -9.344 36.065 1.00 0.00 C ATOM 1144 CH2 TRP B 19 99.026 -8.394 37.083 1.00 0.00 C ATOM 0 H TRP B 19 95.598 -13.941 39.197 1.00 0.00 H new ATOM 0 HA TRP B 19 96.108 -14.479 36.461 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.324 -12.287 36.062 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.496 -12.775 37.527 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.917 -11.391 39.675 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.321 -9.307 40.271 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.730 -11.086 35.426 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.404 -7.734 39.038 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.421 -9.292 35.162 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.764 -7.615 36.962 1.00 0.00 H new ATOM 1155 N ARG B 20 98.577 -13.054 38.050 1.00 0.00 N ATOM 1156 CA ARG B 20 99.996 -12.645 37.879 1.00 0.00 C ATOM 1157 C ARG B 20 100.783 -13.800 37.267 1.00 0.00 C ATOM 1158 O ARG B 20 101.618 -13.611 36.407 1.00 0.00 O ATOM 1159 CB ARG B 20 100.610 -12.317 39.246 1.00 0.00 C ATOM 1160 CG ARG B 20 99.798 -11.220 39.955 1.00 0.00 C ATOM 1161 CD ARG B 20 100.532 -10.764 41.235 1.00 0.00 C ATOM 1162 NE ARG B 20 99.547 -10.477 42.324 1.00 0.00 N ATOM 1163 CZ ARG B 20 98.485 -9.739 42.114 1.00 0.00 C ATOM 1164 NH1 ARG B 20 98.322 -9.120 40.981 1.00 0.00 N ATOM 1165 NH2 ARG B 20 97.606 -9.587 43.069 1.00 0.00 N ATOM 0 H ARG B 20 98.241 -13.072 39.013 1.00 0.00 H new ATOM 0 HA ARG B 20 100.037 -11.769 37.231 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.636 -13.215 39.864 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.641 -11.988 39.118 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.655 -10.372 39.286 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.807 -11.596 40.209 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.227 -11.538 41.559 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.123 -9.872 41.025 1.00 0.00 H new ATOM 0 HE ARG B 20 99.706 -10.866 43.253 1.00 0.00 H new ATOM 0 HH11 ARG B 20 99.025 -9.207 40.247 1.00 0.00 H new ATOM 0 HH12 ARG B 20 97.492 -8.548 40.827 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.749 -10.041 43.971 1.00 0.00 H new ATOM 0 HH22 ARG B 20 96.777 -9.014 42.913 1.00 0.00 H new ATOM 1179 N ALA B 21 100.527 -14.993 37.713 1.00 0.00 N ATOM 1180 CA ALA B 21 101.263 -16.167 37.172 1.00 0.00 C ATOM 1181 C ALA B 21 100.855 -16.419 35.718 1.00 0.00 C ATOM 1182 O ALA B 21 101.689 -16.590 34.852 1.00 0.00 O ATOM 1183 CB ALA B 21 100.939 -17.396 38.037 1.00 0.00 C ATOM 0 H ALA B 21 99.837 -15.209 38.432 1.00 0.00 H new ATOM 0 HA ALA B 21 102.336 -15.974 37.198 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.473 -18.264 37.650 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.248 -17.209 39.065 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.866 -17.588 38.009 1.00 0.00 H new ATOM 1189 N MET B 22 99.581 -16.450 35.440 1.00 0.00 N ATOM 1190 CA MET B 22 99.142 -16.698 34.038 1.00 0.00 C ATOM 1191 C MET B 22 99.676 -15.594 33.130 1.00 0.00 C ATOM 1192 O MET B 22 100.098 -15.843 32.020 1.00 0.00 O ATOM 1193 CB MET B 22 97.621 -16.714 33.975 1.00 0.00 C ATOM 1194 CG MET B 22 97.097 -17.959 34.700 1.00 0.00 C ATOM 1195 SD MET B 22 95.311 -18.103 34.447 1.00 0.00 S ATOM 1196 CE MET B 22 94.819 -16.684 35.459 1.00 0.00 C ATOM 0 H MET B 22 98.830 -16.315 36.117 1.00 0.00 H new ATOM 0 HA MET B 22 99.530 -17.661 33.705 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.217 -15.813 34.437 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.289 -16.717 32.937 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.601 -18.850 34.324 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.319 -17.892 35.765 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.753 -16.746 35.679 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.383 -16.689 36.392 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.024 -15.761 34.916 1.00 0.00 H new ATOM 1206 N ALA B 23 99.662 -14.372 33.587 1.00 0.00 N ATOM 1207 CA ALA B 23 100.173 -13.268 32.731 1.00 0.00 C ATOM 1208 C ALA B 23 101.642 -13.524 32.385 1.00 0.00 C ATOM 1209 O ALA B 23 102.043 -13.448 31.240 1.00 0.00 O ATOM 1210 CB ALA B 23 100.038 -11.940 33.478 