USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 GLC O2 : rot -164:sc= 0.405 USER MOD Set 1.2: A 192 BGC O3 : rot 174:sc= 0.0175 USER MOD Set 2.1: A 73 TYR OH : rot -130:sc= 0 USER MOD Set 2.2: A 168 CYS SG : rot 180:sc= -0.0825 USER MOD Set 3.1: A 166 LYS NZ :NH3+ 138:sc= 0.652 (180deg=-0.125) USER MOD Set 3.2: A 191 GLC O3 : rot -66:sc= 0.255 USER MOD Set 4.1: A 110 THR OG1 : rot -140:sc= 0 USER MOD Set 4.2: A 113 LYS NZ :NH3+ 178:sc= -0.239 (180deg=-0.247) USER MOD Set 5.1: A 109 HIS : no HE2:sc= 0 X(o=0.17,f=-0.13) USER MOD Set 5.2: A 147 SER OG : rot 36:sc= 0.171 USER MOD Set 6.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 9 LYS NZ :NH3+ 174:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -6.23! K(o=-6.2!,f=-0.96) USER MOD Single : A 20 SER OG : rot 180:sc= -0.37 USER MOD Single : A 21 HIS : no HD1:sc= 0.143 K(o=0.14,f=-2.3!) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.881 K(o=-0.88,f=-1.9!) USER MOD Single : A 29 TYR OH : rot -8:sc= 1.25 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.0441 (180deg=-0.177) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0723) USER MOD Single : A 53 SER OG : rot 164:sc= 0.718! USER MOD Single : A 54 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.3) USER MOD Single : A 58 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.56) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 63 THR OG1 : rot -83:sc= 0.485 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.86! C(o=-2.9!,f=-7.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.479) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.744 K(o=-0.74,f=0) USER MOD Single : A 97 SER OG : rot -144:sc= 0.362 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.7!) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 0.00566 (180deg=-0.268) USER MOD Single : A 107 ASN : amide:sc= -4.44! C(o=-4.4!,f=-7.7!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -5:sc= 0.528 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 134 SER OG : rot 180:sc= -0.307 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -172:sc= -0.204 (180deg=-0.298) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 21:sc= 0.0336 USER MOD Single : A 159 LYS NZ :NH3+ 168:sc= -0.0079 (180deg=-0.16) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -5.08! C(o=-5.1!,f=-3!) USER MOD Single : A 173 MET CE :methyl 156:sc= -0.247 (180deg=-0.918) USER MOD Single : A 174 LYS NZ :NH3+ -171:sc= -0.151 (180deg=-0.183) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= -0.64 K(o=-0.64,f=0) USER MOD Single : A 186 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-5.1!) USER MOD Single : A 191 GLC O4 : rot 127:sc= 0.00455 USER MOD Single : A 191 GLC O6 : rot 147:sc= 0.644 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD Single : A 192 BGC O6 : rot -19:sc= 0.318 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.515 -12.404 0.737 1.00 8.93 N ATOM 2 CA GLY A 1 20.506 -13.416 0.323 1.00 8.42 C ATOM 3 C GLY A 1 21.092 -14.491 -0.571 1.00 7.62 C ATOM 4 O GLY A 1 21.840 -14.188 -1.504 1.00 7.93 O ATOM 0 H1 GLY A 1 21.063 -11.692 1.346 1.00 8.93 H new ATOM 0 H2 GLY A 1 22.281 -12.872 1.261 1.00 8.93 H new ATOM 0 H3 GLY A 1 21.907 -11.939 -0.107 1.00 8.93 H new ATOM 0 HA2 GLY A 1 20.077 -13.881 1.211 1.00 8.42 H new ATOM 0 HA3 GLY A 1 19.691 -12.917 -0.201 1.00 8.42 H new ATOM 10 N ALA A 2 20.744 -15.768 -0.277 1.00 6.82 N ATOM 11 CA ALA A 2 21.230 -16.940 -1.054 1.00 6.18 C ATOM 12 C ALA A 2 20.099 -17.633 -1.885 1.00 5.26 C ATOM 13 O ALA A 2 20.324 -17.987 -3.049 1.00 5.28 O ATOM 14 CB ALA A 2 21.941 -17.959 -0.118 1.00 6.51 C ATOM 0 H ALA A 2 20.126 -16.015 0.496 1.00 6.82 H new ATOM 0 HA ALA A 2 21.952 -16.562 -1.777 1.00 6.18 H new ATOM 0 HB1 ALA A 2 22.290 -18.809 -0.704 1.00 6.51 H new ATOM 0 HB2 ALA A 2 22.792 -17.478 0.365 1.00 6.51 H new ATOM 0 HB3 ALA A 2 21.241 -18.305 0.642 1.00 6.51 H new ATOM 20 N MET A 3 18.883 -17.805 -1.295 1.00 4.80 N ATOM 21 CA MET A 3 17.748 -18.445 -1.989 1.00 4.18 C ATOM 22 C MET A 3 16.441 -17.647 -1.794 1.00 3.48 C ATOM 23 O MET A 3 15.979 -16.982 -2.725 1.00 3.94 O ATOM 24 CB MET A 3 17.557 -19.902 -1.501 1.00 4.96 C ATOM 25 CG MET A 3 18.654 -20.883 -1.954 1.00 5.72 C ATOM 26 SD MET A 3 18.632 -21.178 -3.735 1.00 6.64 S ATOM 27 CE MET A 3 19.967 -22.360 -3.912 1.00 7.64 C ATOM 0 H MET A 3 18.672 -17.507 -0.342 1.00 4.80 H new ATOM 0 HA MET A 3 17.983 -18.456 -3.053 1.00 4.18 H new ATOM 0 HB2 MET A 3 17.515 -19.903 -0.412 1.00 4.96 H new ATOM 0 HB3 MET A 3 16.593 -20.266 -1.857 1.00 4.96 H new ATOM 0 HG2 MET A 3 19.629 -20.489 -1.667 1.00 5.72 H new ATOM 0 HG3 MET A 3 18.527 -21.831 -1.431 1.00 5.72 H new ATOM 0 HE1 MET A 3 20.072 -22.636 -4.961 1.00 7.64 H new ATOM 0 HE2 MET A 3 20.897 -21.914 -3.559 1.00 7.64 H new ATOM 0 HE3 MET A 3 19.745 -23.250 -3.324 1.00 7.64 H new ATOM 37 N SER A 4 15.853 -17.719 -0.579 1.00 2.65 N ATOM 38 CA SER A 4 14.601 -17.010 -0.258 1.00 2.27 C ATOM 39 C SER A 4 14.628 -16.424 1.161 1.00 1.31 C ATOM 40 O SER A 4 14.712 -17.160 2.153 1.00 0.88 O ATOM 41 CB SER A 4 13.392 -17.949 -0.405 1.00 2.95 C ATOM 42 OG SER A 4 12.949 -18.018 -1.752 1.00 3.86 O ATOM 0 H SER A 4 16.230 -18.264 0.196 1.00 2.65 H new ATOM 0 HA SER A 4 14.507 -16.187 -0.966 1.00 2.27 H new ATOM 0 HB2 SER A 4 13.660 -18.947 -0.057 1.00 2.95 H new ATOM 0 HB3 SER A 4 12.578 -17.598 0.230 1.00 2.95 H new ATOM 0 HG SER A 4 12.181 -18.624 -1.813 1.00 3.86 H new ATOM 48 N GLY A 5 14.549 -15.088 1.240 1.00 1.11 N ATOM 49 CA GLY A 5 14.560 -14.394 2.526 1.00 0.31 C ATOM 50 C GLY A 5 13.892 -13.027 2.468 1.00 0.28 C ATOM 51 O GLY A 5 14.565 -12.011 2.294 1.00 0.31 O ATOM 0 H GLY A 5 14.477 -14.473 0.430 1.00 1.11 H new ATOM 0 HA2 GLY A 5 14.053 -15.009 3.269 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.591 -14.275 2.860 1.00 0.31 H new ATOM 55 N LEU A 6 12.547 -13.015 2.613 1.00 0.23 N ATOM 56 CA LEU A 6 11.723 -11.779 2.583 1.00 0.22 C ATOM 57 C LEU A 6 11.573 -11.095 3.982 1.00 0.17 C ATOM 58 O LEU A 6 11.734 -9.866 4.110 1.00 0.16 O ATOM 59 CB LEU A 6 10.349 -12.129 1.960 1.00 0.24 C ATOM 60 CG LEU A 6 9.433 -10.944 1.537 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.121 -9.933 0.617 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.135 -11.414 0.874 1.00 0.35 C ATOM 0 H LEU A 6 11.999 -13.863 2.755 1.00 0.23 H new ATOM 0 HA LEU A 6 12.235 -11.037 1.971 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.526 -12.749 1.081 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.800 -12.740 2.676 1.00 0.24 H new ATOM 0 HG LEU A 6 9.198 -10.442 2.476 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.421 -9.136 0.364 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.986 -9.508 1.126 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.446 -10.433 -0.295 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.533 -10.548 0.599 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.371 -11.991 -0.020 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.576 -12.038 1.571 1.00 0.35 H new ATOM 74 N ALA A 7 11.254 -11.922 5.024 1.00 0.17 N ATOM 75 CA ALA A 7 11.123 -11.507 6.471 1.00 0.16 C ATOM 76 C ALA A 7 12.423 -10.864 7.109 1.00 0.15 C ATOM 77 O ALA A 7 12.336 -10.097 8.078 1.00 0.15 O ATOM 78 CB ALA A 7 10.683 -12.737 7.295 1.00 0.20 C ATOM 0 H ALA A 7 11.076 -12.917 4.886 1.00 0.17 H new ATOM 0 HA ALA A 7 10.379 -10.711 6.497 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.583 -12.456 8.343 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.724 -13.100 6.924 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.430 -13.525 7.200 1.00 0.20 H new ATOM 84 N ASP A 8 13.621 -11.171 6.524 1.00 0.16 N ATOM 85 CA ASP A 8 14.930 -10.623 6.972 1.00 0.18 C ATOM 86 C ASP A 8 15.291 -9.244 6.320 1.00 0.17 C ATOM 87 O ASP A 8 16.226 -8.579 6.773 1.00 0.21 O ATOM 88 CB ASP A 8 16.050 -11.636 6.682 1.00 0.21 C ATOM 89 CG ASP A 8 16.478 -12.422 7.917 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.871 -13.481 8.187 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.419 -11.977 8.606 1.00 0.32 O ATOM 0 H ASP A 8 13.700 -11.806 5.729 1.00 0.16 H new ATOM 0 HA ASP A 8 14.836 -10.449 8.044 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.713 -12.332 5.914 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.913 -11.108 6.277 1.00 0.21 H new ATOM 96 N LYS A 9 14.538 -8.828 5.262 1.00 0.14 N ATOM 97 CA LYS A 9 14.778 -7.539 4.568 1.00 0.14 C ATOM 98 C LYS A 9 13.733 -6.444 4.921 1.00 0.10 C ATOM 99 O LYS A 9 14.034 -5.264 4.732 1.00 0.10 O ATOM 100 CB LYS A 9 14.843 -7.698 3.025 1.00 0.19 C ATOM 101 CG LYS A 9 15.430 -9.038 2.518 1.00 0.32 C ATOM 102 CD LYS A 9 16.934 -9.200 2.847 1.00 0.92 C ATOM 103 CE LYS A 9 17.524 -10.496 2.268 1.00 1.20 C ATOM 104 NZ LYS A 9 18.963 -10.649 2.618 1.00 1.73 N ATOM 0 H LYS A 9 13.764 -9.368 4.876 1.00 0.14 H new ATOM 0 HA LYS A 9 15.751 -7.211 4.935 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.836 -7.587 2.623 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.440 -6.882 2.618 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.875 -9.864 2.963 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.290 -9.105 1.439 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.484 -8.346 2.452 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.069 -9.194 3.929 1.00 0.92 H new ATOM 0 HE2 LYS A 9 16.964 -11.352 2.646 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.411 -10.495 1.184 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 19.301 -11.579 2.299 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.515 -9.901 2.151 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 19.080 -10.573 3.649 1.00 1.73 H new ATOM 118 N VAL A 10 12.492 -6.821 5.412 1.00 0.09 N ATOM 119 CA VAL A 10 11.422 -5.834 5.843 1.00 0.07 C ATOM 120 C VAL A 10 11.888 -4.757 6.925 1.00 0.06 C ATOM 121 O VAL A 10 12.555 -5.089 7.912 1.00 0.09 O ATOM 122 CB VAL A 10 10.076 -6.626 6.264 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.134 -7.427 7.609 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.802 -5.731 6.255 1.00 0.10 C ATOM 0 H VAL A 10 12.211 -7.796 5.518 1.00 0.09 H new ATOM 0 HA VAL A 10 11.203 -5.215 4.973 1.00 0.07 H new ATOM 0 HB VAL A 10 10.008 -7.368 5.469 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.175 -7.915 7.784 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.919 -8.181 7.550 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.349 -6.744 8.431 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.937 -6.326 6.547 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.930 -4.908 6.958 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.646 -5.331 5.253 1.00 0.10 H new ATOM 134 N ILE A 11 11.513 -3.487 6.680 1.00 0.06 N ATOM 135 CA ILE A 11 11.847 -2.384 7.620 1.00 0.07 C ATOM 136 C ILE A 11 10.589 -1.632 8.115 1.00 0.07 C ATOM 137 O ILE A 11 10.588 -1.119 9.239 1.00 0.08 O ATOM 138 CB ILE A 11 12.873 -1.323 7.049 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.514 -0.888 5.585 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.346 -1.843 7.158 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.618 0.621 5.314 1.00 0.16 C ATOM 0 H ILE A 11 10.987 -3.196 5.856 1.00 0.06 H new ATOM 0 HA ILE A 11 12.329 -2.897 8.452 1.00 0.07 H new ATOM 0 HB ILE A 11 12.795 -0.429 7.668 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.173 -1.413 4.894 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.497 -1.213 5.364 1.00 0.10 H new ATOM 0 HG21 ILE A 11 15.027 -1.092 6.758 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.588 -2.033 8.204 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.449 -2.767 6.589 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.351 0.824 4.277 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.937 1.157 5.975 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.640 0.954 5.497 1.00 0.16 H new ATOM 153 N TRP A 12 9.522 -1.573 7.280 1.00 0.06 N ATOM 154 CA TRP A 12 8.289 -0.855 7.639 1.00 0.07 C ATOM 155 C TRP A 12 7.097 -1.317 6.767 1.00 0.08 C ATOM 156 O TRP A 12 7.111 -1.173 5.555 1.00 0.10 O ATOM 157 CB TRP A 12 8.557 0.658 7.493 1.00 0.10 C ATOM 158 CG TRP A 12 7.478 1.561 8.013 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.376 2.127 9.253 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.353 2.004 7.273 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.244 2.902 9.316 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.598 2.834 8.105 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.923 1.764 5.970 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.428 3.430 7.672 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.775 2.345 5.530 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.028 3.178 6.375 1.00 0.54 C ATOM 0 H TRP A 12 9.497 -2.013 6.360 1.00 0.06 H new ATOM 0 HA TRP A 12 8.013 -1.076 8.670 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.486 0.896 8.011 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.715 0.881 6.438 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.079 1.986 10.061 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.934 3.439 10.126 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.496 1.123 5.316 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.849 4.068 8.323 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.436 2.163 4.521 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.121 3.632 6.004 1.00 0.54 H new ATOM 177 N ALA A 13 6.054 -1.903 7.400 1.00 0.09 N ATOM 178 CA ALA A 13 4.829 -2.364 6.675 1.00 0.12 C ATOM 179 C ALA A 13 3.539 -2.006 7.462 1.00 0.16 C ATOM 180 O ALA A 13 3.528 -2.048 8.702 1.00 0.19 O ATOM 181 CB ALA A 13 4.873 -3.895 6.388 1.00 0.14 C ATOM 0 H ALA A 13 6.028 -2.071 8.406 1.00 0.09 H new ATOM 0 HA ALA A 13 4.810 -1.839 5.720 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.967 -4.192 5.860 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.743 -4.125 5.773 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.940 -4.440 7.330 1.00 0.14 H new ATOM 187 N VAL A 14 2.455 -1.615 6.743 1.00 0.20 N ATOM 188 CA VAL A 14 1.169 -1.296 7.412 1.00 0.26 C ATOM 189 C VAL A 14 -0.096 -1.699 6.564 1.00 0.27 C ATOM 190 O VAL A 14 -0.215 -1.403 5.364 1.00 0.28 O ATOM 191 CB VAL A 14 1.114 0.198 8.072 1.00 0.34 C ATOM 192 CG1 VAL A 14 1.109 1.382 7.092 1.00 0.80 C ATOM 193 CG2 VAL A 14 -0.074 0.396 9.059 1.00 1.05 C ATOM 0 H VAL A 14 2.444 -1.515 5.728 1.00 0.20 H new ATOM 0 HA VAL A 14 1.125 -1.954 8.280 1.00 0.26 H new ATOM 0 HB VAL A 14 2.066 0.220 8.602 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.071 2.317 7.651 1.00 0.80 H new ATOM 0 HG12 VAL A 14 2.016 1.358 6.487 1.00 0.80 H new ATOM 0 HG13 VAL A 14 0.237 1.312 6.442 1.00 0.80 H new ATOM 0 HG21 VAL A 14 -0.049 1.409 9.459 1.00 1.05 H new ATOM 0 HG22 VAL A 14 -1.015 0.237 8.532 1.00 1.05 H new ATOM 0 HG23 VAL A 14 0.009 -0.319 9.877 1.00 1.05 H new ATOM 203 N ASN A 15 -1.042 -2.346 7.290 1.00 0.33 N ATOM 204 CA ASN A 15 -2.342 -2.795 6.744 1.00 0.43 C ATOM 205 C ASN A 15 -3.455 -1.786 7.165 1.00 0.46 C ATOM 206 O ASN A 15 -4.063 -1.910 8.234 1.00 0.55 O ATOM 207 CB ASN A 15 -2.688 -4.310 7.138 1.00 0.56 C ATOM 208 CG ASN A 15 -2.683 -4.707 8.638 1.00 1.40 C ATOM 209 OD1 ASN A 15 -3.208 -5.756 9.009 1.00 2.05 O ATOM 210 ND2 ASN A 15 -2.112 -3.859 9.486 1.00 2.11 N ATOM 0 H ASN A 15 -0.921 -2.571 8.277 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.280 -2.801 5.656 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -3.676 -4.539 6.738 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -1.978 -4.957 6.622 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -2.098 -4.068 10.484 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -1.687 -2.999 9.139 1.00 2.11 H new ATOM 217 N ALA A 16 -3.695 -0.760 6.298 1.00 0.47 N ATOM 218 CA ALA A 16 -4.692 0.310 6.567 1.00 0.54 C ATOM 219 C ALA A 16 -6.152 -0.109 6.213 1.00 0.58 C ATOM 220 O ALA A 16 -6.588 -0.181 5.028 1.00 0.63 O ATOM 221 CB ALA A 16 -4.282 1.635 5.883 1.00 0.59 C ATOM 0 H ALA A 16 -3.209 -0.655 5.407 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.691 0.477 7.644 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.028 2.400 6.096 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.313 1.957 6.265 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.215 1.483 4.806 1.00 0.59 H new ATOM 227 N GLY A 17 -6.854 -0.408 7.312 1.00 0.58 N ATOM 228 CA GLY A 17 -8.232 -0.875 7.312 1.00 0.61 C ATOM 229 C GLY A 17 -8.600 -1.510 8.638 1.00 0.62 C ATOM 230 O GLY A 17 -9.611 -1.164 9.250 1.00 0.71 O ATOM 0 H GLY A 17 -6.461 -0.327 8.250 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.901 -0.039 7.109 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.373 -1.598 6.509 1.00 0.61 H new ATOM 234 N GLY A 18 -7.737 -2.441 9.071 1.00 0.72 N ATOM 235 CA GLY A 18 -7.893 -3.144 10.333 1.00 0.73 C ATOM 236 C GLY A 18 -6.758 -2.787 11.287 1.00 0.68 C ATOM 237 O GLY A 18 -6.531 -1.598 11.552 1.00 0.80 O ATOM 0 H GLY A 18 -6.909 -2.722 8.545 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.851 -2.885 10.785 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.904 -4.220 10.158 1.00 0.73 H new ATOM 241 N GLU A 19 -6.048 -3.798 11.819 1.00 0.59 N ATOM 242 CA GLU A 19 -4.918 -3.545 12.713 1.00 0.60 C ATOM 243 C GLU A 19 -4.080 -4.825 12.971 1.00 0.54 C ATOM 244 O GLU A 19 -4.593 -5.816 13.507 1.00 0.65 O ATOM 245 CB GLU A 19 -5.454 -2.903 14.044 1.00 0.77 C ATOM 246 CG GLU A 19 -5.809 -3.872 15.184 1.00 1.43 C ATOM 247 CD GLU A 19 -6.382 -3.171 16.399 1.00 1.39 C ATOM 248 OE1 GLU A 19 -7.554 -2.743 16.343 1.00 1.50 O ATOM 249 OE2 GLU A 19 -5.655 -3.045 17.407 1.00 1.63 O ATOM 0 H GLU A 19 -6.238 -4.785 11.645 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.235 -2.843 12.234 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -4.702 -2.205 14.412 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.342 -2.318 13.806 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -6.530 -4.604 14.820 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -4.915 -4.423 15.477 1.00 1.43 H new ATOM 256 N SER A 20 -2.776 -4.798 12.547 1.00 0.48 N ATOM 257 CA SER A 20 -1.768 -5.901 12.765 1.00 0.45 C ATOM 258 C SER A 20 -2.075 -7.279 12.101 1.00 0.43 C ATOM 259 O SER A 20 -3.045 -7.954 12.464 1.00 0.51 O ATOM 260 CB SER A 20 -1.508 -6.114 14.268 1.00 0.52 C ATOM 261 OG SER A 20 -0.613 -5.139 14.781 1.00 1.00 O ATOM 0 H SER A 20 -2.387 -4.004 12.039 1.00 0.48 H new ATOM 0 HA SER A 20 -0.883 -5.530 12.248 1.00 0.45 H new ATOM 0 HB2 SER A 20 -2.451 -6.067 14.812 1.00 0.52 H new ATOM 0 HB3 SER A 20 -1.096 -7.110 14.430 1.00 0.52 H new ATOM 0 HG SER A 20 -0.468 -5.299 15.737 1.00 1.00 H new ATOM 267 N HIS A 21 -1.219 -7.693 11.151 1.00 0.39 N ATOM 268 CA HIS A 21 -1.379 -8.996 10.460 1.00 0.40 C ATOM 269 C HIS A 21 -0.068 -9.473 9.808 1.00 0.40 C ATOM 270 O HIS A 21 0.654 -8.700 9.185 1.00 0.41 O ATOM 271 CB HIS A 21 -2.517 -8.941 9.391 1.00 0.43 C ATOM 272 CG HIS A 21 -2.645 -10.192 8.534 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.209 -11.373 8.965 1.00 0.39 N ATOM 274 CD2 HIS A 21 -2.214 -10.442 7.279 1.00 0.45 C ATOM 275 CE1 HIS A 21 -3.101 -12.275 7.998 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.509 -11.728 6.978 1.00 0.43 N ATOM 0 H HIS A 21 -0.412 -7.152 10.841 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.655 -9.718 11.228 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.466 -8.766 9.899 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.343 -8.086 8.738 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.719 -9.737 6.628 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.448 -13.296 8.050 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -2.301 -12.193 6.094 1.00 0.43 H new ATOM 285 N VAL A 22 0.192 -10.790 9.921 1.00 0.41 N ATOM 286 CA VAL A 22 1.384 -11.421 9.288 1.00 0.43 C ATOM 287 C VAL A 22 0.977 -12.210 8.030 1.00 0.44 C ATOM 288 O VAL A 22 0.151 -13.129 8.095 1.00 0.48 O ATOM 289 CB VAL A 22 2.287 -12.404 10.179 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.648 -11.784 10.524 1.00 1.38 C ATOM 291 CG2 VAL A 22 1.652 -12.947 11.485 1.00 1.39 C ATOM 0 H VAL A 22 -0.398 -11.440 10.440 1.00 0.41 H new ATOM 0 HA VAL A 22 2.007 -10.550 9.086 1.00 0.43 H new ATOM 0 HB VAL A 22 2.397 -13.264 9.518 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.225 -12.485 11.128 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.191 -11.564 9.605 1.00 1.38 H new ATOM 0 HG13 VAL A 22 3.496 -10.862 11.085 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.364 -13.598 11.993 1.00 1.39 H new ATOM 0 HG22 VAL A 22 1.393 -12.113 12.138 1.00 1.39 H new ATOM 0 HG23 VAL A 22 0.752 -13.512 11.244 1.00 1.39 H new ATOM 301 N ASP A 23 1.589 -11.841 6.890 1.00 0.41 N ATOM 302 CA ASP A 23 1.335 -12.548 5.600 1.00 0.44 C ATOM 303 C ASP A 23 2.252 -13.810 5.456 1.00 0.43 C ATOM 304 O ASP A 23 3.341 -13.842 6.051 1.00 0.41 O ATOM 305 CB ASP A 23 1.355 -11.586 4.336 1.00 0.49 C ATOM 306 CG ASP A 23 2.685 -10.927 3.947 1.00 1.04 C ATOM 307 OD1 ASP A 23 3.735 -11.590 4.091 1.00 1.46 O ATOM 308 OD2 ASP A 23 2.656 -9.792 3.433 1.00 1.85 O ATOM 0 H ASP A 23 2.255 -11.071 6.824 1.00 0.41 H new ATOM 0 HA ASP A 23 0.309 -12.914 5.631 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.003 -12.157 3.477 1.00 0.49 H new ATOM 0 HB3 ASP A 23 0.629 -10.792 4.510 1.00 0.49 H new ATOM 313 N VAL A 24 1.791 -14.793 4.621 1.00 0.47 N ATOM 314 CA VAL A 24 2.435 -16.175 4.371 1.00 0.50 C ATOM 315 C VAL A 24 3.991 -16.289 4.135 1.00 0.47 C ATOM 316 O VAL A 24 4.537 -17.390 4.253 1.00 0.51 O ATOM 317 CB VAL A 24 1.691 -17.070 3.259 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.512 -17.860 3.861 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.168 -16.294 2.013 1.00 0.58 C ATOM 0 H VAL A 24 0.938 -14.667 4.076 1.00 0.47 H new ATOM 0 HA VAL A 24 2.277 -16.569 5.375 1.00 0.50 H new ATOM 0 HB VAL A 24 2.479 -17.738 2.911 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.034 -18.452 3.080 1.00 0.72 H new ATOM 0 HG12 VAL A 24 0.880 -18.522 4.645 1.00 0.72 H new ATOM 0 HG13 VAL A 24 -0.213 -17.165 4.284 1.00 0.72 H new ATOM 0 HG21 VAL A 24 0.684 -16.990 1.328 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.449 -15.538 2.330 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.004 -15.810 1.508 1.00 0.58 H new ATOM 329 N HIS A 25 4.679 -15.181 3.815 1.00 0.42 N ATOM 330 CA HIS A 25 6.157 -15.177 3.654 1.00 0.40 C ATOM 331 C HIS A 25 6.870 -14.720 4.968 1.00 0.36 C ATOM 332 O HIS A 25 8.052 -15.003 5.182 1.00 0.39 O ATOM 333 CB HIS A 25 6.568 -14.256 2.497 1.00 