USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 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 :FLIP amide:sc= -4.59! C(o=-10!,f=-9!) USER MOD Set 1.2: B 44 GLN : amide:sc= -4.41! C(o=-9!,f=-10!) USER MOD Single : A 1 PHE N :NH3+ 147:sc= 0.758 (180deg=0.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 171:sc= -0.355 USER MOD Single : A 18 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 22 MET CE :methyl -168:sc= -0.318 (180deg=-1.12) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.27) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 0.79 (180deg=0.134) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 168:sc= -0.185 USER MOD Single : B 18 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : B 22 MET CE :methyl -165:sc= -0.305 (180deg=-1.34) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.235 K(o=-0.24,f=-2.7!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.35) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.051 -3.731 24.023 1.00 0.00 N ATOM 2 CA PHE A 1 94.399 -4.234 25.262 1.00 0.00 C ATOM 3 C PHE A 1 93.987 -3.050 26.140 1.00 0.00 C ATOM 4 O PHE A 1 92.818 -2.799 26.365 1.00 0.00 O ATOM 5 CB PHE A 1 95.392 -5.104 26.042 1.00 0.00 C ATOM 6 CG PHE A 1 95.702 -6.375 25.276 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.749 -6.392 24.343 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.962 -7.543 25.518 1.00 0.00 C ATOM 9 CE1 PHE A 1 97.054 -7.572 23.653 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.267 -8.722 24.823 1.00 0.00 C ATOM 11 CZ PHE A 1 96.315 -8.735 23.892 1.00 0.00 C ATOM 0 H1 PHE A 1 95.785 -4.402 23.720 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.339 -3.634 23.271 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.485 -2.805 24.211 1.00 0.00 H new ATOM 0 HA PHE A 1 93.520 -4.820 24.993 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.312 -4.546 26.220 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.977 -5.353 27.019 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.320 -5.495 24.157 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.158 -7.534 26.239 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.861 -7.584 22.935 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.695 -9.620 25.005 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.552 -9.644 23.359 1.00 0.00 H new ATOM 23 N LEU A 2 94.949 -2.341 26.660 1.00 0.00 N ATOM 24 CA LEU A 2 94.653 -1.190 27.557 1.00 0.00 C ATOM 25 C LEU A 2 94.088 0.011 26.774 1.00 0.00 C ATOM 26 O LEU A 2 93.258 0.747 27.273 1.00 0.00 O ATOM 27 CB LEU A 2 95.957 -0.781 28.246 1.00 0.00 C ATOM 28 CG LEU A 2 96.648 -2.024 28.832 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.876 -1.593 29.635 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.677 -2.781 29.744 1.00 0.00 C ATOM 0 H LEU A 2 95.941 -2.513 26.499 1.00 0.00 H new ATOM 0 HA LEU A 2 93.899 -1.491 28.284 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.618 -0.289 27.532 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.750 -0.061 29.038 1.00 0.00 H new ATOM 0 HG LEU A 2 96.956 -2.680 28.018 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.366 -2.473 30.051 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.571 -1.065 28.982 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.567 -0.933 30.446 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.174 -3.660 30.155 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.360 -2.130 30.558 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.805 -3.093 29.168 1.00 0.00 H new ATOM 42 N ASP A 3 94.544 0.238 25.573 1.00 0.00 N ATOM 43 CA ASP A 3 94.045 1.416 24.792 1.00 0.00 C ATOM 44 C ASP A 3 92.566 1.267 24.434 1.00 0.00 C ATOM 45 O ASP A 3 91.771 2.163 24.646 1.00 0.00 O ATOM 46 CB ASP A 3 94.838 1.537 23.495 1.00 0.00 C ATOM 47 CG ASP A 3 94.483 2.854 22.804 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.544 3.498 23.242 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.159 3.201 21.849 1.00 0.00 O ATOM 0 H ASP A 3 95.239 -0.337 25.096 1.00 0.00 H new ATOM 0 HA ASP A 3 94.171 2.303 25.413 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.907 1.500 23.705 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.613 0.697 22.838 1.00 0.00 H new ATOM 54 N GLY A 4 92.190 0.157 23.875 1.00 0.00 N ATOM 55 CA GLY A 4 90.763 -0.022 23.490 1.00 0.00 C ATOM 56 C GLY A 4 89.901 -0.088 24.745 1.00 0.00 C ATOM 57 O GLY A 4 88.867 0.541 24.838 1.00 0.00 O ATOM 0 H GLY A 4 92.802 -0.632 23.668 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.440 0.805 22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.645 -0.935 22.907 1.00 0.00 H new ATOM 61 N ILE A 5 90.329 -0.845 25.711 1.00 0.00 N ATOM 62 CA ILE A 5 89.561 -0.974 26.976 1.00 0.00 C ATOM 63 C ILE A 5 89.405 0.392 27.642 1.00 0.00 C ATOM 64 O ILE A 5 88.367 0.709 28.186 1.00 0.00 O ATOM 65 CB ILE A 5 90.308 -1.931 27.897 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.225 -3.339 27.293 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.677 -1.919 29.294 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.181 -4.314 28.003 1.00 0.00 C ATOM 0 H ILE A 5 91.192 -1.388 25.677 1.00 0.00 H new ATOM 0 HA ILE A 5 88.564 -1.363 26.768 1.00 0.00 H new ATOM 0 HB ILE A 5 91.350 -1.624 27.992 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.203 -3.709 27.370 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.470 -3.296 26.232 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.219 -2.606 29.944 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.728 -0.912 29.708 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.635 -2.230 29.225 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.096 -5.302 27.550 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.206 -3.956 27.904 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.919 -4.376 29.059 1.00 0.00 H new ATOM 80 N ASP A 6 90.423 1.196 27.619 1.00 0.00 N ATOM 81 CA ASP A 6 90.309 2.525 28.266 1.00 0.00 C ATOM 82 C ASP A 6 89.099 3.261 27.694 1.00 0.00 C ATOM 83 O ASP A 6 88.290 3.803 28.421 1.00 0.00 O ATOM 84 CB ASP A 6 91.588 3.321 28.004 1.00 0.00 C ATOM 85 CG ASP A 6 91.573 4.612 28.825 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.556 4.892 29.439 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.580 5.300 28.822 1.00 0.00 O ATOM 0 H ASP A 6 91.323 0.993 27.184 1.00 0.00 H new ATOM 0 HA ASP A 6 90.176 2.409 29.342 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.460 2.722 28.267 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.670 3.555 26.943 1.00 0.00 H new ATOM 92 N LYS A 7 88.941 3.265 26.400 1.00 0.00 N ATOM 93 CA LYS A 7 87.753 3.953 25.814 1.00 0.00 C ATOM 94 C LYS A 7 86.491 3.156 26.155 1.00 0.00 C ATOM 95 O LYS A 7 85.464 3.713 26.502 1.00 0.00 O ATOM 96 CB LYS A 7 87.897 4.030 24.294 1.00 0.00 C ATOM 97 CG LYS A 7 89.131 4.850 23.906 1.00 0.00 C ATOM 98 CD LYS A 7 89.216 4.908 22.380 1.00 0.00 C ATOM 99 CE LYS A 7 90.545 5.532 21.956 1.00 0.00 C ATOM 100 NZ LYS A 7 90.697 5.413 20.477 1.00 0.00 N ATOM 0 H LYS A 7 89.573 2.828 25.729 1.00 0.00 H new ATOM 0 HA LYS A 7 87.682 4.960 26.224 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.978 3.025 23.880 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.004 4.482 23.862 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.063 5.856 24.320 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.032 4.396 24.318 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.126 3.905 21.964 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.387 5.493 21.983 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.579 6.580 22.253 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.372 5.031 22.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.601 5.837 20.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.682 4.409 20.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.914 5.910 20.006 1.00 0.00 H new ATOM 114 N ALA A 8 86.562 1.859 26.065 1.00 0.00 N ATOM 115 CA ALA A 8 85.373 1.026 26.384 1.00 0.00 C ATOM 116 C ALA A 8 85.060 1.130 27.875 1.00 0.00 C ATOM 117 O ALA A 8 83.915 1.112 28.280 1.00 0.00 O ATOM 118 CB ALA A 8 85.644 -0.436 26.012 1.00 0.00 C ATOM 0 H ALA A 8 87.394 1.339 25.784 1.00 0.00 H new ATOM 0 HA ALA A 8 84.519 1.386 25.810 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.768 -1.040 26.249 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.856 -0.507 24.945 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.501 -0.802 26.577 1.00 0.00 H new ATOM 124 N GLN A 9 86.066 1.223 28.696 1.00 0.00 N ATOM 125 CA GLN A 9 85.813 1.312 30.156 1.00 0.00 C ATOM 126 C GLN A 9 84.952 2.536 30.454 1.00 0.00 C ATOM 127 O GLN A 9 84.043 2.481 31.253 1.00 0.00 O ATOM 128 CB GLN A 9 87.149 1.417 30.895 1.00 0.00 C ATOM 129 CG GLN A 9 86.916 1.256 32.398 1.00 0.00 C ATOM 130 CD GLN A 9 88.254 1.353 33.136 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.299 1.359 32.523 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.262 1.427 34.438 1.00 0.00 N ATOM 0 H GLN A 9 87.048 1.241 28.420 1.00 0.00 H new ATOM 0 HA GLN A 9 85.285 0.419 30.492 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.835 0.649 30.538 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.615 2.381 30.690 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.235 2.028 32.756 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.445 0.295 32.603 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.382 1.422 34.955 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.148 1.490 34.940 1.00 0.00 H new ATOM 141 N GLU A 10 85.216 3.644 29.812 1.00 0.00 N ATOM 142 CA GLU A 10 84.378 4.844 30.081 1.00 0.00 C ATOM 143 C GLU A 10 82.926 4.524 29.710 1.00 0.00 C ATOM 144 O GLU A 10 82.002 4.885 30.410 1.00 0.00 O ATOM 145 CB GLU A 10 84.885 6.029 29.257 1.00 0.00 C ATOM 146 CG GLU A 10 84.148 7.296 29.687 1.00 0.00 C ATOM 147 CD GLU A 10 84.627 8.475 28.840 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.472 8.263 27.984 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.138 9.571 29.053 1.00 0.00 O ATOM 0 H GLU A 10 85.961 3.767 29.126 1.00 0.00 H new ATOM 0 HA GLU A 10 84.436 5.108 31.137 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.958 6.153 29.400 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.724 5.844 28.195 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.073 7.162 29.569 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.330 7.495 30.743 1.00 0.00 H new ATOM 156 N GLU A 11 82.718 3.825 28.619 1.00 0.00 N ATOM 157 CA GLU A 11 81.326 3.463 28.216 1.00 0.00 C ATOM 158 C GLU A 11 80.700 2.605 29.308 1.00 0.00 C ATOM 159 O GLU A 11 79.545 2.764 29.655 1.00 0.00 O ATOM 160 CB GLU A 11 81.363 2.683 26.894 1.00 0.00 C ATOM 161 CG GLU A 11 79.935 2.430 26.385 1.00 0.00 C ATOM 162 CD GLU A 11 79.292 1.277 27.165 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.024 0.506 27.763 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.074 1.180 27.144 1.00 0.00 O ATOM 0 H GLU A 11 83.451 3.491 27.993 1.00 0.00 H new ATOM 0 HA GLU A 11 80.732 4.367 28.079 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.928 3.243 26.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.879 1.734 27.038 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.336 3.333 26.497 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.957 2.192 25.322 1.00 0.00 H new ATOM 171 N HIS A 12 81.458 1.700 29.865 1.00 0.00 N ATOM 172 CA HIS A 12 80.901 0.849 30.945 1.00 0.00 C ATOM 173 C HIS A 12 80.473 1.735 32.111 1.00 0.00 C ATOM 174 O HIS A 12 79.390 1.609 32.639 1.00 0.00 O ATOM 175 CB HIS A 12 81.950 -0.149 31.444 1.00 0.00 C ATOM 176 CG HIS A 12 81.277 -1.026 32.457 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.910 -2.355 32.191 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.784 -0.735 33.699 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.210 -2.795 33.256 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.119 -1.841 34.171 1.00 0.00 N ATOM 0 H HIS A 12 82.431 1.517 29.619 1.00 0.00 H new ATOM 0 HA HIS A 12 80.048 0.299 30.549 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.340 -0.744 30.618 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.797 0.373 31.889 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.131 -2.888 31.350 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.898 0.204 34.220 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.785 -3.783 33.350 1.00 0.00 H new ATOM 188 N GLU A 13 81.321 2.629 32.523 1.00 0.00 N ATOM 189 CA GLU A 13 80.968 3.518 33.663 1.00 0.00 C ATOM 190 C GLU A 13 79.716 4.343 33.320 1.00 0.00 C ATOM 191 O GLU A 13 78.858 4.555 34.153 1.00 0.00 O ATOM 192 CB GLU A 13 82.156 4.450 33.946 1.00 0.00 C ATOM 193 CG GLU A 13 81.920 5.215 35.251 1.00 0.00 C ATOM 194 CD GLU A 13 83.113 6.134 35.526 1.00 0.00 C ATOM 195 OE1 GLU A 13 84.093 6.025 34.812 1.00 0.00 O ATOM 196 OE2 GLU A 13 83.027 6.924 36.453 1.00 0.00 O ATOM 0 H GLU A 13 82.245 2.785 32.120 1.00 0.00 H new ATOM 0 HA GLU A 13 80.752 2.918 34.547 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.076 3.870 34.016 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.284 5.151 33.121 1.00 0.00 H new ATOM 0 HG2 GLU A 13 81.004 5.802 35.181 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.788 4.515 36.076 1.00 0.00 H new ATOM 203 N LYS A 14 79.611 4.818 32.104 1.00 0.00 N ATOM 204 CA LYS A 14 78.420 5.639 31.713 1.00 0.00 C ATOM 205 C LYS A 14 77.106 4.840 31.771 1.00 0.00 C ATOM 206 O LYS A 14 76.066 5.399 32.059 1.00 0.00 O ATOM 207 CB LYS A 14 78.591 6.185 30.288 1.00 0.00 C ATOM 208 CG LYS A 14 79.683 7.262 30.252 1.00 0.00 C ATOM 209 CD LYS A 14 79.669 7.981 28.889 1.00 0.00 C ATOM 210 CE LYS A 14 80.301 7.103 27.808 1.00 0.00 C ATOM 211 NZ LYS A 14 80.526 7.918 26.578 1.00 0.00 N ATOM 0 H LYS A 14 80.298 4.674 31.364 1.00 0.00 H new ATOM 0 HA LYS A 14 78.360 6.454 32.434 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.851 5.372 29.610 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.648 6.603 29.937 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.522 7.982 31.054 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.659 6.808 30.423 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.644 8.226 28.