1.00 0.00 C ATOM 0 H ALA B 23 99.322 -14.093 34.507 1.00 0.00 H new ATOM 0 HA ALA B 23 99.592 -13.223 31.810 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.412 -11.130 32.851 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.989 -11.761 33.715 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.616 -11.981 34.401 1.00 0.00 H new ATOM 1216 N SER B 24 102.446 -13.833 33.367 1.00 0.00 N ATOM 1217 CA SER B 24 103.887 -14.101 33.095 1.00 0.00 C ATOM 1218 C SER B 24 104.047 -15.421 32.328 1.00 0.00 C ATOM 1219 O SER B 24 104.936 -15.572 31.509 1.00 0.00 O ATOM 1220 CB SER B 24 104.649 -14.207 34.415 1.00 0.00 C ATOM 1221 OG SER B 24 104.473 -13.008 35.152 1.00 0.00 O ATOM 0 H SER B 24 102.167 -13.911 34.345 1.00 0.00 H new ATOM 0 HA SER B 24 104.285 -13.281 32.497 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.286 -15.059 34.991 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.708 -14.379 34.225 1.00 0.00 H new ATOM 0 HG SER B 24 103.616 -13.039 35.627 1.00 0.00 H new ATOM 1227 N ASP B 25 103.216 -16.392 32.605 1.00 0.00 N ATOM 1228 CA ASP B 25 103.353 -17.704 31.909 1.00 0.00 C ATOM 1229 C ASP B 25 103.175 -17.530 30.399 1.00 0.00 C ATOM 1230 O ASP B 25 103.870 -18.145 29.614 1.00 0.00 O ATOM 1231 CB ASP B 25 102.312 -18.684 32.440 1.00 0.00 C ATOM 1232 CG ASP B 25 102.647 -19.053 33.888 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.717 -18.684 34.345 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.825 -19.698 34.518 1.00 0.00 O ATOM 0 H ASP B 25 102.453 -16.333 33.279 1.00 0.00 H new ATOM 0 HA ASP B 25 104.351 -18.097 32.102 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.318 -18.239 32.388 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.292 -19.581 31.821 1.00 0.00 H new ATOM 1239 N PHE B 26 102.247 -16.703 29.981 1.00 0.00 N ATOM 1240 CA PHE B 26 102.022 -16.489 28.511 1.00 0.00 C ATOM 1241 C PHE B 26 102.404 -15.056 28.131 1.00 0.00 C ATOM 1242 O PHE B 26 102.333 -14.673 26.982 1.00 0.00 O ATOM 1243 CB PHE B 26 100.548 -16.745 28.193 1.00 0.00 C ATOM 1244 CG PHE B 26 100.228 -18.191 28.490 1.00 0.00 C ATOM 1245 CD1 PHE B 26 99.802 -18.560 29.769 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.362 -19.163 27.490 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.511 -19.901 30.054 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.069 -20.503 27.773 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.645 -20.873 29.056 1.00 0.00 C ATOM 0 H PHE B 26 101.634 -16.165 30.593 1.00 0.00 H new ATOM 0 HA PHE B 26 102.642 -17.177 27.937 1.00 0.00 H new ATOM 0 HB2 PHE B 26 99.914 -16.088 28.789 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.344 -16.521 27.146 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.697 -17.810 30.539 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.691 -18.879 26.501 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.183 -20.184 31.043 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.170 -21.252 27.001 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.422 -21.907 29.275 1.00 0.00 H new ATOM 1259 N ASN B 27 102.822 -14.269 29.087 1.00 0.00 N ATOM 1260 CA ASN B 27 103.230 -12.864 28.784 1.00 0.00 C ATOM 1261 C ASN B 27 102.071 -12.100 28.136 1.00 0.00 C ATOM 1262 O ASN B 27 102.241 -11.450 27.122 1.00 0.00 O ATOM 1263 CB ASN B 27 104.435 -12.882 27.837 1.00 0.00 C ATOM 1264 CG ASN B 27 105.051 -11.488 27.752 1.00 0.00 C ATOM 1265 OD1 ASN B 27 104.754 -10.627 28.553 1.00 0.00 O ATOM 1266 ND2 ASN B 27 105.911 -11.232 26.802 1.00 0.00 N ATOM 0 H ASN B 27 102.899 -14.539 30.068 1.00 0.00 H new ATOM 0 HA ASN B 27 103.500 -12.361 29.713 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.178 -13.596 28.193 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.125 -13.213 26.846 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.334 -10.306 26.733 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.159 -11.958 26.130 1.00 0.00 H new ATOM 1273 N LEU B 28 100.899 -12.161 28.724 1.00 0.00 N ATOM 1274 CA LEU B 28 99.720 -11.426 28.163 1.00 0.00 C ATOM 1275 C LEU B 28 99.298 -10.322 29.151 1.00 0.00 C ATOM 1276 O LEU B 28 99.455 -10.480 30.343 1.00 0.00 O ATOM 1277 CB LEU B 28 98.553 -12.403 27.999 1.00 0.00 C ATOM 1278 CG