0.38 C ATOM 334 CG HIS A 25 5.903 -14.577 1.182 1.00 0.42 C ATOM 335 ND1 HIS A 25 5.947 -15.827 0.599 1.00 0.45 N ATOM 336 CD2 HIS A 25 5.163 -13.803 0.347 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.266 -15.809 -0.533 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.781 -14.595 -0.709 1.00 0.51 N ATOM 0 H HIS A 25 4.242 -14.272 3.661 1.00 0.42 H new ATOM 0 HA HIS A 25 6.467 -16.198 3.430 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.334 -13.226 2.767 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.649 -14.314 2.368 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.920 -12.760 0.487 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.130 -16.646 -1.201 1.00 0.49 H new ATOM 0 HE2 HIS A 25 4.214 -14.293 -1.501 1.00 0.51 H new ATOM 347 N GLY A 26 6.100 -14.009 5.828 1.00 0.34 N ATOM 348 CA GLY A 26 6.554 -13.509 7.120 1.00 0.32 C ATOM 349 C GLY A 26 6.652 -11.989 7.211 1.00 0.27 C ATOM 350 O GLY A 26 7.575 -11.463 7.838 1.00 0.26 O ATOM 0 H GLY A 26 5.129 -13.770 5.625 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.872 -13.863 7.893 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.532 -13.937 7.338 1.00 0.32 H new ATOM 354 N ILE A 27 5.681 -11.280 6.597 1.00 0.26 N ATOM 355 CA ILE A 27 5.652 -9.799 6.625 1.00 0.23 C ATOM 356 C ILE A 27 4.528 -9.330 7.608 1.00 0.26 C ATOM 357 O ILE A 27 3.350 -9.624 7.410 1.00 0.33 O ATOM 358 CB ILE A 27 5.502 -9.201 5.144 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.708 -9.592 4.195 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.262 -7.654 5.041 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.145 -9.266 4.645 1.00 0.55 C ATOM 0 H ILE A 27 4.911 -11.704 6.079 1.00 0.26 H new ATOM 0 HA ILE A 27 6.598 -9.408 7.000 1.00 0.23 H new ATOM 0 HB ILE A 27 4.583 -9.680 4.806 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.654 -10.666 4.018 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.544 -9.102 3.235 1.00 0.18 H new ATOM 0 HG21 ILE A 27 5.177 -7.368 3.993 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.342 -7.393 5.564 1.00 0.26 H new ATOM 0 HG23 ILE A 27 6.100 -7.125 5.494 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.849 -9.599 3.883 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.246 -8.190 4.788 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.357 -9.778 5.583 1.00 0.55 H new ATOM 373 N HIS A 28 4.923 -8.553 8.627 1.00 0.25 N ATOM 374 CA HIS A 28 3.986 -8.052 9.647 1.00 0.30 C ATOM 375 C HIS A 28 3.580 -6.580 9.410 1.00 0.28 C ATOM 376 O HIS A 28 4.430 -5.688 9.323 1.00 0.28 O ATOM 377 CB HIS A 28 4.623 -8.196 11.031 1.00 0.40 C ATOM 378 CG HIS A 28 3.655 -8.268 12.190 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.535 -9.382 12.991 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.748 -7.374 12.662 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.598 -9.180 13.894 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.106 -7.969 13.722 1.00 1.34 N ATOM 0 H HIS A 28 5.889 -8.256 8.768 1.00 0.25 H new ATOM 0 HA HIS A 28 3.077 -8.649 9.580 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.237 -9.097 11.037 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.294 -7.352 11.192 1.00 0.40 H new ATOM 0 HD2 HIS A 28 2.565 -6.382 12.277 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.285 -9.887 14.648 1.00 1.30 H new ATOM 0 HE2 HIS A 28 1.369 -7.543 14.284 1.00 1.34 H new ATOM 391 N TYR A 29 2.251 -6.353 9.338 1.00 0.33 N ATOM 392 CA TYR A 29 1.662 -5.021 9.134 1.00 0.38 C ATOM 393 C TYR A 29 1.263 -4.376 10.483 1.00 0.45 C ATOM 394 O TYR A 29 0.709 -5.046 11.361 1.00 0.46 O ATOM 395 CB TYR A 29 0.485 -5.143 8.172 1.00 0.45 C ATOM 396 CG TYR A 29 0.911 -5.664 6.801 1.00 0.98 C ATOM 397 CD1 TYR A 29 1.223 -7.009 6.622 1.00 1.34 C ATOM 398 CD2 TYR A 29 1.036 -4.820 5.703 1.00 1.31 C ATOM 399 CE1 TYR A 29 1.643 -7.491 5.404 1.00 1.91 C ATOM 400 CE2 TYR A 29 1.450 -5.302 4.477 1.00 1.91 C ATOM 401 CZ TYR A 29 1.754 -6.634 4.331 1.00 2.21 C ATOM 402 OH TYR A 29 2.171 -7.108 3.109 1.00 2.79 O ATOM 0 H TYR A 29 1.557 -7.096 9.421 1.00 0.33 H new ATOM 0 HA TYR A 29 2.400 -4.354 8.689 1.00 0.38 H new ATOM 0 HB2 TYR A 29 -0.262 -5.814 8.597 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.010 -4.169 8.057 1.00 0.45 H new ATOM 0 HD1 TYR A 29 1.133 -7.688 7.457 1.00 1.34 H new ATOM 0 HD2 TYR A 29 0.806 -3.770 5.811 1.00 1.31 H new ATOM 0 HE1 TYR A 29 1.885 -8.537 5.289 1.00 1.91 H new ATOM 0 HE2 TYR A 29 1.535 -4.633 3.634 1.00 1.91 H new ATOM 0 HH TYR A 29 2.467 -8.037 3.202 1.00 2.79 H new ATOM 412 N ARG A 30 1.551 -3.057 10.624 1.00 0.54 N ATOM 413 CA ARG A 30 1.333 -2.280 11.881 1.00 0.63 C ATOM 414 C ARG A 30 -0.141 -1.951 12.260 1.00 0.91 C ATOM 415 O ARG A 30 -1.060 -1.966 11.435 1.00 1.87 O ATOM 416 CB ARG A 30 2.177 -0.989 11.843 1.00 0.72 C ATOM 417 CG ARG A 30 3.610 -1.121 12.409 1.00 0.68 C ATOM 418 CD ARG A 30 4.393 0.206 12.344 1.00 0.87 C ATOM 419 NE ARG A 30 3.873 1.193 13.289 1.00 1.70 N ATOM 420 CZ ARG A 30 4.474 2.348 13.563 1.00 2.08 C ATOM 421 NH1 ARG A 30 5.614 2.669 12.965 1.00 1.93 N ATOM 422 NH2 ARG A 30 3.933 3.185 14.437 1.00 3.00 N ATOM 0 H ARG A 30 1.943 -2.496 9.868 1.00 0.54 H new ATOM 0 HA ARG A 30 1.656 -2.953 12.675 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.242 -0.647 10.810 1.00 0.72 H new ATOM 0 HB3 ARG A 30 1.653 -0.215 12.403 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.559 -1.459 13.444 1.00 0.68 H new ATOM 0 HG3 ARG A 30 4.149 -1.886 11.850 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.445 0.018 12.558 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.341 0.609 11.333 1.00 0.87 H new ATOM 0 HE ARG A 30 2.997 0.984 13.767 1.00 1.70 H new ATOM 0 HH11 ARG A 30 6.034 2.029 12.291 1.00 1.93 H new ATOM 0 HH12 ARG A 30 6.070 3.556 13.179 1.00 1.93 H new ATOM 0 HH21 ARG A 30 3.056 2.943 14.899 1.00 3.00 H new ATOM 0 HH22 ARG A 30 4.393 4.071 14.647 1.00 3.00 H new ATOM 436 N LYS A 31 -0.294 -1.648 13.562 1.00 0.57 N ATOM 437 CA LYS A 31 -1.571 -1.362 14.229 1.00 0.59 C ATOM 438 C LYS A 31 -1.947 0.154 14.338 1.00 0.64 C ATOM 439 O LYS A 31 -1.648 0.788 15.358 1.00 0.79 O ATOM 440 CB LYS A 31 -1.424 -1.953 15.651 1.00 0.73 C ATOM 441 CG LYS A 31 -2.735 -2.088 16.451 1.00 1.15 C ATOM 442 CD LYS A 31 -2.566 -1.824 17.971 1.00 1.44 C ATOM 443 CE LYS A 31 -1.640 -2.851 18.656 1.00 1.70 C ATOM 444 NZ LYS A 31 -2.094 -4.251 18.423 1.00 2.30 N ATOM 0 H LYS A 31 0.500 -1.594 14.200 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.375 -1.797 13.635 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -0.964 -2.938 15.571 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -0.736 -1.325 16.217 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -3.469 -1.390 16.049 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -3.137 -3.091 16.308 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -2.162 -0.822 18.119 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -3.545 -1.847 18.450 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -0.624 -2.731 18.280 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -1.608 -2.653 19.727 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -1.553 -4.897 19.032 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -3.106 -4.330 18.648 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -1.940 -4.504 17.426 1.00 2.30 H new ATOM 458 N ASP A 32 -2.626 0.720 13.278 1.00 0.61 N ATOM 459 CA ASP A 32 -3.123 2.164 13.207 1.00 0.72 C ATOM 460 C ASP A 32 -2.063 3.267 13.578 1.00 0.75 C ATOM 461 O ASP A 32 -2.083 3.787 14.696 1.00 1.00 O ATOM 462 CB ASP A 32 -4.377 2.333 14.085 1.00 0.86 C ATOM 463 CG ASP A 32 -5.673 2.171 13.301 1.00 0.95 C ATOM 464 OD1 ASP A 32 -6.007 1.024 12.939 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.347 3.192 13.047 1.00 1.17 O ATOM 0 H ASP A 32 -2.850 0.189 12.437 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.351 2.330 12.154 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.352 1.600 14.892 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.360 3.319 14.549 1.00 0.86 H new ATOM 470 N PRO A 33 -1.121 3.617 12.654 1.00 0.59 N ATOM 471 CA PRO A 33 -0.042 4.607 12.925 1.00 0.66 C ATOM 472 C PRO A 33 -0.301 6.115 12.607 1.00 0.83 C ATOM 473 O PRO A 33 0.625 6.918 12.772 1.00 1.45 O ATOM 474 CB PRO A 33 1.092 4.069 12.043 1.00 0.59 C ATOM 475 CG PRO A 33 0.386 3.529 10.830 1.00 0.57 C ATOM 476 CD PRO A 33 -0.967 3.004 11.320 1.00 0.49 C ATOM 0 HA PRO A 33 0.127 4.664 14.000 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.798 4.856 11.777 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.660 3.291 12.554 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.252 4.308 10.079 1.00 0.57 H new ATOM 0 HG3 PRO A 33 0.967 2.733 10.364 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.776 3.296 10.650 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.977 1.916 11.376 1.00 0.49 H new ATOM 484 N LEU A 34 -1.518 6.518 12.167 1.00 0.72 N ATOM 485 CA LEU A 34 -1.752 7.961 11.871 1.00 0.91 C ATOM 486 C LEU A 34 -3.078 8.568 12.417 1.00 1.43 C ATOM 487 O LEU A 34 -3.076 9.752 12.762 1.00 1.91 O ATOM 488 CB LEU A 34 -1.593 8.279 10.355 1.00 1.02 C ATOM 489 CG LEU A 34 -2.704 7.752 9.405 1.00 0.88 C ATOM 490 CD1 LEU A 34 -3.244 8.853 8.498 1.00 1.67 C ATOM 491 CD2 LEU A 34 -2.208 6.588 8.564 1.00 1.33 C ATOM 0 H LEU A 34 -2.318 5.904 12.014 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.963 8.458 12.436 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -1.534 9.361 10.240 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -0.639 7.870 10.021 1.00 1.02 H new ATOM 0 HG LEU A 34 -3.518 7.403 10.041 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -4.018 8.443 7.850 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -3.666 9.652 9.107 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -2.434 9.252 7.888 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -3.010 6.243 7.911 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -1.361 6.911 7.959 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -1.897 5.773 9.218 1.00 1.33 H new ATOM 503 N GLU A 35 -4.212 7.803 12.499 1.00 1.77 N ATOM 504 CA GLU A 35 -5.500 8.377 13.025 1.00 2.54 C ATOM 505 C GLU A 35 -5.660 8.234 14.573 1.00 2.66 C ATOM 506 O GLU A 35 -6.550 7.533 15.071 1.00 3.33 O ATOM 507 CB GLU A 35 -6.725 7.762 12.287 1.00 3.34 C ATOM 508 CG GLU A 35 -6.906 6.243 12.456 1.00 3.49 C ATOM 509 CD GLU A 35 -8.278 5.778 12.000 1.00 4.38 C ATOM 510 OE1 GLU A 35 -8.502 5.699 10.775 1.00 4.80 O ATOM 511 OE2 GLU A 35 -9.130 5.498 12.871 1.00 4.84 O ATOM 0 H GLU A 35 -4.265 6.823 12.220 1.00 1.77 H new ATOM 0 HA GLU A 35 -5.459 9.447 12.819 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -7.628 8.260 12.641 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -6.635 7.984 11.224 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -6.138 5.721 11.885 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -6.762 5.975 13.503 1.00 3.49 H new ATOM 518 N GLY A 36 -4.777 8.931 15.323 1.00 2.22 N ATOM 519 CA GLY A 36 -4.780 8.869 16.795 1.00 2.37 C ATOM 520 C GLY A 36 -3.699 7.935 17.386 1.00 1.99 C ATOM 521 O GLY A 36 -3.320 8.085 18.550 1.00 2.30 O ATOM 0 H GLY A 36 -4.058 9.539 14.932 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -4.634 9.874 17.191 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -5.760 8.533 17.133 1.00 2.37 H new ATOM 525 N ARG A 37 -3.205 6.964 16.537 1.00 1.73 N ATOM 526 CA ARG A 37 -2.169 5.910 16.846 1.00 2.21 C ATOM 527 C ARG A 37 -2.526 4.988 18.056 1.00 2.05 C ATOM 528 O ARG A 37 -1.778 4.872 19.033 1.00 2.64 O ATOM 529 CB ARG A 37 -0.691 6.457 16.925 1.00 3.16 C ATOM 530 CG ARG A 37 -0.510 7.974 17.198 1.00 3.40 C ATOM 531 CD ARG A 37 -0.582 8.825 15.914 1.00 3.20 C ATOM 532 NE ARG A 37 -0.691 10.250 16.219 1.00 3.69 N ATOM 533 CZ ARG A 37 -0.695 11.207 15.294 1.00 3.94 C ATOM 534 NH1 ARG A 37 -0.592 10.896 14.009 1.00 3.94 N ATOM 535 NH2 ARG A 37 -0.803 12.478 15.655 1.00 4.50 N ATOM 0 H ARG A 37 -3.535 6.894 15.574 1.00 1.73 H new ATOM 0 HA ARG A 37 -2.200 5.266 15.967 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -0.169 5.908 17.709 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -0.193 6.221 15.985 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -1.280 8.308 17.893 1.00 3.40 H new ATOM 0 HG3 ARG A 37 0.452 8.139 17.684 1.00 3.40 H new ATOM 0 HD2 ARG A 37 0.308 8.649 15.309 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -1.439 8.513 15.318 1.00 3.20 H new ATOM 0 HE ARG A 37 -0.769 10.527 17.198 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -0.509 9.920 13.726 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -0.596 11.633 13.304 1.00 3.94 H new ATOM 0 HH21 ARG A 37 -0.883 12.723 16.642 1.00 4.50 H new ATOM 0 HH22 ARG A 37 -0.806 13.211 14.946 1.00 4.50 H new ATOM 549 N VAL A 38 -3.707 4.347 17.931 1.00 1.67 N ATOM 550 CA VAL A 38 -4.286 3.414 18.948 1.00 1.61 C ATOM 551 C VAL A 38 -4.895 2.150 18.253 1.00 1.73 C ATOM 552 O VAL A 38 -4.859 2.022 17.024 1.00 2.44 O ATOM 553 CB VAL A 38 -5.373 4.066 19.950 1.00 2.08 C ATOM 554 CG1 VAL A 38 -4.703 4.607 21.230 1.00 2.70 C ATOM 555 CG2 VAL A 38 -6.271 5.192 19.342 1.00 2.63 C ATOM 0 H VAL A 38 -4.303 4.458 17.111 1.00 1.67 H new ATOM 0 HA VAL A 38 -3.441 3.139 19.578 1.00 1.61 H new ATOM 0 HB VAL A 38 -6.038 3.232 20.174 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -5.461 5.039 21.883 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -4.199 3.792 21.749 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -3.975 5.373 20.964 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -6.962 5.556 20.102 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -5.642 6.014 19.000 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -6.836 4.792 18.500 1.00 2.63 H new ATOM 565 N GLY A 39 -5.458 1.212 19.052 1.00 1.64 N ATOM 566 CA GLY A 39 -6.053 -0.025 18.501 1.00 1.95 C ATOM 567 C GLY A 39 -7.543 0.077 18.128 1.00 1.52 C ATOM 568 O GLY A 39 -8.417 -0.139 18.971 1.00 1.67 O ATOM 0 H GLY A 39 -5.512 1.288 20.068 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -5.491 -0.316 17.613 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -5.931 -0.825 19.231 1.00 1.95 H new ATOM 572 N ARG A 40 -7.806 0.406 16.845 1.00 1.49 N ATOM 573 CA ARG A 40 -9.176 0.548 16.310 1.00 1.54 C ATOM 574 C ARG A 40 -9.274 0.029 14.860 1.00 1.40 C ATOM 575 O ARG A 40 -8.634 0.563 13.949 1.00 1.40 O ATOM 576 CB ARG A 40 -9.633 2.025 16.353 1.00 2.19 C ATOM 577 CG ARG A 40 -9.966 2.559 17.765 1.00 2.54 C ATOM 578 CD ARG A 40 -10.319 4.055 17.766 1.00 3.29 C ATOM 579 NE ARG A 40 -10.637 4.532 19.110 1.00 3.83 N ATOM 580 CZ ARG A 40 -10.890 5.805 19.404 1.00 4.62 C ATOM 581 NH1 ARG A 40 -10.865 6.729 18.453 1.00 4.94 N ATOM 582 NH2 ARG A 40 -11.171 6.154 20.653 1.00 5.34 N ATOM 0 H ARG A 40 -7.077 0.580 16.153 1.00 1.49 H new ATOM 0 HA ARG A 40 -9.830 -0.053 16.942 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -8.849 2.646 15.920 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -10.514 2.137 15.720 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -10.802 1.992 18.175 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -9.113 2.391 18.423 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -9.482 4.627 17.365 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -11.169 4.229 17.107 1.00 3.29 H new ATOM 0 HE ARG A 40 -10.667 3.849 19.867 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -10.651 6.465 17.491 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -11.060 7.703 18.683 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -11.193 5.447 21.388 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -11.365 7.130 20.879 1.00 5.34 H new ATOM 596 N ALA A 41 -10.108 -1.023 14.663 1.00 1.35 N ATOM 597 CA ALA A 41 -10.337 -1.659 13.333 1.00 1.29 C ATOM 598 C ALA A 41 -11.753 -1.334 12.775 1.00 1.31 C ATOM 599 O ALA A 41 -12.759 -1.339 13.508 1.00 1.64 O ATOM 600 CB ALA A 41 -10.125 -3.193 13.438 1.00 1.35 C ATOM 0 H ALA A 41 -10.641 -1.456 15.417 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.613 -1.246 12.631 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.294 -3.651 12.463 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -9.105 -3.398 13.764 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.827 -3.609 14.161 1.00 1.35 H new ATOM 606 N SER A 42 -11.809 -1.033 11.461 1.00 1.13 N ATOM 607 CA SER A 42 -13.069 -0.700 10.775 1.00 1.15 C ATOM 608 C SER A 42 -13.310 -1.586 9.539 1.00 1.10 C ATOM 609 O SER A 42 -12.409 -1.817 8.726 1.00 1.57 O ATOM 610 CB SER A 42 -13.078 0.778 10.358 1.00 1.23 C ATOM 611 OG SER A 42 -13.477 1.615 11.433 1.00 1.43 O ATOM 0 H SER A 42 -10.990 -1.015 10.853 1.00 1.13 H new ATOM 0 HA SER A 42 -13.876 -0.887 11.483 1.00 1.15 H new ATOM 0 HB2 SER A 42 -12.084 1.068 10.018 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.756 0.916 9.516 1.00 1.23 H new ATOM 0 HG SER A 42 -13.472 2.550 11.139 1.00 1.43 H new ATOM 617 N ASP A 43 -14.550 -2.072 9.415 1.00 0.99 N ATOM 618 CA ASP A 43 -14.959 -2.934 8.290 1.00 0.98 C ATOM 619 C ASP A 43 -16.274 -2.433 7.646 1.00 1.13 C ATOM 620 O ASP A 43 -16.261 -1.992 6.495 1.00 1.62 O ATOM 621 CB ASP A 43 -15.109 -4.393 8.751 1.00 1.01 C ATOM 622 CG ASP A 43 -13.964 -5.280 8.299 1.00 1.65 C ATOM 623 OD1 ASP A 43 -13.907 -5.601 7.092 1.00 2.33 O ATOM 624 OD2 ASP A 43 -13.126 -5.654 9.149 1.00 1.80 O ATOM 0 H ASP A 43 -15.297 -1.883 10.084 1.00 0.99 H new ATOM 0 HA ASP A 43 -14.175 -2.886 7.534 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -15.174 -4.419 9.839 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -16.046 -4.795 8.366 1.00 1.01 H new ATOM 629 N TYR A 44 -17.416 -2.514 8.416 1.00 1.26 N ATOM 630 CA TYR A 44 -18.808 -2.106 7.985 1.00 1.48 C ATOM 631 C TYR A 44 -19.486 -3.205 7.123 1.00 1.68 C ATOM 632 O TYR A 44 -20.451 -3.841 7.558 1.00 2.40 O ATOM 633 CB TYR A 44 -18.836 -0.731 7.261 1.00 1.58 C ATOM 634 CG TYR A 44 -20.173 0.022 7.385 1.00 1.67 C ATOM 635 CD1 TYR A 44 -20.423 0.880 8.462 1.00 2.02 C ATOM 636 CD2 TYR A 44 -21.188 -0.132 6.430 1.00 1.93 C ATOM 637 CE1 TYR A 44 -21.628 1.554 8.579 1.00 2.50 C ATOM 638 CE2 TYR A 44 -22.394 0.543 6.551 1.00 2.32 C ATOM 639 CZ TYR A 44 -22.605 1.381 7.623 1.00 2.56 C ATOM 640 OH TYR A 44 -23.802 2.048 7.742 1.00 3.16 O ATOM 0 H TYR A 44 -17.395 -2.871 9.371 1.00 1.26 H new ATOM 0 HA TYR A 44 -19.387 -1.991 8.901 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -18.041 -0.105 7.665 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -18.615 -0.885 6.205 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.662 1.019 9.216 1.00 2.02 H new ATOM 0 HD2 TYR A 44 -21.028 -0.787 5.586 1.00 1.93 H new ATOM 0 HE1 TYR A 44 -21.801 2.213 9.417 1.00 2.50 H new ATOM 0 HE2 TYR A 44 -23.165 0.412 5.806 1.00 2.32 H new ATOM 0 HH TYR A 44 -24.381 1.818 6.986 1.00 3.16 H new ATOM 650 N GLY A 45 -18.952 -3.403 5.898 1.00 1.41 N ATOM 651 CA GLY A 45 -19.422 -4.439 4.986 1.00 1.52 C ATOM 652 C GLY A 45 -18.332 -5.486 4.781 1.00 1.29 C ATOM 653 O GLY A 45 -17.494 -5.355 3.884 1.00 1.22 O ATOM 0 H GLY A 45 -18.185 -2.844 5.525 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -20.319 -4.910 5.388 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -19.697 -3.996 4.029 1.00 1.52 H new ATOM 657 N MET A 46 -18.363 -6.537 5.629 1.00 1.26 N ATOM 658 CA MET A 46 -17.348 -7.623 5.625 1.00 1.14 C ATOM 659 C MET A 46 -17.630 -8.811 4.648 1.00 1.13 C ATOM 660 O MET A 46 -16.848 -9.767 4.606 1.00 1.13 O ATOM 661 CB MET A 46 -17.183 -8.166 7.059 1.00 1.28 C ATOM 662 CG MET A 46 -15.743 -8.579 7.432 1.00 1.04 C ATOM 663 SD MET A 46 -15.680 -9.839 8.729 1.00 1.58 S ATOM 664 CE MET A 46 -15.960 -8.870 10.215 1.00 1.67 C ATOM 0 H MET A 46 -19.089 -6.660 6.335 1.00 1.26 H new ATOM 0 HA MET A 46 -16.433 -7.162 5.253 1.00 1.14 H new ATOM 0 HB2 MET A 46 -17.522 -7.405 7.762 1.00 1.28 H new ATOM 0 HB3 MET A 46 -17.837 -9.029 7.184 1.00 1.28 H new ATOM 0 HG2 MET A 46 -15.237 -8.956 6.543 1.00 1.04 H new ATOM 0 HG3 MET A 46 -15.193 -7.698 7.762 1.00 1.04 H new ATOM 0 HE1 MET A 46 -15.945 -9.526 11.085 1.00 1.67 H new ATOM 0 HE2 MET A 46 -15.176 -8.119 10.313 1.00 1.67 H new ATOM 0 HE3 MET A 46 -16.929 -8.376 10.150 1.00 1.67 H new ATOM 674 N LYS A 47 -18.732 -8.744 3.867 1.00 1.20 N ATOM 675 CA LYS A 47 -19.083 -9.803 2.893 1.00 1.24 C ATOM 676 C LYS A 47 -18.804 -9.385 1.412 1.00 1.33 C ATOM 677 O LYS A 47 -19.561 -9.709 0.492 1.00 1.68 O ATOM 678 CB LYS A 47 -20.550 -10.263 3.122 1.00 1.34 C ATOM 679 CG LYS A 47 -21.611 -9.125 3.201 1.00 2.03 C ATOM 680 CD LYS A 47 -22.147 -8.688 1.819 1.00 2.90 C ATOM 681 CE LYS A 47 -23.118 -7.499 1.922 1.00 3.65 C ATOM 682 NZ LYS A 47 -24.298 -7.819 2.773 1.00 4.18 N ATOM 0 H LYS A 47 -19.393 -7.968 3.892 1.00 1.20 H new ATOM 0 HA LYS A 47 -18.427 -10.655 3.069 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -20.829 -10.939 2.314 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -20.591 -10.837 4.047 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -22.446 -9.459 3.817 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -21.171 -8.262 3.701 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -21.310 -8.417 1.176 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -22.654 -9.529 1.345 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -22.594 -6.637 2.336 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -23.455 -7.218 0.924 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -24.992 -7.047 2.709 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -24.734 -8.704 2.444 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -23.994 -7.930 3.761 1.00 4.18 H new ATOM 696 N LEU A 48 -17.669 -8.680 1.231 1.00 1.18 N ATOM 697 CA LEU A 48 -17.169 -8.206 -0.061 1.00 1.29 C ATOM 698 C LEU A 48 -15.660 -8.538 -0.135 1.00 1.00 C ATOM 699 O LEU A 48 -14.816 -7.651 0.050 1.00 1.21 O ATOM 700 CB LEU A 48 -17.394 -6.682 -0.190 1.00 1.76 C ATOM 701 CG LEU A 48 -18.815 -6.226 -0.625 1.00 1.96 C ATOM 702 CD1 LEU A 48 -19.177 -4.873 -0.015 1.00 2.24 C ATOM 703 CD2 LEU A 48 -18.936 -6.149 -2.152 1.00 2.63 C ATOM 0 H LEU A 48 -17.062 -8.421 2.008 1.00 1.18 H new ATOM 0 HA LEU A 48 -17.701 -8.693 -0.878 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.167 -6.221 0.771 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -16.675 -6.290 -0.909 1.00 1.76 H new ATOM 0 HG LEU A 48 -19.514 -6.976 -0.255 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -20.177 -4.583 -0.339 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -19.155 -4.947 1.072 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -18.458 -4.122 -0.342 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.942 -5.827 -2.422 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -18.210 -5.434 -2.539 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -18.742 -7.131 -2.582 1.00 2.63 H new ATOM 715 N PRO A 49 -15.287 -9.840 -0.398 1.00 0.82 N ATOM 716 CA PRO A 49 -13.863 -10.294 -0.417 1.00 0.89 C ATOM 717 C PRO A 49 -13.061 -10.030 -1.714 1.00 0.75 C ATOM 718 O PRO A 49 -13.636 -9.771 -2.773 1.00 0.78 O ATOM 719 CB PRO A 49 -14.017 -11.809 -0.187 1.00 1.31 C ATOM 720 CG PRO A 49 -15.301 -12.168 -0.878 1.00 1.37 C ATOM 721 CD PRO A 49 -16.221 -10.976 -0.664 1.00 1.05 C ATOM 0 HA PRO A 49 -13.281 -9.739 0.319 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -13.175 -12.361 -0.604 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -14.059 -12.046 0.876 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -15.138 -12.353 -1.940 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -15.732 -13.077 -0.459 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.839 -10.787 -1.541 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.898 -11.140 0.174 1.00 1.05 H new ATOM 729 N ILE A 50 -11.705 -10.102 -1.587 1.00 0.67 N ATOM 730 CA ILE A 50 -10.765 -9.911 -2.706 1.00 0.60 C ATOM 731 C ILE A 50 -10.521 -11.291 -3.447 1.00 0.64 C ATOM 732 O ILE A 50 -10.295 -12.331 -2.815 1.00 0.69 O ATOM 733 CB ILE A 50 -9.450 -9.092 -2.154 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.541 -7.578 -2.523 1.00 0.54 C ATOM 735 CG2 ILE A 50 -8.061 -9.589 -2.639 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.692 -6.799 -1.901 1.00 0.59 C ATOM 0 H ILE A 50 -11.242 -10.295 -0.699 1.00 0.67 H new ATOM 0 HA ILE A 50 -11.164 -9.277 -3.498 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.494 -9.276 -1.081 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.607 -7.098 -2.232 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.618 -7.494 -3.607 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.279 -8.966 -2.204 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.916 -10.623 -2.328 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -8.012 -9.527 -3.726 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.649 -5.761 -2.231 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.639 -7.240 -2.211 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.612 -6.838 -0.815 1.00 0.59 H new ATOM 748 N LEU A 51 -10.561 -11.238 -4.795 1.00 0.65 N ATOM 749 CA LEU A 51 -10.426 -12.434 -5.676 1.00 0.71 C ATOM 750 C LEU A 51 -8.984 -12.791 -6.127 1.00 0.78 C ATOM 751 O LEU A 51 -8.751 -13.927 -6.553 1.00 1.26 O ATOM 752 CB LEU A 51 -11.271 -12.217 -6.953 1.00 0.74 C ATOM 753 CG LEU A 51 -12.726 -12.814 -7.027 1.00 0.86 C ATOM 754 CD1 LEU A 51 -12.753 -14.337 -6.853 1.00 1.22 C ATOM 755 CD2 LEU A 51 -13.681 -12.153 -6.026 1.00 1.28 C ATOM 0 H LEU A 51 -10.688 -10.367 -5.311 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.767 -13.267 -5.061 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.350 -11.142 -7.114 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.707 -12.625 -7.792 1.00 0.74 H new ATOM 0 HG LEU A 51 -13.077 -12.587 -8.034 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -13.782 -14.692 -6.913 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -12.162 -14.804 -7.641 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -12.335 -14.600 -5.881 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -14.671 -12.600 -6.118 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -13.307 -12.303 -5.013 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -13.745 -11.085 -6.235 1.00 1.28 H new ATOM 767 N ARG A 52 -8.025 -11.846 -6.036 1.00 0.58 N ATOM 768 CA ARG A 52 -6.634 -12.109 -6.468 1.00 0.58 C ATOM 769 C ARG A 52 -5.629 -12.353 -5.297 1.00 0.57 C ATOM 770 O ARG A 52 -4.425 -12.120 -5.456 1.00 0.65 O ATOM 771 CB ARG A 52 -6.137 -10.937 -7.347 1.00 0.57 C ATOM 772 CG ARG A 52 -5.914 -11.264 -8.849 1.00 0.70 C ATOM 773 CD ARG A 52 -7.224 -11.525 -9.615 1.00 0.64 C ATOM 774 NE ARG A 52 -6.978 -11.757 -11.036 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.939 -11.995 -11.924 1.00 1.19 C ATOM 776 NH1 ARG A 52 -9.208 -12.038 -11.539 1.00 1.34 N ATOM 777 NH2 ARG A 52 -7.631 -12.193 -13.199 1.00 1.51 N ATOM 0 H ARG A 52 -8.183 -10.906 -5.673 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.664 -13.040 -7.034 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -6.858 -10.123 -7.275 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.199 -10.569 -6.932 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -5.385 -10.436 -9.320 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -5.272 -12.141 -8.932 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.731 -12.390 -9.187 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.892 -10.672 -9.495 1.00 0.64 H new ATOM 0 HE ARG A 52 -6.013 -11.735 -11.366 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -9.449 -11.888 -10.559 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.942 -12.221 -12.223 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -6.657 -12.163 -13.499 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -8.369 -12.376 -13.879 1.00 1.51 H new ATOM 791 N SER A 53 -6.124 -12.833 -4.131 1.00 0.53 N ATOM 792 CA SER A 53 -5.262 -13.117 -2.973 1.00 0.54 C ATOM 793 C SER A 53 -5.674 -14.425 -2.219 1.00 0.57 C ATOM 794 O SER A 53 -6.433 -15.265 -2.718 1.00 0.67 O ATOM 795 CB SER A 53 -5.287 -11.899 -2.012 1.00 0.53 C ATOM 796 OG SER A 53 -4.058 -11.765 -1.308 1.00 1.09 O ATOM 0 H SER A 53 -7.113 -13.029 -3.974 1.00 0.53 H new ATOM 0 HA SER A 53 -4.249 -13.283 -3.341 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.483 -10.990 -2.580 1.00 0.53 H new ATOM 0 HB3 SER A 53 -6.105 -12.012 -1.300 1.00 0.53 H new ATOM 0 HG SER A 53 -4.002 -10.869 -0.914 1.00 1.09 H new ATOM 802 N ASN A 54 -5.119 -14.560 -0.992 1.00 0.59 N ATOM 803 CA ASN A 54 -5.353 -15.677 -0.030 1.00 0.64 C ATOM 804 C ASN A 54 -6.580 -15.359 0.895 1.00 0.63 C ATOM 805 O ASN A 54 -7.110 -14.268 0.800 1.00 0.66 O ATOM 806 CB ASN A 54 -4.082 -15.740 0.828 1.00 0.80 C ATOM 807 CG ASN A 54 -3.431 -17.098 1.000 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.650 -18.034 0.229 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.600 -17.177 2.034 1.00 1.12 N ATOM 0 H ASN A 54 -4.467 -13.867 -0.624 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.562 -16.613 -0.548 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.346 -15.065 0.392 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -4.323 -15.353 1.818 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -2.103 -18.047 2.224 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.459 -16.367 2.638 1.00 1.12 H new ATOM 816 N PRO A 55 -7.098 -16.297 1.771 1.00 0.71 N ATOM 817 CA PRO A 55 -8.232 -15.981 2.721 1.00 0.75 C ATOM 818 C PRO A 55 -7.817 -15.057 3.917 1.00 0.74 C ATOM 819 O PRO A 55 -8.473 -14.039 4.224 1.00 0.80 O ATOM 820 CB PRO A 55 -8.671 -17.375 3.218 1.00 0.89 C ATOM 821 CG PRO A 55 -7.433 -18.227 3.099 1.00 0.95 C ATOM 822 CD PRO A 55 -6.700 -17.725 1.861 1.00 0.83 C ATOM 0 HA PRO A 55 -9.022 -15.416 2.226 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -9.028 -17.335 4.247 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -9.486 -17.773 2.614 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -6.808 -18.135 3.987 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -7.692 -19.281 2.999 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.620 -17.834 1.963 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -6.993 -18.279 0.970 1.00 0.83 H new ATOM 830 N GLU A 56 -6.633 -15.383 4.489 1.00 0.71 N ATOM 831 CA GLU A 56 -6.000 -14.659 5.635 1.00 0.73 C ATOM 832 C GLU A 56 -5.346 -13.312 5.184 1.00 0.65 C ATOM 833 O GLU A 56 -5.528 -12.226 5.798 1.00 0.67 O ATOM 834 CB GLU A 56 -4.941 -15.595 6.293 1.00 0.80 C ATOM 835 CG GLU A 56 -3.981 -16.304 5.320 1.00 0.97 C ATOM 836 CD GLU A 56 -2.925 -17.119 6.043 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.872 -16.548 6.398 1.00 1.63 O ATOM 838 OE2 GLU A 56 -3.151 -18.330 6.255 1.00 2.04 O ATOM 0 H GLU A 56 -6.074 -16.172 4.165 1.00 0.71 H new ATOM 0 HA GLU A 56 -6.773 -14.403 6.360 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -4.349 -15.007 6.995 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -5.465 -16.353 6.875 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.553 -16.957 4.661 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.494 -15.561 4.688 1.00 0.97 H new ATOM 845 N ASP A 57 -4.674 -13.381 4.014 1.00 0.62 N ATOM 846 CA ASP A 57 -4.033 -12.207 3.392 1.00 0.58 C ATOM 847 C ASP A 57 -5.044 -11.401 2.487 1.00 0.52 C ATOM 848 O ASP A 57 -4.676 -10.425 1.833 1.00 0.53 O ATOM 849 CB ASP A 57 -2.766 -12.604 2.615 1.00 0.60 C ATOM 850 CG ASP A 57 -1.675 -13.270 3.446 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.871 -13.405 4.665 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.629 -13.638 2.875 1.00 1.62 O ATOM 0 H ASP A 57 -4.563 -14.243 3.481 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.724 -11.541 4.198 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -3.051 -13.281 1.809 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.351 -11.711 2.149 1.00 0.60 H new ATOM 857 N GLN A 58 -6.343 -11.869 2.501 1.00 0.52 N ATOM 858 CA GLN A 58 -7.529 -11.215 1.887 1.00 0.51 C ATOM 859 C GLN A 58 -8.017 -10.170 2.909 1.00 0.50 C ATOM 860 O GLN A 58 -8.351 -9.060 2.549 1.00 0.49 O ATOM 861 CB GLN A 58 -8.644 -12.247 1.640 1.00 0.60 C ATOM 862 CG GLN A 58 -9.892 -11.744 0.916 1.00 0.84 C ATOM 863 CD GLN A 58 -10.971 -12.805 0.897 1.00 0.91 C ATOM 864 OE1 GLN A 58 -11.806 -12.870 1.799 1.00 1.16 O ATOM 865 NE2 GLN A 58 -10.955 -13.652 -0.126 1.00 1.77 N ATOM 0 H GLN A 58 -6.586 -12.746 2.961 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.274 -10.763 0.929 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -8.224 -13.071 1.063 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.950 -12.655 2.603 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -10.267 -10.847 1.410 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.636 -11.462 -0.105 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -10.244 -13.561 -0.852 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -11.653 -14.393 -0.186 1.00 1.77 H new ATOM 874 N VAL A 59 -7.981 -10.578 4.233 1.00 0.52 N ATOM 875 CA VAL A 59 -8.272 -9.689 5.437 1.00 0.54 C ATOM 876 C VAL A 59 -7.323 -8.435 5.406 1.00 0.52 C ATOM 877 O VAL A 59 -7.786 -7.311 5.596 1.00 0.55 O ATOM 878 CB VAL A 59 -8.082 -10.452 6.848 1.00 0.55 C ATOM 879 CG1 VAL A 59 -8.485 -9.607 8.091 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.866 -11.765 6.931 1.00 0.81 C ATOM 0 H VAL A 59 -7.749 -11.535 4.498 1.00 0.52 H new ATOM 0 HA VAL A 59 -9.318 -9.393 5.363 1.00 0.54 H new ATOM 0 HB VAL A 59 -7.009 -10.643 6.873 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -8.327 -10.193 8.996 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -7.874 -8.705 8.131 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -9.537 -9.330 8.017 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.697 -12.229 7.903 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.930 -11.562 6.806 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.530 -12.440 6.143 1.00 0.81 H new ATOM 890 N LEU A 60 -6.002 -8.660 5.148 1.00 0.49 N ATOM 891 CA LEU A 60 -5.031 -7.544 5.020 1.00 0.48 C ATOM 892 C LEU A 60 -5.216 -6.714 3.664 1.00 0.49 C ATOM 893 O LEU A 60 -5.117 -5.486 3.667 1.00 0.65 O ATOM 894 CB LEU A 60 -3.611 -8.170 5.211 1.00 0.52 C ATOM 895 CG LEU A 60 -2.565 -7.977 4.086 1.00 0.71 C ATOM 896 CD1 LEU A 60 -1.813 -6.683 4.266 1.00 1.15 C ATOM 897 CD2 LEU A 60 -1.515 -9.075 4.003 1.00 0.90 C ATOM 0 H LEU A 60 -5.596 -9.588 5.027 1.00 0.49 H new ATOM 0 HA LEU A 60 -5.197 -6.785 5.785 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -3.189 -7.763 6.130 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -3.738 -9.241 5.366 1.00 0.52 H new ATOM 0 HG LEU A 60 -3.158 -7.991 3.172 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -1.084 -6.571 3.463 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -2.514 -5.848 4.239 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -1.297 -6.693 5.226 1.00 1.15 H new ATOM 0 HD21 LEU A 60 -0.825 -8.858 3.188 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.964 -9.123 4.942 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -2.003 -10.032 3.820 1.00 0.90 H new ATOM 909 N TYR A 61 -5.502 -7.429 2.546 1.00 0.44 N ATOM 910 CA TYR A 61 -5.750 -6.840 1.178 1.00 0.45 C ATOM 911 C TYR A 61 -7.265 -6.504 0.866 1.00 0.47 C ATOM 912 O TYR A 61 -7.637 -6.362 -0.300 1.00 0.52 O ATOM 913 CB TYR A 61 -5.237 -7.841 0.110 1.00 0.44 C ATOM 914 CG TYR A 61 -3.698 -7.964 -0.119 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.735 -7.209 0.572 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.212 -8.884 -1.049 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.376 -7.376 0.335 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.857 -9.053 -1.280 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.948 -8.297 -0.586 1.00 0.72 C ATOM 920 OH TYR A 61 0.398 -8.464 -0.815 1.00 0.88 O ATOM 0 H TYR A 61 -5.571 -8.447 2.556 1.00 0.44 H new ATOM 0 HA TYR A 61 -5.217 -5.890 1.155 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.612 -8.829 0.375 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.693 -7.572 -0.843 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -3.058 -6.483 1.303 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.916 -9.484 -1.607 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.656 -6.780 0.877 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.517 -9.778 -2.005 1.00 0.92 H new ATOM 0 HH TYR A 61 0.531 -9.156 -1.496 1.00 0.88 H new ATOM 930 N GLN A 62 -8.104 -6.358 1.920 1.00 0.50 N ATOM 931 CA GLN A 62 -9.580 -6.067 1.782 1.00 0.57 C ATOM 932 C GLN A 62 -10.139 -4.981 2.745 1.00 0.70 C ATOM 933 O GLN A 62 -10.966 -4.168 2.324 1.00 1.33 O ATOM 934 CB GLN A 62 -10.410 -7.366 2.011 1.00 0.57 C ATOM 935 CG GLN A 62 -11.952 -7.221 1.902 1.00 0.75 C ATOM 936 CD GLN A 62 -12.670 -7.788 3.115 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.934 -7.073 4.082 1.00 1.26 O ATOM 938 NE2 GLN A 62 -12.982 -9.077 3.075 1.00 1.02 N ATOM 0 H GLN A 62 -7.795 -6.435 2.889 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.681 -5.679 0.768 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -10.084 -8.113 1.287 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -10.171 -7.755 3.001 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -12.209 -6.168 1.790 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -12.300 -7.732 1.004 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -12.745 -9.634 2.254 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.459 -9.511 3.865 1.00 1.02 H new ATOM 947 N THR A 63 -9.719 -4.998 4.034 1.00 0.58 N ATOM 948 CA THR A 63 -10.223 -4.037 5.122 1.00 0.62 C ATOM 949 C THR A 63 -9.895 -2.513 4.870 1.00 0.76 C ATOM 950 O THR A 63 -8.775 -2.174 4.484 1.00 1.28 O ATOM 951 CB THR A 63 -9.733 -4.444 6.574 1.00 0.59 C ATOM 952 OG1 THR A 63 -8.297 -4.554 6.638 1.00 0.63 O ATOM 953 CG2 THR A 63 -10.352 -5.770 7.073 1.00 0.60 C ATOM 0 H THR A 63 -9.026 -5.663 4.377 1.00 0.58 H new ATOM 0 HA THR A 63 -11.306 -4.143 5.060 1.00 0.62 H new ATOM 0 HB THR A 63 -10.074 -3.639 7.226 1.00 0.59 H new ATOM 0 HG1 THR A 63 -8.022 -5.437 6.314 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.977 -5.993 8.072 1.00 0.60 H new ATOM 0 HG22 THR A 63 -11.437 -5.675 7.105 1.00 0.60 H new ATOM 0 HG23 THR A 63 -10.078 -6.578 6.394 1.00 0.60 H new ATOM 961 N GLU A 64 -10.885 -1.619 5.138 1.00 0.57 N ATOM 962 CA GLU A 64 -10.747 -0.146 4.890 1.00 0.60 C ATOM 963 C GLU A 64 -10.771 0.743 6.167 1.00 0.64 C ATOM 964 O GLU A 64 -11.488 0.467 7.134 1.00 0.69 O ATOM 965 CB GLU A 64 -11.890 0.326 3.951 1.00 0.67 C ATOM 966 CG GLU A 64 -13.313 0.130 4.514 1.00 0.84 C ATOM 967 CD GLU A 64 -14.389 0.717 3.620 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.211 1.859 3.147 1.00 1.53 O ATOM 969 OE2 GLU A 64 -15.411 0.035 3.390 1.00 1.50 O ATOM 0 H GLU A 64 -11.790 -1.887 5.526 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.760 -0.021 4.444 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.745 1.383 3.728 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -11.811 -0.212 3.007 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -13.501 -0.935 4.649 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -13.375 0.592 5.499 1.00 0.84 H new ATOM 976 N ARG A 65 -9.969 1.828 6.122 1.00 0.74 N ATOM 977 CA ARG A 65 -9.872 2.829 7.216 1.00 0.91 C ATOM 978 C ARG A 65 -10.416 4.221 6.776 1.00 1.19 C ATOM 979 O ARG A 65 -10.450 4.545 5.580 1.00 2.12 O ATOM 980 CB ARG A 65 -8.400 2.972 7.667 1.00 0.98 C ATOM 981 CG ARG A 65 -8.084 2.444 9.090 1.00 0.90 C ATOM 982 CD ARG A 65 -6.599 2.627 9.483 1.00 0.96 C ATOM 983 NE ARG A 65 -6.276 4.024 9.772 1.00 1.63 N ATOM 984 CZ ARG A 65 -5.766 4.883 8.883 1.00 2.39 C ATOM 985 NH1 ARG A 65 -5.514 4.505 7.635 1.00 2.86 N ATOM 986 NH2 ARG A 65 -5.521 6.130 9.241 1.00 3.22 N ATOM 0 H ARG A 65 -9.367 2.039 5.326 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.485 2.473 8.044 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -7.767 2.444 6.954 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -8.124 4.026 7.620 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -8.713 2.964 9.813 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.342 1.386 9.145 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.378 2.015 10.358 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -5.963 2.268 8.674 1.00 0.96 H new ATOM 0 HE ARG A 65 -6.452 4.367 10.717 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -5.710 3.548 7.343 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -5.125 5.172 6.969 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -5.721 6.436 10.193 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -5.132 6.788 8.565 1.00 3.22 H new ATOM 1000 N TYR A 66 -10.822 5.047 7.762 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.388 6.390 7.490 1.00 0.92 C ATOM 1002 C TYR A 66 -10.717 7.506 8.333 1.00 1.10 C ATOM 1003 O TYR A 66 -10.436 7.325 9.523 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.908 6.363 7.768 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.717 7.488 7.099 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -14.137 7.393 5.765 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -14.055 8.649 7.801 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -14.861 8.412 5.166 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -14.779 9.667 7.200 1.00 2.90 C ATOM 1010 CZ TYR A 66 -15.196 9.521 5.877 1.00 2.96 C ATOM 1011 OH TYR A 66 -15.894 10.552 5.291 1.00 3.66 O ATOM 0 H TYR A 66 -10.770 4.811 8.753 1.00 0.77 H new ATOM 0 HA TYR A 66 -11.193 6.625 6.444 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -13.305 5.404 7.435 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -13.065 6.416 8.845 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -13.892 6.510 5.194 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -13.746 8.755 8.831 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -15.160 8.325 4.132 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -15.018 10.565 7.751 1.00 2.90 H new ATOM 0 HH TYR A 66 -16.046 11.261 5.951 1.00 3.66 H new ATOM 1021 N ASN A 67 -10.492 8.676 7.691 1.00 1.30 N ATOM 1022 CA ASN A 67 -9.873 9.842 8.359 1.00 1.97 C ATOM 1023 C ASN A 67 -10.620 11.161 8.017 1.00 1.59 C ATOM 1024 O ASN A 67 -11.613 11.484 8.676 1.00 1.69 O ATOM 1025 CB ASN A 67 -8.374 9.942 8.011 1.00 3.06 C ATOM 1026 CG ASN A 67 -7.467 9.543 9.163 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -7.070 8.387 9.275 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -7.136 10.501 10.021 1.00 4.70 N ATOM 0 H ASN A 67 -10.730 8.836 6.712 1.00 1.30 H new ATOM 0 HA ASN A 67 -9.960 9.691 9.435 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -8.163 9.304 7.153 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -8.144 10.965 7.713 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -6.528 10.289 10.812 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -7.490 11.449 9.889 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.144 11.922 6.994 1.00 1.31 N ATOM 1036 CA GLU A 68 -10.783 13.196 6.601 1.00 1.11 C ATOM 1037 C GLU A 68 -10.397 13.622 5.156 1.00 0.91 C ATOM 1038 O GLU A 68 -11.056 13.201 4.202 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.455 14.315 7.635 1.00 1.42 C ATOM 1040 CG GLU A 68 -11.369 15.551 7.567 1.00 1.26 C ATOM 1041 CD GLU A 68 -10.960 16.628 8.555 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -10.119 17.477 8.193 1.00 2.55 O ATOM 1043 OE2 GLU A 68 -11.483 16.624 9.689 1.00 2.25 O ATOM 0 H GLU A 68 -9.328 11.673 6.435 1.00 1.31 H new ATOM 0 HA GLU A 68 -11.862 13.038 6.601 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.516 13.892 8.638 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -9.424 14.636 7.486 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -11.347 15.961 6.557 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -12.398 15.250 7.767 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.320 14.439 5.001 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.863 14.955 3.680 1.00 0.75 C ATOM 1052 C ASP A 69 -7.364 15.310 3.732 1.00 0.69 C ATOM 1053 O ASP A 69 -6.941 16.117 4.571 1.00 1.33 O ATOM 1054 CB ASP A 69 -9.651 16.226 3.265 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.883 15.961 2.396 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.889 14.961 1.647 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -11.841 16.759 2.472 1.00 2.15 O ATOM 0 H ASP A 69 -8.747 14.757 5.783 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.040 14.167 2.948 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -9.966 16.752 4.166 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -8.979 16.893 2.725 1.00 1.17 H new ATOM 1062 N SER A 70 -6.553 14.706 2.800 1.00 0.72 N ATOM 1063 CA SER A 70 -5.057 14.896 2.688 1.00 0.57 C ATOM 1064 C SER A 70 -4.308 14.266 3.882 1.00 0.53 C ATOM 1065 O SER A 70 -4.046 14.942 4.886 1.00 0.57 O ATOM 1066 CB SER A 70 -4.681 16.384 2.533 1.00 0.70 C ATOM 1067 OG SER A 70 -4.024 16.621 1.298 1.00 0.77 O ATOM 0 H SER A 70 -6.921 14.066 2.096 1.00 0.72 H new ATOM 0 HA SER A 70 -4.742 14.375 1.784 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.580 