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.213 8.923 28.963 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.246 6.692 28.164 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.650 6.258 27.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 80.956 7.323 25.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.617 8.289 26.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.163 8.710 26.798 1.00 0.00 H new ATOM 225 N TYR A 15 77.112 3.562 31.446 1.00 0.00 N ATOM 226 CA TYR A 15 75.814 2.789 31.433 1.00 0.00 C ATOM 227 C TYR A 15 75.933 1.401 32.089 1.00 0.00 C ATOM 228 O TYR A 15 74.956 0.686 32.177 1.00 0.00 O ATOM 229 CB TYR A 15 75.380 2.598 29.971 1.00 0.00 C ATOM 230 CG TYR A 15 75.369 3.933 29.260 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.222 4.736 29.310 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.502 4.373 28.551 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.201 5.973 28.656 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.476 5.613 27.897 1.00 0.00 C ATOM 235 CZ TYR A 15 75.326 6.411 27.951 1.00 0.00 C ATOM 236 OH TYR A 15 75.304 7.629 27.307 1.00 0.00 O ATOM 0 H TYR A 15 77.942 3.026 31.193 1.00 0.00 H new ATOM 0 HA TYR A 15 75.086 3.361 32.008 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.061 1.913 29.467 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.388 2.147 29.933 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.352 4.400 29.854 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.389 3.758 28.511 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.315 6.590 28.696 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.344 5.953 27.351 1.00 0.00 H new ATOM 0 HH TYR A 15 76.166 7.782 26.866 1.00 0.00 H new ATOM 246 N HIS A 16 77.093 0.991 32.511 1.00 0.00 N ATOM 247 CA HIS A 16 77.224 -0.373 33.115 1.00 0.00 C ATOM 248 C HIS A 16 76.649 -1.374 32.115 1.00 0.00 C ATOM 249 O HIS A 16 75.910 -2.273 32.473 1.00 0.00 O ATOM 250 CB HIS A 16 76.447 -0.483 34.442 1.00 0.00 C ATOM 251 CG HIS A 16 77.138 0.272 35.553 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.233 -0.219 36.258 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.863 1.485 36.148 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.579 0.654 37.210 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.774 1.720 37.187 1.00 0.00 N ATOM 0 H HIS A 16 77.956 1.533 32.467 1.00 0.00 H new ATOM 0 HA HIS A 16 78.274 -0.573 33.329 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.438 -0.092 34.308 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.348 -1.532 34.721 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.066 2.153 35.857 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.397 0.516 37.902 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.814 2.535 37.798 1.00 0.00 H new ATOM 263 N SER A 17 76.956 -1.203 30.857 1.00 0.00 N ATOM 264 CA SER A 17 76.403 -2.118 29.824 1.00 0.00 C ATOM 265 C SER A 17 76.984 -3.521 29.982 1.00 0.00 C ATOM 266 O SER A 17 78.059 -3.710 30.525 1.00 0.00 O ATOM 267 CB SER A 17 76.740 -1.587 28.434 1.00 0.00 C ATOM 268 OG SER A 17 78.151 -1.549 28.278 1.00 0.00 O ATOM 0 H SER A 17 77.567 -0.467 30.502 1.00 0.00 H new ATOM 0 HA SER A 17 75.321 -2.168 29.949 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.295 -2.225 27.670 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.320 -0.590 28.301 1.00 0.00 H new ATOM 0 HG SER A 17 78.372 -1.349 27.344 1.00 0.00 H new ATOM 274 N ASN A 18 76.281 -4.510 29.495 1.00 0.00 N ATOM 275 CA ASN A 18 76.779 -5.907 29.599 1.00 0.00 C ATOM 276 C ASN A 18 77.942 -6.096 28.623 1.00 0.00 C ATOM 277 O ASN A 18 78.119 -5.333 27.692 1.00 0.00 O ATOM 278 CB ASN A 18 75.655 -6.887 29.253 1.00 0.00 C ATOM 279 CG ASN A 18 74.469 -6.675 30.198 1.00 0.00 C ATOM 280 OD1 ASN A 18 73.327 -6.724 29.780 1.00 0.00 O ATOM 281 ND2 ASN A 18 74.681 -6.444 31.468 1.00 0.00 N ATOM 0 H ASN A 18 75.380 -4.406 29.028 1.00 0.00 H new ATOM 0 HA ASN A 18 77.116 -6.099 30.618 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.339 -6.741 28.220 1.00 0.00 H new ATOM 0 HB3 ASN A 18 76.017 -7.912 29.334 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.892 -6.307 32.100 1.00 0.00 H new ATOM 0 HD22 ASN A 18 75.635 -6.401 31.826 1.00 0.00 H new ATOM 288 N TRP A 19 78.749 -7.098 28.841 1.00 0.00 N ATOM 289 CA TRP A 19 79.911 -7.324 27.947 1.00 0.00 C ATOM 290 C TRP A 19 79.450 -7.522 26.503 1.00 0.00 C ATOM 291 O TRP A 19 80.150 -7.178 25.567 1.00 0.00 O ATOM 292 CB TRP A 19 80.705 -8.544 28.431 1.00 0.00 C ATOM 293 CG TRP A 19 79.957 -9.811 28.157 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.188 -10.474 29.052 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.915 -10.591 26.928 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.664 -11.605 28.443 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.086 -11.721 27.133 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.508 -10.424 25.668 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.855 -12.653 26.119 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.279 -11.357 24.646 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.455 -12.469 24.870 1.00 0.00 C ATOM 0 H TRP A 19 78.650 -7.769 29.602 1.00 0.00 H new ATOM 0 HA TRP A 19 80.556 -6.446 27.977 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.674 -8.574 27.932 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.899 -8.456 29.500 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.011 -10.172 30.074 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.043 -12.269 28.906 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.145 -9.572 25.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.219 -13.507 26.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.741 -11.218 23.680 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.284 -13.183 24.078 1.00 0.00 H new ATOM 312 N ARG A 20 78.288 -8.066 26.299 1.00 0.00 N ATOM 313 CA ARG A 20 77.819 -8.268 24.903 1.00 0.00 C ATOM 314 C ARG A 20 77.674 -6.920 24.201 1.00 0.00 C ATOM 315 O ARG A 20 78.003 -6.774 23.046 1.00 0.00 O ATOM 316 CB ARG A 20 76.463 -8.974 24.914 1.00 0.00 C ATOM 317 CG ARG A 20 76.615 -10.360 25.531 1.00 0.00 C ATOM 318 CD ARG A 20 75.265 -11.076 25.511 1.00 0.00 C ATOM 319 NE ARG A 20 75.369 -12.359 26.268 1.00 0.00 N ATOM 320 CZ ARG A 20 74.289 -12.999 26.625 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.112 -12.508 26.335 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.380 -14.132 27.269 1.00 0.00 N ATOM 0 H ARG A 20 77.647 -8.377 27.029 1.00 0.00 H new ATOM 0 HA ARG A 20 78.549 -8.878 24.370 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.741 -8.388 25.483 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.076 -9.057 23.898 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.354 -10.938 24.976 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.979 -10.276 26.555 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.498 -10.441 25.955 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.961 -11.272 24.483 1.00 0.00 H new ATOM 0 HE ARG A 20 76.286 -12.736 26.507 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.038 -11.625 25.830 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.268 -13.008 26.614 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.297 -14.519 27.494 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.534 -14.630 27.547 1.00 0.00 H new ATOM 336 N ALA A 21 77.181 -5.937 24.890 1.00 0.00 N ATOM 337 CA ALA A 21 77.007 -4.603 24.257 1.00 0.00 C ATOM 338 C ALA A 21 78.378 -3.982 23.984 1.00 0.00 C ATOM 339 O ALA A 21 78.652 -3.511 22.898 1.00 0.00 O ATOM 340 CB ALA A 21 76.191 -3.713 25.207 1.00 0.00 C ATOM 0 H ALA A 21 76.890 -5.997 25.866 1.00 0.00 H new ATOM 0 HA ALA A 21 76.479 -4.699 23.309 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.054 -2.730 24.757 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.217 -4.169 25.386 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.722 -3.608 26.153 1.00 0.00 H new ATOM 346 N MET A 22 79.245 -3.974 24.957 1.00 0.00 N ATOM 347 CA MET A 22 80.597 -3.384 24.733 1.00 0.00 C ATOM 348 C MET A 22 81.304 -4.146 23.623 1.00 0.00 C ATOM 349 O MET A 22 81.972 -3.573 22.788 1.00 0.00 O ATOM 350 CB MET A 22 81.417 -3.459 26.018 1.00 0.00 C ATOM 351 CG MET A 22 80.762 -2.576 27.080 1.00 0.00 C ATOM 352 SD MET A 22 81.852 -2.434 28.521 1.00 0.00 S ATOM 353 CE MET A 22 81.684 -4.132 29.121 1.00 0.00 C ATOM 0 H MET A 22 79.080 -4.347 25.892 1.00 0.00 H new ATOM 0 HA MET A 22 80.491 -2.339 24.443 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.474 -4.490 26.368 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.439 -3.129 25.832 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.558 -1.588 26.668 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.804 -3.001 27.378 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.106 -4.207 30.123 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.629 -4.405 29.150 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.215 -4.809 28.452 1.00 0.00 H new ATOM 363 N ALA A 23 81.162 -5.443 23.605 1.00 0.00 N ATOM 364 CA ALA A 23 81.832 -6.239 22.541 1.00 0.00 C ATOM 365 C ALA A 23 81.387 -5.727 21.168 1.00 0.00 C ATOM 366 O ALA A 23 82.187 -5.527 20.281 1.00 0.00 O ATOM 367 CB ALA A 23 81.443 -7.709 22.693 1.00 0.00 C ATOM 0 H ALA A 23 80.615 -5.982 24.276 1.00 0.00 H new ATOM 0 HA ALA A 23 82.914 -6.138 22.630 1.00 0.00 H new ATOM 0 HB1 ALA A 23 81.931 -8.297 21.916 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.758 -8.069 23.672 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.362 -7.811 22.600 1.00 0.00 H new ATOM 373 N SER A 24 80.113 -5.509 20.993 1.00 0.00 N ATOM 374 CA SER A 24 79.609 -5.007 19.679 1.00 0.00 C ATOM 375 C SER A 24 80.060 -3.559 19.453 1.00 0.00 C ATOM 376 O SER A 24 80.380 -3.163 18.350 1.00 0.00 O ATOM 377 CB SER A 24 78.079 -5.065 19.674 1.00 0.00 C ATOM 378 OG SER A 24 77.600 -4.812 18.358 1.00 0.00 O ATOM 0 H SER A 24 79.396 -5.656 21.703 1.00 0.00 H new ATOM 0 HA SER A 24 80.012 -5.631 18.881 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.740 -6.044 20.014 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.674 -4.328 20.368 1.00 0.00 H new ATOM 0 HG SER A 24 76.621 -4.850 18.353 1.00 0.00 H new ATOM 384 N ASP A 25 80.079 -2.765 20.492 1.00 0.00 N ATOM 385 CA ASP A 25 80.488 -1.334 20.341 1.00 0.00 C ATOM 386 C ASP A 25 81.926 -1.233 19.816 1.00 0.00 C ATOM 387 O ASP A 25 82.233 -0.384 19.004 1.00 0.00 O ATOM 388 CB ASP A 25 80.411 -0.641 21.702 1.00 0.00 C ATOM 389 CG ASP A 25 78.948 -0.501 22.125 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.087 -0.647 21.274 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.713 -0.247 23.296 1.00 0.00 O ATOM 0 H ASP A 25 79.829 -3.045 21.440 1.00 0.00 H new ATOM 0 HA ASP A 25 79.815 -0.854 19.630 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.962 -1.217 22.446 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.880 0.341 21.648 1.00 0.00 H new ATOM 396 N PHE A 26 82.809 -2.083 20.282 1.00 0.00 N ATOM 397 CA PHE A 26 84.234 -2.036 19.819 1.00 0.00 C ATOM 398 C PHE A 26 84.549 -3.284 18.999 1.00 0.00 C ATOM 399 O PHE A 26 85.651 -3.460 18.512 1.00 0.00 O ATOM 400 CB PHE A 26 85.154 -1.971 21.039 1.00 0.00 C ATOM 401 CG PHE A 26 84.878 -0.690 21.785 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.906 -0.652 22.795 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.600 0.465 21.464 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.658 0.544 23.482 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.352 1.659 22.149 1.00 0.00 C ATOM 406 CZ PHE A 26 84.381 1.699 23.159 1.00 0.00 C ATOM 0 H PHE A 26 82.604 -2.811 20.966 1.00 0.00 H new ATOM 0 HA PHE A 26 84.390 -1.155 19.197 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.983 -2.830 21.687 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.198 -2.010 20.728 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.349 -1.543 23.043 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.349 0.434 20.687 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.910 0.575 24.260 1.00 0.00 H new ATOM 0 HE2 PHE A 26 