LEU B 28 98.930 -13.518 27.007 1.00 0.00 C ATOM 1279 CD1 LEU B 28 97.984 -14.711 27.187 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.819 -13.008 25.560 1.00 0.00 C ATOM 0 H LEU B 28 100.708 -12.692 29.574 1.00 0.00 H new ATOM 0 HA LEU B 28 99.984 -10.989 27.200 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.294 -12.837 28.965 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.671 -11.871 27.642 1.00 0.00 H new ATOM 0 HG LEU B 28 99.958 -13.824 27.204 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.254 -15.499 26.483 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.067 -15.091 28.205 1.00 0.00 H new ATOM 0 HD13 LEU B 28 96.958 -14.393 27.000 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.089 -13.808 24.871 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.795 -12.690 25.364 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.494 -12.164 25.419 1.00 0.00 H new ATOM 1292 N PRO B 29 98.747 -9.221 28.689 1.00 0.00 N ATOM 1293 CA PRO B 29 98.302 -8.134 29.607 1.00 0.00 C ATOM 1294 C PRO B 29 97.435 -8.687 30.765 1.00 0.00 C ATOM 1295 O PRO B 29 96.687 -9.625 30.576 1.00 0.00 O ATOM 1296 CB PRO B 29 97.461 -7.216 28.708 1.00 0.00 C ATOM 1297 CG PRO B 29 97.989 -7.432 27.328 1.00 0.00 C ATOM 1298 CD PRO B 29 98.504 -8.875 27.276 1.00 0.00 C ATOM 0 HA PRO B 29 99.143 -7.626 30.079 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.402 -7.467 28.769 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.559 -6.173 29.009 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.208 -7.273 26.585 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.790 -6.727 27.105 1.00 0.00 H new ATOM 0 HD2 PRO B 29 97.772 -9.543 26.822 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.416 -8.952 26.684 1.00 0.00 H new ATOM 1306 N PRO B 30 97.521 -8.121 31.947 1.00 0.00 N ATOM 1307 CA PRO B 30 96.715 -8.597 33.105 1.00 0.00 C ATOM 1308 C PRO B 30 95.260 -8.866 32.701 1.00 0.00 C ATOM 1309 O PRO B 30 94.619 -9.783 33.169 1.00 0.00 O ATOM 1310 CB PRO B 30 96.777 -7.433 34.106 1.00 0.00 C ATOM 1311 CG PRO B 30 98.021 -6.665 33.772 1.00 0.00 C ATOM 1312 CD PRO B 30 98.383 -6.984 32.309 1.00 0.00 C ATOM 0 HA PRO B 30 97.096 -9.534 33.510 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.894 -6.800 34.023 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.810 -7.802 35.131 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.858 -5.595 33.902 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.836 -6.946 34.439 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.200 -6.127 31.661 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.438 -7.240 32.209 1.00 0.00 H new ATOM 1320 N VAL B 31 94.743 -8.047 31.843 1.00 0.00 N ATOM 1321 CA VAL B 31 93.327 -8.211 31.410 1.00 0.00 C ATOM 1322 C VAL B 31 93.083 -9.647 30.948 1.00 0.00 C ATOM 1323 O VAL B 31 92.111 -10.267 31.329 1.00 0.00 O ATOM 1324 CB VAL B 31 93.048 -7.234 30.250 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.598 -7.368 29.739 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.285 -5.793 30.737 1.00 0.00 C ATOM 0 H VAL B 31 95.238 -7.264 31.416 1.00 0.00 H new ATOM 0 HA VAL B 31 92.660 -7.997 32.245 1.00 0.00 H new ATOM 0 HB VAL B 31 93.722 -7.474 29.428 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.434 -6.666 28.922 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.430 -8.385 29.383 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.904 -7.148 30.551 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.090 -5.097 29.922 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.615 -5.575 31.569 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.319 -5.685 31.066 1.00 0.00 H new ATOM 1336 N VAL B 32 93.931 -10.184 30.129 1.00 0.00 N ATOM 1337 CA VAL B 32 93.686 -11.576 29.671 1.00 0.00 C ATOM 1338 C VAL B 32 93.798 -12.529 30.855 1.00 0.00 C ATOM 1339 O VAL B 32 92.946 -13.369 31.076 1.00 0.00 O ATOM 1340 CB VAL B 32 94.709 -11.969 28.609 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.354 -13.350 28.043 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.686 -10.933 27.487 1.00 0.00 C ATOM 0 H VAL B 32 94.769 -9.733 29.761 1.00 0.00 H new ATOM 0 HA VAL B 32 92.686 -11.636 29.242 1.00 0.00 H new ATOM 0 HB