16.997 2.593 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.034 16.686 3.356 1.00 0.70 H new ATOM 0 HG SER A 70 -3.798 17.572 1.225 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.971 12.971 3.767 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.321 12.264 4.891 1.00 0.47 C ATOM 1075 C PHE A 71 -2.360 11.146 4.439 1.00 0.33 C ATOM 1076 O PHE A 71 -2.381 10.717 3.278 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.402 11.738 5.900 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.617 11.005 5.300 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.724 11.723 4.838 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.671 9.608 5.231 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.836 11.074 4.324 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.793 8.958 4.718 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.869 9.695 4.267 1.00 0.67 C ATOM 0 H PHE A 71 -4.130 12.403 2.935 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.690 12.990 5.403 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.911 11.063 6.602 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.769 12.587 6.477 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.713 12.802 4.882 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.832 9.025 5.580 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.678 11.648 3.967 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -6.820 7.879 4.674 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.738 9.192 3.869 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.485 10.702 5.365 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.530 9.654 5.023 1.00 0.41 C ATOM 1095 C GLY A 72 0.304 9.082 6.163 1.00 0.33 C ATOM 1096 O GLY A 72 -0.074 9.128 7.338 1.00 0.47 O ATOM 0 H GLY A 72 -1.427 11.046 6.323 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -1.078 8.834 4.559 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.151 10.049 4.269 1.00 0.41 H new ATOM 1100 N TYR A 73 1.481 8.546 5.776 1.00 0.28 N ATOM 1101 CA TYR A 73 2.401 7.868 6.714 1.00 0.24 C ATOM 1102 C TYR A 73 3.864 8.376 6.644 1.00 0.21 C ATOM 1103 O TYR A 73 4.272 9.079 5.701 1.00 0.27 O ATOM 1104 CB TYR A 73 2.428 6.341 6.450 1.00 0.36 C ATOM 1105 CG TYR A 73 1.134 5.721 5.888 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.736 5.907 4.565 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.310 4.954 6.703 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.437 5.343 4.083 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.852 4.392 6.226 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.190 4.612 4.821 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.382 4.022 4.451 1.00 0.89 O ATOM 0 H TYR A 73 1.818 8.570 4.814 1.00 0.28 H new ATOM 0 HA TYR A 73 2.007 8.100 7.703 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.239 6.129 5.754 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.671 5.837 7.385 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.351 6.500 3.904 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.588 4.795 7.734 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.724 5.525 3.058 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.493 3.807 6.869 1.00 0.62 H new ATOM 0 HH TYR A 73 -3.069 4.225 5.120 1.00 0.89 H new ATOM 1121 N ASP A 74 4.656 7.941 7.655 1.00 0.17 N ATOM 1122 CA ASP A 74 6.088 8.305 7.804 1.00 0.16 C ATOM 1123 C ASP A 74 7.000 7.051 7.932 1.00 0.15 C ATOM 1124 O ASP A 74 6.706 6.131 8.705 1.00 0.24 O ATOM 1125 CB ASP A 74 6.282 9.185 9.061 1.00 0.21 C ATOM 1126 CG ASP A 74 6.034 10.674 8.829 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.109 11.009 8.059 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.766 11.499 9.416 1.00 0.40 O ATOM 0 H ASP A 74 4.318 7.325 8.394 1.00 0.17 H new ATOM 0 HA ASP A 74 6.374 8.851 6.905 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.609 8.834 9.843 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.299 9.051 9.431 1.00 0.21 H new ATOM 1133 N ILE A 75 8.120 7.044 7.172 1.00 0.10 N ATOM 1134 CA ILE A 75 9.107 5.932 7.188 1.00 0.09 C ATOM 1135 C ILE A 75 10.539 6.502 7.482 1.00 0.08 C ATOM 1136 O ILE A 75 11.175 7.030 6.569 1.00 0.12 O ATOM 1137 CB ILE A 75 9.132 5.105 5.815 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.725 4.665 5.365 1.00 0.13 C ATOM 1139 CG2 ILE A 75 10.001 3.810 5.881 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.133 5.475 4.237 1.00 0.15 C ATOM 0 H ILE A 75 8.366 7.801 6.534 1.00 0.10 H new ATOM 0 HA ILE A 75 8.801 5.243 7.975 1.00 0.09 H new ATOM 0 HB ILE A 75 9.568 5.807 5.104 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.769 3.620 5.058 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.053 4.718 6.222 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.971 3.302 4.917 1.00 0.14 H new ATOM 0 HG22 ILE A 75 11.031 4.075 6.120 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.609 3.147 6.652 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.143 5.089 3.992 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.051 6.518 4.542 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.777 5.403 3.361 1.00 0.15 H new ATOM 1152 N PRO A 76 11.068 6.409 8.742 1.00 0.09 N ATOM 1153 CA PRO A 76 12.435 6.883 9.061 1.00 0.10 C ATOM 1154 C PRO A 76 13.576 5.860 8.756 1.00 0.09 C ATOM 1155 O PRO A 76 13.618 4.769 9.333 1.00 0.11 O ATOM 1156 CB PRO A 76 12.328 7.198 10.554 1.00 0.14 C ATOM 1157 CG PRO A 76 11.375 6.155 11.084 1.00 0.15 C ATOM 1158 CD PRO A 76 10.380 5.895 9.956 1.00 0.12 C ATOM 0 HA PRO A 76 12.724 7.730 8.438 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.299 7.136 11.045 1.00 0.14 H new ATOM 0 HB3 PRO A 76 11.949 8.206 10.722 1.00 0.14 H new ATOM 0 HG2 PRO A 76 11.905 5.243 11.357 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.867 6.509 11.981 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.149 4.834 9.864 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.436 6.413 10.129 1.00 0.12 H new ATOM 1166 N ILE A 77 14.480 6.243 7.831 1.00 0.09 N ATOM 1167 CA ILE A 77 15.627 5.390 7.413 1.00 0.10 C ATOM 1168 C ILE A 77 16.984 6.161 7.528 1.00 0.13 C ATOM 1169 O ILE A 77 17.036 7.398 7.563 1.00 0.19 O ATOM 1170 CB ILE A 77 15.467 4.845 5.924 1.00 0.12 C ATOM 1171 CG1 ILE A 77 13.982 4.737 5.500 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.124 3.432 5.715 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.520 5.695 4.419 1.00 0.19 C ATOM 0 H ILE A 77 14.442 7.143 7.353 1.00 0.09 H new ATOM 0 HA ILE A 77 15.631 4.540 8.095 1.00 0.10 H new ATOM 0 HB ILE A 77 15.984 5.579 5.306 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.798 3.719 5.157 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.362 4.893 6.383 1.00 0.11 H new ATOM 0 HG21 ILE A 77 15.982 3.114 4.682 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.190 3.491 5.934 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.655 2.710 6.384 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.464 5.524 4.208 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.660 6.721 4.758 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.103 5.529 3.513 1.00 0.19 H new ATOM 1185 N LYS A 78 18.070 5.375 7.569 1.00 0.15 N ATOM 1186 CA LYS A 78 19.452 5.880 7.642 1.00 0.20 C ATOM 1187 C LYS A 78 20.449 4.925 6.918 1.00 0.21 C ATOM 1188 O LYS A 78 21.650 4.943 7.216 1.00 0.25 O ATOM 1189 CB LYS A 78 19.890 6.066 9.118 1.00 0.27 C ATOM 1190 CG LYS A 78 19.322 7.326 9.832 1.00 0.87 C ATOM 1191 CD LYS A 78 20.071 8.646 9.482 1.00 1.32 C ATOM 1192 CE LYS A 78 21.374 8.837 10.279 1.00 1.91 C ATOM 1193 NZ LYS A 78 22.052 10.112 9.915 1.00 2.53 N ATOM 0 H LYS A 78 18.014 4.357 7.552 1.00 0.15 H new ATOM 0 HA LYS A 78 19.471 6.845 7.136 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.588 5.183 9.682 1.00 0.27 H new ATOM 0 HB3 LYS A 78 20.979 6.110 9.153 1.00 0.27 H new ATOM 0 HG2 LYS A 78 18.270 7.437 9.569 1.00 0.87 H new ATOM 0 HG3 LYS A 78 19.366 7.171 10.910 1.00 0.87 H new ATOM 0 HD2 LYS A 78 20.301 8.654 8.417 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.410 9.492 9.672 1.00 1.32 H new ATOM 0 HE2 LYS A 78 21.153 8.832 11.346 1.00 1.91 H new ATOM 0 HE3 LYS A 78 22.045 7.999 10.089 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 22.926 10.211 10.469 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 22.284 10.105 8.901 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 21.420 10.912 10.120 1.00 2.53 H new ATOM 1207 N GLU A 79 19.952 4.097 5.955 1.00 0.19 N ATOM 1208 CA GLU A 79 20.793 3.155 5.204 1.00 0.22 C ATOM 1209 C GLU A 79 20.573 3.311 3.687 1.00 0.20 C ATOM 1210 O GLU A 79 19.533 3.819 3.238 1.00 0.18 O ATOM 1211 CB GLU A 79 20.484 1.716 5.656 1.00 0.24 C ATOM 1212 CG GLU A 79 21.034 1.362 7.048 1.00 0.55 C ATOM 1213 CD GLU A 79 20.546 0.017 7.547 1.00 1.17 C ATOM 1214 OE1 GLU A 79 19.464 -0.030 8.171 1.00 2.12 O ATOM 1215 OE2 GLU A 79 21.245 -0.992 7.316 1.00 1.03 O ATOM 0 H GLU A 79 18.967 4.073 5.690 1.00 0.19 H new ATOM 0 HA GLU A 79 21.841 3.375 5.410 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.404 1.571 5.657 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.898 1.021 4.926 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.123 1.358 7.013 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.741 2.136 7.757 1.00 0.55 H new ATOM 1222 N GLU A 80 21.551 2.853 2.892 1.00 0.26 N ATOM 1223 CA GLU A 80 21.475 2.993 1.430 1.00 0.25 C ATOM 1224 C GLU A 80 21.514 1.663 0.656 1.00 0.27 C ATOM 1225 O GLU A 80 22.202 0.704 1.029 1.00 0.32 O ATOM 1226 CB GLU A 80 22.614 3.901 0.936 1.00 0.27 C ATOM 1227 CG GLU A 80 22.497 5.391 1.333 1.00 0.28 C ATOM 1228 CD GLU A 80 23.564 5.804 2.331 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.710 6.059 1.904 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.253 5.872 3.538 1.00 0.42 O ATOM 0 H GLU A 80 22.394 2.388 3.231 1.00 0.26 H new ATOM 0 HA GLU A 80 20.499 3.433 1.227 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.557 3.513 1.321 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.662 3.835 -0.151 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.578 6.011 0.440 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.511 5.575 1.760 1.00 0.28 H new ATOM 1237 N GLY A 81 20.757 1.661 -0.447 1.00 0.22 N ATOM 1238 CA GLY A 81 20.662 0.509 -1.345 1.00 0.23 C ATOM 1239 C GLY A 81 19.442 0.585 -2.263 1.00 0.19 C ATOM 1240 O GLY A 81 19.147 1.662 -2.801 1.00 0.18 O ATOM 0 H GLY A 81 20.194 2.459 -0.741 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.566 0.449 -1.951 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.612 -0.406 -0.754 1.00 0.23 H new ATOM 1244 N GLU A 82 18.724 -0.551 -2.486 1.00 0.20 N ATOM 1245 CA GLU A 82 17.522 -0.506 -3.335 1.00 0.17 C ATOM 1246 C GLU A 82 16.249 -0.796 -2.518 1.00 0.18 C ATOM 1247 O GLU A 82 15.957 -1.937 -2.181 1.00 0.30 O ATOM 1248 CB GLU A 82 17.641 -1.499 -4.503 1.00 0.19 C ATOM 1249 CG GLU A 82 18.696 -1.153 -5.568 1.00 0.26 C ATOM 1250 CD GLU A 82 18.429 -1.841 -6.894 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.422 -1.496 -7.549 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.224 -2.725 -7.276 1.00 1.75 O ATOM 0 H GLU A 82 18.952 -1.469 -2.103 1.00 0.20 H new ATOM 0 HA GLU A 82 17.444 0.503 -3.740 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.871 -2.484 -4.096 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.670 -1.575 -4.992 1.00 0.19 H new ATOM 0 HG2 GLU A 82 18.715 -0.074 -5.719 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.683 -1.441 -5.205 1.00 0.26 H new ATOM 1259 N TYR A 83 15.461 0.261 -2.243 1.00 0.08 N ATOM 1260 CA TYR A 83 14.220 0.130 -1.451 1.00 0.08 C ATOM 1261 C TYR A 83 12.994 0.067 -2.364 1.00 0.08 C ATOM 1262 O TYR A 83 12.809 0.908 -3.233 1.00 0.12 O ATOM 1263 CB TYR A 83 14.078 1.281 -0.441 1.00 0.10 C ATOM 1264 CG TYR A 83 15.108 1.240 0.696 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.403 1.734 0.527 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.776 0.722 1.948 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.319 1.704 1.559 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.689 0.699 2.981 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.001 1.141 2.740 1.00 0.16 C ATOM 1270 OH TYR A 83 17.867 1.175 3.810 1.00 0.21 O ATOM 0 H TYR A 83 15.659 1.212 -2.555 1.00 0.08 H new ATOM 0 HA TYR A 83 14.283 -0.804 -0.893 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.173 2.229 -0.970 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.076 1.254 -0.012 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.693 2.147 -0.428 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.783 0.331 2.112 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.299 2.136 1.418 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.400 0.347 3.960 1.00 0.19 H new ATOM 0 HH TYR A 83 17.460 0.717 4.575 1.00 0.21 H new ATOM 1280 N VAL A 84 12.159 -0.952 -2.152 1.00 0.08 N ATOM 1281 CA VAL A 84 10.962 -1.181 -3.009 1.00 0.10 C ATOM 1282 C VAL A 84 9.662 -0.967 -2.194 1.00 0.10 C ATOM 1283 O VAL A 84 9.435 -1.613 -1.162 1.00 0.10 O ATOM 1284 CB VAL A 84 10.945 -2.630 -3.737 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.083 -2.645 -5.031 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.344 -3.162 -4.130 1.00 0.20 C ATOM 0 H VAL A 84 12.276 -1.635 -1.404 1.00 0.08 H new ATOM 0 HA VAL A 84 11.019 -0.443 -3.809 1.00 0.10 H new ATOM 0 HB VAL A 84 10.513 -3.277 -2.973 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.109 -3.640 -5.474 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.054 -2.384 -4.785 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.481 -1.921 -5.742 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.241 -4.135 -4.611 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.818 -2.464 -4.820 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.960 -3.262 -3.236 1.00 0.20 H new ATOM 1296 N LEU A 85 8.811 -0.051 -2.707 1.00 0.12 N ATOM 1297 CA LEU A 85 7.522 0.255 -2.081 1.00 0.15 C ATOM 1298 C LEU A 85 6.364 -0.314 -2.928 1.00 0.16 C ATOM 1299 O LEU A 85 6.060 0.169 -4.028 1.00 0.21 O ATOM 1300 CB LEU A 85 7.397 1.788 -1.854 1.00 0.25 C ATOM 1301 CG LEU A 85 6.297 2.294 -0.857 1.00 0.43 C ATOM 1302 CD1 LEU A 85 6.823 3.418 0.032 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.052 2.797 -1.583 1.00 0.61 C ATOM 0 H LEU A 85 9.001 0.485 -3.554 1.00 0.12 H new ATOM 0 HA LEU A 85 7.464 -0.226 -1.104 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.362 2.154 -1.502 1.00 0.25 H new ATOM 0 HB3 LEU A 85 7.213 2.256 -2.821 1.00 0.25 H new ATOM 0 HG LEU A 85 6.030 1.433 -0.244 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.035 3.745 0.710 1.00 0.78 H new ATOM 0 HD12 LEU A 85 7.673 3.057 0.611 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.137 4.257 -0.589 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.318 3.137 -0.853 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.323 3.625 -2.238 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.626 1.989 -2.177 1.00 0.61 H new ATOM 1315 N VAL A 86 5.762 -1.386 -2.382 1.00 0.17 N ATOM 1316 CA VAL A 86 4.619 -2.104 -3.008 1.00 0.21 C ATOM 1317 C VAL A 86 3.385 -1.940 -2.081 1.00 0.21 C ATOM 1318 O VAL A 86 3.441 -2.259 -0.886 1.00 0.27 O ATOM 1319 CB VAL A 86 4.857 -3.682 -3.283 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.012 -4.210 -4.477 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.333 -4.091 -3.538 1.00 0.32 C ATOM 0 H VAL A 86 6.051 -1.787 -1.489 1.00 0.17 H new ATOM 0 HA VAL A 86 4.480 -1.656 -3.992 1.00 0.21 H new ATOM 0 HB VAL A 86 4.537 -4.139 -2.346 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.208 -5.273 -4.620 1.00 0.44 H new ATOM 0 HG12 VAL A 86 2.953 -4.061 -4.267 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.282 -3.667 -5.382 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.388 -5.166 -3.711 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.711 -3.562 -4.413 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.938 -3.832 -2.669 1.00 0.32 H new ATOM 1331 N LEU A 87 2.285 -1.447 -2.652 1.00 0.20 N ATOM 1332 CA LEU A 87 1.051 -1.250 -1.875 1.00 0.22 C ATOM 1333 C LEU A 87 -0.196 -1.741 -2.627 1.00 0.22 C ATOM 1334 O LEU A 87 -0.324 -1.553 -3.851 1.00 0.26 O ATOM 1335 CB LEU A 87 0.911 0.237 -1.400 1.00 0.31 C ATOM 1336 CG LEU A 87 0.455 1.331 -2.417 1.00 0.50 C ATOM 1337 CD1 LEU A 87 -0.075 2.553 -1.668 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.582 1.787 -3.345 1.00 0.88 C ATOM 0 H LEU A 87 2.218 -1.179 -3.634 1.00 0.20 H new ATOM 0 HA LEU A 87 1.129 -1.870 -0.982 1.00 0.22 H new ATOM 0 HB2 LEU A 87 0.205 0.249 -0.569 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.878 0.545 -1.001 1.00 0.31 H new ATOM 0 HG LEU A 87 -0.325 0.877 -3.028 1.00 0.50 H new ATOM 0 HD11 LEU A 87 -0.391 3.311 -2.385 1.00 1.25 H new ATOM 0 HD12 LEU A 87 -0.925 2.261 -1.051 1.00 1.25 H new ATOM 0 HD13 LEU A 87 0.712 2.960 -1.033 1.00 1.25 H new ATOM 0 HD21 LEU A 87 1.205 2.547 -4.029 1.00 0.88 H new ATOM 0 HD22 LEU A 87 2.396 2.204 -2.752 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.950 0.935 -3.917 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.125 -2.379 -1.871 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.381 -2.911 -2.460 1.00 0.26 C ATOM 1352 C LYS A 88 -3.558 -1.936 -2.324 1.00 0.27 C ATOM 1353 O LYS A 88 -3.955 -1.557 -1.218 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.781 -4.252 -1.802 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.284 -5.362 -2.759 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.106 -6.080 -3.471 1.00 1.53 C ATOM 1357 CE LYS A 88 -2.562 -7.178 -4.437 1.00 2.13 C ATOM 1358 NZ LYS A 88 -1.409 -7.944 -4.984 1.00 2.52 N ATOM 0 H LYS A 88 -1.031 -2.536 -0.868 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.171 -3.058 -3.519 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.919 -4.636 -1.256 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.562 -4.054 -1.068 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.868 -6.090 -2.197 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.949 -4.926 -3.504 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -1.519 -5.344 -4.020 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.448 -6.517 -2.720 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -3.239 -7.859 -3.921 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -3.124 -6.731 -5.257 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -1.660 -8.331 -5.916 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -0.588 -7.313 -5.081 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -1.172 -8.724 -4.338 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.114 -1.553 -3.481 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.274 -0.656 -3.536 1.00 0.29 C ATOM 1374 C PHE A 89 -6.533 -1.448 -3.934 1.00 0.31 C ATOM 1375 O PHE A 89 -6.520 -2.227 -4.891 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.050 0.458 -4.579 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.483 1.765 -4.039 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -5.180 2.555 -3.111 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.225 2.194 -4.453 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.625 3.719 -2.628 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.676 3.362 -3.969 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.512 4.183 -3.050 1.00 0.31 C ATOM 0 H PHE A 89 -3.776 -1.853 -4.396 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.404 -0.212 -2.549 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.375 0.081 -5.347 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.001 0.670 -5.067 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -6.159 2.248 -2.773 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.670 1.602 -5.165 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -5.153 4.263 -1.859 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.678 3.670 -4.246 1.00 0.26 H new ATOM 0 HZ PHE A 89 -3.180 5.164 -2.742 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.633 -1.228 -3.192 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.920 -1.932 -3.448 1.00 0.36 C ATOM 1394 C ALA A 90 -10.132 -0.954 -3.352 1.00 0.39 C ATOM 1395 O ALA A 90 -10.099 0.060 -2.602 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.102 -3.158 -2.495 1.00 0.41 C ATOM 0 H ALA A 90 -7.665 -0.572 -2.411 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.885 -2.314 -4.468 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.052 -3.648 -2.710 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.286 -3.864 -2.650 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.095 -2.818 -1.459 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.194 -1.270 -4.140 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.436 -0.477 -4.195 1.00 0.53 C ATOM 1404 C GLU A 91 -13.663 -1.299 -3.744 1.00 0.63 C ATOM 1405 O GLU A 91 -13.791 -2.490 -4.057 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.659 0.030 -5.634 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.526 1.294 -5.757 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.813 1.656 -7.201 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.806 1.142 -7.757 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.042 2.452 -7.777 1.00 2.61 O ATOM 0 H GLU A 91 -11.206 -2.085 -4.753 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.326 0.364 -3.510 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.688 0.230 -6.086 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -13.123 -0.767 -6.215 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.467 1.139 -5.230 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.021 2.128 -5.269 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.575 -0.631 -3.022 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.820 -1.274 -2.500 1.00 0.76 C ATOM 1419 C VAL A 92 -17.107 -0.461 -2.847 1.00 0.66 C ATOM 1420 O VAL A 92 -18.104 -1.042 -3.282 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.815 -1.631 -0.930 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.278 -3.056 -0.681 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.029 -0.639 -0.015 1.00 2.00 C ATOM 0 H VAL A 92 -14.486 0.356 -2.779 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.835 -2.227 -3.028 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.865 -1.549 -0.648 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.287 -3.267 0.388 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.909 -3.778 -1.199 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.258 -3.131 -1.057 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -15.090 -0.973 1.021 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.985 -0.608 -0.325 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -15.463 0.357 -0.101 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.065 0.875 -2.647 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.213 1.760 -2.927 1.00 0.80 C ATOM 1435 C TYR A 93 -17.867 2.851 -3.963 1.00 0.86 C ATOM 1436 O TYR A 93 -16.781 3.442 -3.923 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.688 2.420 -1.619 1.00 1.23 C ATOM 1438 CG TYR A 93 -20.213 2.448 -1.430 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -20.885 1.385 -0.812 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -20.982 3.533 -1.869 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -22.259 1.408 -0.641 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -22.358 3.552 -1.697 1.00 1.43 C ATOM 1443 CZ TYR A 93 -22.986 2.490 -1.083 1.00 1.67 C ATOM 1444 OH TYR A 93 -24.351 2.512 -0.912 1.00 2.27 O ATOM 0 H TYR A 93 -16.244 1.364 -2.291 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.008 1.145 -3.349 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -18.241 1.890 -0.778 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.313 3.443 -1.587 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.321 0.533 -0.463 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.495 4.369 -2.350 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -22.759 0.579 -0.162 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -22.936 4.396 -2.043 1.00 1.43 H new ATOM 0 HH TYR A 93 -24.713 3.346 -1.278 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.827 3.091 -4.905 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.752 4.099 -6.016 1.00 0.82 C ATOM 1456 C PHE A 94 -18.119 3.495 -7.281 1.00 0.76 C ATOM 1457 O PHE A 94 -16.900 3.304 -7.350 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.019 5.422 -5.636 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.636 6.194 -4.465 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -19.893 6.805 -4.575 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -17.958 6.306 -3.251 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -20.443 7.499 -3.511 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -18.511 7.003 -2.186 1.00 1.23 C ATOM 1464 CZ PHE A 94 -19.776 7.607 -2.333 1.00 1.37 C ATOM 0 H PHE A 94 -19.705 2.572 -4.915 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.789 4.368 -6.217 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.983 5.188 -5.391 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.000 6.073 -6.510 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -20.440 6.733 -5.503 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.989 5.844 -3.138 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -21.414 7.960 -3.619 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -17.976 7.082 -1.251 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.214 8.154 -1.511 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.976 3.196 -8.292 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.527 2.596 -9.572 1.00 0.73 C ATOM 1476 C ALA A 95 -18.330 3.676 -10.686 1.00 0.72 C ATOM 1477 O ALA A 95 -19.239 4.033 -11.462 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.493 1.458 -10.001 1.00 0.82 C ATOM 0 H ALA A 95 -19.981 3.361 -8.243 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.544 2.150 -9.418 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.152 1.026 -10.942 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.509 0.685 -9.232 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.497 1.862 -10.130 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.110 4.233 -10.688 1.00 0.65 N ATOM 1485 CA GLN A 96 -16.694 5.266 -11.661 1.00 0.66 C ATOM 1486 C GLN A 96 -15.199 5.140 -12.024 1.00 0.58 C ATOM 1487 O GLN A 96 -14.393 4.600 -11.252 1.00 0.53 O ATOM 1488 CB GLN A 96 -16.980 6.677 -11.104 1.00 0.72 C ATOM 1489 CG GLN A 96 -18.369 7.240 -11.459 1.00 1.40 C ATOM 1490 CD GLN A 96 -18.616 8.634 -10.899 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -19.307 9.443 -11.517 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -18.067 8.920 -9.723 1.00 2.45 N ATOM 0 H GLN A 96 -16.382 3.984 -10.019 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.276 5.111 -12.569 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -16.880 6.652 -10.019 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.219 7.362 -11.478 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.476 7.268 -12.543 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -19.135 6.563 -11.081 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -17.500 8.222 -9.241 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -18.212 9.838 -9.302 1.00 2.45 H new ATOM 1501 N SER A 97 -14.825 5.684 -13.201 1.00 0.64 N ATOM 1502 CA SER A 97 -13.437 5.604 -13.697 1.00 0.62 C ATOM 1503 C SER A 97 -12.727 6.970 -13.803 1.00 0.81 C ATOM 1504 O SER A 97 -11.874 7.277 -12.968 1.00 1.66 O ATOM 1505 CB SER A 97 -13.408 4.877 -15.049 1.00 0.68 C ATOM 1506 OG SER A 97 -13.434 3.470 -14.878 1.00 0.73 O ATOM 0 H SER A 97 -15.463 6.181 -13.823 1.00 0.64 H new ATOM 0 HA SER A 97 -12.877 5.038 -12.952 1.00 0.62 H new ATOM 0 HB2 SER A 97 -14.262 5.188 -15.650 1.00 0.68 H new ATOM 0 HB3 SER A 97 -12.511 5.162 -15.598 1.00 0.68 H new ATOM 0 HG SER A 97 -12.873 3.047 -15.561 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.078 7.796 -14.820 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.446 9.132 -15.008 1.00 0.54 C ATOM 1514 C GLN A 98 -13.333 10.278 -14.445 1.00 0.56 C ATOM 1515 O GLN A 98 -13.819 11.153 -15.171 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.136 9.372 -16.501 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.103 8.409 -17.103 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.809 8.712 -18.558 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -11.463 8.189 -19.460 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.817 9.564 -18.795 1.00 1.60 N ATOM 0 H GLN A 98 -13.787 7.567 -15.517 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.513 9.137 -14.445 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.063 9.290 -17.069 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -11.776 10.393 -16.624 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -10.178 8.467 -16.529 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.469 7.386 -17.015 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.301 9.975 -18.017 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -9.572 9.807 -19.755 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.512 10.221 -13.120 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.302 11.175 -12.319 1.00 0.58 C ATOM 1531 C GLN A 99 -13.731 11.224 -10.889 1.00 0.57 C ATOM 1532 O GLN A 99 -13.617 12.299 -10.296 1.00 0.62 O ATOM 1533 CB GLN A 99 -15.797 10.784 -12.276 1.00 0.61 C ATOM 1534 CG GLN A 99 -16.625 11.211 -13.510 1.00 1.18 C ATOM 1535 CD GLN A 99 -16.989 12.693 -13.516 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -16.244 13.539 -13.018 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.147 13.012 -14.084 1.00 2.02 N ATOM 0 H GLN A 99 -13.097 9.483 -12.551 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.233 12.157 -12.786 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -15.870 9.702 -12.166 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.246 11.226 -11.386 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.061 10.980 -14.414 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.540 10.620 -13.546 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.736 12.283 -14.485 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -18.447 13.986 -14.119 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.374 10.026 -10.340 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.748 9.899 -9.015 1.00 0.55 C ATOM 1548 C LYS A 100 -11.259 9.506 -9.192 1.00 0.48 C ATOM 1549 O LYS A 100 -10.868 8.342 -9.049 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.509 8.881 -8.118 1.00 0.64 C ATOM 1551 CG LYS A 100 -13.781 7.504 -8.780 1.00 1.11 C ATOM 1552 CD LYS A 100 -14.489 6.492 -7.835 1.00 1.52 C ATOM 1553 CE LYS A 100 -13.532 5.814 -6.834 1.00 2.14 C ATOM 1554 NZ LYS A 100 -14.249 4.831 -5.977 1.00 2.76 N ATOM 0 H LYS A 100 -13.517 9.133 -10.812 1.00 0.53 H new ATOM 0 HA LYS A 100 -12.802 10.860 -8.503 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -12.934 8.722 -7.206 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -14.462 9.320 -7.822 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -14.396 7.651 -9.668 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -12.835 7.077 -9.114 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.273 7.010 -7.283 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -14.976 5.725 -8.437 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -12.732 5.310 -7.377 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -13.063 6.572 -6.207 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -13.559 4.206 -5.513 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -14.799 5.337 -5.254 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -14.891 4.262 -6.564 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.446 10.527 -9.513 1.00 0.45 N ATOM 1569 CA VAL A 101 -8.986 10.376 -9.772 1.00 0.40 C ATOM 1570 C VAL A 101 -8.159 11.006 -8.622 1.00 0.41 C ATOM 1571 O VAL A 101 -8.256 12.206 -8.338 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.500 10.913 -11.207 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.474 9.772 -12.243 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.325 12.088 -11.809 1.00 0.68 C ATOM 0 H VAL A 101 -10.775 11.488 -9.603 1.00 0.45 H new ATOM 0 HA VAL A 101 -8.803 9.302 -9.801 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.503 11.304 -11.004 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.142 10.162 -13.205 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -7.787 8.994 -11.910 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.475 9.352 -12.347 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -8.908 12.367 -12.776 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.362 11.777 -11.937 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.284 12.944 -11.135 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.335 10.154 -7.991 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.519 10.524 -6.805 1.00 0.40 C ATOM 1586 C PHE A 102 -5.033 10.810 -7.090 1.00 0.38 C ATOM 1587 O PHE A 102 -4.551 10.575 -8.175 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.590 9.348 -5.833 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.013 9.002 -5.376 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -8.802 9.945 -4.717 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.577 7.747 -5.645 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.102 9.648 -4.340 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -9.875 7.452 -5.260 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.637 8.403 -4.610 1.00 0.69 C ATOM 0 H PHE A 102 -7.210 9.185 -8.283 1.00 0.39 H new ATOM 0 HA PHE A 102 -6.932 11.455 -6.418 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.148 8.471 -6.306 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -5.983 9.577 -4.957 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.394 10.921 -4.497 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -7.991 7.000 -6.160 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.699 10.392 -3.834 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.291 6.477 -5.468 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.650 8.174 -4.313 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.303 11.335 -6.079 1.00 0.36 N ATOM 1605 CA ASP A 103 -2.848 11.600 -6.243 1.00 0.34 C ATOM 1606 C ASP A 103 -2.028 10.864 -5.170 1.00 0.32 C ATOM 1607 O ASP A 103 -2.382 10.862 -3.989 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.495 13.101 -6.217 1.00 0.37 C ATOM 1609 CG ASP A 103 -2.875 13.866 -7.486 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.059 13.816 -7.878 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -1.983 14.501 -8.087 1.00 1.33 O ATOM 0 H ASP A 103 -4.681 11.579 -5.164 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.589 11.220 -7.232 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -2.995 13.564 -5.366 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.423 13.206 -6.053 1.00 0.37 H new ATOM 1616 N VAL A 104 -0.911 10.256 -5.602 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.032 9.461 -4.710 1.00 0.28 C ATOM 1618 C VAL A 104 1.467 9.957 -4.848 1.00 0.26 C ATOM 1619 O VAL A 104 2.047 9.962 -5.957 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.318 7.880 -4.975 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.857 6.917 -4.734 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.467 7.376 -4.089 1.00 0.48 C ATOM 0 H VAL A 104 -0.589 10.297 -6.569 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.252 9.612 -3.653 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.546 7.860 -6.041 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.540 5.896 -4.945 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.685 7.182 -5.391 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.180 6.990 -3.695 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.639 6.318 -4.284 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.205 7.514 -3.040 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.373 7.939 -4.313 1.00 0.48 H new ATOM 1632 N ARG A 105 2.071 10.307 -3.674 1.00 0.26 N ATOM 1633 CA ARG A 105 3.452 10.867 -3.594 1.00 0.26 C ATOM 1634 C ARG A 105 4.432 10.113 -2.644 1.00 0.23 C ATOM 1635 O ARG A 105 4.015 9.534 -1.631 1.00 0.26 O ATOM 1636 CB ARG A 105 3.372 12.319 -3.073 1.00 0.33 C ATOM 1637 CG ARG A 105 2.330 13.214 -3.768 1.00 0.53 C ATOM 1638 CD ARG A 105 2.380 14.667 -3.272 1.00 0.51 C ATOM 1639 NE ARG A 105 1.170 15.385 -3.643 1.00 0.92 N ATOM 1640 CZ ARG A 105 1.122 16.692 -3.920 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.205 17.449 -3.806 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.021 17.244 -4.301 1.00 1.69 N ATOM 0 H ARG A 105 1.618 10.209 -2.765 1.00 0.26 H new ATOM 0 HA ARG A 105 3.847 10.775 -4.606 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.149 12.292 -2.006 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.353 12.781 -3.182 1.00 0.33 H new ATOM 0 HG2 ARG A 105 2.499 13.195 -4.845 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.333 12.808 -3.595 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.498 14.682 -2.189 1.00 0.51 H new ATOM 0 HD3 ARG A 105 3.250 15.170 -3.695 1.00 0.51 H new ATOM 0 HE ARG A 105 0.300 14.855 -3.695 1.00 0.92 H new ATOM 0 HH11 ARG A 105 3.087 17.035 -3.504 1.00 1.15 H new ATOM 0 HH12 ARG A 105 2.156 18.445 -4.020 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -0.862 16.672 -4.382 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.060 18.241 -4.513 1.00 1.69 H new ATOM 1656 N VAL A 106 5.761 10.178 -2.981 1.00 0.23 N ATOM 1657 CA VAL A 106 6.858 9.563 -2.145 1.00 0.23 C ATOM 1658 C VAL A 106 8.002 10.589 -1.799 1.00 0.22 C ATOM 1659 O VAL A 106 8.762 11.009 -2.675 1.00 0.23 O ATOM 1660 CB VAL A 106 7.497 8.195 -2.704 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.602 6.975 -2.402 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.859 8.192 -4.216 1.00 0.60 C ATOM 0 H VAL A 106 6.101 10.647 -3.821 1.00 0.23 H new ATOM 0 HA VAL A 106 6.328 9.284 -1.235 1.00 0.23 H new ATOM 0 HB VAL A 106 8.439 8.123 -2.160 1.00 0.29 H new ATOM 0 HG11 VAL A 106 7.071 6.073 -2.796 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.474 6.876 -1.324 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.628 7.113 -2.872 1.00 0.57 H new ATOM 0 HG21 VAL A 106 8.281 7.224 -4.487 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.960 8.374 -4.806 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.589 8.976 -4.417 1.00 0.60 H new ATOM 1672 N ASN A 107 8.096 10.975 -0.480 1.00 0.23 N ATOM 1673 CA ASN A 107 9.093 11.969 0.110 1.00 0.23 C ATOM 1674 C ASN A 107 8.926 13.427 -0.424 1.00 0.24 C ATOM 1675 O ASN A 107 9.885 14.211 -0.431 1.00 0.25 O ATOM 1676 CB ASN A 107 10.561 11.518 -0.110 1.00 0.23 C ATOM 1677 CG ASN A 107 11.409 11.515 1.152 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.254 10.642 1.346 1.00 1.05 O ATOM 1679 ND2 ASN A 107 11.210 12.518 1.998 1.00 1.12 N ATOM 0 H ASN A 107 7.467 10.598 0.229 1.00 0.23 H new ATOM 0 HA ASN A 107 8.865 11.979 1.176 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.561 10.515 -0.536 1.00 0.23 H new ATOM 0 HB3 ASN A 107 11.025 12.176 -0.844 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.769 12.586 2.848 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.498 13.221 1.798 1.00 1.12 H new ATOM 1686 N GLY A 108 7.699 13.775 -0.851 1.00 0.25 N ATOM 1687 CA GLY A 108 7.439 15.085 -1.432 1.00 0.29 C ATOM 1688 C GLY A 108 7.330 15.074 -2.980 1.00 0.29 C ATOM 1689 O GLY A 108 6.898 16.055 -3.590 1.00 0.32 O ATOM 0 H GLY A 108 6.883 13.165 -0.801 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.513 15.480 -1.015 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.237 15.767 -1.138 1.00 0.29 H new ATOM 1693 N HIS A 109 7.735 13.928 -3.589 1.00 0.27 N ATOM 1694 CA HIS A 109 7.750 13.679 -5.041 1.00 0.28 C ATOM 1695 C HIS A 109 6.427 13.073 -5.578 1.00 0.30 C ATOM 1696 O HIS A 109 5.614 12.583 -4.809 1.00 0.57 O ATOM 1697 CB HIS A 109 8.873 12.667 -5.287 1.00 0.29 C ATOM 1698 CG HIS A 109 10.264 13.215 -5.136 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.880 13.987 -6.098 1.00 0.43 N ATOM 1700 CD2 HIS A 109 11.157 13.101 -4.118 1.00 0.27 C ATOM 1701 CE1 HIS A 109 12.089 14.323 -5.682 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.280 13.800 -4.484 1.00 0.36 N ATOM 0 H HIS A 109 8.071 13.127 -3.055 1.00 0.27 H new ATOM 0 HA HIS A 109 7.890 14.629 -5.556 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.749 11.834 -4.595 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.765 12.264 -6.294 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.467 14.257 -6.991 1.00 0.43 H new ATOM 0 HD2 HIS A 109 11.010 12.561 -3.194 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.800 14.924 -6.229 1.00 0.46 H new ATOM 1711 N THR A 110 6.224 13.099 -6.909 1.00 0.31 N ATOM 1712 CA THR A 110 5.000 12.504 -7.514 1.00 0.32 C ATOM 1713 C THR A 110 5.322 11.273 -8.370 1.00 0.35 C ATOM 1714 O THR A 110 6.252 11.279 -9.188 1.00 0.47 O ATOM 1715 CB THR A 110 4.121 13.478 -8.371 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.880 14.585 -8.895 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.915 14.003 -7.582 1.00 0.47 C ATOM 0 H THR A 110 6.871 13.514 -7.580 1.00 0.31 H new ATOM 0 HA THR A 110 4.410 12.231 -6.639 1.00 0.32 H new ATOM 0 HB THR A 110 3.757 12.888 -9.212 1.00 0.43 H new ATOM 0 HG1 THR A 110 4.344 15.404 -8.841 1.00 0.55 H new ATOM 0 HG21 THR A 110 2.332 14.675 -8.212 1.00 0.47 H new ATOM 0 HG22 THR A 110 2.291 13.165 -7.270 1.00 0.47 H new ATOM 0 HG23 THR A 110 3.263 14.543 -6.702 1.00 0.47 H new ATOM 1725 N VAL A 111 4.513 10.225 -8.177 1.00 0.29 N ATOM 1726 CA VAL A 111 4.700 8.940 -8.899 1.00 0.35 C ATOM 1727 C VAL A 111 3.412 8.468 -9.632 1.00 0.35 C ATOM 1728 O VAL A 111 3.437 8.287 -10.854 1.00 0.39 O ATOM 1729 CB VAL A 111 5.316 7.759 -8.011 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.857 7.831 -7.993 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.795 7.667 -6.542 1.00 1.00 C ATOM 0 H VAL A 111 3.723 10.231 -7.532 1.00 0.29 H new ATOM 0 HA VAL A 111 5.453 9.173 -9.652 1.00 0.35 H new ATOM 0 HB VAL A 111 4.966 6.854 -8.507 1.00 0.38 H new ATOM 0 HG11 VAL A 111 7.252 7.018 -7.383 1.00 1.06 H new ATOM 0 HG12 VAL A 111 7.237 7.739 -9.010 1.00 1.06 H new ATOM 0 HG13 VAL A 111 7.172 8.786 -7.573 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.280 6.832 -6.036 1.00 1.00 H new ATOM 0 HG22 VAL A 111 5.025 8.593 -6.016 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.716 7.511 -6.548 1.00 1.00 H new ATOM 1741 N VAL A 112 2.298 8.268 -8.886 1.00 0.33 N ATOM 1742 CA VAL A 112 1.011 7.837 -9.508 1.00 0.35 C ATOM 1743 C VAL A 112 -0.033 8.943 -9.251 1.00 0.34 C ATOM 1744 O VAL A 112 -0.773 8.906 -8.264 1.00 0.32 O ATOM 1745 CB VAL A 112 0.413 6.402 -9.048 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.179 5.625 -10.250 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.413 5.458 -8.339 1.00 0.40 C ATOM 0 H VAL A 112 2.258 8.393 -7.875 1.00 0.33 H new ATOM 0 HA VAL A 112 1.235 7.690 -10.565 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.352 6.676 -8.321 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -0.571 4.668 -9.907 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -0.984 6.207 -10.699 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.601 5.453 -10.992 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.910 4.528 -8.074 1.00 0.40 H new ATOM 0 HG22 VAL A 112 2.247 5.243 -9.008 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.788 5.938 -7.435 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.082 9.917 -10.183 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.017 11.034 -10.096 1.00 0.38 C ATOM 1759 C LYS A 113 -2.143 10.916 -11.132 1.00 0.43 C ATOM 1760 O LYS A 113 -1.995 11.201 -12.325 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.294 12.398 -10.177 1.00 0.42 C ATOM 1762 CG LYS A 113 0.508 12.656 -11.488 1.00 1.12 C ATOM 1763 CD LYS A 113 0.352 14.105 -12.011 1.00 1.27 C ATOM 1764 CE LYS A 113 0.979 15.147 -11.070 1.00 1.50 C ATOM 1765 NZ LYS A 113 2.447 14.945 -10.923 1.00 2.30 N ATOM 0 H LYS A 113 0.522 9.943 -11.004 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.485 10.984 -9.113 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.035 13.189 -10.063 1.00 0.42 H new ATOM 0 HB3 LYS A 113 0.390 12.478 -9.332 1.00 0.42 H new ATOM 0 HG2 LYS A 113 1.563 12.451 -11.309 1.00 1.12 H new ATOM 0 HG3 LYS A 113 0.173 11.959 -12.256 1.00 1.12 H new ATOM 0 HD2 LYS A 113 0.816 14.184 -12.994 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -0.707 14.328 -12.139 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.786 16.148 -11.456 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.504 15.086 -10.091 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 2.840 15.686 -10.308 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 2.628 14.012 -10.500 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 