85.909 2.550 21.900 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.190 2.621 23.688 1.00 0.00 H new ATOM 416 N ASN A 27 83.589 -4.150 18.847 1.00 0.00 N ATOM 417 CA ASN A 27 83.811 -5.392 18.054 1.00 0.00 C ATOM 418 C ASN A 27 85.019 -6.145 18.608 1.00 0.00 C ATOM 419 O ASN A 27 85.904 -6.541 17.875 1.00 0.00 O ATOM 420 CB ASN A 27 84.045 -5.035 16.584 1.00 0.00 C ATOM 421 CG ASN A 27 82.766 -4.427 15.999 1.00 0.00 C ATOM 422 OD1 ASN A 27 81.691 -4.627 16.536 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.828 -3.692 14.922 1.00 0.00 N ATOM 0 H ASN A 27 82.653 -4.051 19.240 1.00 0.00 H new ATOM 0 HA ASN A 27 82.929 -6.029 18.127 1.00 0.00 H new ATOM 0 HB2 ASN A 27 84.870 -4.328 16.497 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.328 -5.925 16.022 1.00 0.00 H new ATOM 0 HD21 ASN A 27 81.977 -3.286 14.532 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.727 -3.523 14.471 1.00 0.00 H new ATOM 430 N LEU A 28 85.059 -6.344 19.900 1.00 0.00 N ATOM 431 CA LEU A 28 86.202 -7.070 20.535 1.00 0.00 C ATOM 432 C LEU A 28 85.686 -8.406 21.078 1.00 0.00 C ATOM 433 O LEU A 28 84.521 -8.528 21.401 1.00 0.00 O ATOM 434 CB LEU A 28 86.728 -6.217 21.698 1.00 0.00 C ATOM 435 CG LEU A 28 87.388 -4.935 21.162 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.638 -3.975 22.331 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.734 -5.266 20.483 1.00 0.00 C ATOM 0 H LEU A 28 84.339 -6.031 20.551 1.00 0.00 H new ATOM 0 HA LEU A 28 86.999 -7.247 19.813 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.909 -5.959 22.369 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.449 -6.790 22.281 1.00 0.00 H new ATOM 0 HG LEU A 28 86.726 -4.474 20.429 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.106 -3.063 21.959 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.690 -3.728 22.808 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.297 -4.451 23.058 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.188 -4.348 20.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.402 -5.733 21.207 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.564 -5.951 19.652 1.00 0.00 H new ATOM 449 N PRO A 29 86.528 -9.410 21.190 1.00 0.00 N ATOM 450 CA PRO A 29 86.091 -10.737 21.713 1.00 0.00 C ATOM 451 C PRO A 29 85.553 -10.621 23.150 1.00 0.00 C ATOM 452 O PRO A 29 85.974 -9.763 23.899 1.00 0.00 O ATOM 453 CB PRO A 29 87.367 -11.604 21.674 1.00 0.00 C ATOM 454 CG PRO A 29 88.505 -10.634 21.572 1.00 0.00 C ATOM 455 CD PRO A 29 87.958 -9.412 20.831 1.00 0.00 C ATOM 0 HA PRO A 29 85.278 -11.162 21.124 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.453 -12.217 22.571 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.354 -12.285 20.823 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.871 -10.358 22.561 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.344 -11.073 21.032 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.454 -8.494 21.148 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.102 -9.497 19.754 1.00 0.00 H new ATOM 463 N PRO A 30 84.636 -11.474 23.536 1.00 0.00 N ATOM 464 CA PRO A 30 84.068 -11.449 24.906 1.00 0.00 C ATOM 465 C PRO A 30 85.160 -11.282 25.966 1.00 0.00 C ATOM 466 O PRO A 30 84.950 -10.698 27.003 1.00 0.00 O ATOM 467 CB PRO A 30 83.384 -12.821 25.066 1.00 0.00 C ATOM 468 CG PRO A 30 83.221 -13.396 23.681 1.00 0.00 C ATOM 469 CD PRO A 30 84.052 -12.540 22.709 1.00 0.00 C ATOM 0 HA PRO A 30 83.383 -10.612 25.040 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.986 -13.482 25.690 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.416 -12.715 25.556 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.556 -14.433 23.657 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.171 -13.393 23.389 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.828 -13.134 22.226 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.428 -12.126 21.917 1.00 0.00 H new ATOM 477 N VAL A 31 86.311 -11.830 25.722 1.00 0.00 N ATOM 478 CA VAL A 31 87.392 -11.742 26.735 1.00 0.00 C ATOM 479 C VAL A 31 87.664 -10.289 27.101 1.00 0.00 C ATOM 480 O VAL A 31 87.740 -9.947 28.263 1.00 0.00 O ATOM 481 CB VAL A 31 88.670 -12.385 26.181 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.834 -12.257 27.187 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.404 -13.868 25.919 1.00 0.00 C ATOM 0 H VAL A 31 86.551 -12.334 24.868 1.00 0.00 H new ATOM 0 HA VAL A 31 87.076 -12.273 27.633 1.00 0.00 H new ATOM 0 HB VAL A 31 88.947 -11.873 25.260 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.728 -12.721 26.770 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.030 -11.203 27.384 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.567 -12.757 28.118 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.306 -14.335 25.525 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.120 -14.357 26.851 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.596 -13.970 25.194 1.00 0.00 H new ATOM 493 N VAL A 32 87.829 -9.430 26.145 1.00 0.00 N ATOM 494 CA VAL A 32 88.114 -8.023 26.512 1.00 0.00 C ATOM 495 C VAL A 32 86.881 -7.414 27.170 1.00 0.00 C ATOM 496 O VAL A 32 86.965 -6.783 28.203 1.00 0.00 O ATOM 497 CB VAL A 32 88.499 -7.208 25.280 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.823 -5.779 25.717 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.737 -7.824 24.633 1.00 0.00 C ATOM 0 H VAL A 32 87.781 -9.632 25.146 1.00 0.00 H new ATOM 0 HA VAL A 32 88.952 -8.005 27.209 1.00 0.00 H new ATOM 0 HB VAL A 32 87.676 -7.205 24.565 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.100 -5.186 24.845 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.948 -5.337 26.194 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.652 -5.794 26.424 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.014 -7.244 23.753 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.561 -7.818 25.346 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.520 -8.851 24.338 1.00 0.00 H new ATOM 509 N ALA A 33 85.737 -7.596 26.578 1.00 0.00 N ATOM 510 CA ALA A 33 84.502 -7.021 27.172 1.00 0.00 C ATOM 511 C ALA A 33 84.181 -7.711 28.499 1.00 0.00 C ATOM 512 O ALA A 33 83.789 -7.077 29.460 1.00 0.00 O ATOM 513 CB ALA A 33 83.340 -7.213 26.199 1.00 0.00 C ATOM 0 H ALA A 33 85.603 -8.116 25.711 1.00 0.00 H new ATOM 0 HA ALA A 33 84.656 -5.958 27.359 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.431 -6.793 26.630 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.564 -6.707 25.260 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.194 -8.277 26.012 1.00 0.00 H new ATOM 519 N LYS A 34 84.340 -9.003 28.565 1.00 0.00 N ATOM 520 CA LYS A 34 84.043 -9.715 29.833 1.00 0.00 C ATOM 521 C LYS A 34 84.979 -9.217 30.931 1.00 0.00 C ATOM 522 O LYS A 34 84.587 -9.062 32.073 1.00 0.00 O ATOM 523 CB LYS A 34 84.245 -11.220 29.638 1.00 0.00 C ATOM 524 CG LYS A 34 83.200 -11.776 28.644 1.00 0.00 C ATOM 525 CD LYS A 34 81.974 -12.314 29.400 1.00 0.00 C ATOM 526 CE LYS A 34 82.239 -13.745 29.881 1.00 0.00 C ATOM 527 NZ LYS A 34 81.228 -14.111 30.910 1.00 0.00 N ATOM 0 H LYS A 34 84.662 -9.593 27.797 1.00 0.00 H new ATOM 0 HA LYS A 34 83.009 -9.521 30.120 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.251 -11.414 29.265 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.156 -11.733 30.595 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.893 -10.991 27.952 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.645 -12.572 28.046 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.751 -11.671 30.252 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.099 -12.297 28.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.189 -14.439 29.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 83.243 -13.821 30.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.404 -15.082 31.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.297 -13.455 31.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.275 -14.053 30.497 1.00 0.00 H new ATOM 541 N GLU A 35 86.219 -8.985 30.602 1.00 0.00 N ATOM 542 CA GLU A 35 87.183 -8.522 31.632 1.00 0.00 C ATOM 543 C GLU A 35 86.731 -7.188 32.230 1.00 0.00 C ATOM 544 O GLU A 35 86.862 -6.963 33.417 1.00 0.00 O ATOM 545 CB GLU A 35 88.569 -8.365 31.007 1.00 0.00 C ATOM 546 CG GLU A 35 89.623 -8.170 32.111 1.00 0.00 C ATOM 547 CD GLU A 35 89.622 -6.716 32.596 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.030 -5.886 31.930 1.00 0.00 O ATOM 549 OE2 GLU A 35 90.219 -6.457 33.629 1.00 0.00 O ATOM 0 H GLU A 35 86.604 -9.097 29.664 1.00 0.00 H new ATOM 0 HA GLU A 35 87.225 -9.264 32.429 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.811 -9.246 30.413 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.577 -7.511 30.329 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.414 -8.839 32.946 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.610 -8.433 31.731 1.00 0.00 H new ATOM 556 N ILE A 36 86.214 -6.290 31.433 1.00 0.00 N ATOM 557 CA ILE A 36 85.777 -4.981 31.998 1.00 0.00 C ATOM 558 C ILE A 36 84.710 -5.238 33.057 1.00 0.00 C ATOM 559 O ILE A 36 84.696 -4.620 34.100 1.00 0.00 O ATOM 560 CB ILE A 36 85.215 -4.081 30.887 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.303 -3.858 29.835 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.798 -2.720 31.471 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.797 -2.898 28.757 1.00 0.00 C ATOM 0 H ILE A 36 86.077 -6.404 30.429 1.00 0.00 H new ATOM 0 HA ILE A 36 86.630 -4.473 32.448 1.00 0.00 H new ATOM 0 HB ILE A 36 84.345 -4.561 30.439 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.198 -3.451 30.306 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.585 -4.809 29.384 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.401 -2.089 30.676 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.032 -2.870 32.232 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.665 -2.235 31.920 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.577 -2.744 28.012 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.915 -3.322 28.277 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.538 -1.943 29.213 1.00 0.00 H new ATOM 575 N VAL A 37 83.828 -6.164 32.810 1.00 0.00 N ATOM 576 CA VAL A 37 82.775 -6.463 33.822 1.00 0.00 C ATOM 577 C VAL A 37 83.455 -6.925 35.113 1.00 0.00 C ATOM 578 O VAL A 37 83.048 -6.567 36.204 1.00 0.00 O ATOM 579 CB VAL A 37 81.864 -7.575 33.290 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.893 -8.020 34.387 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.069 -7.054 32.090 1.00 0.00 C ATOM 0 H VAL A 37 83.789 -6.724 31.958 1.00 0.00 H new ATOM 0 HA VAL A 37 82.176 -5.573 34.018 1.00 0.00 H new ATOM 0 HB VAL A 37 82.476 -8.423 32.984 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.248 -8.810 34.003 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.456 -8.394 35.242 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.282 -7.172 34.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.421 -7.845 31.712 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.461 -6.203 32.398 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.758 -6.743 31.305 1.00 0.00 H new ATOM 591 N ALA A 38 84.492 -7.710 34.995 1.00 0.00 N ATOM 592 CA ALA A 38 85.220 -8.198 36.205 1.00 0.00 C ATOM 593 C ALA A 38 85.788 -7.006 36.978 1.00 0.00 C ATOM 594 O ALA A 38 85.928 -7.038 38.187 1.00 0.00 O ATOM 595 CB ALA A 38 86.369 -9.105 35.765 1.00 0.00 C ATOM 0 H ALA A 38 84.870 -8.037 34.106 1.00 0.00 H new ATOM 0 HA ALA A 38 84.533 -8.752 36.845 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.905 -9.465 36.643 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.970 -9.954 35.210 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.052 -8.544 35.128 1.00 0.00 H new ATOM 601 N SER A 39 86.126 -5.954 36.281 1.00 0.00 N ATOM 602 CA SER A 39 86.695 -4.754 36.957 1.00 0.00 C ATOM 603 C SER A 39 85.577 -4.014 37.682 1.00 0.00 C ATOM 604 O SER A 39 85.779 -3.427 38.727 1.00 0.00 O ATOM 605 CB SER A 39 87.325 -3.827 35.912 1.00 0.00 C ATOM 606 OG SER A 39 88.333 -4.530 35.200 1.00 0.00 O ATOM 0 H SER A 39 86.032 -5.875 35.268 1.00 0.00 H new ATOM 0 HA SER A 39 87.458 -5.063 37.672 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.561 -3.467 35.222 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.753 -2.951 36.399 1.00 0.00 H new ATOM 0 HG SER A 39 88.734 -3.937 34.531 1.00 0.00 H new ATOM 612 N CYS A 40 84.395 -4.038 37.138 1.00 0.00 N ATOM 613 CA CYS A 40 83.261 -3.339 37.798 1.00 0.00 C ATOM 614 C CYS A 40 82.699 -4.227 38.916 1.00 0.00 C ATOM 615 O CYS A 40 81.995 -5.184 38.667 1.00 0.00 O ATOM 616 CB CYS A 40 82.176 -3.065 36.760 1.00 0.00 C ATOM 617 SG CYS A 40 80.738 -2.326 37.563 1.00 0.00 S ATOM 0 H CYS A 40 84.165 -4.512 36.264 1.00 0.00 H new ATOM 0 HA CYS A 40 83.602 -2.397 38.227 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.558 -2.396 35.989 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.891 -3.993 36.264 1.00 0.00 H new ATOM 622 N ASP A 41 83.016 -3.921 40.145 1.00 0.00 N ATOM 623 CA ASP A 41 82.512 -4.738 41.287 1.00 0.00 C ATOM 624 C ASP A 41 80.988 -4.685 41.332 1.00 0.00 C ATOM 625 O ASP A 41 80.338 -5.603 41.793 1.00 0.00 O ATOM 626 CB ASP A 41 83.063 -4.183 42.602 1.00 0.00 C ATOM 627 CG ASP A 41 84.563 -4.460 42.680 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.057 -5.166 41.817 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.190 -3.970 43.605 1.00 0.00 O ATOM 0 H ASP A 41 83.608 -3.133 40.409 1.00 0.00 H new ATOM 0 HA ASP A 41 82.840 -5.769 41.152 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.876 -3.111 42.664 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.552 -4.645 43.447 1.00 0.00 H new ATOM 634 N LYS A 42 80.411 -3.608 40.889 1.00 0.00 N ATOM 635 CA LYS A 42 78.931 -3.499 40.941 1.00 0.00 C ATOM 636 C LYS A 42 78.293 -4.478 39.955 1.00 0.00 C ATOM 637 O LYS A 42 77.306 -5.117 40.263 1.00 0.00 O ATOM 638 CB LYS A 42 78.512 -2.062 40.593 1.00 0.00 C ATOM 639 CG LYS A 42 78.961 -1.122 41.721 1.00 0.00 C ATOM 640 CD LYS A 42 78.540 0.325 41.414 1.00 0.00 C ATOM 641 CE LYS A 42 77.029 0.496 41.614 1.00 0.00 C ATOM 642 NZ LYS A 42 76.709 1.945 41.735 1.00 0.00 N ATOM 0 H LYS A 42 80.897 -2.802 40.495 1.00 0.00 H new ATOM 0 HA LYS A 42 78.591 -3.745 41.947 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.962 -1.757 39.648 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.431 -2.006 40.464 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.522 -1.442 42.666 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.043 -1.175 41.838 1.00 0.00 H new ATOM 0 HD2 LYS A 42 79.080 1.013 42.065 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.809 0.579 40.389 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.488 0.061 40.773 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.707 -0.035 42.