VAL B 32 95.704 -12.008 29.052 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.084 -13.631 27.284 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.364 -14.086 28.847 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.361 -13.315 27.595 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.415 -11.207 26.724 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.691 -10.899 27.043 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.936 -9.952 27.892 1.00 0.00 H new ATOM 1352 N ALA B 33 94.847 -12.411 31.619 1.00 0.00 N ATOM 1353 CA ALA B 33 95.016 -13.314 32.790 1.00 0.00 C ATOM 1354 C ALA B 33 93.902 -13.052 33.809 1.00 0.00 C ATOM 1355 O ALA B 33 93.293 -13.969 34.329 1.00 0.00 O ATOM 1356 CB ALA B 33 96.378 -13.053 33.440 1.00 0.00 C ATOM 0 H ALA B 33 95.594 -11.729 31.483 1.00 0.00 H new ATOM 0 HA ALA B 33 94.963 -14.351 32.459 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.504 -13.713 34.298 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.170 -13.244 32.715 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.431 -12.015 33.770 1.00 0.00 H new ATOM 1362 N LYS B 34 93.626 -11.806 34.106 1.00 0.00 N ATOM 1363 CA LYS B 34 92.553 -11.516 35.089 1.00 0.00 C ATOM 1364 C LYS B 34 91.206 -12.025 34.572 1.00 0.00 C ATOM 1365 O LYS B 34 90.380 -12.485 35.335 1.00 0.00 O ATOM 1366 CB LYS B 34 92.458 -10.009 35.345 1.00 0.00 C ATOM 1367 CG LYS B 34 93.688 -9.531 36.120 1.00 0.00 C ATOM 1368 CD LYS B 34 93.461 -8.088 36.585 1.00 0.00 C ATOM 1369 CE LYS B 34 93.219 -7.166 35.375 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.753 -7.088 35.099 1.00 0.00 N ATOM 0 H LYS B 34 94.095 -10.990 33.712 1.00 0.00 H new ATOM 0 HA LYS B 34 92.798 -12.026 36.021 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.385 -9.475 34.398 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.553 -9.784 35.909 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.866 -10.179 36.978 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.575 -9.587 35.489 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.605 -8.047 37.259 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.327 -7.740 37.148 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.616 -6.171 35.576 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.745 -7.549 34.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.496 -6.109 34.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.516 -7.711 34.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 91.224 -7.390 35.942 1.00 0.00 H new ATOM 1384 N GLU B 35 90.963 -11.936 33.288 1.00 0.00 N ATOM 1385 CA GLU B 35 89.649 -12.402 32.760 1.00 0.00 C ATOM 1386 C GLU B 35 89.472 -13.889 33.070 1.00 0.00 C ATOM 1387 O GLU B 35 88.389 -14.336 33.398 1.00 0.00 O ATOM 1388 CB GLU B 35 89.571 -12.174 31.247 1.00 0.00 C ATOM 1389 CG GLU B 35 88.108 -12.270 30.782 1.00 0.00 C ATOM 1390 CD GLU B 35 87.667 -13.734 30.763 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.377 -14.536 30.179 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.624 -14.026 31.325 1.00 0.00 O ATOM 0 H GLU B 35 91.610 -11.565 32.592 1.00 0.00 H new ATOM 0 HA GLU B 35 88.853 -11.833 33.240 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.979 -11.195 30.996 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.177 -12.915 30.726 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.466 -11.696 31.450 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.003 -11.836 29.788 1.00 0.00 H new ATOM 1399 N ILE B 36 90.522 -14.663 32.987 1.00 0.00 N ATOM 1400 CA ILE B 36 90.386 -16.108 33.299 1.00 0.00 C ATOM 1401 C ILE B 36 89.899 -16.238 34.742 1.00 0.00 C ATOM 1402 O ILE B 36 89.068 -17.068 35.055 1.00 0.00 O ATOM 1403 CB ILE B 36 91.739 -16.805 33.127 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.150 -16.713 31.652 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.631 -18.283 33.541 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.509 -17.386 31.442 1.00 0.00 C ATOM 0 H ILE B 36 91.457 -14.357 32.719 1.00 0.00 H new ATOM 0 HA ILE B 36 89.672 -16.579 32.623 1.00 0.00 H new ATOM 0 HB ILE B 36 92.484 -16.321 33.758 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.397 -17.192 31.026 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.201 -15.668 31.345 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.599 -18.768 33.414 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.327 -18.347 34.586 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.890 -18.783 32.916 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.792 -17.315 30.392 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.260 -16.887 32.054 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.444 -18.435 31.730 1.00 0.00 H new ATOM 1418 N VAL B 37 90.401 -15.420 35.625 1.00 0.00 N ATOM 1419 CA VAL B 37 89.948 -15.504 37.037 1.00 0.00 C ATOM 1420 C VAL B 37 88.454 -15.186 37.086 1.00 0.00 C ATOM 1421 O VAL B 37 87.707 -15.789 37.828 1.00 0.00 O ATOM 1422 CB VAL B 37 90.730 -14.500 37.896 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.278 -14.602 39.364 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.229 -14.807 37.795 1.00 0.00 C ATOM 0 H VAL B 37 91.100 -14.703 35.430 1.00 0.00 H new ATOM 0 HA VAL B 37 90.126 -16.506 37.429 1.00 0.00 H new ATOM 0 HB VAL B 37 90.538 -13.489 37.536 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.837 -13.887 39.967 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.213 -14.381 39.433 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.463 -15.611 39.733 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.788 -14.096 38.404 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.418 -15.819 38.153 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.548 -14.725 36.756 1.00 0.00 H new ATOM 1434 N ALA B 38 88.010 -14.250 36.289 1.00 0.00 N ATOM 1435 CA ALA B 38 86.560 -13.901 36.276 1.00 0.00 C ATOM 1436 C ALA B 38 85.748 -15.140 35.881 1.00 0.00 C ATOM 1437 O ALA B 38 84.656 -15.356 36.359 1.00 0.00 O ATOM 1438 CB ALA B 38 86.316 -12.780 35.259 1.00 0.00 C ATOM 0 H ALA B 38 88.590 -13.712 35.646 1.00 0.00 H new ATOM 0 HA ALA B 38 86.253 -13.564 37.266 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.257 -12.523 35.248 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.899 -11.902 35.538 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.618 -13.116 34.267 1.00 0.00 H new ATOM 1444 N SER B 39 86.267 -15.955 35.007 1.00 0.00 N ATOM 1445 CA SER B 39 85.509 -17.172 34.588 1.00 0.00 C ATOM 1446 C SER B 39 85.572 -18.231 35.694 1.00 0.00 C ATOM 1447 O SER B 39 84.714 -19.087 35.793 1.00 0.00 O ATOM 1448 CB SER B 39 86.123 -17.744 33.309 1.00 0.00 C ATOM 1449 OG SER B 39 86.070 -16.767 32.281 1.00 0.00 O ATOM 0 H SER B 39 87.178 -15.835 34.565 1.00 0.00 H new ATOM 0 HA SER B 39 84.470 -16.898 34.406 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.156 -18.041 33.490 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.583 -18.640 33.002 1.00 0.00 H new ATOM 0 HG SER B 39 86.465 -17.132 31.462 1.00 0.00 H new ATOM 1455 N CYS B 40 86.579 -18.186 36.528 1.00 0.00 N ATOM 1456 CA CYS B 40 86.688 -19.199 37.620 1.00 0.00 C ATOM 1457 C CYS B 40 85.822 -18.778 38.806 1.00 0.00 C ATOM 1458 O CYS B 40 86.148 -17.859 39.533 1.00 0.00 O ATOM 1459 CB CYS B 40 88.148 -19.313 38.072 1.00 0.00 C ATOM 1460 SG CYS B 40 88.258 -20.489 39.447 1.00 0.00 S ATOM 0 H CYS B 40 87.328 -17.494 36.500 1.00 0.00 H new ATOM 0 HA CYS B 40 86.345 -20.164 37.247 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.773 -19.645 37.243 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.522 -18.337 38.382 1.00 0.00 H new ATOM 1465 N ASP B 41 84.715 -19.443 39.000 1.00 0.00 N ATOM 1466 CA ASP B 41 83.818 -19.092 40.134 1.00 0.00 C ATOM 1467 C ASP B 41 84.548 -19.279 41.471 1.00 0.00 C ATOM 1468 O ASP B 41 84.298 -18.569 42.425 1.00 0.00 O ATOM 1469 CB ASP B 41 82.579 -19.992 40.092 1.00 0.00 C ATOM 1470 CG ASP B 41 81.760 -19.675 38.837 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.062 -18.686 38.190 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.849 -20.431 38.543 1.00 0.00 O ATOM 0 H ASP B 41 84.394 -20.217 38.418 1.00 0.00 H new ATOM 0 HA ASP B 41 83.520 -18.047 40.044 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.878 -21.040 40.089 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.972 -19.836 40.984 1.00 0.00 H new ATOM 1477 N LYS B 42 85.433 -20.241 41.560 1.00 0.00 N ATOM 1478 CA LYS B 42 86.148 -20.475 42.854 1.00 0.00 C ATOM 1479 C LYS B 42 87.117 -19.324 43.163 1.00 0.00 C ATOM 1480 O LYS B 42 87.169 -18.841 44.276 1.00 0.00 O ATOM 1481 CB LYS B 42 86.932 -21.790 42.762 1.00 0.00 C ATOM 1482 CG LYS B 42 85.952 -22.957 42.612 1.00 0.00 C ATOM 1483 CD LYS B 42 86.718 -24.296 42.564 1.00 0.00 C ATOM 1484 CE LYS B 42 87.001 -24.807 43.981 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.726 -24.908 44.745 1.00 0.00 N ATOM 0 H LYS B 42 85.690 -20.870 40.799 1.00 0.00 H new ATOM 0 HA LYS B 42 85.412 -20.529 43.656 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.613 -21.761 41.912 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.542 -21.926 43.655 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.250 -22.961 43.446 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.365 -22.833 41.702 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.135 -25.035 42.015 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.656 -24.165 42.025 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.487 -25.782 43.936 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.688 -24.132 44.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.812 -25.650 45.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.524 -23.998 45.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.950 -25.146 44.095 1.00 0.00 H new ATOM 1499 N CYS B 43 87.884 -18.873 42.204 1.00 0.00 N ATOM 1500 CA CYS B 43 88.837 -17.754 42.487 1.00 0.00 C ATOM 1501 C CYS B 43 88.103 -16.409 42.420 1.00 0.00 C ATOM 1502 O CYS B 43 88.451 -15.469 43.106 1.00 0.00 O ATOM 1503 CB CYS B 43 89.976 -17.763 41.459 1.00 0.00 C ATOM 1504 SG CYS B 43 90.996 -19.244 41.682 1.00 0.00 S ATOM 0 H CYS B 43 87.894 -19.225 41.247 1.00 0.00 H new ATOM 0 HA CYS B 43 89.250 -17.891 43.486 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.566 -17.742 40.449 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.588 -16.868 41.574 1.00 0.00 H new ATOM 1509 N GLN B 44 87.107 -16.302 41.579 1.00 0.00 N ATOM 1510 CA GLN B 44 86.374 -15.003 41.449 1.00 0.00 C ATOM 1511 C GLN B 44 85.544 -14.711 42.706 1.00 0.00 C ATOM 1512 O GLN B 44 85.575 -13.619 43.235 1.00 0.00 O ATOM 1513 CB GLN B 44 85.432 -15.075 40.248 1.00 0.00 C ATOM 1514 CG GLN B 44 84.860 -13.683 39.946 1.00 0.00 C ATOM 1515 CD GLN B 44 83.682 -13.818 38.977 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.945 -12.876 38.764 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.477 -14.955 38.374 1.00 0.00 N ATOM 0 H GLN B 44 86.769 -17.054 40.978 1.00 0.00 H new ATOM 0 HA GLN B 44 87.107 -14.207 41.317 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.967 -15.454 39.378 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.621 -15.774 40.453 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.533 -13.204 40.869 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.631 -13.047 39.512 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.096 -15.746 38.553 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.698 -15.054 37.723 1.00 0.00 H new ATOM 1526 N LEU B 45 84.791 -15.666 43.182 1.00 0.00 N ATOM 1527 CA LEU B 45 83.951 -15.423 44.401 1.00 0.00 C ATOM 1528 C LEU B 45 84.787 -15.617 45.661 1.00 0.00 C ATOM 1529 O LEU B 45 84.270 -15.812 46.743 1.00 0.00 O ATOM 1530 CB LEU B 45 82.768 -16.386 44.425 1.00 0.00 C ATOM 1531 CG LEU B 45 81.844 -16.127 43.224 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.722 -17.171 43.223 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.231 -14.708 43.310 1.00 0.00 C ATOM 0 H LEU B 45 84.718 -16.602 42.784 1.00 0.00 H new ATOM 0 HA LEU B 45 83.580 -14.398 44.368 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.127 -17.415 44.401 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.211 -16.265 45.354 1.00 0.00 H new ATOM 0 HG LEU B 45 82.424 -16.201 42.304 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.062 -16.995 42.374 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.154 -18.169 43.146 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.152 -17.093 44.149 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.579 -14.541 42.452 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.652 -14.617 44.229 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.030 -13.966 43.309 1.00 0.00 H new ATOM 1545 N LYS B 46 86.072 -15.559 45.530 1.00 0.00 N ATOM 1546 CA LYS B 46 86.950 -15.729 46.722 1.00 0.00 C ATOM 1547 C LYS B 46 87.080 -14.377 47.426 1.00 0.00 C ATOM 1548 O LYS B 46 87.412 -13.380 46.818 1.00 0.00 O ATOM 1549 CB LYS B 46 88.337 -16.204 46.273 1.00 0.00 C ATOM 1550 CG LYS B 46 89.211 -16.472 47.501 1.00 0.00 C ATOM 1551 CD LYS B 46 90.554 -17.091 47.073 1.00 0.00 C ATOM 1552 CE LYS B 46 91.467 -16.027 46.453 1.00 0.00 C ATOM 1553 NZ LYS B 46 91.597 -14.860 47.377 1.00 0.00 N ATOM 0 H LYS B 46 86.561 -15.401 44.649 1.00 0.00 H new ATOM 0 HA LYS B 46 86.521 -16.467 47.400 1.00 0.00 H new ATOM 0 HB2 LYS B 46 88.246 -17.110 45.674 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.804 -15.449 45.640 1.00 0.00 H new ATOM 0 HG2 LYS B 46 89.387 -15.542 48.041 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.694 -17.145 48.185 1.00 0.00 H new ATOM 0 HD2 LYS B 46 91.045 -17.540 47.936 1.00 0.00 H new ATOM 0 HD3 LYS B 46 90.379 -17.891 46.354 1.00 0.00 H new ATOM 0 HE2 LYS B 46 92.450 -16.453 46.252 1.00 0.00 H new ATOM 0 HE3 LYS B 46 91.060 -15.700 45.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 92.491 -14.364 47.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.801 -14.208 47.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.590 -15.194 48.362 1.00 0.00 H new ATOM 1567 N GLY B 47 86.812 -14.337 48.706 1.00 0.00 N ATOM 1568 CA GLY B 47 86.906 -13.052 49.470 1.00 0.00 C ATOM 1569 C GLY B 47 85.645 -12.894 50.326 1.00 0.00 C ATOM 1570 O GLY B 47 85.135 -13.850 50.872 1.00 0.00 O ATOM 0 H GLY B 47 86.530 -15.145 49.261 1.00 0.00 H new ATOM 0 HA2 GLY B 47 87.794 -13.053 50.102 1.00 0.00 H new ATOM 0 HA3 GLY B 47 87.004 -12.211 48.784 1.00 0.00 H new ATOM 1574 N GLU B 48 85.131 -11.693 50.443 1.00 0.00 N ATOM 1575 CA GLU B 48 83.897 -11.484 51.257 1.00 0.00 C ATOM 1576 C GLU B 48 82.662 -11.720 50.386 1.00 0.00 C ATOM 1577 O GLU B 48 82.584 -11.262 49.262 1.00 0.00 O ATOM 1578 CB GLU B 48 83.874 -10.052 51.792 1.00 0.00 C ATOM 1579 CG GLU B 48 85.090 -9.818 52.694 1.00 0.00 C ATOM 1580 CD GLU B 48 86.347 -9.648 51.836 1.00 0.00 C ATOM 1581 OE1 GLU B 48 86.206 -9.447 50.642 1.00 0.00 O ATOM 1582 OE2 GLU B 48 87.431 -9.720 52.391 1.00 0.00 O ATOM 0 H GLU B 48 85.513 -10.852 50.010 1.00 0.00 H new ATOM 0 HA GLU B 48 83.893 -12.185 52.092 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.882 -9.344 50.963 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.955 -9.877 52.352 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.934 -8.930 53.307 1.00 0.00 H new ATOM 0 HG3 GLU B 48 85.215 -10.659 53.376 1.00 0.00 H new ATOM 1589 N ALA B 49 81.699 -12.441 50.892 1.00 0.00 N ATOM 1590 CA ALA B 49 80.471 -12.712 50.089 1.00 0.00 C ATOM 1591 C ALA B 49 79.542 -13.646 50.871 1.00 0.00 C ATOM 1592 O ALA B 49 79.288 -14.763 50.465 1.00 0.00 O ATOM 1593 CB ALA B 49 80.873 -13.370 48.756 1.00 0.00 C ATOM 0 H ALA B 49 81.708 -12.854 51.825 1.00 0.00 H new ATOM 0 HA ALA B 49 79.949 -11.777 49.889 1.00 0.00 H new ATOM 0 HB1 ALA B 49 79.979 -13.570 48.165 1.00 0.00 H new ATOM 0 HB2 ALA B 49 81.531 -12.699 48.203 1.00 0.00 H new ATOM 0 HB3 ALA B 49 81.394 -14.307 48.955 1.00 0.00 H new ATOM 1599 N MET B 50 79.037 -13.198 51.987 1.00 0.00 N ATOM 1600 CA MET B 50 78.129 -14.057 52.793 1.00 0.00 C ATOM 1601 C MET B 50 77.481 -13.216 53.893 1.00 0.00 C ATOM 1602 O MET B 50 77.889 -12.101 54.155 1.00 0.00 O ATOM 1603 CB MET B 50 78.938 -15.195 53.424 1.00 0.00 C ATOM 1604 CG MET B 50 79.993 -14.607 54.360 1.00 0.00 C ATOM 1605 SD MET B 50 81.134 -15.908 54.878 1.00 0.00 S ATOM 1606 CE MET B 50 82.136 -14.881 55.978 1.00 0.00 C ATOM 0 H MET B 50 79.215 -12.272 52.375 1.00 0.00 H new ATOM 0 HA MET B 50 77.352 -14.475 52.153 1.00 0.00 H new ATOM 0 HB2 MET B 50 78.277 -15.863 53.976 1.00 0.00 H new ATOM 0 HB3 MET B 50 79.417 -15.791 52.647 1.00 0.00 H new ATOM 0 HG2 MET B 50 80.539 -13.810 53.855 1.00 0.00 H new ATOM 0 HG3 MET B 50 79.513 -14.162 55.231 1.00 0.00 H new ATOM 0 HE1 MET B 50 82.925 -15.487 56.423 1.00 0.00 H new ATOM 0 HE2 MET B 50 82.582 -14.066 55.408 1.00 0.00 H new ATOM 0 HE3 MET B 50 81.506 -14.470 56.766 1.00 0.00 H new ATOM 1616 N HIS B 51 76.475 -13.741 54.532 1.00 0.00 N ATOM 1617 CA HIS B 51 75.794 -12.979 55.618 1.00 0.00 C ATOM 1618 C HIS B 51 75.322 -11.627 55.084 1.00 0.00 C ATOM 1619 O HIS B 51 75.531 -10.602 55.703 1.00 0.00 O ATOM 1620 CB HIS B 51 76.769 -12.748 56.774 1.00 0.00 C ATOM 1621 CG HIS B 51 76.017 -12.209 57.957 1.00 0.00 C ATOM 1622 ND1 HIS B 51 75.193 -13.008 58.733 1.00 0.00 N ATOM 1623 CD2 HIS B 51 75.954 -10.954 58.510 1.00 0.00 C ATOM 1624 CE1 HIS B 51 74.675 -12.235 59.703 1.00 0.00 C ATOM 1625 NE2 HIS B 51 75.107 -10.978 59.612 1.00 0.00 N ATOM 0 H HIS B 51 76.092 -14.669 54.349 1.00 0.00 H new ATOM 0 HA HIS B 51 74.936 -13.552 55.970 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.265 -13.682 57.039 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.548 -12.047 56.474 1.00 0.00 H new ATOM 0 HD1 HIS B 51 75.012 -14.002 58.594 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.480 -10.084 58.146 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.993 -12.589 60.462 1.00 0.00 H new ATOM 1633 N GLY B 52 74.679 -11.611 53.948 1.00 0.00 N ATOM 1634 CA GLY B 52 74.189 -10.313 53.388 1.00 0.00 C ATOM 1635 C GLY B 52 72.849 -9.960 54.035 1.00 0.00 C ATOM 1636 O GLY B 52 72.633 -8.849 54.479 1.00 0.00 O ATOM 0 H GLY B 52 74.471 -12.435 53.384 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.917 -9.524 53.577 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.075 -10.390 52.307 1.00 0.00 H new ATOM 1640 N GLN B 53 71.946 -10.903 54.091 1.00 0.00 N ATOM 1641 CA GLN B 53 70.618 -10.630 54.711 1.00 0.00 C ATOM 1642 C GLN B 53 70.714 -10.813 56.226 1.00 0.00 C ATOM 1643 O GLN B 53 71.698 -11.306 56.741 1.00 0.00 O ATOM 1644 CB GLN B 53 69.569 -11.591 54.137 1.00 0.00 C ATOM 1645 CG GLN B 53 69.466 -11.386 52.622 1.00 0.00 C ATOM 1646 CD GLN B 53 68.351 -12.262 52.055 1.00 0.00 C ATOM 1647 OE1 GLN B 53 68.173 -13.387 52.481 1.00 0.00 O ATOM 1648 NE2 GLN B 53 67.588 -11.790 51.104 1.00 0.00 N ATOM 0 H GLN B 53 72.071 -11.850 53.734 1.00 0.00 H new ATOM 0 HA GLN B 53 70.320 -9.605 54.490 1.00 0.00 H new ATOM 0 HB2 GLN B 53 69.845 -12.622 54.358 1.00 0.00 H new ATOM 0 HB3 GLN B 53 68.601 -11.413 54.606 1.00 0.00 H new ATOM 0 HG2 GLN B 53 69.265 -10.338 52.401 1.00 0.00 H new ATOM 0 HG3 GLN B 53 70.415 -11.636 52.147 1.00 0.00 H new ATOM 0 HE21 GLN B 53 67.740 -10.846 50.749 1.00 0.00 H new ATOM 0 HE22 GLN B 53 66.840 -12.366 50.717 1.00 0.00 H new ATOM 1657 N VAL B 54 69.697 -10.402 56.941 1.00 0.00 N ATOM 1658 CA VAL B 54 69.712 -10.532 58.431 1.00 0.00 C ATOM 1659 C VAL B 54 70.857 -9.685 59.001 1.00 0.00 C ATOM 1660 O VAL B 54 71.803 -9.359 58.310 1.00 0.00 O ATOM 1661 CB VAL B 54 69.898 -12.008 58.820 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.479 -12.214 60.278 1.00 0.00 C ATOM 1663 CG2 VAL B 54 69.024 -12.895 57.918 1.00 0.00 C ATOM 0 H VAL B 54 68.853 -9.980 56.555 1.00 0.00 H new ATOM 0 HA VAL B 54 68.766 -10.178 58.841 1.00 0.00 H new ATOM 0 HB VAL B 54 70.947 -12.279 58.697 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.612 -13.261 60.550 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.095 -11.590 60.925 1.00 0.00 H new ATOM 0 HG13 VAL B 54 68.431 -11.938 60.398 1.00 0.00 H new ATOM 0 HG21 VAL B 54 69.158 -13.940 58.196 1.00 0.00 H new ATOM 0 HG22 VAL B 54 67.977 -12.618 58.040 1.00 0.00 H new ATOM 0 HG23 VAL B 54 69.317 -12.756 56.877 1.00 0.00 H new ATOM 1673 N ASP B 55 70.778 -9.315 60.254 1.00 0.00 N ATOM 1674 CA ASP B 55 71.856 -8.481 60.861 1.00 0.00 C ATOM 1675 C ASP B 55 72.980 -9.387 61.368 1.00 0.00 C ATOM 1676 O ASP B 55 74.090 -8.899 61.511 1.00 0.00 O ATOM 1677 CB ASP B 55 71.291 -7.688 62.040 1.00 0.00 C ATOM 1678 CG ASP B 55 70.365 -6.576 61.539 1.00 0.00 C ATOM 1679 OD1 ASP B 55 70.400 -6.286 60.356 1.00 0.00 O ATOM 1680 OD2 ASP B 55 69.645 -6.025 62.355 1.00 0.00 O ATOM 1681 OXT ASP B 55 72.712 -10.551 61.601 1.00 0.00 O ATOM 0 H ASP B 55 70.012 -9.556 60.883 1.00 0.00 H new ATOM 0 HA ASP B 55 72.243 -7.796 60.107 1.00 0.00 H new ATOM 0 HB2 ASP B 55 70.743 -8.355 62.706 1.00 0.00 H new ATOM 0 HB3 ASP B 55 72.106 -7.257 62.621 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.995 -2.204 35.835 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.478 -20.717 39.996 1.00 0.00 ZN