2.900 14.995 -11.858 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.253 10.439 -10.572 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.577 10.146 -11.193 1.00 0.42 C ATOM 1781 C ASP A 114 -4.846 8.645 -11.049 1.00 0.38 C ATOM 1782 O ASP A 114 -4.767 7.881 -12.020 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.782 10.597 -12.670 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.240 12.049 -12.806 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.529 12.944 -12.305 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.307 12.283 -13.410 1.00 2.48 O ATOM 0 H ASP A 114 -3.267 10.221 -9.576 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.297 10.759 -10.650 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -3.847 10.467 -13.214 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.519 9.946 -13.141 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.157 8.228 -9.794 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.415 6.824 -9.479 1.00 0.36 C ATOM 1793 C LEU A 115 -6.902 6.477 -9.507 1.00 0.38 C ATOM 1794 O LEU A 115 -7.683 6.868 -8.630 1.00 0.42 O ATOM 1795 CB LEU A 115 -4.799 6.396 -8.128 1.00 0.38 C ATOM 1796 CG LEU A 115 -3.783 5.202 -8.167 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -2.988 5.121 -6.893 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.435 3.840 -8.426 1.00 1.06 C ATOM 0 H LEU A 115 -5.232 8.855 -8.993 1.00 0.36 H new ATOM 0 HA LEU A 115 -4.922 6.260 -10.271 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.294 7.259 -7.695 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.612 6.130 -7.452 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.129 5.420 -9.011 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.293 4.284 -6.951 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.430 6.047 -6.753 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -3.664 4.974 -6.051 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.668 3.066 -8.438 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.155 3.625 -7.636 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -4.947 3.859 -9.388 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.252 5.785 -10.592 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.598 5.254 -10.832 1.00 0.43 C ATOM 1812 C ASP A 116 -8.521 3.708 -10.765 1.00 0.42 C ATOM 1813 O ASP A 116 -8.128 3.048 -11.736 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.244 5.757 -12.189 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.310 5.888 -13.420 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.510 4.960 -13.660 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -8.391 6.918 -14.121 1.00 1.83 O ATOM 0 H ASP A 116 -6.596 5.573 -11.344 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.265 5.634 -10.058 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.052 5.074 -12.451 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.697 6.731 -12.005 1.00 0.46 H new ATOM 1822 N ILE A 117 -8.908 3.138 -9.593 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.844 1.659 -9.327 1.00 0.42 C ATOM 1824 C ILE A 117 -9.876 0.806 -10.178 1.00 0.44 C ATOM 1825 O ILE A 117 -9.623 -0.374 -10.451 1.00 0.44 O ATOM 1826 CB ILE A 117 -8.990 1.314 -7.777 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.663 2.530 -6.852 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.089 0.112 -7.360 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.869 3.146 -6.144 1.00 0.68 C ATOM 0 H ILE A 117 -9.271 3.677 -8.807 1.00 0.42 H new ATOM 0 HA ILE A 117 -7.847 1.368 -9.656 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.038 1.047 -7.643 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.943 2.211 -6.099 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.178 3.302 -7.450 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.220 -0.089 -6.297 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.372 -0.771 -7.933 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.045 0.354 -7.558 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.540 3.982 -5.526 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.584 3.502 -6.886 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.344 2.394 -5.514 1.00 0.68 H new ATOM 1841 N PHE A 118 -10.993 1.447 -10.633 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.037 0.806 -11.484 1.00 0.51 C ATOM 1843 C PHE A 118 -11.563 0.642 -12.970 1.00 0.53 C ATOM 1844 O PHE A 118 -11.796 -0.397 -13.587 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.328 1.648 -11.421 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.587 0.938 -11.923 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.283 0.037 -11.111 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.071 1.176 -13.207 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.421 -0.602 -11.571 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.211 0.538 -13.668 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.886 -0.366 -12.828 1.00 0.77 C ATOM 0 H PHE A 118 -11.193 2.424 -10.418 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.227 -0.195 -11.098 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.491 1.959 -10.389 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.182 2.555 -12.008 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.927 -0.163 -10.111 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.550 1.868 -13.852 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.944 -1.294 -10.927 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.579 0.733 -14.665 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.773 -0.872 -13.180 1.00 0.77 H new ATOM 1861 N ASP A 119 -10.876 1.691 -13.515 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.289 1.690 -14.892 1.00 0.54 C ATOM 1863 C ASP A 119 -8.984 0.822 -15.015 1.00 0.53 C ATOM 1864 O ASP A 119 -8.669 0.338 -16.105 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.003 3.138 -15.340 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.458 3.442 -16.770 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.650 3.227 -17.071 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -9.621 3.892 -17.580 1.00 0.91 O ATOM 0 H ASP A 119 -10.714 2.563 -13.011 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.029 1.230 -15.547 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.501 3.825 -14.656 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -8.933 3.329 -15.261 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.236 0.646 -13.882 1.00 0.49 N ATOM 1874 CA ARG A 120 -6.986 -0.164 -13.833 1.00 0.48 C ATOM 1875 C ARG A 120 -7.241 -1.702 -13.799 1.00 0.50 C ATOM 1876 O ARG A 120 -6.752 -2.412 -14.681 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.135 0.247 -12.616 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.495 1.658 -12.713 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.179 1.679 -13.514 1.00 0.52 C ATOM 1880 NE ARG A 120 -3.645 3.034 -13.636 1.00 1.23 N ATOM 1881 CZ ARG A 120 -2.457 3.316 -14.166 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -1.679 2.342 -14.619 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.048 4.574 -14.243 1.00 2.43 N ATOM 0 H ARG A 120 -8.485 1.061 -12.984 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.451 0.045 -14.759 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.760 0.208 -11.724 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.341 -0.488 -12.481 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.206 2.340 -13.179 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.306 2.033 -11.707 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.444 1.040 -13.024 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.350 1.264 -14.507 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.215 3.808 -13.295 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -1.990 1.372 -14.562 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -0.769 2.563 -15.024 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -2.643 5.326 -13.896 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -1.138 4.790 -14.649 1.00 2.43 H new ATOM 1897 N VAL A 121 -7.996 -2.213 -12.789 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.306 -3.686 -12.722 1.00 0.51 C ATOM 1899 C VAL A 121 -9.724 -4.091 -13.274 1.00 0.56 C ATOM 1900 O VAL A 121 -9.868 -5.191 -13.815 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.061 -4.385 -11.299 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.592 -4.829 -11.150 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.457 -3.537 -10.052 1.00 0.93 C ATOM 0 H VAL A 121 -8.393 -1.658 -12.031 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.554 -4.081 -13.405 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.736 -5.240 -11.311 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.451 -5.300 -10.177 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.346 -5.542 -11.937 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -5.939 -3.960 -11.230 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.250 -4.105 -9.145 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -7.879 -2.613 -10.042 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.520 -3.299 -10.096 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.750 -3.213 -13.139 1.00 0.57 N ATOM 1914 CA GLY A 122 -12.098 -3.532 -13.629 1.00 0.63 C ATOM 1915 C GLY A 122 -13.175 -3.373 -12.559 1.00 0.66 C ATOM 1916 O GLY A 122 -13.421 -2.265 -12.076 1.00 0.85 O ATOM 0 H GLY A 122 -10.664 -2.296 -12.701 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.334 -2.885 -14.473 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -12.111 -4.557 -14.000 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.822 -4.494 -12.194 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.870 -4.489 -11.154 1.00 0.87 C ATOM 1922 C HIS A 123 -14.424 -5.309 -9.926 1.00 0.73 C ATOM 1923 O HIS A 123 -14.359 -6.543 -9.968 1.00 1.34 O ATOM 1924 CB HIS A 123 -16.229 -5.005 -11.713 1.00 1.38 C ATOM 1925 CG HIS A 123 -16.148 -6.244 -12.577 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -16.021 -6.195 -13.951 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -16.191 -7.562 -12.255 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -15.988 -7.425 -14.433 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -16.089 -8.271 -13.426 1.00 3.01 N ATOM 0 H HIS A 123 -13.640 -5.412 -12.601 1.00 0.72 H new ATOM 0 HA HIS A 123 -15.020 -3.457 -10.836 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -16.893 -5.211 -10.873 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.690 -4.207 -12.295 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -16.288 -7.976 -11.262 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -15.894 -7.692 -15.475 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -16.091 -9.288 -13.505 1.00 3.01 H new ATOM 1938 N SER A 124 -14.104 -4.572 -8.823 1.00 0.86 N ATOM 1939 CA SER A 124 -13.615 -5.128 -7.512 1.00 0.70 C ATOM 1940 C SER A 124 -12.139 -5.653 -7.601 1.00 0.99 C ATOM 1941 O SER A 124 -11.265 -4.919 -8.075 1.00 2.08 O ATOM 1942 CB SER A 124 -14.587 -6.201 -6.944 1.00 0.73 C ATOM 1943 OG SER A 124 -15.826 -5.625 -6.556 1.00 1.20 O ATOM 0 H SER A 124 -14.178 -3.555 -8.813 1.00 0.86 H new ATOM 0 HA SER A 124 -13.604 -4.301 -6.802 1.00 0.70 H new ATOM 0 HB2 SER A 124 -14.762 -6.970 -7.696 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.128 -6.692 -6.086 1.00 0.73 H new ATOM 0 HG SER A 124 -16.416 -6.324 -6.205 1.00 1.20 H new ATOM 1949 N THR A 125 -11.869 -6.912 -7.115 1.00 0.56 N ATOM 1950 CA THR A 125 -10.514 -7.621 -7.144 1.00 0.51 C ATOM 1951 C THR A 125 -9.339 -6.851 -6.411 1.00 0.48 C ATOM 1952 O THR A 125 -9.589 -5.969 -5.580 1.00 0.51 O ATOM 1953 CB THR A 125 -10.067 -8.089 -8.617 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.910 -6.979 -9.522 1.00 0.62 O ATOM 1955 CG2 THR A 125 -11.039 -9.110 -9.270 1.00 0.62 C ATOM 0 H THR A 125 -12.594 -7.484 -6.681 1.00 0.56 H new ATOM 0 HA THR A 125 -10.696 -8.518 -6.553 1.00 0.51 H new ATOM 0 HB THR A 125 -9.106 -8.578 -8.456 1.00 0.55 H new ATOM 0 HG1 THR A 125 -10.196 -6.153 -9.079 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.673 -9.379 -10.261 1.00 0.62 H new ATOM 0 HG22 THR A 125 -11.098 -10.004 -8.650 1.00 0.62 H new ATOM 0 HG23 THR A 125 -12.030 -8.664 -9.358 1.00 0.62 H new ATOM 1963 N ALA A 126 -8.061 -7.221 -6.709 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.873 -6.575 -6.094 1.00 0.43 C ATOM 1965 C ALA A 126 -6.000 -5.778 -7.114 1.00 0.38 C ATOM 1966 O ALA A 126 -5.719 -6.248 -8.229 1.00 0.41 O ATOM 1967 CB ALA A 126 -6.006 -7.644 -5.383 1.00 0.46 C ATOM 0 H ALA A 126 -7.831 -7.962 -7.371 1.00 0.46 H new ATOM 0 HA ALA A 126 -7.250 -5.848 -5.375 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -5.136 -7.166 -4.933 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.594 -8.132 -4.606 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.677 -8.387 -6.109 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.580 -4.554 -6.704 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.692 -3.678 -7.511 1.00 0.32 C ATOM 1975 C HIS A 127 -3.290 -3.621 -6.845 1.00 0.31 C ATOM 1976 O HIS A 127 -3.173 -3.626 -5.611 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.295 -2.253 -7.657 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.550 -1.324 -8.606 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -3.936 -1.755 -9.768 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.294 0.014 -8.537 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.337 -0.734 -10.357 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.542 0.344 -9.633 1.00 0.38 N ATOM 0 H HIS A 127 -5.846 -4.147 -5.807 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.597 -4.094 -8.514 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.325 -2.346 -8.001 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.328 -1.788 -6.672 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.624 0.689 -7.761 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -2.774 -0.778 -11.278 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.196 1.278 -9.853 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.233 -3.544 -7.662 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.852 -3.545 -7.133 1.00 0.33 C ATOM 1993 C ASP A 128 0.088 -2.550 -7.849 1.00 0.30 C ATOM 1994 O ASP A 128 0.252 -2.589 -9.074 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.229 -5.002 -7.107 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.297 -5.825 -8.419 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.648 -5.729 -9.231 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -1.294 -6.554 -8.613 1.00 2.10 O ATOM 0 H ASP A 128 -2.298 -3.481 -8.678 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.939 -3.194 -6.105 1.00 0.33 H new ATOM 0 HB2 ASP A 128 0.818 -4.917 -6.816 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.732 -5.571 -6.325 1.00 0.45 H new ATOM 2003 N GLU A 129 0.700 -1.658 -7.047 1.00 0.25 N ATOM 2004 CA GLU A 129 1.671 -0.677 -7.558 1.00 0.30 C ATOM 2005 C GLU A 129 3.097 -0.962 -7.031 1.00 0.27 C ATOM 2006 O GLU A 129 3.343 -0.968 -5.811 1.00 0.25 O ATOM 2007 CB GLU A 129 1.238 0.755 -7.189 1.00 0.43 C ATOM 2008 CG GLU A 129 -0.014 1.261 -7.939 1.00 0.91 C ATOM 2009 CD GLU A 129 0.237 1.508 -9.420 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.016 2.430 -9.744 1.00 1.12 O ATOM 2011 OE2 GLU A 129 -0.343 0.781 -10.253 1.00 1.56 O ATOM 0 H GLU A 129 0.538 -1.598 -6.042 1.00 0.25 H new ATOM 0 HA GLU A 129 1.693 -0.769 -8.644 1.00 0.30 H new ATOM 0 HB2 GLU A 129 1.045 0.797 -6.117 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.066 1.434 -7.391 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.816 0.531 -7.829 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.359 2.185 -7.476 1.00 0.91 H new ATOM 2018 N ILE A 130 4.020 -1.198 -7.993 1.00 0.28 N ATOM 2019 CA ILE A 130 5.451 -1.504 -7.725 1.00 0.28 C ATOM 2020 C ILE A 130 6.352 -0.323 -8.172 1.00 0.29 C ATOM 2021 O ILE A 130 6.431 -0.004 -9.366 1.00 0.39 O ATOM 2022 CB ILE A 130 5.952 -2.821 -8.465 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.786 -3.636 -9.110 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.775 -3.751 -7.523 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.597 -3.414 -10.610 1.00 0.45 C ATOM 0 H ILE A 130 3.793 -1.182 -8.987 1.00 0.28 H new ATOM 0 HA ILE A 130 5.527 -1.665 -6.650 1.00 0.28 H new ATOM 0 HB ILE A 130 6.602 -2.466 -9.265 1.00 0.31 H new ATOM 0 HG12 ILE A 130 4.963 -4.697 -8.934 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.858 -3.379 -8.600 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.094 -4.636 -8.074 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.651 -3.215 -7.157 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.156 -4.053 -6.678 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.765 -4.022 -10.966 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.384 -2.362 -10.798 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.507 -3.700 -11.138 1.00 0.45 H new ATOM 2037 N ILE A 131 7.031 0.310 -7.197 1.00 0.21 N ATOM 2038 CA ILE A 131 7.916 1.458 -7.480 1.00 0.26 C ATOM 2039 C ILE A 131 9.316 1.299 -6.788 1.00 0.18 C ATOM 2040 O ILE A 131 9.418 1.531 -5.575 1.00 0.18 O ATOM 2041 CB ILE A 131 7.275 2.838 -7.034 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.732 2.730 -6.780 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.551 3.939 -8.115 1.00 0.62 C ATOM 2044 CD1 ILE A 131 5.238 3.324 -5.462 1.00 0.84 C ATOM 0 H ILE A 131 6.985 0.049 -6.212 1.00 0.21 H new ATOM 0 HA ILE A 131 8.048 1.468 -8.562 1.00 0.26 H new ATOM 0 HB ILE A 131 7.746 3.114 -6.091 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.211 3.226 -7.599 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.449 1.678 -6.813 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.106 4.881 -7.796 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.626 4.069 -8.236 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.113 3.634 -9.065 1.00 0.62 H new ATOM 0 HD11 ILE A 131 4.158 3.196 -5.387 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.722 2.814 -4.629 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.481 4.386 -5.428 1.00 0.84 H new ATOM 2056 N PRO A 132 10.424 0.869 -7.528 1.00 0.13 N ATOM 2057 CA PRO A 132 11.813 0.776 -6.950 1.00 0.09 C ATOM 2058 C PRO A 132 12.515 2.143 -6.756 1.00 0.08 C ATOM 2059 O PRO A 132 12.371 3.054 -7.575 1.00 0.16 O ATOM 2060 CB PRO A 132 12.600 -0.049 -7.995 1.00 0.13 C ATOM 2061 CG PRO A 132 11.545 -0.702 -8.836 1.00 0.16 C ATOM 2062 CD PRO A 132 10.419 0.314 -8.907 1.00 0.16 C ATOM 0 HA PRO A 132 11.770 0.337 -5.953 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.248 0.589 -8.597 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.239 -0.790 -7.515 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.924 -0.942 -9.829 1.00 0.16 H new ATOM 0 HG3 PRO A 132 11.206 -1.637 -8.390 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.607 1.082 -9.658 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.465 -0.150 -9.158 1.00 0.16 H new ATOM 2070 N ILE A 133 13.270 2.247 -5.651 1.00 0.07 N ATOM 2071 CA ILE A 133 13.998 3.472 -5.262 1.00 0.08 C ATOM 2072 C ILE A 133 15.520 3.153 -5.073 1.00 0.08 C ATOM 2073 O ILE A 133 15.898 2.062 -4.633 1.00 0.10 O ATOM 2074 CB ILE A 133 13.374 4.104 -3.928 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.807 3.942 -3.891 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.746 5.616 -3.760 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.187 3.638 -2.515 1.00 0.38 C ATOM 0 H ILE A 133 13.395 1.477 -4.994 1.00 0.07 H new ATOM 0 HA ILE A 133 13.895 4.209 -6.058 1.00 0.08 H new ATOM 0 HB ILE A 133 13.809 3.549 -3.097 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.359 4.859 -4.274 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.529 3.141 -4.576 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.301 6.000 -2.842 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.830 5.721 -3.709 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.367 6.181 -4.612 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.105 3.548 -2.615 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.595 2.703 -2.131 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.422 4.447 -1.823 1.00 0.38 H new ATOM 2089 N SER A 134 16.377 4.135 -5.412 1.00 0.10 N ATOM 2090 CA SER A 134 17.835 3.982 -5.271 1.00 0.12 C ATOM 2091 C SER A 134 18.473 5.161 -4.500 1.00 0.13 C ATOM 2092 O SER A 134 18.535 6.291 -4.995 1.00 0.15 O ATOM 2093 CB SER A 134 18.525 3.781 -6.656 1.00 0.15 C ATOM 2094 OG SER A 134 18.116 4.742 -7.633 1.00 1.31 O ATOM 0 H SER A 134 16.085 5.039 -5.784 1.00 0.10 H new ATOM 0 HA SER A 134 18.000 3.082 -4.679 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.606 3.840 -6.528 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.301 2.780 -7.024 1.00 0.15 H new ATOM 0 HG SER A 134 18.581 4.568 -8.478 1.00 1.31 H new ATOM 2100 N ILE A 135 18.940 4.860 -3.271 1.00 0.13 N ATOM 2101 CA ILE A 135 19.610 5.845 -2.391 1.00 0.15 C ATOM 2102 C ILE A 135 21.114 5.441 -2.228 1.00 0.18 C ATOM 2103 O ILE A 135 21.428 4.317 -1.815 1.00 0.18 O ATOM 2104 CB ILE A 135 18.881 5.976 -0.970 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.322 5.976 -1.128 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.349 7.245 -0.167 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.510 5.324 0.017 1.00 0.15 C ATOM 0 H ILE A 135 18.865 3.930 -2.859 1.00 0.13 H new ATOM 0 HA ILE A 135 19.548 6.829 -2.855 1.00 0.15 H new ATOM 0 HB ILE A 135 19.174 5.099 -0.393 1.00 0.16 H new ATOM 0 HG12 ILE A 135 16.990 7.009 -1.236 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.074 5.463 -2.057 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.824 7.285 0.788 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.423 7.187 0.011 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.125 8.143 -0.743 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.446 5.387 -0.210 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.798 4.278 0.117 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.714 5.847 0.951 1.00 0.15 H new ATOM 2119 N LYS A 136 22.011 6.393 -2.565 1.00 0.20 N ATOM 2120 CA LYS A 136 23.473 6.194 -2.480 1.00 0.23 C ATOM 2121 C LYS A 136 24.174 7.451 -1.958 1.00 0.28 C ATOM 2122 O LYS A 136 23.980 8.557 -2.485 1.00 0.29 O ATOM 2123 CB LYS A 136 24.041 5.797 -3.855 1.00 0.22 C ATOM 2124 CG LYS A 136 23.735 4.337 -4.235 1.00 0.25 C ATOM 2125 CD LYS A 136 23.959 4.042 -5.735 1.00 0.94 C ATOM 2126 CE