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.685 2.064 41.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.215 2.345 42.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.003 2.439 40.868 1.00 0.00 H new ATOM 656 N CYS A 43 78.848 -4.633 38.780 1.00 0.00 N ATOM 657 CA CYS A 43 78.251 -5.601 37.807 1.00 0.00 C ATOM 658 C CYS A 43 78.783 -7.007 38.086 1.00 0.00 C ATOM 659 O CYS A 43 78.129 -7.986 37.796 1.00 0.00 O ATOM 660 CB CYS A 43 78.599 -5.204 36.371 1.00 0.00 C ATOM 661 SG CYS A 43 77.689 -3.706 35.910 1.00 0.00 S ATOM 0 H CYS A 43 79.678 -4.139 38.454 1.00 0.00 H new ATOM 0 HA CYS A 43 77.167 -5.586 37.925 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.671 -5.031 36.282 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.349 -6.017 35.689 1.00 0.00 H new ATOM 666 N GLN A 44 79.948 -7.121 38.652 1.00 0.00 N ATOM 667 CA GLN A 44 80.479 -8.477 38.945 1.00 0.00 C ATOM 668 C GLN A 44 79.778 -8.997 40.196 1.00 0.00 C ATOM 669 O GLN A 44 78.931 -9.866 40.130 1.00 0.00 O ATOM 670 CB GLN A 44 81.981 -8.398 39.189 1.00 0.00 C ATOM 671 CG GLN A 44 82.551 -9.811 39.264 1.00 0.00 C ATOM 672 CD GLN A 44 84.040 -9.737 39.601 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.661 -10.744 39.888 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 84.644 -8.579 39.586 1.00 0.00 N flip ATOM 0 H GLN A 44 80.550 -6.343 38.922 1.00 0.00 H new ATOM 0 HA GLN A 44 80.298 -9.147 38.104 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.463 -7.840 38.386 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.183 -7.861 40.116 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.023 -10.389 40.022 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.406 -10.325 38.314 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.124 -7.735 39.345 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.636 -8.518 39.815 1.00 0.00 H new ATOM 683 N LEU A 45 80.102 -8.445 41.330 1.00 0.00 N ATOM 684 CA LEU A 45 79.433 -8.876 42.587 1.00 0.00 C ATOM 685 C LEU A 45 78.117 -8.108 42.705 1.00 0.00 C ATOM 686 O LEU A 45 78.102 -6.933 43.015 1.00 0.00 O ATOM 687 CB LEU A 45 80.324 -8.537 43.777 1.00 0.00 C ATOM 688 CG LEU A 45 81.751 -9.020 43.508 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.634 -8.684 44.710 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.754 -10.537 43.269 1.00 0.00 C ATOM 0 H LEU A 45 80.803 -7.712 41.441 1.00 0.00 H new ATOM 0 HA LEU A 45 79.250 -9.950 42.573 1.00 0.00 H new ATOM 0 HB2 LEU A 45 80.321 -7.461 43.951 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.935 -9.007 44.680 1.00 0.00 H new ATOM 0 HG LEU A 45 82.140 -8.522 42.620 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.651 -9.027 44.521 1.00 0.00 H new ATOM 0 HD12 LEU A 45 82.638 -7.606 44.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 82.243 -9.180 45.599 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.773 -10.873 43.078 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.363 -11.045 44.151 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.128 -10.771 42.408 1.00 0.00 H new ATOM 702 N LYS A 46 77.014 -8.749 42.435 1.00 0.00 N ATOM 703 CA LYS A 46 75.697 -8.043 42.503 1.00 0.00 C ATOM 704 C LYS A 46 75.104 -8.160 43.906 1.00 0.00 C ATOM 705 O LYS A 46 74.053 -7.615 44.192 1.00 0.00 O ATOM 706 CB LYS A 46 74.752 -8.671 41.488 1.00 0.00 C ATOM 707 CG LYS A 46 75.358 -8.528 40.096 1.00 0.00 C ATOM 708 CD LYS A 46 74.327 -8.941 39.052 1.00 0.00 C ATOM 709 CE LYS A 46 74.985 -8.960 37.674 1.00 0.00 C ATOM 710 NZ LYS A 46 73.955 -9.197 36.625 1.00 0.00 N ATOM 0 H LYS A 46 76.964 -9.733 42.170 1.00 0.00 H new ATOM 0 HA LYS A 46 75.838 -6.986 42.276 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.591 -9.723 41.723 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.778 -8.183 41.527 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.671 -7.497 39.927 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.249 -9.150 40.009 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.926 -9.926 39.290 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.488 -8.245 39.058 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.493 -8.013 37.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.744 -9.741 37.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.409 -9.209 35.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.490 -10.111 36.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.246 -8.437 36.656 1.00 0.00 H new ATOM 724 N GLY A 47 75.773 -8.859 44.784 1.00 0.00 N ATOM 725 CA GLY A 47 75.271 -9.019 46.186 1.00 0.00 C ATOM 726 C GLY A 47 74.934 -10.486 46.452 1.00 0.00 C ATOM 727 O GLY A 47 73.789 -10.847 46.627 1.00 0.00 O ATOM 0 H GLY A 47 76.656 -9.332 44.590 1.00 0.00 H new ATOM 0 HA2 GLY A 47 76.026 -8.676 46.893 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.387 -8.400 46.338 1.00 0.00 H new ATOM 731 N GLU A 48 75.927 -11.334 46.504 1.00 0.00 N ATOM 732 CA GLU A 48 75.659 -12.776 46.781 1.00 0.00 C ATOM 733 C GLU A 48 75.555 -12.971 48.295 1.00 0.00 C ATOM 734 O GLU A 48 76.444 -12.618 49.039 1.00 0.00 O ATOM 735 CB GLU A 48 76.798 -13.638 46.228 1.00 0.00 C ATOM 736 CG GLU A 48 76.451 -15.114 46.430 1.00 0.00 C ATOM 737 CD GLU A 48 77.590 -15.986 45.904 1.00 0.00 C ATOM 738 OE1 GLU A 48 78.583 -15.428 45.470 1.00 0.00 O ATOM 739 OE2 GLU A 48 77.450 -17.194 45.947 1.00 0.00 O ATOM 0 H GLU A 48 76.908 -11.092 46.367 1.00 0.00 H new ATOM 0 HA GLU A 48 74.729 -13.076 46.299 1.00 0.00 H new ATOM 0 HB2 GLU A 48 76.948 -13.428 45.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 77.732 -13.398 46.736 1.00 0.00 H new ATOM 0 HG2 GLU A 48 76.283 -15.317 47.488 1.00 0.00 H new ATOM 0 HG3 GLU A 48 75.525 -15.355 45.908 1.00 0.00 H new ATOM 746 N ALA A 49 74.461 -13.518 48.759 1.00 0.00 N ATOM 747 CA ALA A 49 74.274 -13.727 50.232 1.00 0.00 C ATOM 748 C ALA A 49 74.555 -15.179 50.615 1.00 0.00 C ATOM 749 O ALA A 49 74.534 -16.072 49.792 1.00 0.00 O ATOM 750 CB ALA A 49 72.836 -13.383 50.614 1.00 0.00 C ATOM 0 H ALA A 49 73.683 -13.832 48.179 1.00 0.00 H new ATOM 0 HA ALA A 49 74.973 -13.081 50.763 1.00 0.00 H new ATOM 0 HB1 ALA A 49 72.698 -13.534 51.685 1.00 0.00 H new ATOM 0 HB2 ALA A 49 72.633 -12.341 50.365 1.00 0.00 H new ATOM 0 HB3 ALA A 49 72.150 -14.028 50.065 1.00 0.00 H new ATOM 756 N MET A 50 74.817 -15.408 51.877 1.00 0.00 N ATOM 757 CA MET A 50 75.105 -16.786 52.361 1.00 0.00 C ATOM 758 C MET A 50 74.466 -16.991 53.746 1.00 0.00 C ATOM 759 O MET A 50 73.293 -16.744 53.941 1.00 0.00 O ATOM 760 CB MET A 50 76.621 -16.975 52.467 1.00 0.00 C ATOM 761 CG MET A 50 76.958 -18.465 52.594 1.00 0.00 C ATOM 762 SD MET A 50 77.009 -19.214 50.949 1.00 0.00 S ATOM 763 CE MET A 50 76.834 -20.931 51.494 1.00 0.00 C ATOM 0 H MET A 50 74.843 -14.688 52.599 1.00 0.00 H new ATOM 0 HA MET A 50 74.691 -17.512 51.662 1.00 0.00 H new ATOM 0 HB2 MET A 50 77.110 -16.557 51.587 1.00 0.00 H new ATOM 0 HB3 MET A 50 77.003 -16.433 53.332 1.00 0.00 H new ATOM 0 HG2 MET A 50 77.919 -18.590 53.092 1.00 0.00 H new ATOM 0 HG3 MET A 50 76.212 -18.966 53.211 1.00 0.00 H new ATOM 0 HE1 MET A 50 76.840 -21.591 50.626 1.00 0.00 H new ATOM 0 HE2 MET A 50 77.663 -21.190 52.152 1.00 0.00 H new ATOM 0 HE3 MET A 50 75.893 -21.048 52.032 1.00 0.00 H new ATOM 773 N HIS A 51 75.235 -17.451 54.703 1.00 0.00 N ATOM 774 CA HIS A 51 74.690 -17.689 56.073 1.00 0.00 C ATOM 775 C HIS A 51 73.376 -18.464 55.981 1.00 0.00 C ATOM 776 O HIS A 51 73.366 -19.666 55.822 1.00 0.00 O ATOM 777 CB HIS A 51 74.456 -16.347 56.775 1.00 0.00 C ATOM 778 CG HIS A 51 75.782 -15.775 57.199 1.00 0.00 C ATOM 779 ND1 HIS A 51 76.724 -16.535 57.877 1.00 0.00 N ATOM 780 CD2 HIS A 51 76.335 -14.525 57.060 1.00 0.00 C ATOM 781 CE1 HIS A 51 77.783 -15.746 58.121 1.00 0.00 C ATOM 782 NE2 HIS A 51 77.597 -14.513 57.646 1.00 0.00 N ATOM 0 H HIS A 51 76.224 -17.673 54.591 1.00 0.00 H new ATOM 0 HA HIS A 51 75.407 -18.274 56.648 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.946 -15.656 56.104 1.00 0.00 H new ATOM 0 HB3 HIS A 51 73.811 -16.484 57.643 1.00 0.00 H new ATOM 0 HD2 HIS A 51 75.864 -13.684 56.573 1.00 0.00 H new ATOM 0 HE1 HIS A 51 78.675 -16.069 58.638 1.00 0.00 H new ATOM 0 HE2 HIS A 51 78.244 -13.727 57.701 1.00 0.00 H new ATOM 790 N GLY A 52 72.261 -17.794 56.078 1.00 0.00 N ATOM 791 CA GLY A 52 70.951 -18.505 55.992 1.00 0.00 C ATOM 792 C GLY A 52 70.595 -19.126 57.351 1.00 0.00 C ATOM 793 O GLY A 52 69.802 -18.584 58.098 1.00 0.00 O ATOM 0 H GLY A 52 72.199 -16.785 56.213 1.00 0.00 H new ATOM 0 HA2 GLY A 52 70.170 -17.809 55.686 1.00 0.00 H new ATOM 0 HA3 GLY A 52 71.000 -19.283 55.230 1.00 0.00 H new ATOM 797 N GLN A 53 71.168 -20.262 57.677 1.00 0.00 N ATOM 798 CA GLN A 53 70.853 -20.910 58.989 1.00 0.00 C ATOM 799 C GLN A 53 71.715 -20.293 60.088 1.00 0.00 C ATOM 800 O GLN A 53 71.755 -20.780 61.205 1.00 0.00 O ATOM 801 CB GLN A 53 71.140 -22.417 58.921 1.00 0.00 C ATOM 802 CG GLN A 53 70.263 -23.069 57.852 1.00 0.00 C ATOM 803 CD GLN A 53 70.550 -24.573 57.797 1.00 0.00 C ATOM 804 OE1 GLN A 53 70.792 -25.196 58.810 1.00 0.00 O ATOM 805 NE2 GLN A 53 70.518 -25.183 56.645 1.00 0.00 N ATOM 0 H GLN A 53 71.837 -20.765 57.094 1.00 0.00 H new ATOM 0 HA GLN A 53 69.797 -20.752 59.210 1.00 0.00 H new ATOM 0 HB2 GLN A 53 72.192 -22.585 58.692 1.00 0.00 H new ATOM 0 HB3 GLN A 53 70.948 -22.876 59.891 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.210 -22.898 58.077 1.00 0.00 H new ATOM 0 HG3 GLN A 53 70.459 -22.616 56.880 1.00 0.00 H new ATOM 0 HE21 GLN A 53 70.314 -24.657 55.795 1.00 0.00 H new ATOM 0 HE22 GLN A 53 70.697 -26.186 56.594 1.00 0.00 H new ATOM 814 N VAL A 54 72.401 -19.233 59.773 1.00 0.00 N ATOM 815 CA VAL A 54 73.287 -18.567 60.779 1.00 0.00 C ATOM 816 C VAL A 54 74.294 -19.591 61.324 1.00 0.00 C ATOM 817 O VAL A 54 74.071 -20.781 61.275 1.00 0.00 O ATOM 818 CB VAL A 54 72.451 -17.996 61.935 1.00 0.00 C ATOM 819 CG1 VAL A 54 73.260 -16.918 62.665 1.00 0.00 C ATOM 820 CG2 VAL A 54 71.168 -17.371 61.378 1.00 0.00 C ATOM 0 H VAL A 54 72.389 -18.791 58.854 1.00 0.00 H new ATOM 0 HA VAL A 54 73.819 -17.747 60.297 1.00 0.00 H new ATOM 0 HB VAL A 54 72.197 -18.798 62.628 1.00 0.00 H new ATOM 0 HG11 VAL A 54 72.668 -16.512 63.485 1.00 0.00 H new ATOM 0 HG12 VAL A 54 74.176 -17.356 63.