LYS A 136 23.770 2.553 -6.072 1.00 1.23 C ATOM 2127 NZ LYS A 136 23.872 2.303 -7.537 1.00 2.05 N ATOM 0 H LYS A 136 21.743 7.317 -2.902 1.00 0.20 H new ATOM 0 HA LYS A 136 23.661 5.385 -1.774 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.629 6.459 -4.617 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.121 5.947 -3.853 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.365 3.674 -3.642 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.701 4.110 -3.976 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.264 4.637 -6.328 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.965 4.351 -6.017 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.522 1.963 -5.549 1.00 1.23 H new ATOM 0 HE3 LYS A 136 22.797 2.219 -5.713 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.739 1.289 -7.726 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.138 2.847 -8.034 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.810 2.598 -7.875 1.00 2.05 H new ATOM 2141 N LYS A 137 24.956 7.269 -0.847 1.00 0.33 N ATOM 2142 CA LYS A 137 25.743 8.354 -0.139 1.00 0.40 C ATOM 2143 C LYS A 137 24.870 9.465 0.542 1.00 0.39 C ATOM 2144 O LYS A 137 25.376 10.536 0.895 1.00 0.42 O ATOM 2145 CB LYS A 137 26.763 9.010 -1.104 1.00 0.44 C ATOM 2146 CG LYS A 137 27.906 8.068 -1.551 1.00 0.99 C ATOM 2147 CD LYS A 137 28.779 8.664 -2.690 1.00 1.59 C ATOM 2148 CE LYS A 137 28.170 8.456 -4.090 1.00 2.70 C ATOM 2149 NZ LYS A 137 28.997 9.104 -5.146 1.00 3.55 N ATOM 0 H LYS A 137 25.064 6.356 -0.406 1.00 0.33 H new ATOM 0 HA LYS A 137 26.259 7.840 0.672 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.234 9.366 -1.988 1.00 0.44 H new ATOM 0 HB3 LYS A 137 27.196 9.884 -0.618 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.541 7.845 -0.694 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.479 7.123 -1.886 1.00 0.99 H new ATOM 0 HD2 LYS A 137 28.916 9.731 -2.515 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.768 8.207 -2.659 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.085 7.389 -4.296 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.161 8.867 -4.114 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 28.559 8.945 -6.076 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 29.057 10.126 -4.962 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 29.953 8.694 -5.139 1.00 3.55 H new ATOM 2163 N GLY A 138 23.561 9.172 0.724 1.00 0.35 N ATOM 2164 CA GLY A 138 22.602 10.117 1.311 1.00 0.36 C ATOM 2165 C GLY A 138 21.753 10.896 0.277 1.00 0.33 C ATOM 2166 O GLY A 138 21.230 11.965 0.600 1.00 0.37 O ATOM 0 H GLY A 138 23.148 8.275 0.467 1.00 0.35 H new ATOM 0 HA2 GLY A 138 21.932 9.570 1.974 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.147 10.832 1.927 1.00 0.36 H new ATOM 2170 N LYS A 139 21.620 10.356 -0.967 1.00 0.29 N ATOM 2171 CA LYS A 139 20.834 11.009 -2.030 1.00 0.29 C ATOM 2172 C LYS A 139 19.837 10.030 -2.679 1.00 0.26 C ATOM 2173 O LYS A 139 20.177 8.891 -3.010 1.00 0.25 O ATOM 2174 CB LYS A 139 21.802 11.622 -3.060 1.00 0.33 C ATOM 2175 CG LYS A 139 21.166 12.273 -4.315 1.00 0.65 C ATOM 2176 CD LYS A 139 22.224 12.855 -5.297 1.00 0.67 C ATOM 2177 CE LYS A 139 22.647 14.294 -4.939 1.00 1.00 C ATOM 2178 NZ LYS A 139 21.522 15.256 -5.099 1.00 1.56 N ATOM 0 H LYS A 139 22.048 9.474 -1.248 1.00 0.29 H new ATOM 0 HA LYS A 139 20.231 11.807 -1.597 1.00 0.29 H new ATOM 0 HB2 LYS A 139 22.404 12.377 -2.554 1.00 0.33 H new ATOM 0 HB3 LYS A 139 22.485 10.840 -3.392 1.00 0.33 H new ATOM 0 HG2 LYS A 139 20.563 11.530 -4.837 1.00 0.65 H new ATOM 0 HG3 LYS A 139 20.491 13.070 -4.002 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.104 12.212 -5.297 1.00 0.67 H new ATOM 0 HD3 LYS A 139 21.819 12.842 -6.309 1.00 0.67 H new ATOM 0 HE2 LYS A 139 23.006 14.322 -3.910 1.00 1.00 H new ATOM 0 HE3 LYS A 139 23.478 14.598 -5.575 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 21.876 16.227 -4.982 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 21.107 15.151 -6.047 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 20.796 15.063 -4.380 1.00 1.56 H new ATOM 2192 N LEU A 140 18.616 10.536 -2.919 1.00 0.25 N ATOM 2193 CA LEU A 140 17.498 9.744 -3.462 1.00 0.24 C ATOM 2194 C LEU A 140 17.277 9.924 -4.983 1.00 0.26 C ATOM 2195 O LEU A 140 17.398 11.024 -5.531 1.00 0.34 O ATOM 2196 CB LEU A 140 16.218 10.153 -2.699 1.00 0.24 C ATOM 2197 CG LEU A 140 15.105 9.081 -2.500 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.624 9.034 -1.051 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.916 9.344 -3.404 1.00 0.25 C ATOM 0 H LEU A 140 18.375 11.511 -2.741 1.00 0.25 H new ATOM 0 HA LEU A 140 17.742 8.691 -3.324 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.517 10.509 -1.713 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.775 11.000 -3.223 1.00 0.24 H new ATOM 0 HG LEU A 140 15.550 8.120 -2.760 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.848 8.275 -0.950 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.461 8.787 -0.398 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.219 10.006 -0.770 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.158 8.578 -3.240 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.496 10.324 -3.177 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.238 9.319 -4.445 1.00 0.25 H new ATOM 2211 N SER A 141 16.936 8.804 -5.636 1.00 0.21 N ATOM 2212 CA SER A 141 16.657 8.767 -7.078 1.00 0.22 C ATOM 2213 C SER A 141 15.359 7.978 -7.347 1.00 0.19 C ATOM 2214 O SER A 141 15.291 6.764 -7.104 1.00 0.16 O ATOM 2215 CB SER A 141 17.836 8.121 -7.826 1.00 0.25 C ATOM 2216 OG SER A 141 18.054 8.735 -9.089 1.00 0.64 O ATOM 0 H SER A 141 16.846 7.897 -5.178 1.00 0.21 H new ATOM 0 HA SER A 141 16.528 9.787 -7.439 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.739 8.201 -7.221 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.640 7.058 -7.967 1.00 0.25 H new ATOM 0 HG SER A 141 18.811 8.302 -9.537 1.00 0.64 H new ATOM 2222 N VAL A 142 14.336 8.688 -7.853 1.00 0.21 N ATOM 2223 CA VAL A 142 13.023 8.082 -8.153 1.00 0.22 C ATOM 2224 C VAL A 142 12.670 8.222 -9.695 1.00 0.25 C ATOM 2225 O VAL A 142 12.184 9.261 -10.151 1.00 0.26 O ATOM 2226 CB VAL A 142 11.886 8.601 -7.097 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.431 10.091 -7.223 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.647 7.677 -7.070 1.00 0.41 C ATOM 0 H VAL A 142 14.391 9.684 -8.064 1.00 0.21 H new ATOM 0 HA VAL A 142 13.060 7.005 -7.991 1.00 0.22 H new ATOM 0 HB VAL A 142 12.419 8.550 -6.148 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.676 10.306 -6.467 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.289 10.747 -7.076 1.00 0.46 H new ATOM 0 HG13 VAL A 142 11.010 10.260 -8.214 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.921 8.063 -6.355 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.196 7.643 -8.062 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.949 6.672 -6.774 1.00 0.41 H new ATOM 2238 N GLN A 143 12.984 7.137 -10.477 1.00 0.31 N ATOM 2239 CA GLN A 143 12.733 7.018 -11.965 1.00 0.39 C ATOM 2240 C GLN A 143 13.591 7.990 -12.832 1.00 0.41 C ATOM 2241 O GLN A 143 14.658 7.615 -13.326 1.00 0.46 O ATOM 2242 CB GLN A 143 11.219 7.165 -12.300 1.00 0.44 C ATOM 2243 CG GLN A 143 10.308 6.118 -11.644 1.00 0.65 C ATOM 2244 CD GLN A 143 10.419 4.744 -12.285 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.701 4.430 -13.236 1.00 1.56 O ATOM 2246 NE2 GLN A 143 11.318 3.917 -11.763 1.00 1.12 N ATOM 0 H GLN A 143 13.426 6.304 -10.089 1.00 0.31 H new ATOM 0 HA GLN A 143 13.057 6.012 -12.233 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.888 8.157 -11.992 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.094 7.108 -13.381 1.00 0.44 H new ATOM 0 HG2 GLN A 143 10.558 6.040 -10.586 1.00 0.65 H new ATOM 0 HG3 GLN A 143 9.274 6.457 -11.703 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.892 4.219 -10.975 1.00 1.12 H new ATOM 0 HE22 GLN A 143 11.435 2.980 -12.150 1.00 1.12 H new ATOM 2255 N GLY A 144 13.094 9.232 -12.998 1.00 0.40 N ATOM 2256 CA GLY A 144 13.803 10.274 -13.746 1.00 0.45 C ATOM 2257 C GLY A 144 13.899 11.610 -12.982 1.00 0.42 C ATOM 2258 O GLY A 144 13.967 12.675 -13.602 1.00 0.49 O ATOM 0 H GLY A 144 12.197 9.533 -12.618 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.808 9.924 -13.981 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.294 10.441 -14.695 1.00 0.45 H new ATOM 2262 N GLU A 145 13.902 11.538 -11.629 1.00 0.33 N ATOM 2263 CA GLU A 145 13.990 12.715 -10.750 1.00 0.32 C ATOM 2264 C GLU A 145 15.008 12.468 -9.618 1.00 0.27 C ATOM 2265 O GLU A 145 14.917 11.475 -8.890 1.00 0.36 O ATOM 2266 CB GLU A 145 12.593 13.026 -10.155 1.00 0.37 C ATOM 2267 CG GLU A 145 12.435 14.432 -9.538 1.00 0.80 C ATOM 2268 CD GLU A 145 12.263 15.522 -10.585 1.00 1.16 C ATOM 2269 OE1 GLU A 145 13.287 16.069 -11.046 1.00 1.82 O ATOM 2270 OE2 GLU A 145 11.105 15.825 -10.942 1.00 1.53 O ATOM 0 H GLU A 145 13.843 10.656 -11.121 1.00 0.33 H new ATOM 0 HA GLU A 145 14.329 13.569 -11.336 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.847 12.907 -10.941 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.370 12.284 -9.388 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.572 14.436 -8.872 1.00 0.80 H new ATOM 0 HG3 GLU A 145 13.310 14.656 -8.928 1.00 0.80 H new ATOM 2277 N VAL A 146 15.966 13.397 -9.467 1.00 0.30 N ATOM 2278 CA VAL A 146 17.018 13.285 -8.432 1.00 0.27 C ATOM 2279 C VAL A 146 16.887 14.433 -7.345 1.00 0.28 C ATOM 2280 O VAL A 146 16.611 15.595 -7.668 1.00 0.32 O ATOM 2281 CB VAL A 146 18.475 13.119 -9.132 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.156 14.422 -9.665 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.468 12.337 -8.237 1.00 0.72 C ATOM 0 H VAL A 146 16.037 14.234 -10.045 1.00 0.30 H new ATOM 0 HA VAL A 146 16.883 12.373 -7.850 1.00 0.27 H new ATOM 0 HB VAL A 146 18.234 12.543 -10.026 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.121 14.173 -10.108 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.519 14.883 -10.419 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.304 15.119 -8.840 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.428 12.251 -8.747 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.604 12.868 -7.295 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.072 11.341 -8.039 1.00 0.72 H new ATOM 2293 N SER A 147 17.106 14.055 -6.071 1.00 0.27 N ATOM 2294 CA SER A 147 17.016 14.975 -4.919 1.00 0.29 C ATOM 2295 C SER A 147 17.810 14.406 -3.733 1.00 0.29 C ATOM 2296 O SER A 147 18.343 13.297 -3.806 1.00 0.30 O ATOM 2297 CB SER A 147 15.548 15.186 -4.498 1.00 0.31 C ATOM 2298 OG SER A 147 14.960 16.285 -5.177 1.00 0.56 O ATOM 0 H SER A 147 17.351 13.100 -5.810 1.00 0.27 H new ATOM 0 HA SER A 147 17.436 15.936 -5.216 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.976 14.282 -4.706 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.498 15.354 -3.422 1.00 0.31 H new ATOM 0 HG SER A 147 15.308 16.328 -6.092 1.00 0.56 H new ATOM 2304 N THR A 148 17.901 15.159 -2.625 1.00 0.30 N ATOM 2305 CA THR A 148 18.647 14.670 -1.437 1.00 0.31 C ATOM 2306 C THR A 148 17.718 14.120 -0.318 1.00 0.27 C ATOM 2307 O THR A 148 16.684 14.717 0.007 1.00 0.32 O ATOM 2308 CB THR A 148 19.659 15.713 -0.825 1.00 0.44 C ATOM 2309 OG1 THR A 148 19.046 17.006 -0.634 1.00 1.25 O ATOM 2310 CG2 THR A 148 20.934 15.886 -1.682 1.00 0.99 C ATOM 0 H THR A 148 17.483 16.083 -2.519 1.00 0.30 H new ATOM 0 HA THR A 148 19.239 13.846 -1.835 1.00 0.31 H new ATOM 0 HB THR A 148 19.947 15.300 0.142 1.00 0.44 H new ATOM 0 HG1 THR A 148 19.702 17.626 -0.252 1.00 1.25 H new ATOM 0 HG21 THR A 148 21.593 16.616 -1.211 1.00 0.99 H new ATOM 0 HG22 THR A 148 21.451 14.930 -1.763 1.00 0.99 H new ATOM 0 HG23 THR A 148 20.659 16.235 -2.677 1.00 0.99 H new ATOM 2318 N PHE A 149 18.131 12.970 0.271 1.00 0.26 N ATOM 2319 CA PHE A 149 17.393 12.282 1.373 1.00 0.24 C ATOM 2320 C PHE A 149 17.711 12.897 2.756 1.00 0.24 C ATOM 2321 O PHE A 149 18.880 12.979 3.159 1.00 0.29 O ATOM 2322 CB PHE A 149 17.755 10.767 1.380 1.00 0.23 C ATOM 2323 CG PHE A 149 17.115 9.949 2.521 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.733 9.734 2.569 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.893 9.432 3.566 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.157 9.037 3.615 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.313 8.730 4.606 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.947 8.536 4.632 1.00 0.25 C ATOM 0 H PHE A 149 18.987 12.488 -0.002 1.00 0.26 H new ATOM 0 HA PHE A 149 16.327 12.413 1.189 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.452 10.332 0.427 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.839 10.668 1.446 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.107 10.118 1.777 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.962 9.584 3.559 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.088 8.884 3.637 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.929 8.333 5.399 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.495 7.992 5.448 1.00 0.25 H new ATOM 2338 N THR A 150 16.657 13.313 3.477 1.00 0.25 N ATOM 2339 CA THR A 150 16.851 13.910 4.812 1.00 0.30 C ATOM 2340 C THR A 150 15.906 13.284 5.894 1.00 0.40 C ATOM 2341 O THR A 150 14.779 13.739 6.111 1.00 1.15 O ATOM 2342 CB THR A 150 16.834 15.530 4.773 1.00 0.66 C ATOM 2343 OG1 THR A 150 17.044 16.087 6.084 1.00 1.42 O ATOM 2344 CG2 THR A 150 15.558 16.196 4.153 1.00 1.18 C ATOM 0 H THR A 150 15.686 13.251 3.171 1.00 0.25 H new ATOM 0 HA THR A 150 17.858 13.646 5.134 1.00 0.30 H new ATOM 0 HB THR A 150 17.657 15.765 4.098 1.00 0.66 H new ATOM 0 HG1 THR A 150 17.030 17.065 6.030 1.00 1.42 H new ATOM 0 HG21 THR A 150 15.663 17.281 4.182 1.00 1.18 H new ATOM 0 HG22 THR A 150 15.443 15.870 3.119 1.00 1.18 H new ATOM 0 HG23 THR A 150 14.679 15.901 4.726 1.00 1.18 H new ATOM 2352 N GLY A 151 16.425 12.221 6.560 1.00 0.32 N ATOM 2353 CA GLY A 151 15.731 11.529 7.670 1.00 0.18 C ATOM 2354 C GLY A 151 14.598 10.538 7.340 1.00 0.20 C ATOM 2355 O GLY A 151 14.741 9.343 7.601 1.00 0.42 O ATOM 0 H GLY A 151 17.337 11.821 6.340 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.484 10.989 8.243 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.318 12.294 8.328 1.00 0.18 H new ATOM 2359 N LYS A 152 13.482 11.033 6.774 1.00 0.16 N ATOM 2360 CA LYS A 152 12.309 10.183 6.502 1.00 0.13 C ATOM 2361 C LYS A 152 11.742 10.321 5.071 1.00 0.13 C ATOM 2362 O LYS A 152 11.915 11.333 4.389 1.00 0.16 O ATOM 2363 CB LYS A 152 11.227 10.487 7.615 1.00 0.22 C ATOM 2364 CG LYS A 152 9.719 10.299 7.244 1.00 0.41 C ATOM 2365 CD LYS A 152 8.924 11.634 7.134 1.00 0.56 C ATOM 2366 CE LYS A 152 9.396 12.547 5.992 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.535 13.755 5.863 1.00 1.10 N ATOM 0 H LYS A 152 13.368 12.008 6.498 1.00 0.16 H new ATOM 0 HA LYS A 152 12.619 9.139 6.548 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.442 9.849 8.473 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.365 11.518 7.942 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.652 9.769 6.294 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.246 9.667 7.996 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.868 11.406 6.991 1.00 0.56 H new ATOM 0 HD3 LYS A 152 9.008 12.175 8.077 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.427 12.852 6.172 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.387 11.992 5.054 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.883 14.348 5.083 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.556 13.464 5.667 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.564 14.298 6.750 1.00 1.10 H new ATOM 2381 N LEU A 153 11.040 9.241 4.673 1.00 0.12 N ATOM 2382 CA LEU A 153 10.326 9.115 3.375 1.00 0.13 C ATOM 2383 C LEU A 153 8.802 9.210 3.625 1.00 0.13 C ATOM 2384 O LEU A 153 8.300 8.619 4.588 1.00 0.18 O ATOM 2385 CB LEU A 153 10.677 7.758 2.721 1.00 0.15 C ATOM 2386 CG LEU A 153 11.145 7.754 1.233 1.00 0.34 C ATOM 2387 CD1 LEU A 153 12.006 6.531 0.930 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.969 7.774 0.263 1.00 0.67 C ATOM 0 H LEU A 153 10.948 8.409 5.256 1.00 0.12 H new ATOM 0 HA LEU A 153 10.631 9.918 2.703 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.462 7.294 3.318 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.799 7.116 2.795 1.00 0.15 H new ATOM 0 HG LEU A 153 11.731 8.662 1.095 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.318 6.555 -0.114 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.887 6.538 1.572 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.429 5.625 1.116 1.00 0.43 H new ATOM 0 HD21 LEU A 153 10.342 7.770 -0.761 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.348 6.893 0.426 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.375 8.673 0.430 1.00 0.67 H new ATOM 2400 N SER A 154 8.048 9.939 2.774 1.00 0.14 N ATOM 2401 CA SER A 154 6.601 10.095 3.033 1.00 0.16 C ATOM 2402 C SER A 154 5.668 9.577 1.916 1.00 0.19 C ATOM 2403 O SER A 154 5.946 9.696 0.733 1.00 0.36 O ATOM 2404 CB SER A 154 6.298 11.586 3.292 1.00 0.21 C ATOM 2405 OG SER A 154 5.104 11.780 4.046 1.00 0.24 O ATOM 0 H SER A 154 8.396 10.409 1.939 1.00 0.14 H new ATOM 0 HA SER A 154 6.389 9.471 3.901 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.136 12.036 3.824 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.209 12.106 2.338 1.00 0.21 H new ATOM 0 HG SER A 154 4.883 10.955 4.526 1.00 0.24 H new ATOM 2411 N VAL A 155 4.532 9.001 2.339 1.00 0.16 N ATOM 2412 CA VAL A 155 3.479 8.530 1.391 1.00 0.19 C ATOM 2413 C VAL A 155 2.212 9.370 1.663 1.00 0.25 C ATOM 2414 O VAL A 155 1.453 9.085 2.597 1.00 0.30 O ATOM 2415 CB VAL A 155 3.075 6.976 1.417 1.00 0.28 C ATOM 2416 CG1 VAL A 155 3.209 6.336 0.017 1.00 0.39 C ATOM 2417 CG2 VAL A 155 3.848 6.092 2.423 1.00 0.74 C ATOM 0 H VAL A 155 4.309 8.845 3.322 1.00 0.16 H new ATOM 0 HA VAL A 155 3.918 8.660 0.402 1.00 0.19 H new ATOM 0 HB VAL A 155 2.038 6.998 1.753 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.928 5.284 0.069 1.00 0.39 H new ATOM 0 HG12 VAL A 155 2.553 6.852 -0.683 1.00 0.39 H new ATOM 0 HG13 VAL A 155 4.241 6.419 -0.324 1.00 0.39 H new ATOM 0 HG21 VAL A 155 3.492 5.064 2.353 1.00 0.74 H new ATOM 0 HG22 VAL A 155 4.913 6.124 2.192 1.00 0.74 H new ATOM 0 HG23 VAL A 155 3.685 6.464 3.434 1.00 0.74 H new ATOM 2427 N GLU A 156 1.999 10.399 0.830 1.00 0.28 N ATOM 2428 CA GLU A 156 0.870 11.312 1.007 1.00 0.36 C ATOM 2429 C GLU A 156 -0.095 11.277 -0.176 1.00 0.34 C ATOM 2430 O GLU A 156 0.301 11.510 -1.329 1.00 0.38 O ATOM 2431 CB GLU A 156 1.400 12.750 1.198 1.00 0.53 C ATOM 2432 CG GLU A 156 0.780 13.529 2.367 1.00 0.73 C ATOM 2433 CD GLU A 156 1.248 14.972 2.411 1.00 1.26 C ATOM 2434 OE1 GLU A 156 0.654 15.811 1.700 1.00 1.67 O ATOM 2435 OE2 GLU A 156 2.207 15.264 3.156 1.00 1.66 O ATOM 0 H GLU A 156 2.594 10.616 0.031 1.00 0.28 H new ATOM 0 HA GLU A 156 0.318 10.988 1.889 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.479 12.705 1.345 1.00 0.53 H new ATOM 0 HB3 GLU A 156 1.226 13.309 0.278 1.00 0.53 H new ATOM 0 HG2 GLU A 156 -0.306 13.504 2.281 1.00 0.73 H new ATOM 0 HG3 GLU A 156 1.037 13.037 3.305 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.371 10.978 0.121 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.405 10.956 -0.918 1.00 0.40 C ATOM 2444 C PHE A 157 -3.449 12.058 -0.713 1.00 0.41 C ATOM 2445 O PHE A 157 -3.936 12.324 0.410 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.095 9.574 -1.119 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.109 8.619 0.072 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -3.750 8.968 1.249 1.00 1.03 C ATOM 2449 CD2 PHE A 157 -2.505 7.358 -0.002 1.00 0.99 C ATOM 2450 CE1 PHE A 157 -3.785 8.092 2.320 1.00 1.60 C ATOM 2451 CE2 PHE A 157 -2.540 6.487 1.068 1.00 1.55 C ATOM 2452 CZ PHE A 157 -3.182 6.853 2.231 1.00 1.80 C ATOM 0 H PHE A 157 -1.704 10.752 1.058 1.00 0.35 H new ATOM 0 HA PHE A 157 -1.862 11.154 -1.842 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.127 9.753 -1.420 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.603 9.069 -1.951 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -4.227 9.933 1.332 1.00 1.03 H new ATOM 0 HD2 PHE A 157 -2.003 7.062 -0.911 1.00 0.99 H new ATOM 0 HE1 PHE A 157 -4.287 8.380 3.232 1.00 1.60 H new ATOM 0 HE2 PHE A 157 -2.065 5.520 0.994 1.00 1.55 H new ATOM 0 HZ PHE A 157 -3.213 6.173 3.070 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.764 12.687 -1.856 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.720 13.827 -1.953 1.00 0.46 C ATOM 2464 C VAL A 158 -6.080 13.331 -2.563 1.00 0.48 C ATOM 2465 O VAL A 158 -6.115 12.468 -3.460 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.145 15.096 -2.787 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.797 16.440 -2.364 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.611 15.303 -2.679 1.00 0.58 C ATOM 0 H VAL A 158 -3.363 12.423 -2.756 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.877 14.190 -0.937 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.402 14.835 -3.814 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.373 17.252 -2.955 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.873 16.391 -2.532 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.603 16.622 -1.307 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.319 16.173 -3.268 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.338 15.463 -1.636 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.097 14.419 -3.057 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.180 13.949 -2.049 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.613 13.667 -2.399 1.00 0.56 C ATOM 2480 C LYS A 159 -9.013 13.843 -3.904 1.00 0.66 C ATOM 2481 O LYS A 159 -8.440 14.669 -4.627 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.529 14.596 -1.553 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.294 16.112 -1.772 1.00 1.06 C ATOM 2484 CD LYS A 159 -10.274 16.994 -0.967 1.00 1.48 C ATOM 2485 CE LYS A 159 -10.117 18.490 -1.293 1.00 1.63 C ATOM 2486 NZ LYS A 159 -10.484 18.789 -2.706 1.00 2.18 N ATOM 0 H LYS A 159 -7.096 14.688 -1.351 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.743 12.607 -2.183 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.569 14.366 -1.784 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.379 14.368 -0.498 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -8.272 16.361 -1.488 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.395 16.341 -2.833 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.297 