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 73.512 -16.118 61.969 1.00 0.00 H new ATOM 0 HG21 VAL A 54 70.575 -16.966 62.198 1.00 0.00 H new ATOM 0 HG22 VAL A 54 71.425 -16.569 60.685 1.00 0.00 H new ATOM 0 HG23 VAL A 54 70.590 -18.132 60.854 1.00 0.00 H new ATOM 830 N ASP A 55 75.406 -19.141 61.847 1.00 0.00 N ATOM 831 CA ASP A 55 76.413 -20.106 62.392 1.00 0.00 C ATOM 832 C ASP A 55 76.098 -20.376 63.862 1.00 0.00 C ATOM 833 O ASP A 55 75.821 -19.425 64.575 1.00 0.00 O ATOM 834 CB ASP A 55 77.819 -19.515 62.269 1.00 0.00 C ATOM 835 CG ASP A 55 78.856 -20.558 62.700 1.00 0.00 C ATOM 836 OD1 ASP A 55 78.465 -21.538 63.316 1.00 0.00 O ATOM 837 OD2 ASP A 55 80.023 -20.361 62.404 1.00 0.00 O ATOM 838 OXT ASP A 55 76.140 -21.533 64.254 1.00 0.00 O ATOM 0 H ASP A 55 75.661 -18.156 61.921 1.00 0.00 H new ATOM 0 HA ASP A 55 76.369 -21.037 61.827 1.00 0.00 H new ATOM 0 HB2 ASP A 55 78.005 -19.206 61.241 1.00 0.00 H new ATOM 0 HB3 ASP A 55 77.905 -18.624 62.890 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.792 -14.013 21.486 1.00 0.00 N ATOM 845 CA PHE B 1 92.870 -13.936 22.655 1.00 0.00 C ATOM 846 C PHE B 1 92.431 -15.342 23.061 1.00 0.00 C ATOM 847 O PHE B 1 92.723 -15.814 24.141 1.00 0.00 O ATOM 848 CB PHE B 1 91.623 -13.126 22.278 1.00 0.00 C ATOM 849 CG PHE B 1 91.994 -11.691 21.993 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.338 -11.308 20.693 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.982 -10.737 23.025 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.673 -9.978 20.419 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.321 -9.407 22.749 1.00 0.00 C ATOM 854 CZ PHE B 1 92.664 -9.028 21.445 1.00 0.00 C ATOM 0 H1 PHE B 1 93.682 -13.161 20.900 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.774 -14.077 21.822 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.564 -14.855 20.919 1.00 0.00 H new ATOM 0 HA PHE B 1 93.392 -13.455 23.483 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.147 -13.566 21.402 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.896 -13.166 23.090 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.345 -12.040 19.899 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.712 -11.029 24.029 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.939 -9.685 19.414 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.318 -8.673 23.542 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.922 -8.001 21.232 1.00 0.00 H new ATOM 866 N LEU B 2 91.695 -15.994 22.212 1.00 0.00 N ATOM 867 CA LEU B 2 91.183 -17.354 22.534 1.00 0.00 C ATOM 868 C LEU B 2 92.295 -18.417 22.454 1.00 0.00 C ATOM 869 O LEU B 2 92.304 -19.365 23.210 1.00 0.00 O ATOM 870 CB LEU B 2 90.083 -17.688 21.524 1.00 0.00 C ATOM 871 CG LEU B 2 89.080 -16.523 21.438 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.904 -16.931 20.544 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.561 -16.167 22.838 1.00 0.00 C ATOM 0 H LEU B 2 91.421 -15.640 21.296 1.00 0.00 H new ATOM 0 HA LEU B 2 90.801 -17.360 23.555 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.522 -17.875 20.544 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.568 -18.601 21.822 1.00 0.00 H new ATOM 0 HG LEU B 2 89.580 -15.652 21.014 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.192 -16.108 20.481 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.271 -17.170 19.546 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.411 -17.806 20.968 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.853 -15.342 22.764 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.064 -17.034 23.273 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.397 -15.872 23.472 1.00 0.00 H new ATOM 885 N ASP B 3 93.208 -18.292 21.526 1.00 0.00 N ATOM 886 CA ASP B 3 94.286 -19.325 21.383 1.00 0.00 C ATOM 887 C ASP B 3 95.220 -19.347 22.592 1.00 0.00 C ATOM 888 O ASP B 3 95.501 -20.389 23.153 1.00 0.00 O ATOM 889 CB ASP B 3 95.117 -19.016 20.139 1.00 0.00 C ATOM 890 CG ASP B 3 96.034 -20.203 19.835 1.00 0.00 C ATOM 891 OD1 ASP B 3 96.132 -21.081 20.676 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.625 -20.210 18.769 1.00 0.00 O ATOM 0 H ASP B 3 93.257 -17.521 20.860 1.00 0.00 H new ATOM 0 HA ASP B 3 93.801 -20.298 21.303 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.462 -18.821 19.290 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.710 -18.115 20.298 1.00 0.00 H new ATOM 897 N GLY B 4 95.723 -18.217 22.988 1.00 0.00 N ATOM 898 CA GLY B 4 96.657 -18.198 24.144 1.00 0.00 C ATOM 899 C GLY B 4 95.889 -18.531 25.420 1.00 0.00 C ATOM 900 O GLY B 4 96.332 -19.315 26.238 1.00 0.00 O ATOM 0 H GLY B 4 95.530 -17.309 22.565 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.459 -18.920 23.990 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.124 -17.217 24.233 1.00 0.00 H new ATOM 904 N ILE B 5 94.744 -17.946 25.591 1.00 0.00 N ATOM 905 CA ILE B 5 93.937 -18.222 26.802 1.00 0.00 C ATOM 906 C ILE B 5 93.596 -19.708 26.876 1.00 0.00 C ATOM 907 O ILE B 5 93.584 -20.298 27.939 1.00 0.00 O ATOM 908 CB ILE B 5 92.659 -17.393 26.743 1.00 0.00 C ATOM 909 CG1 ILE B 5 93.038 -15.919 26.901 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.706 -17.804 27.874 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.842 -15.002 26.590 1.00 0.00 C ATOM 0 H ILE B 5 94.329 -17.282 24.937 1.00 0.00 H new ATOM 0 HA ILE B 5 94.506 -17.954 27.692 1.00 0.00 H new ATOM 0 HB ILE B 5 92.155 -17.557 25.791 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.385 -15.737 27.918 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.866 -15.680 26.234 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.797 -17.204 27.820 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.451 -18.859 27.770 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.192 -17.641 28.836 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.141 -13.961 26.711 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.513 -15.169 25.564 1.00 0.00 H new ATOM 0 HD13 ILE B 5 91.024 -15.226 27.275 1.00 0.00 H new ATOM 923 N ASP B 6 93.305 -20.322 25.766 1.00 0.00 N ATOM 924 CA ASP B 6 92.956 -21.766 25.814 1.00 0.00 C ATOM 925 C ASP B 6 94.091 -22.530 26.490 1.00 0.00 C ATOM 926 O ASP B 6 93.866 -23.352 27.356 1.00 0.00 O ATOM 927 CB ASP B 6 92.748 -22.292 24.392 1.00 0.00 C ATOM 928 CG ASP B 6 92.220 -23.727 24.445 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.226 -24.302 25.520 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.814 -24.228 23.406 1.00 0.00 O ATOM 0 H ASP B 6 93.293 -19.894 24.840 1.00 0.00 H new ATOM 0 HA ASP B 6 92.035 -21.905 26.381 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.044 -21.655 23.858 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.688 -22.260 23.841 1.00 0.00 H new ATOM 935 N LYS B 7 95.310 -22.263 26.124 1.00 0.00 N ATOM 936 CA LYS B 7 96.438 -22.973 26.780 1.00 0.00 C ATOM 937 C LYS B 7 96.565 -22.494 28.224 1.00 0.00 C ATOM 938 O LYS B 7 96.765 -23.269 29.135 1.00 0.00 O ATOM 939 CB LYS B 7 97.733 -22.659 26.032 1.00 0.00 C ATOM 940 CG LYS B 7 97.632 -23.136 24.581 1.00 0.00 C ATOM 941 CD LYS B 7 98.960 -22.849 23.877 1.00 0.00 C ATOM 942 CE LYS B 7 98.829 -23.109 22.373 1.00 0.00 C ATOM 943 NZ LYS B 7 100.064 -22.640 21.678 1.00 0.00 N ATOM 0 H LYS B 7 95.573 -21.589 25.405 1.00 0.00 H new ATOM 0 HA LYS B 7 96.253 -24.047 26.764 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.926 -21.587 26.058 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.574 -23.146 26.525 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.410 -24.203 24.548 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.816 -22.625 24.071 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.255 -21.814 24.050 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.745 -23.479 24.295 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.677 -24.172 22.189 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.956 -22.589 21.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.976 -22.816 20.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.190 -21.621 21.844 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.888 -23.156 22.048 1.00 0.00 H new ATOM 957 N ALA B 8 96.446 -21.217 28.438 1.00 0.00 N ATOM 958 CA ALA B 8 96.558 -20.688 29.820 1.00 0.00 C ATOM 959 C ALA B 8 95.378 -21.177 30.654 1.00 0.00 C ATOM 960 O ALA B 8 95.511 -21.440 31.830 1.00 0.00 O ATOM 961 CB ALA B 8 96.575 -19.156 29.793 1.00 0.00 C ATOM 0 H ALA B 8 96.276 -20.517 27.716 1.00 0.00 H new ATOM 0 HA ALA B 8 97.486 -21.046 30.266 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.657 -18.775 30.811 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.427 -18.812 29.207 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.653 -18.790 29.342 1.00 0.00 H new ATOM 967 N GLN B 9 94.223 -21.285 30.063 1.00 0.00 N ATOM 968 CA GLN B 9 93.039 -21.738 30.842 1.00 0.00 C ATOM 969 C GLN B 9 93.310 -23.123 31.431 1.00 0.00 C ATOM 970 O GLN B 9 92.980 -23.394 32.570 1.00 0.00 O ATOM 971 CB GLN B 9 91.824 -21.798 29.921 1.00 0.00 C ATOM 972 CG GLN B 9 90.564 -22.012 30.757 1.00 0.00 C ATOM 973 CD GLN B 9 89.348 -22.086 29.834 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.460 -21.878 28.644 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.181 -22.372 30.339 1.00 0.00 N ATOM 0 H GLN B 9 94.047 -21.080 29.079 1.00 0.00 H new ATOM 0 HA GLN B 9 92.846 -21.037 31.654 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.742 -20.874 29.349 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.939 -22.609 29.202 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.651 -22.931 31.337 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.444 -21.196 31.470 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.087 -22.547 31.340 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.361 -22.421 29.734 1.00 0.00 H new ATOM 984 N GLU B 10 93.929 -23.999 30.686 1.00 0.00 N ATOM 985 CA GLU B 10 94.224 -25.345 31.247 1.00 0.00 C ATOM 986 C GLU B 10 95.138 -25.177 32.461 1.00 0.00 C ATOM 987 O GLU B 10 94.979 -25.837 33.469 1.00 0.00 O ATOM 988 CB GLU B 10 94.912 -26.207 30.186 1.00 0.00 C ATOM 989 CG GLU B 10 95.061 -27.641 30.699 1.00 0.00 C ATOM 990 CD GLU B 10 95.788 -28.479 29.645 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.121 -27.930 28.610 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.997 -29.656 29.892 1.00 0.00 O ATOM 0 H GLU B 10 94.239 -23.843 29.727 1.00 0.00 H new ATOM 0 HA GLU B 10 93.299 -25.837 31.548 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.330 -26.199 29.265 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.892 -25.793 29.947 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.619 -27.649 31.635 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.081 -28.069 30.908 1.00 0.00 H new ATOM 999 N GLU B 11 96.088 -24.278 32.379 1.00 0.00 N ATOM 1000 CA GLU B 11 97.003 -24.052 33.536 1.00 0.00 C ATOM 1001 C GLU B 11 96.188 -23.571 34.728 1.00 0.00 C ATOM 1002 O GLU B 11 96.393 -24.002 35.847 1.00 0.00 O ATOM 1003 CB GLU B 11 98.045 -22.988 33.175 1.00 0.00 C ATOM 1004 CG GLU B 11 99.072 -22.849 34.313 1.00 0.00 C ATOM 1005 CD GLU B 11 98.494 -22.009 35.458 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.550 -21.276 35.219 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.013 -22.110 36.559 1.00 0.00 O ATOM 0 H GLU B 11 96.268 -23.693 31.563 1.00 0.00 H new ATOM 0 HA GLU B 11 97.511 -24.984 33.783 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.551 -23.262 32.249 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.554 -22.031 32.999 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.350 -23.836 34.683 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.982 -22.382 33.935 1.00 0.00 H new ATOM 1014 N HIS B 12 95.260 -22.685 34.503 1.00 0.00 N ATOM 1015 CA HIS B 12 94.440 -22.194 35.635 1.00 0.00 C ATOM 1016 C HIS B 12 93.706 -23.372 36.263 1.00 0.00 C ATOM 1017 O HIS B 12 93.675 -23.532 37.461 1.00 0.00 O ATOM 1018 CB HIS B 12 93.406 -21.176 35.153 1.00 0.00 C ATOM 1019 CG HIS B 12 92.668 -20.688 36.360 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.851 -19.403 36.890 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.827 -21.339 37.222 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.139 -19.335 38.034 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.520 -20.481 38.254 1.00 0.00 N ATOM 0 H HIS B 12 95.038 -22.285 33.592 1.00 0.00 H new ATOM 0 HA HIS B 12 95.098 -21.716 36.361 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.893 -20.347 34.639 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.719 -21.633 34.441 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.418 -18.657 36.486 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.467 -22.351 37.112 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.083 -18.469 38.677 1.00 0.00 H new ATOM 1031 N GLU B 13 93.108 -24.197 35.452 1.00 0.00 N ATOM 1032 CA GLU B 13 92.369 -25.370 35.992 1.00 0.00 C ATOM 1033 C GLU B 13 93.322 -26.286 36.776 1.00 0.00 C ATOM 1034 O GLU B 13 92.961 -26.834 37.801 1.00 0.00 O ATOM 1035 CB GLU B 13 91.738 -26.145 34.828 1.00 0.00 C ATOM 1036 CG GLU B 13 90.785 -27.211 35.378 1.00 0.00 C ATOM 1037 CD GLU B 13 90.174 -27.995 34.213 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.324 -27.550 33.087 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.577 -29.025 34.468 1.00 0.00 O ATOM 0 H GLU B 13 93.099 -24.109 34.436 1.00 0.00 H new ATOM 0 HA GLU B 13 91.588 -25.024 36.669 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.197 -25.462 34.174 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.516 -26.614 34.226 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.322 -27.887 36.044 1.00 0.00 H new ATOM 0 HG3 GLU B 13 89.998 -26.742 35.968 1.00 0.00 H new ATOM 1046 N LYS B 14 94.523 -26.477 36.292 1.00 0.00 N ATOM 1047 CA LYS B 14 95.487 -27.378 36.998 1.00 0.00 C ATOM 1048 C LYS B 14 95.909 -26.831 38.370 1.00 0.00 C ATOM 1049 O LYS B 14 96.251 -27.598 39.247 1.00 0.00 O ATOM 1050 CB LYS B 14 96.748 -27.587 36.149 1.00 0.00 C ATOM 1051 CG LYS B 14 96.439 -28.469 34.934 1.00 0.00 C ATOM 1052 CD LYS B 14 97.750 -28.858 34.234 1.00 0.00 C ATOM 1053 CE LYS B 14 98.310 -27.667 33.456 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.422 -28.136 32.587 1.00 0.00 N ATOM 0 H LYS B 14 94.879 -26.048 35.438 1.00 0.00 H new ATOM 0 HA LYS B 14 94.967 -28.324 37.150 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.134 -26.623 35.817 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.527 -28.051 36.753 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.903 -29.365 35.249 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.789 -27.936 34.241 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.478 -29.194 34.972 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.574 -29.694 33.556 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.526 -27.210 32.851 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.668 -26.902 34.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.809 -27.331 32.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.171 -28.553 33.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.065 -28.852 31.923 1.00 0.00 H new ATOM 1068 N TYR B 15 95.959 -25.531 38.564 1.00 0.00 N ATOM 1069 CA TYR B 15 96.442 -25.000 39.890 1.00 0.00 C ATOM 1070 C TYR B 15 95.624 -23.801 40.384 1.00 0.00 C ATOM 1071 O TYR B 15 95.869 -23.296 41.460 1.00 0.00 O ATOM 1072 CB TYR B 15 97.895 -24.548 39.734 1.00 0.00 C ATOM 1073 CG TYR B 15 98.721 -25.663 39.145 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.307 -26.618 39.983 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.911 -25.738 37.757 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.083 -27.647 39.442 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.692 -26.766 37.219 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.275 -27.719 38.059 1.00 0.00 C ATOM 1079 OH TYR B 15 101.051 -28.723 37.523 1.00 0.00 O ATOM 0 H TYR B 15 95.693 -24.824 37.878 1.00 0.00 H new ATOM 0 HA TYR B 15 96.336 -25.803 40.620 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.944 -23.669 39.091 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.300 -24.257 40.703 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.159 -26.560 41.051 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.456 -25.005 37.107 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.533 -28.384 40.090 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.845 -26.824 36.151 1.00 0.00 H new ATOM 0 HH TYR B 15 101.081 -28.628 36.548 1.00 0.00 H new ATOM 1089 N HIS B 16 94.700 -23.304 39.615 1.00 0.00 N ATOM 1090 CA HIS B 16 93.927 -22.106 40.065 1.00 0.00 C ATOM 1091 C HIS B 16 94.929 -21.012 40.419 1.00 0.00 C ATOM 1092 O HIS B 16 94.810 -20.344 41.428 1.00 0.00 O ATOM 1093 CB HIS B 16 93.061 -22.409 41.301 1.00 0.00 C ATOM 1094 CG HIS B 16 91.883 -23.282 40.942 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.717 -22.806 40.356 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.651 -24.629 41.122 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.851 -23.809 40.203 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.374 -24.953 40.655 1.00 0.00 N ATOM 0 H HIS B 16 94.444 -23.670 38.698 1.00 0.00 H new ATOM 0 HA HIS B 16 93.258 -21.799 39.261 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.666 -22.905 42.060 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.706 -21.475 41.737 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.350 -25.328 41.558 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.865 -23.710 39.774 1.00 0.00 H new ATOM 0 HE2 HIS B 16 89.932 -25.872 40.658 1.00 0.00 H new ATOM 1106 N SER B 17 95.930 -20.842 39.601 1.00 0.00 N ATOM 1107 CA SER B 17 96.962 -19.814 39.889 1.00 0.00 C ATOM 1108 C SER B 17 96.372 -18.406 39.762 1.00 0.00 C ATOM 1109 O SER B 17 95.409 -18.185 39.057 1.00 0.00 O ATOM 1110 CB SER B 17 98.121 -19.981 38.906 1.00 0.00 C ATOM 1111 OG SER B 17 97.638 -19.850 37.577 1.00 0.00 O ATOM 0 H SER B 17 96.076 -21.374 38.743 1.00 0.00 H new ATOM 0 HA SER B 17 97.320 -19.945 40.910 1.00 0.00 H new ATOM 0 HB2 SER B 17 98.888 -19.231 39.101 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.588 -20.957 39.040 1.00 0.00 H new ATOM 0 HG SER B 17 98.395 -19.763 36.961 1.00 0.00 H new ATOM 1117 N ASN B 18 96.959 -17.452 40.441 1.00 0.00 N ATOM 1118 CA ASN B 18 96.457 -16.050 40.371 1.00 0.00 C ATOM 1119 C ASN B 18 96.781 -15.459 38.995 1.00 0.00 C ATOM 1120 O ASN B 18 97.652 -15.931 38.299 1.00 0.00 O ATOM 1121 CB ASN B 18 97.134 -15.216 41.460 1.00 0.00 C ATOM 1122 CG ASN B 18 96.797 -15.798 42.834 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.586 -16.230 43.069 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 97.641 -15.855 43.707 1.00 0.00 N flip ATOM 0 H ASN B 18 97.770 -17.588 41.044 1.00 0.00 H new ATOM 0 HA ASN B 18 95.378 -16.040 40.523 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.214 -15.211 41.310 1.00 0.00 H new ATOM 0 HB3 ASN B 18 96.799 -14.180 41.400 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.586 -15.518 43.525 1.00 0.00 H new ATOM 0 HD22 ASN B 18 97.404 -16.240 44.621 1.00 0.00 H new ATOM 1131 N TRP B 19 96.073 -14.437 38.595 1.00 0.00 N ATOM 1132 CA TRP B 19 96.329 -13.828 37.259 1.00 0.00 C ATOM 1133 C TRP B 19 97.790 -13.383 37.145 1.00 0.00 C ATOM 1134 O TRP B 19 98.359 -13.381 36.070 1.00 0.00 O ATOM 1135 CB TRP B 19 95.384 -12.637 37.038 1.00 0.00 C ATOM 1136 CG TRP B 19 95.777 -11.470 37.892 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.210 -11.146 39.079 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.786 -10.454 37.632 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.818 -10.002 39.569 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.799 -9.540 38.715 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.693 -10.243 36.578 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.673 -8.451 38.743 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.574 -9.150 36.603 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.565 -8.256 37.686 1.00 0.00 C ATOM 0 H TRP B 19 95.328 -13.998 39.136 1.00 0.00 H new ATOM 0 HA TRP B 19 96.139 -14.575 36.488 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.401 -12.345 35.988 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.361 -12.933 37.270 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.414 -11.691 39.564 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.571 -9.556 40.452 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.712 -10.927 35.743 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.659 -7.764 39.576 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.262 -8.996 35.785 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.247 -7.419 37.702 1.00 0.00 H new ATOM 1155 N ARG B 20 98.406 -13.005 38.231 1.00 0.00 N ATOM 1156 CA ARG B 20 99.829 -12.567 38.146 1.00 0.00 C ATOM 1157 C ARG B 20 100.711 -13.726 37.693 1.00 0.00 C ATOM 1158 O ARG B 20 101.632 -13.554 36.917 1.00 0.00 O ATOM 1159 CB ARG B 20 100.309 -12.094 39.519 1.00 0.00 C ATOM 1160 CG ARG B 20 99.524 -10.859 39.945 1.00 0.00 C ATOM 1161 CD ARG B 20 100.018 -10.389 41.317 1.00 0.00 C ATOM 1162 NE ARG B 20 99.138 -9.294 41.813 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.174 -8.937 43.070 1.00 0.00 C ATOM 1164 NH1 ARG B 20 99.971 -9.550 43.905 1.00 0.00 N ATOM 1165 NH2 ARG B 20 98.404 -7.973 43.490 1.00 0.00 N ATOM 0 H ARG B 20 97.993 -12.980 39.163 1.00 0.00 H new ATOM 0 HA ARG B 20 99.897 -11.752 37.426 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.179 -12.889 40.253 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.374 -11.864 39.482 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.649 -10.064 39.210 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.459 -11.089 39.989 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.014 -11.221 42.021 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.047 -10.038 41.244 1.00 0.00 H new ATOM 0 HE ARG B 20 98.504 -8.821 41.169 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.567 -10.309 43.576 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.997 -9.269 44.885 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.777 -7.501 42.839 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.428 -7.691 44.470 1.00 0.00 H new ATOM 1179 N ALA B 21 100.449 -14.904 38.178 1.00 0.00 N ATOM 1180 CA ALA B 21 101.284 -16.073 37.787 1.00 0.00 C ATOM 1181 C ALA B 21 101.028 -16.420 36.316 1.00 0.00 C ATOM 1182 O ALA B 21 101.945 -16.606 35.543 1.00 0.00 O ATOM 1183 CB ALA B 21 100.931 -17.255 38.698 1.00 0.00 C ATOM 0 H ALA B 21 99.692 -15.110 38.830 1.00 0.00 H new ATOM 0 HA ALA B 21 102.342 -15.839 37.901 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.535 -18.119 38.423 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.131 -16.987 39.735 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.875 -17.500 38.584 1.00 0.00 H new ATOM 1189 N MET B 22 99.786 -16.501 35.922 1.00 0.00 N ATOM 1190 CA MET B 22 99.486 -16.822 34.499 1.00 0.00 C ATOM 1191 C MET B 22 100.060 -15.728 33.601 1.00 0.00 C ATOM 1192 O MET B 22 100.596 -15.994 32.543 1.00 0.00 O ATOM 1193 CB MET B 22 97.975 -16.900 34.292 1.00 0.00 C ATOM 1194 CG MET B 22 97.409 -18.074 35.090 1.00 0.00 C ATOM 1195 SD MET B 22 95.682 -18.349 34.619 1.00 0.00 S ATOM 1196 CE MET B 22 94.986 -16.876 35.403 1.00 0.00 C ATOM 0 H MET B 22 98.972 -16.360 36.520 1.00 0.00 H new ATOM 0 HA MET B 22 99.935 -17.782 34.246 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.505 -15.970 34.612 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.749 -17.024 33.233 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.996 -18.973 34.901 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.477 -17.868 36.158 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.903 -16.976 35.468 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.401 -16.767 36.405 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.234 -15.996 34.809 1.00 0.00 H new ATOM 1206 N ALA B 23 99.951 -14.496 34.018 1.00 0.00 N ATOM 1207 CA ALA B 23 100.487 -13.374 33.196 1.00 0.00 C ATOM 1208 C ALA B 23 101.973 -13.609 32.938 1.00 0.00 C ATOM 1209 O ALA B 23 102.458 -13.456 31.832 1.00 0.00 O ATOM 1210 CB ALA B 23 100.305 -12.061 33.958 1.00 0.00 C ATOM 0 H ALA B 23 99.512 -14.217 34.896 1.00 0.00 H new ATOM 0 HA ALA B 23 99.954 -13.322 32.247 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.696 -11.237 33.361 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.245 -11.897 34.153 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.844 -12.111 34.904 1.00 0.00 H new ATOM 1216 N SER B 24 102.700 -13.987 33.949 1.00 0.00 N ATOM 1217 CA SER B 24 104.155 -14.239 33.768 1.00 0.00 C ATOM 1218 C SER B 24 104.360 -15.507 32.929 1.00 0.00 C ATOM 1219 O SER B 24 105.254 -15.583 32.110 1.00 0.00 O ATOM 1220 CB SER B 24 104.813 -14.420 35.138 1.00 0.00 C ATOM 1221 OG SER B 24 106.226 -14.408 34.989 1.00 0.00 O ATOM 0 H SER B 24 102.349 -14.133 34.896 1.00 0.00 H new ATOM 0 HA SER B 24 104.608 -13.391 33.254 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.501 -13.622 35.812 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.492 -15.360 35.587 1.00 0.00 H new ATOM 0 HG SER B 24 106.648 -14.522 35.866 1.00 0.00 H new ATOM 1227 N ASP B 25 103.546 -16.508 33.144 1.00 0.00 N ATOM 1228 CA ASP B 25 103.689 -17.789 32.382 1.00 0.00 C ATOM 1229 C ASP B 25 103.542 -17.552 30.876 1.00 0.00 C ATOM 1230 O ASP B 25 104.209 -18.177 30.074 1.00 0.00 O ATOM 1231 CB ASP B 25 102.615 -18.773 32.845 1.00 0.00 C ATOM 1232 CG ASP B 25 102.917 -19.223 34.276 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.025 -18.982 34.731 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.038 -19.799 34.892 1.00 0.00 O ATOM 0 H ASP B 25 102.782 -16.495 33.820 1.00 0.00 H new ATOM 0 HA ASP B 25 104.682 -18.196 32.572 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.633 -18.303 32.800 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.586 -19.636 32.180 1.00 0.00 H new ATOM 1239 N PHE B 26 102.661 -16.665 30.481 1.00 0.00 N ATOM 1240 CA PHE B 26 102.454 -16.389 29.021 1.00 0.00 C ATOM 1241 C PHE B 26 102.894 -14.960 28.697 1.00 0.00 C ATOM 1242 O PHE B 26 102.845 -14.530 27.561 1.00 0.00 O ATOM 1243 CB PHE B 26 100.971 -16.568 28.691 1.00 0.00 C ATOM 1244 CG PHE B 26 100.602 -18.015 28.901 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.153 -18.451 30.157 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.717 -18.924 27.844 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.819 -19.797 30.352 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.383 -20.270 28.038 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.935 -20.706 29.290 1.00 0.00 C ATOM 0 H PHE B 26 102.073 -16.117 31.109 1.00 0.00 H new ATOM 0 HA PHE B 26 103.048 -17.081 28.424 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.362 -15.926 29.327 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.775 -16.273 27.660 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.065 -17.749 30.973 1.00 0.00 H new ATOM 0 HD2 PHE B 26 101.063 -18.588 26.878 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.473 -20.134 31.318 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.471 -20.971 27.222 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.678 -21.744 29.439 1.00 0.00 H new ATOM 1259 N ASN B 27 103.320 -14.225 29.690 1.00 0.00 N ATOM 1260 CA ASN B 27 103.768 -12.824 29.453 1.00 0.00 C ATOM 1261 C ASN B 27 102.647 -12.043 28.765 1.00 0.00 C ATOM 1262 O ASN B 27 102.863 -11.356 27.785 1.00 0.00 O ATOM 1263 CB ASN B 27 105.035 -12.814 28.583 1.00 0.00 C ATOM 1264 CG ASN B 27 106.190 -13.464 29.355 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.121 -13.611 30.559 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.262 -13.852 28.716 1.00 0.00 N ATOM 0 H ASN B 27 103.377 -14.538 30.659 1.00 0.00 H new ATOM 0 HA ASN B 27 104.001 -12.352 30.408 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.855 -13.354 27.654 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.295 -11.791 28.312 1.00 0.00 H new ATOM 0 HD21 ASN B 27 108.036 -14.276 29.228 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.325 -13.731 27.705 1.00 0.00 H new ATOM 1273 N LEU B 28 101.449 -12.146 29.284 1.00 0.00 N ATOM 1274 CA LEU B 28 100.279 -11.419 28.694 1.00 0.00 C ATOM 1275 C LEU B 28 99.832 -10.342 29.690 1.00 0.00 C ATOM 1276 O LEU B 28 100.023 -10.492 30.882 1.00 0.00 O ATOM 1277 CB LEU B 28 99.133 -12.420 28.481 1.00 0.00 C ATOM 1278 CG LEU B 28 99.521 -13.446 27.402 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.511 -14.602 27.417 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.523 -12.781 26.012 1.00 0.00 C ATOM 0 H LEU B 28 101.227 -12.711 30.104 1.00 0.00 H new ATOM 0 HA LEU B 28 100.549 -10.962 27.742 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.908 -12.932 29.417 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.228 -11.891 28.182 1.00 0.00 H new ATOM 0 HG LEU B 28 100.521 -13.826 27.612 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.782 -15.332 26.654 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.520 -15.081 28.396 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.513 -14.216 27.211 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.799 -13.517 25.257 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.528 -12.392 25.793 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.243 -11.963 26.001 1.00 0.00 H new ATOM 1292 N PRO B 29 99.238 -9.264 29.230 1.00 0.00 N ATOM 1293 CA PRO B 29 98.770 -8.178 30.143 1.00 0.00 C ATOM 1294 C PRO B 29 97.733 -8.693 31.160 1.00 0.00 C ATOM 1295 O PRO B 29 97.008 -9.627 30.881 1.00 0.00 O ATOM 1296 CB PRO B 29 98.136 -7.136 29.195 1.00 0.00 C ATOM 1297 CG PRO B 29 97.872 -7.871 27.917 1.00 0.00 C ATOM 1298 CD PRO B 29 98.951 -8.946 27.820 1.00 0.00 C ATOM 0 HA PRO B 29 99.585 -7.769 30.741 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.214 -6.733 29.614 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.807 -6.293 29.032 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.877 -8.316 27.921 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.916 -7.196 27.062 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.599 -9.821 27.273 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.837 -8.581 27.301 1.00 0.00 H new ATOM 1306 N PRO B 30 97.656 -8.088 32.319 1.00 0.00 N ATOM 1307 CA PRO B 30 96.680 -8.501 33.361 1.00 0.00 C ATOM 1308 C PRO B 30 95.285 -8.735 32.778 1.00 0.00 C ATOM 1309 O PRO B 30 94.537 -9.562 33.248 1.00 0.00 O ATOM 1310 CB PRO B 30 96.637 -7.313 34.346 1.00 0.00 C ATOM 1311 CG PRO B 30 97.865 -6.480 34.081 1.00 0.00 C ATOM 1312 CD PRO B 30 98.490 -6.956 32.756 1.00 0.00 C ATOM 0 HA PRO B 30 96.977 -9.440 33.827 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.732 -6.723 34.201 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.625 -7.666 35.377 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.603 -5.424 34.020 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.579 -6.584 34.898 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.492 -6.159 32.013 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.526 -7.262 32.897 1.00 0.00 H new ATOM 1320 N VAL B 31 94.925 -7.987 31.779 1.00 0.00 N ATOM 1321 CA VAL B 31 93.559 -8.138 31.204 1.00 0.00 C ATOM 1322 C VAL B 31 93.319 -9.580 30.767 1.00 0.00 C ATOM 1323 O VAL B 31 92.301 -10.161 31.085 1.00 0.00 O ATOM 1324 CB VAL B 31 93.400 -7.197 30.000 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.017 -7.364 29.336 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.539 -5.750 30.478 1.00 0.00 C ATOM 0 H VAL B 31 95.511 -7.280 31.335 1.00 0.00 H new ATOM 0 HA VAL B 31 92.826 -7.880 31.968 1.00 0.00 H new ATOM 0 HB VAL B 31 94.170 -7.444 29.269 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.936 -6.684 28.488 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.901 -8.391 28.990 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.236 -7.135 30.060 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.428 -5.074 29.630 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.767 -5.535 31.217 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.522 -5.608 30.928 1.00 0.00 H new ATOM 1336 N VAL B 32 94.213 -10.162 30.028 1.00 0.00 N ATOM 1337 CA VAL B 32 93.963 -11.558 29.582 1.00 0.00 C ATOM 1338 C VAL B 32 94.007 -12.490 30.786 1.00 0.00 C ATOM 1339 O VAL B 32 93.137 -13.317 30.980 1.00 0.00 O ATOM 1340 CB VAL B 32 95.009 -11.988 28.550 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.706 -13.411 28.070 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.960 -11.036 27.356 1.00 0.00 C ATOM 0 H VAL B 32 95.090 -9.744 29.717 1.00 0.00 H new ATOM 0 HA VAL B 32 92.979 -11.610 29.116 1.00 0.00 H new ATOM 0 HB VAL B 32 95.999 -11.961 29.006 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.452 -13.714 27.336 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.733 -14.095 28.918 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.716 -13.438 27.614 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.703 -11.339 26.619 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.968 -11.068 26.905 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.174 -10.021 27.691 1.00 0.00 H new ATOM 1352 N ALA B 33 95.014 -12.366 31.599 1.00 0.00 N ATOM 1353 CA ALA B 33 95.106 -13.249 32.791 1.00 0.00 C ATOM 1354 C ALA B 33 93.968 -12.933 33.768 1.00 0.00 C ATOM 1355 O ALA B 33 93.369 -13.823 34.344 1.00 0.00 O ATOM 1356 CB ALA B 33 96.456 -13.031 33.471 1.00 0.00 C ATOM 0 H ALA B 33 95.775 -11.695 31.491 1.00 0.00 H new ATOM 0 HA ALA B 33 95.018 -14.290 32.481 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.531 -13.676 34.347 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.258 -13.272 32.773 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.544 -11.989 33.779 1.00 0.00 H new ATOM 1362 N LYS B 34 93.659 -11.676 33.964 1.00 0.00 N ATOM 1363 CA LYS B 34 92.558 -11.325 34.902 1.00 0.00 C ATOM 1364 C LYS B 34 91.241 -11.913 34.397 1.00 0.00 C ATOM 1365 O LYS B 34 90.421 -12.382 35.163 1.00 0.00 O ATOM 1366 CB LYS B 34 92.428 -9.800 35.008 1.00 0.00 C ATOM 1367 CG LYS B 34 93.678 -9.197 35.694 1.00 0.00 C ATOM 1368 CD LYS B 34 93.437 -9.036 37.204 1.00 0.00 C ATOM 1369 CE LYS B 34 92.696 -7.724 37.484 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.176 -7.745 38.876 1.00 0.00 N ATOM 0 H LYS B 34 94.120 -10.884 33.516 1.00 0.00 H new ATOM 0 HA LYS B 34 92.786 -11.737 35.885 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.308 -9.369 34.014 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.534 -9.544 35.577 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.540 -9.842 35.524 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.912 -8.229 35.252 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.855 -9.878 37.579 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.389 -9.045 37.735 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.368 -6.876 37.347 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.875 -7.598 36.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.672 -6.857 39.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.523 -8.546 38.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.969 -7.847 39.541 1.00 0.00 H new ATOM 1384 N GLU B 35 91.017 -11.869 33.113 1.00 0.00 N ATOM 1385 CA GLU B 35 89.743 -12.403 32.560 1.00 0.00 C ATOM 1386 C GLU B 35 89.594 -13.894 32.878 1.00 0.00 C ATOM 1387 O GLU B 35 88.515 -14.358 33.179 1.00 0.00 O ATOM 1388 CB GLU B 35 89.731 -12.188 31.049 1.00 0.00 C ATOM 1389 CG GLU B 35 88.328 -12.447 30.486 1.00 0.00 C ATOM 1390 CD GLU B 35 88.092 -13.955 30.315 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.053 -14.702 30.382 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.948 -14.333 30.119 1.00 0.00 O ATOM 0 H GLU B 35 91.663 -11.486 32.423 1.00 0.00 H new ATOM 0 HA GLU B 35 88.906 -11.875 33.018 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.041 -11.169 30.817 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.450 -12.856 30.574 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.577 -12.028 31.156 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.215 -11.943 29.526 1.00 0.00 H new ATOM 1399 N ILE B 36 90.659 -14.652 32.815 1.00 0.00 N ATOM 1400 CA ILE B 36 90.531 -16.110 33.114 1.00 0.00 C ATOM 1401 C ILE B 36 90.019 -16.259 34.543 1.00 0.00 C ATOM 1402 O ILE B 36 89.184 -17.096 34.828 1.00 0.00 O ATOM 1403 CB ILE B 36 91.895 -16.807 32.965 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.399 -16.618 31.530 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.759 -18.315 33.255 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.719 -17.370 31.341 1.00 0.00 C ATOM 0 H ILE B 36 91.597 -14.332 32.574 1.00 0.00 H new ATOM 0 HA ILE B 36 89.836 -16.575 32.415 1.00 0.00 H new ATOM 0 HB ILE B 36 92.598 -16.369 33.674 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.656 -16.986 30.822 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.541 -15.558 31.321 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.731 -18.796 33.146 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.395 -18.458 34.272 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.054 -18.759 32.552 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.073 -17.232 30.319 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.462 -16.982 32.038 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.563 -18.432 31.531 1.00 0.00 H new ATOM 1418 N VAL B 37 90.494 -15.448 35.444 1.00 0.00 N ATOM 1419 CA VAL B 37 90.008 -15.547 36.846 1.00 0.00 C ATOM 1420 C VAL B 37 88.501 -15.301 36.858 1.00 0.00 C ATOM 1421 O VAL B 37 87.758 -15.947 37.567 1.00 0.00 O ATOM 1422 CB VAL B 37 90.714 -14.503 37.708 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.079 -14.465 39.102 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.191 -14.872 37.831 1.00 0.00 C ATOM 0 H VAL B 37 91.193 -14.725 35.272 1.00 0.00 H new ATOM 0 HA VAL B 37 90.223 -16.537 37.248 1.00 0.00 H new ATOM 0 HB VAL B 37 90.616 -13.522 37.244 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.587 -13.718 39.713 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.024 -14.206 39.014 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.174 -15.444 39.572 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.701 -14.130 38.446 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.283 -15.854 38.296 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.644 -14.896 36.840 1.00 0.00 H new ATOM 1434 N ALA B 38 88.051 -14.363 36.069 1.00 0.00 N ATOM 1435 CA ALA B 38 86.593 -14.063 36.007 1.00 0.00 C ATOM 1436 C ALA B 38 85.842 -15.293 35.512 1.00 0.00 C ATOM 1437 O ALA B 38 84.692 -15.514 35.851 1.00 0.00 O ATOM 1438 CB ALA B 38 86.348 -12.899 35.043 1.00 0.00 C ATOM 0 H ALA B 38 88.635 -13.789 35.461 1.00 0.00 H new ATOM 0 HA ALA B 38 86.238 -13.792 37.001 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.281 -12.681 34.999 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.884 -12.017 35.394 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.704 -13.169 34.049 1.00 0.00 H new ATOM 1444 N SER B 39 86.470 -16.094 34.702 1.00 0.00 N ATOM 1445 CA SER B 39 85.782 -17.305 34.177 1.00 0.00 C ATOM 1446 C SER B 39 85.717 -18.356 35.280 1.00 0.00 C ATOM 1447 O SER B 39 84.776 -19.119 35.374 1.00 0.00 O ATOM 1448 CB SER B 39 86.565 -17.863 32.988 1.00 0.00 C ATOM 1449 OG SER B 39 86.710 -16.851 32.002 1.00 0.00 O ATOM 0 H SER B 39 87.429 -15.964 34.380 1.00 0.00 H new ATOM 0 HA SER B 39 84.774 -17.045 33.854 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.545 -18.211 33.315 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.045 -18.724 32.568 1.00 0.00 H new ATOM 0 HG SER B 39 87.213 -17.207 31.240 1.00 0.00 H new ATOM 1455 N CYS B 40 86.707 -18.393 36.123 1.00 0.00 N ATOM 1456 CA CYS B 40 86.711 -19.387 37.229 1.00 0.00 C ATOM 1457 C CYS B 40 85.833 -18.880 38.378 1.00 0.00 C ATOM 1458 O CYS B 40 86.230 -18.035 39.151 1.00 0.00 O ATOM 1459 CB CYS B 40 88.146 -19.578 37.717 1.00 0.00 C ATOM 1460 SG CYS B 40 88.168 -20.690 39.147 1.00 0.00 S ATOM 0 H CYS B 40 87.518 -17.775 36.094 1.00 0.00 H new ATOM 0 HA CYS B 40 86.315 -20.339 36.875 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.760 -19.989 36.916 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.579 -18.615 37.988 1.00 0.00 H new ATOM 1465 N ASP B 41 84.638 -19.399 38.486 1.00 0.00 N ATOM 1466 CA ASP B 41 83.716 -18.961 39.573 1.00 0.00 C ATOM 1467 C ASP B 41 84.340 -19.271 40.930 1.00 0.00 C ATOM 1468 O ASP B 41 84.076 -18.602 41.915 1.00 0.00 O ATOM 1469 CB ASP B 41 82.388 -19.711 39.450 1.00 0.00 C ATOM 1470 CG ASP B 41 81.632 -19.212 38.219 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.104 -18.273 37.598 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.596 -19.778 37.915 1.00 0.00 O ATOM 0 H ASP B 41 84.260 -20.112 37.863 1.00 0.00 H new ATOM 0 HA ASP B 41 83.543 -17.888 39.486 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.570 -20.783 39.368 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.787 -19.557 40.346 1.00 0.00 H new ATOM 1477 N LYS B 42 85.151 -20.290 41.005 1.00 0.00 N ATOM 1478 CA LYS B 42 85.761 -20.648 42.316 1.00 0.00 C ATOM 1479 C LYS B 42 86.781 -19.584 42.733 1.00 0.00 C ATOM 1480 O LYS B 42 86.850 -19.211 43.886 1.00 0.00 O ATOM 1481 CB LYS B 42 86.458 -22.012 42.202 1.00 0.00 C ATOM 1482 CG LYS B 42 85.399 -23.107 42.010 1.00 0.00 C ATOM 1483 CD LYS B 42 86.065 -24.492 41.946 1.00 0.00 C ATOM 1484 CE LYS B 42 86.562 -24.911 43.335 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.768 -26.383 43.355 1.00 0.00 N ATOM 0 H LYS B 42 85.416 -20.886 40.221 1.00 0.00 H new ATOM 0 HA LYS B 42 84.976 -20.700 43.070 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.152 -22.010 41.362 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.044 -22.210 43.099 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.684 -23.078 42.832 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.839 -22.923 41.093 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.354 -25.228 41.570 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.900 -24.469 41.246 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.494 -24.398 43.571 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.837 -24.622 44.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 87.105 -26.674 44.295 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.869 -26.862 43.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.474 -26.644 42.638 1.00 0.00 H new ATOM 1499 N CYS B 43 87.563 -19.070 41.817 1.00 0.00 N ATOM 1500 CA CYS B 43 88.555 -18.020 42.210 1.00 0.00 C ATOM 1501 C CYS B 43 87.872 -16.654 42.209 1.00 0.00 C ATOM 1502 O CYS B 43 88.254 -15.763 42.940 1.00 0.00 O ATOM 1503 CB CYS B 43 89.736 -18.001 41.235 1.00 0.00 C ATOM 1504 SG CYS B 43 90.774 -19.457 41.517 1.00 0.00 S ATOM 0 H CYS B 43 87.560 -19.326 40.830 1.00 0.00 H new ATOM 0 HA CYS B 43 88.931 -18.248 43.208 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.373 -17.993 40.207 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.321 -17.092 41.373 1.00 0.00 H new ATOM 1509 N GLN B 44 86.863 -16.477 41.404 1.00 0.00 N ATOM 1510 CA GLN B 44 86.170 -15.163 41.384 1.00 0.00 C ATOM 1511 C GLN B 44 85.268 -15.064 42.613 1.00 0.00 C ATOM 1512 O GLN B 44 85.552 -14.344 43.543 1.00 0.00 O ATOM 1513 CB GLN B 44 85.330 -15.054 40.112 1.00 0.00 C ATOM 1514 CG GLN B 44 84.817 -13.624 39.970 1.00 0.00 C ATOM 1515 CD GLN B 44 83.882 -13.534 38.767 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.227 -12.530 38.566 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.784 -14.553 37.955 1.00 0.00 N ATOM 0 H GLN B 44 86.492 -17.180 40.765 1.00 0.00 H new ATOM 0 HA GLN B 44 86.899 -14.353 41.400 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.928 -15.326 39.242 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.493 -15.751 40.154 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.291 -13.324 40.876 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.654 -12.937 39.845 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.334 -15.395 38.125 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.157 -14.506 37.152 1.00 0.00 H new ATOM 1526 N LEU B 45 84.198 -15.807 42.635 1.00 0.00 N ATOM 1527 CA LEU B 45 83.299 -15.778 43.819 1.00 0.00 C ATOM 1528 C LEU B 45 83.872 -16.739 44.858 1.00 0.00 C ATOM 1529 O LEU B 45 83.764 -17.941 44.725 1.00 0.00 O ATOM 1530 CB LEU B 45 81.907 -16.249 43.405 1.00 0.00 C ATOM 1531 CG LEU B 45 81.464 -15.497 42.146 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.051 -15.941 41.766 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.475 -13.982 42.411 1.00 0.00 C ATOM 0 H LEU B 45 83.908 -16.433 41.884 1.00 0.00 H new ATOM 0 HA LEU B 45 83.227 -14.770 44.227 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.917 -17.322 43.215 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.197 -16.075 44.214 1.00 0.00 H new ATOM 0 HG LEU B 45 82.151 -15.720 41.330 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.731 -15.409 40.870 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.047 -17.014 41.572 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.367 -15.718 42.585 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.159 -13.453 41.512 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.791 -13.750 43.227 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.483 -13.667 42.682 1.00 0.00 H new ATOM 1545 N LYS B 46 84.504 -16.228 45.875 1.00 0.00 N ATOM 1546 CA LYS B 46 85.110 -17.129 46.900 1.00 0.00 C ATOM 1547 C LYS B 46 84.097 -17.431 48.004 1.00 0.00 C ATOM 1548 O LYS B 46 84.376 -18.181 48.919 1.00 0.00 O ATOM 1549 CB LYS B 46 86.340 -16.454 47.503 1.00 0.00 C ATOM 1550 CG LYS B 46 87.338 -16.131 46.395 1.00 0.00 C ATOM 1551 CD LYS B 46 88.654 -15.665 47.016 1.00 0.00 C ATOM 1552 CE LYS B 46 89.600 -15.228 45.899 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.965 -14.991 46.448 1.00 0.00 N ATOM 0 H LYS B 46 84.629 -15.230 46.043 1.00 0.00 H new ATOM 0 HA LYS B 46 85.401 -18.066 46.424 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.049 -15.541 48.022 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.801 -17.108 48.243 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.507 -17.012 45.775 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.936 -15.355 45.743 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.475 -14.838 47.703 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.103 -16.471 47.597 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.639 -15.994 45.124 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.225 -14.318 45.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.601 -14.694 45.681 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.924 -14.245 47.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.324 -15.868 46.876 1.00 0.00 H new ATOM 1567 N GLY B 47 82.923 -16.860 47.922 1.00 0.00 N ATOM 1568 CA GLY B 47 81.873 -17.111 48.960 1.00 0.00 C ATOM 1569 C GLY B 47 81.557 -15.813 49.710 1.00 0.00 C ATOM 1570 O GLY B 47 81.826 -15.687 50.888 1.00 0.00 O ATOM 0 H GLY B 47 82.643 -16.225 47.175 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.969 -17.498 48.489 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.217 -17.871 49.661 1.00 0.00 H new ATOM 1574 N GLU B 48 80.971 -14.845 49.044 1.00 0.00 N ATOM 1575 CA GLU B 48 80.627 -13.566 49.741 1.00 0.00 C ATOM 1576 C GLU B 48 79.299 -13.746 50.481 1.00 0.00 C ATOM 1577 O GLU B 48 78.298 -14.108 49.900 1.00 0.00 O ATOM 1578 CB GLU B 48 80.502 -12.429 48.717 1.00 0.00 C ATOM 1579 CG GLU B 48 80.293 -11.097 49.445 1.00 0.00 C ATOM 1580 CD GLU B 48 80.081 -9.984 48.416 1.00 0.00 C ATOM 1581 OE1 GLU B 48 80.213 -10.264 47.237 1.00 0.00 O ATOM 1582 OE2 GLU B 48 79.787 -8.873 48.827 1.00 0.00 O ATOM 0 H GLU B 48 80.718 -14.885 48.057 1.00 0.00 H new ATOM 0 HA GLU B 48 81.414 -13.313 50.452 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.400 -12.381 48.102 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.666 -12.622 48.045 1.00 0.00 H new ATOM 0 HG2 GLU B 48 79.430 -11.164 50.108 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.158 -10.871 50.069 1.00 0.00 H new ATOM 1589 N ALA B 49 79.290 -13.506 51.771 1.00 0.00 N ATOM 1590 CA ALA B 49 78.030 -13.673 52.571 1.00 0.00 C ATOM 1591 C ALA B 49 77.364 -12.323 52.814 1.00 0.00 C ATOM 1592 O ALA B 49 77.981 -11.279 52.708 1.00 0.00 O ATOM 1593 CB ALA B 49 78.367 -14.312 53.919 1.00 0.00 C ATOM 0 H ALA B 49 80.102 -13.201 52.307 1.00 0.00 H new ATOM 0 HA ALA B 49 77.345 -14.310 52.012 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.454 -14.434 54.502 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.826 -15.287 53.755 1.00 0.00 H new ATOM 0 HB3 ALA B 49 79.061 -13.671 54.462 1.00 0.00 H new ATOM 1599 N MET B 50 76.098 -12.348 53.139 1.00 0.00 N ATOM 1600 CA MET B 50 75.349 -11.085 53.398 1.00 0.00 C ATOM 1601 C MET B 50 74.370 -11.314 54.557 1.00 0.00 C ATOM 1602 O MET B 50 74.739 -11.796 55.610 1.00 0.00 O ATOM 1603 CB MET B 50 74.570 -10.696 52.135 1.00 0.00 C ATOM 1604 CG MET B 50 74.095 -9.234 52.220 1.00 0.00 C ATOM 1605 SD MET B 50 75.423 -8.127 51.673 1.00 0.00 S ATOM 1606 CE MET B 50 74.835 -6.627 52.501 1.00 0.00 C ATOM 0 H MET B 50 75.546 -13.200 53.237 1.00 0.00 H new ATOM 0 HA MET B 50 76.042 -10.285 53.658 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.202 -10.828 51.257 1.00 0.00 H new ATOM 0 HB3 MET B 50 73.712 -11.356 52.013 1.00 0.00 H new ATOM 0 HG2 MET B 50 73.211 -9.092 51.598 1.00 0.00 H new ATOM 0 HG3 MET B 50 73.807 -8.994 53.243 1.00 0.00 H new ATOM 0 HE1 MET B 50 75.519 -5.805 52.293 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.841 -6.374 52.132 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.790 -6.799 53.576 1.00 0.00 H new ATOM 1616 N HIS B 51 73.121 -10.973 54.365 1.00 0.00 N ATOM 1617 CA HIS B 51 72.104 -11.164 55.443 1.00 0.00 C ATOM 1618 C HIS B 51 72.644 -10.606 56.762 1.00 0.00 C ATOM 1619 O HIS B 51 72.647 -9.409 56.981 1.00 0.00 O ATOM 1620 CB HIS B 51 71.780 -12.656 55.599 1.00 0.00 C ATOM 1621 CG HIS B 51 70.915 -13.106 54.446 1.00 0.00 C ATOM 1622 ND1 HIS B 51 69.836 -12.359 53.997 1.00 0.00 N ATOM 1623 CD2 HIS B 51 70.947 -14.226 53.649 1.00 0.00 C ATOM 1624 CE1 HIS B 51 69.266 -13.031 52.976 1.00 0.00 C ATOM 1625 NE2 HIS B 51 69.903 -14.173 52.727 1.00 0.00 N ATOM 0 H HIS B 51 72.760 -10.568 53.502 1.00 0.00 H new ATOM 0 HA HIS B 51 71.192 -10.632 55.174 1.00 0.00 H new ATOM 0 HB2 HIS B 51 72.701 -13.238 55.626 1.00 0.00 H new ATOM 0 HB3 HIS B 51 71.265 -12.831 56.544 1.00 0.00 H new ATOM 0 HD2 HIS B 51 71.670 -15.024 53.726 1.00 0.00 H new ATOM 0 HE1 HIS B 51 68.401 -12.686 52.429 1.00 0.00 H new ATOM 0 HE2 HIS B 51 69.675 -14.864 52.012 1.00 0.00 H new ATOM 1633 N GLY B 52 73.102 -11.451 57.644 1.00 0.00 N ATOM 1634 CA GLY B 52 73.641 -10.946 58.945 1.00 0.00 C ATOM 1635 C GLY B 52 72.484 -10.714 59.924 1.00 0.00 C ATOM 1636 O GLY B 52 72.214 -11.528 60.785 1.00 0.00 O ATOM 0 H GLY B 52 73.128 -12.464 57.525 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.346 -11.665 59.362 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.189 -10.017 58.787 1.00 0.00 H new ATOM 1640 N GLN B 53 71.802 -9.607 59.797 1.00 0.00 N ATOM 1641 CA GLN B 53 70.661 -9.320 60.714 1.00 0.00 C ATOM 1642 C GLN B 53 69.406 -10.015 60.202 1.00 0.00 C ATOM 1643 O GLN B 53 68.316 -9.786 60.689 1.00 0.00 O ATOM 1644 CB GLN B 53 70.407 -7.810 60.771 1.00 0.00 C ATOM 1645 CG GLN B 53 71.641 -7.090 61.318 1.00 0.00 C ATOM 1646 CD GLN B 53 71.351 -5.589 61.412 1.00 0.00 C ATOM 1647 OE1 GLN B 53 70.252 -5.196 61.753 1.00 0.00 O ATOM 1648 NE2 GLN B 53 72.291 -4.730 61.134 1.00 0.00 N ATOM 0 H GLN B 53 71.986 -8.888 59.097 1.00 0.00 H new ATOM 0 HA GLN B 53 70.906 -9.687 61.711 1.00 0.00 H new ATOM 0 HB2 GLN B 53 70.169 -7.435 59.775 1.00 0.00 H new ATOM 0 HB3 GLN B 53 69.544 -7.602 61.404 1.00 0.00 H new ATOM 0 HG2 GLN B 53 71.900 -7.484 62.301 1.00 0.00 H new ATOM 0 HG3 GLN B 53 72.497 -7.267 60.667 1.00 0.00 H new ATOM 0 HE21 GLN B 53 73.213 -5.058 60.848 1.00 0.00 H new ATOM 0 HE22 GLN B 53 72.104 -3.730 61.203 1.00 0.00 H new ATOM 1657 N VAL B 54 69.559 -10.866 59.228 1.00 0.00 N ATOM 1658 CA VAL B 54 68.378 -11.585 58.663 1.00 0.00 C ATOM 1659 C VAL B 54 67.320 -10.560 58.225 1.00 0.00 C ATOM 1660 O VAL B 54 67.311 -9.433 58.674 1.00 0.00 O ATOM 1661 CB VAL B 54 67.785 -12.515 59.736 1.00 0.00 C ATOM 1662 CG1 VAL B 54 66.922 -13.593 59.065 1.00 0.00 C ATOM 1663 CG2 VAL B 54 68.920 -13.184 60.521 1.00 0.00 C ATOM 0 H VAL B 54 70.453 -11.097 58.795 1.00 0.00 H new ATOM 0 HA VAL B 54 68.686 -12.178 57.802 1.00 0.00 H new ATOM 0 HB VAL B 54 67.168 -11.930 60.418 1.00 0.00 H new ATOM 0 HG11 VAL B 54 66.503 -14.250 59.827 1.00 0.00 H new ATOM 0 HG12 VAL B 54 66.112 -13.118 58.511 1.00 0.00 H new ATOM 0 HG13 VAL B 54 67.537 -14.177 58.380 1.00 0.00 H new ATOM 0 HG21 VAL B 54 68.498 -13.842 61.281 1.00 0.00 H new ATOM 0 HG22 VAL B 54 69.540 -13.767 59.839 1.00 0.00 H new ATOM 0 HG23 VAL B 54 69.530 -12.419 61.002 1.00 0.00 H new ATOM 1673 N ASP B 55 66.419 -10.931 57.350 1.00 0.00 N ATOM 1674 CA ASP B 55 65.367 -9.960 56.913 1.00 0.00 C ATOM 1675 C ASP B 55 64.156 -10.092 57.839 1.00 0.00 C ATOM 1676 O ASP B 55 63.762 -11.215 58.101 1.00 0.00 O ATOM 1677 CB ASP B 55 64.950 -10.260 55.469 1.00 0.00 C ATOM 1678 CG ASP B 55 63.964 -9.192 54.977 1.00 0.00 C ATOM 1679 OD1 ASP B 55 63.445 -8.463 55.806 1.00 0.00 O ATOM 1680 OD2 ASP B 55 63.742 -9.131 53.778 1.00 0.00 O ATOM 1681 OXT ASP B 55 63.651 -9.071 58.272 1.00 0.00 O ATOM 0 H ASP B 55 66.365 -11.855 56.922 1.00 0.00 H new ATOM 0 HA ASP B 55 65.760 -8.945 56.962 1.00 0.00 H new ATOM 0 HB2 ASP B 55 65.829 -10.281 54.824 1.00 0.00 H new ATOM 0 HB3 ASP B 55 64.490 -11.246 55.412 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.180 -1.962 35.924 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.359 -20.912 39.798 1.00 0.00 ZN