16.684 -1.180 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -10.108 16.837 0.099 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -10.745 19.076 -0.622 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -9.086 18.795 -1.113 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -10.563 19.818 -2.834 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -9.750 18.416 -3.342 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -11.396 18.341 -2.930 1.00 2.18 H new ATOM 2500 N GLY A 160 -10.020 13.060 -4.332 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.518 13.112 -5.716 1.00 0.93 C ATOM 2502 C GLY A 160 -11.931 13.702 -5.851 1.00 0.96 C ATOM 2503 O GLY A 160 -12.103 14.752 -6.475 1.00 1.02 O ATOM 0 H GLY A 160 -10.503 12.385 -3.739 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.829 13.705 -6.317 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.515 12.104 -6.130 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.938 13.019 -5.266 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.343 13.478 -5.319 1.00 1.02 C ATOM 2509 C TYR A 161 -15.003 13.476 -3.916 1.00 1.05 C ATOM 2510 O TYR A 161 -15.362 14.539 -3.402 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.149 12.599 -6.301 1.00 1.14 C ATOM 2512 CG TYR A 161 -16.364 13.294 -6.939 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -16.200 14.186 -8.003 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -17.669 13.062 -6.483 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -17.287 14.817 -8.586 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -18.755 13.695 -7.068 1.00 2.26 C ATOM 2517 CZ TYR A 161 -18.557 14.567 -8.115 1.00 2.29 C ATOM 2518 OH TYR A 161 -19.635 15.194 -8.694 1.00 2.86 O ATOM 0 H TYR A 161 -12.804 12.148 -4.752 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.346 14.508 -5.676 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.483 12.261 -7.095 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -15.493 11.710 -5.773 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -15.207 14.387 -8.378 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.831 12.379 -5.662 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -17.139 15.503 -9.407 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -19.754 13.505 -6.703 1.00 2.26 H new ATOM 0 HH TYR A 161 -20.459 14.909 -8.246 1.00 2.86 H new ATOM 2528 N TYR A 162 -15.158 12.277 -3.311 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.766 12.129 -1.967 1.00 1.17 C ATOM 2530 C TYR A 162 -14.789 11.473 -0.958 1.00 1.10 C ATOM 2531 O TYR A 162 -14.642 11.957 0.167 1.00 1.71 O ATOM 2532 CB TYR A 162 -17.065 11.306 -2.061 1.00 1.54 C ATOM 2533 CG TYR A 162 -18.155 11.730 -1.062 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -18.163 11.242 0.250 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -19.167 12.626 -1.425 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -19.139 11.629 1.153 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -20.143 13.012 -0.519 1.00 3.18 C ATOM 2538 CZ TYR A 162 -20.122 12.510 0.762 1.00 3.16 C ATOM 2539 OH TYR A 162 -21.091 12.894 1.661 1.00 3.91 O ATOM 0 H TYR A 162 -14.870 11.394 -3.733 1.00 1.09 H new ATOM 0 HA TYR A 162 -15.996 13.129 -1.598 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -17.463 11.390 -3.072 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.828 10.255 -1.898 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -17.394 10.551 0.564 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -19.188 13.024 -2.429 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -19.129 11.241 2.161 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -20.917 13.704 -0.818 1.00 3.18 H new ATOM 0 HH TYR A 162 -21.709 13.520 1.229 1.00 3.91 H new ATOM 2549 N ASP A 163 -14.126 10.368 -1.378 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.136 9.636 -0.540 1.00 0.99 C ATOM 2551 C ASP A 163 -11.679 10.000 -0.943 1.00 1.06 C ATOM 2552 O ASP A 163 -11.460 10.782 -1.879 1.00 1.74 O ATOM 2553 CB ASP A 163 -13.350 8.112 -0.670 1.00 1.11 C ATOM 2554 CG ASP A 163 -14.450 7.572 0.241 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.251 7.569 1.473 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -15.505 7.153 -0.281 1.00 1.34 O ATOM 0 H ASP A 163 -14.259 9.958 -2.302 1.00 1.04 H new ATOM 0 HA ASP A 163 -13.289 9.935 0.497 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -13.597 7.875 -1.705 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -12.415 7.601 -0.440 1.00 1.11 H new ATOM 2561 N ASN A 164 -10.675 9.453 -0.223 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.261 9.743 -0.547 1.00 0.83 C ATOM 2563 C ASN A 164 -8.523 8.440 -1.029 1.00 1.01 C ATOM 2564 O ASN A 164 -8.457 8.242 -2.238 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.545 10.500 0.608 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.857 11.983 0.744 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -9.962 12.441 0.462 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.866 12.728 1.217 1.00 0.82 N ATOM 0 H ASN A 164 -10.811 8.823 0.568 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.227 10.434 -1.389 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -8.801 10.010 1.547 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -7.469 10.389 0.473 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -8.004 13.728 1.361 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -6.966 12.300 1.436 1.00 0.82 H new ATOM 2575 N PRO A 165 -7.939 7.516 -0.165 1.00 0.87 N ATOM 2576 CA PRO A 165 -7.320 6.252 -0.677 1.00 1.06 C ATOM 2577 C PRO A 165 -8.311 5.057 -0.796 1.00 0.93 C ATOM 2578 O PRO A 165 -8.222 4.245 -1.719 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.280 5.940 0.411 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.968 6.367 1.680 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.701 7.646 1.303 1.00 1.41 C ATOM 0 HA PRO A 165 -6.933 6.383 -1.687 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.023 4.881 0.430 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -5.353 6.491 0.251 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -7.660 5.602 2.033 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.250 6.542 2.481 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -8.638 7.743 1.851 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.104 8.529 1.533 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.249 4.995 0.196 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.295 3.946 0.374 1.00 0.47 C ATOM 2591 C LYS A 166 -9.689 2.671 1.037 1.00 0.42 C ATOM 2592 O LYS A 166 -9.720 2.570 2.268 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.084 3.659 -0.936 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.470 2.995 -0.728 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.323 2.960 -2.024 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.133 4.255 -2.242 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.144 4.465 -1.169 1.00 3.00 N ATOM 0 H LYS A 166 -9.297 5.708 0.924 1.00 0.54 H new ATOM 0 HA LYS A 166 -11.045 4.331 1.065 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -11.223 4.597 -1.473 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -10.480 3.014 -1.574 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.329 1.977 -0.364 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -13.015 3.537 0.045 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -12.668 2.798 -2.880 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -14.007 2.112 -1.981 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -13.454 5.107 -2.273 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -14.634 4.211 -3.209 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -15.151 5.467 -0.890 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -16.085 4.197 -1.521 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -14.903 3.878 -0.345 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.145 1.698 0.245 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.461 0.517 0.860 1.00 0.38 C ATOM 2613 C VAL A 167 -6.937 0.613 0.543 1.00 0.34 C ATOM 2614 O VAL A 167 -6.538 0.742 -0.630 1.00 0.33 O ATOM 2615 CB VAL A 167 -9.058 -0.907 0.392 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.466 -2.119 1.168 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.602 -1.008 0.532 1.00 0.58 C ATOM 0 H VAL A 167 -9.163 1.703 -0.775 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.640 0.555 1.935 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.767 -0.953 -0.658 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.914 -3.041 0.799 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.387 -2.155 1.018 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.681 -2.011 2.231 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.934 -1.992 0.199 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.883 -0.864 1.575 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -11.074 -0.240 -0.080 1.00 0.58 H new ATOM 2627 N CYS A 168 -6.117 0.428 1.606 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.658 0.516 1.483 1.00 0.35 C ATOM 2629 C CYS A 168 -3.947 -0.595 2.285 1.00 0.36 C ATOM 2630 O CYS A 168 -4.265 -0.857 3.441 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.213 1.895 1.952 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.652 2.466 1.246 1.00 0.87 S ATOM 0 H CYS A 168 -6.447 0.219 2.548 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.381 0.372 0.439 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.992 2.616 1.706 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -4.122 1.882 3.038 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.372 3.647 1.711 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.981 -1.256 1.620 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.200 -2.404 2.174 1.00 0.29 C ATOM 2640 C ALA A 169 -0.633 -2.273 2.034 1.00 0.25 C ATOM 2641 O ALA A 169 0.031 -3.092 1.361 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.754 -3.774 1.718 1.00 0.34 C ATOM 0 H ALA A 169 -2.709 -1.012 0.668 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.360 -2.354 3.251 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -2.150 -4.572 2.149 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.786 -3.879 2.053 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.717 -3.838 0.630 1.00 0.34 H new ATOM 2648 N LEU A 170 -0.084 -1.101 2.484 1.00 0.22 N ATOM 2649 CA LEU A 170 1.387 -0.710 2.456 1.00 0.21 C ATOM 2650 C LEU A 170 2.436 -1.801 2.825 1.00 0.19 C ATOM 2651 O LEU A 170 2.263 -2.546 3.788 1.00 0.34 O ATOM 2652 CB LEU A 170 1.598 0.422 3.478 1.00 0.31 C ATOM 2653 CG LEU A 170 1.972 1.852 2.976 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.207 1.874 2.055 1.00 0.50 C ATOM 2655 CD2 LEU A 170 0.794 2.529 2.280 1.00 0.70 C ATOM 0 H LEU A 170 -0.664 -0.369 2.893 1.00 0.22 H new ATOM 0 HA LEU A 170 1.564 -0.458 1.411 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.681 0.510 4.061 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.382 0.101 4.163 1.00 0.31 H new ATOM 0 HG LEU A 170 2.229 2.414 3.874 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.410 2.899 1.743 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.069 1.481 2.593 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.016 1.258 1.176 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.092 3.522 1.944 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.487 1.932 1.421 1.00 0.70 H new ATOM 0 HD23 LEU A 170 -0.039 2.616 2.977 1.00 0.70 H new ATOM 2667 N PHE A 171 3.537 -1.834 2.055 1.00 0.16 N ATOM 2668 CA PHE A 171 4.624 -2.802 2.262 1.00 0.14 C ATOM 2669 C PHE A 171 5.983 -2.255 1.736 1.00 0.14 C ATOM 2670 O PHE A 171 6.203 -2.237 0.521 1.00 0.19 O ATOM 2671 CB PHE A 171 4.237 -4.122 1.517 1.00 0.17 C ATOM 2672 CG PHE A 171 5.295 -5.229 1.430 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.251 -5.373 2.440 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.342 -6.119 0.357 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.208 -6.367 2.377 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.294 -7.106 0.298 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.210 -7.246 1.240 1.00 0.17 C ATOM 0 H PHE A 171 3.697 -1.194 1.277 1.00 0.16 H new ATOM 0 HA PHE A 171 4.751 -2.987 3.329 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.357 -4.538 2.007 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.942 -3.859 0.501 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.241 -4.697 3.282 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.618 -6.030 -0.440 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.938 -6.481 3.164 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.294 -7.786 -0.541 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.959 -8.020 1.156 1.00 0.17 H new ATOM 2687 N ILE A 172 6.900 -1.810 2.641 1.00 0.10 N ATOM 2688 CA ILE A 172 8.246 -1.385 2.185 1.00 0.10 C ATOM 2689 C ILE A 172 9.367 -2.356 2.735 1.00 0.08 C ATOM 2690 O ILE A 172 9.549 -2.550 3.975 1.00 0.08 O ATOM 2691 CB ILE A 172 8.624 0.184 2.346 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.828 0.521 1.330 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.906 0.626 3.826 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.343 1.982 1.226 1.00 0.31 C ATOM 0 H ILE A 172 6.739 -1.739 3.646 1.00 0.10 H new ATOM 0 HA ILE A 172 8.197 -1.481 1.100 1.00 0.10 H new ATOM 0 HB ILE A 172 7.753 0.782 2.079 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.675 -0.107 1.605 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.513 0.212 0.333 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.151 1.688 3.848 1.00 0.22 H new ATOM 0 HG22 ILE A 172 8.020 0.445 4.435 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.743 0.052 4.224 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.153 2.031 0.498 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.529 2.633 0.908 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.709 2.309 2.199 1.00 0.31 H new ATOM 2706 N MET A 173 10.108 -2.930 1.783 1.00 0.09 N ATOM 2707 CA MET A 173 11.209 -3.859 2.077 1.00 0.11 C ATOM 2708 C MET A 173 12.542 -3.356 1.465 1.00 0.13 C ATOM 2709 O MET A 173 12.543 -2.464 0.602 1.00 0.21 O ATOM 2710 CB MET A 173 10.846 -5.294 1.612 1.00 0.15 C ATOM 2711 CG MET A 173 10.287 -5.393 0.172 1.00 0.17 C ATOM 2712 SD MET A 173 11.560 -5.292 -1.109 1.00 0.44 S ATOM 2713 CE MET A 173 12.586 -6.710 -0.723 1.00 0.26 C ATOM 0 H MET A 173 9.964 -2.766 0.787 1.00 0.09 H new ATOM 0 HA MET A 173 11.358 -3.897 3.156 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.736 -5.919 1.684 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.109 -5.708 2.301 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.749 -6.335 0.064 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.563 -4.593 0.017 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.122 -7.026 -1.618 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.302 -6.440 0.053 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.958 -7.528 -0.369 1.00 0.26 H new ATOM 2723 N LYS A 174 13.681 -3.931 1.895 1.00 0.12 N ATOM 2724 CA LYS A 174 14.979 -3.427 1.421 1.00 0.19 C ATOM 2725 C LYS A 174 15.926 -4.413 0.689 1.00 0.16 C ATOM 2726 O LYS A 174 15.871 -5.640 0.808 1.00 0.17 O ATOM 2727 CB LYS A 174 15.742 -2.766 2.610 1.00 0.38 C ATOM 2728 CG LYS A 174 16.490 -3.758 3.536 1.00 0.54 C ATOM 2729 CD LYS A 174 17.285 -3.072 4.679 1.00 0.57 C ATOM 2730 CE LYS A 174 18.581 -2.390 4.200 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.439 -1.996 5.346 1.00 1.26 N ATOM 0 H LYS A 174 13.729 -4.715 2.545 1.00 0.12 H new ATOM 0 HA LYS A 174 14.702 -2.719 0.640 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.462 -2.052 2.209 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.030 -2.198 3.209 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.768 -4.448 3.972 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.177 -4.354 2.935 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.648 -2.329 5.159 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.533 -3.816 5.436 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.131 -3.068 3.547 1.00 0.49 H new ATOM 0 HE3 LYS A 174 18.333 -1.509 3.608 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.226 -1.408 5.005 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 18.875 -1.455 6.032 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.818 -2.849 5.805 1.00 1.26 H new ATOM 2745 N GLY A 175 16.792 -3.742 -0.070 1.00 0.14 N ATOM 2746 CA GLY A 175 17.924 -4.297 -0.815 1.00 0.15 C ATOM 2747 C GLY A 175 17.800 -4.478 -2.337 1.00 0.13 C ATOM 2748 O GLY A 175 18.720 -4.010 -3.019 1.00 0.17 O ATOM 0 H GLY A 175 16.718 -2.732 -0.189 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.786 -3.656 -0.629 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.154 -5.272 -0.386 1.00 0.15 H new ATOM 2752 N THR A 176 16.624 -4.937 -2.888 1.00 0.11 N ATOM 2753 CA THR A 176 16.447 -5.170 -4.374 1.00 0.10 C ATOM 2754 C THR A 176 15.008 -5.595 -4.755 1.00 0.10 C ATOM 2755 O THR A 176 14.247 -6.129 -3.938 1.00 0.13 O ATOM 2756 CB THR A 176 17.392 -6.285 -4.999 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.874 -7.225 -4.017 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.591 -5.705 -5.785 1.00 0.15 C ATOM 0 H THR A 176 15.793 -5.151 -2.336 1.00 0.11 H new ATOM 0 HA THR A 176 16.706 -4.192 -4.780 1.00 0.10 H new ATOM 0 HB THR A 176 16.751 -6.814 -5.704 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.448 -7.889 -4.454 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.194 -6.521 -6.184 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.224 -5.090 -6.606 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.202 -5.095 -5.119 1.00 0.15 H new ATOM 2766 N ALA A 177 14.662 -5.357 -6.060 1.00 0.10 N ATOM 2767 CA ALA A 177 13.350 -5.734 -6.683 1.00 0.11 C ATOM 2768 C ALA A 177 13.260 -7.249 -7.124 1.00 0.15 C ATOM 2769 O ALA A 177 12.169 -7.757 -7.427 1.00 0.17 O ATOM 2770 CB ALA A 177 13.074 -4.798 -7.885 1.00 0.15 C ATOM 0 H ALA A 177 15.292 -4.894 -6.714 1.00 0.10 H new ATOM 0 HA ALA A 177 12.585 -5.611 -5.917 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.122 -5.066 -8.343 1.00 0.15 H new ATOM 0 HB2 ALA A 177 13.033 -3.765 -7.540 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.873 -4.904 -8.619 1.00 0.15 H new ATOM 2776 N ASP A 178 14.418 -7.972 -7.125 1.00 0.19 N ATOM 2777 CA ASP A 178 14.494 -9.423 -7.477 1.00 0.24 C ATOM 2778 C ASP A 178 14.255 -10.389 -6.261 1.00 0.26 C ATOM 2779 O ASP A 178 14.351 -11.610 -6.412 1.00 0.31 O ATOM 2780 CB ASP A 178 15.859 -9.732 -8.111 1.00 0.31 C ATOM 2781 CG ASP A 178 15.833 -9.698 -9.635 1.00 0.42 C ATOM 2782 OD1 ASP A 178 16.037 -8.608 -10.209 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.610 -10.764 -10.249 1.00 0.55 O ATOM 0 H ASP A 178 15.322 -7.567 -6.883 1.00 0.19 H new ATOM 0 HA ASP A 178 13.684 -9.606 -8.183 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.592 -9.011 -7.750 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.191 -10.716 -7.781 1.00 0.31 H new ATOM 2788 N ASP A 179 13.939 -9.821 -5.068 1.00 0.24 N ATOM 2789 CA ASP A 179 13.673 -10.596 -3.828 1.00 0.31 C ATOM 2790 C ASP A 179 12.154 -10.727 -3.493 1.00 0.32 C ATOM 2791 O ASP A 179 11.768 -11.626 -2.741 1.00 0.44 O ATOM 2792 CB ASP A 179 14.406 -9.957 -2.638 1.00 0.37 C ATOM 2793 CG ASP A 179 15.721 -10.652 -2.303 1.00 0.48 C ATOM 2794 OD1 ASP A 179 16.755 -10.290 -2.904 1.00 0.52 O ATOM 2795 OD2 ASP A 179 15.712 -11.556 -1.440 1.00 0.60 O ATOM 0 H ASP A 179 13.862 -8.812 -4.939 1.00 0.24 H new ATOM 0 HA ASP A 179 14.047 -11.603 -4.011 1.00 0.31 H new ATOM 0 HB2 ASP A 179 14.603 -8.908 -2.861 1.00 0.37 H new ATOM 0 HB3 ASP A 179 13.756 -9.981 -1.763 1.00 0.37 H new ATOM 2800 N VAL A 180 11.301 -9.821 -4.055 1.00 0.24 N ATOM 2801 CA VAL A 180 9.834 -9.823 -3.860 1.00 0.29 C ATOM 2802 C VAL A 180 9.099 -10.799 -4.860 1.00 0.50 C ATOM 2803 O VAL A 180 9.603 -11.048 -5.963 1.00 0.95 O ATOM 2804 CB VAL A 180 9.151 -8.358 -3.965 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.129 -7.647 -2.603 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.785 -7.382 -5.008 1.00 0.50 C ATOM 0 H VAL A 180 11.623 -9.066 -4.660 1.00 0.24 H new ATOM 0 HA VAL A 180 9.706 -10.177 -2.837 1.00 0.29 H new ATOM 0 HB VAL A 180 8.144 -8.584 -4.316 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.664 -6.667 -2.712 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.558 -8.243 -1.891 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.149 -7.526 -2.239 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.248 -6.433 -4.992 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.832 -7.211 -4.757 1.00 0.50 H new ATOM 0 HG23 VAL A 180 9.718 -7.820 -6.004 1.00 0.50 H new ATOM 2816 N PRO A 181 7.895 -11.363 -4.476 1.00 0.59 N ATOM 2817 CA PRO A 181 7.057 -12.298 -5.336 1.00 0.75 C ATOM 2818 C PRO A 181 6.562 -11.713 -6.693 1.00 1.31 C ATOM 2819 O PRO A 181 5.816 -10.728 -6.721 1.00 1.80 O ATOM 2820 CB PRO A 181 5.825 -12.562 -4.438 1.00 1.20 C ATOM 2821 CG PRO A 181 5.823 -11.387 -3.500 1.00 1.57 C ATOM 2822 CD PRO A 181 7.261 -11.205 -3.147 1.00 1.05 C ATOM 0 HA PRO A 181 7.652 -13.164 -5.626 1.00 0.75 H new ATOM 0 HB2 PRO A 181 4.906 -12.613 -5.021 1.00 1.20 H new ATOM 0 HB3 PRO A 181 5.914 -13.506 -3.900 1.00 1.20 H new ATOM 0 HG2 PRO A 181 5.413 -10.496 -3.977 1.00 1.57 H new ATOM 0 HG3 PRO A 181 5.217 -11.583 -2.616 1.00 1.57 H new ATOM 0 HD2 PRO A 181 7.458 -10.227 -2.709 1.00 1.05 H new ATOM 0 HD3 PRO A 181 7.609 -11.951 -2.432 1.00 1.05 H new ATOM 2830 N MET A 182 7.003 -12.337 -7.799 1.00 1.54 N ATOM 2831 CA MET A 182 6.633 -11.899 -9.156 1.00 2.26 C ATOM 2832 C MET A 182 6.494 -13.098 -10.114 1.00 2.40 C ATOM 2833 O MET A 182 7.461 -13.829 -10.364 1.00 2.49 O ATOM 2834 CB MET A 182 7.693 -10.910 -9.697 1.00 2.82 C ATOM 2835 CG MET A 182 7.204 -9.982 -10.823 1.00 3.46 C ATOM 2836 SD MET A 182 8.527 -8.937 -11.470 1.00 4.01 S ATOM 2837 CE MET A 182 7.650 -7.982 -12.707 1.00 4.96 C ATOM 0 H MET A 182 7.619 -13.150 -7.779 1.00 1.54 H new ATOM 0 HA MET A 182 5.666 -11.400 -9.099 1.00 2.26 H new ATOM 0 HB2 MET A 182 8.050 -10.296 -8.870 1.00 2.82 H new ATOM 0 HB3 MET A 182 8.547 -11.480 -10.062 1.00 2.82 H new ATOM 0 HG2 MET A 182 6.790 -10.583 -11.632 1.00 3.46 H new ATOM 0 HG3 MET A 182 6.397 -9.353 -10.448 1.00 3.46 H new ATOM 0 HE1 MET A 182 8.341 -7.292 -13.191 1.00 4.96 H new ATOM 0 HE2 MET A 182 7.227 -8.654 -13.453 1.00 4.96 H new ATOM 0 HE3 MET A 182 6.848 -7.418 -12.230 1.00 4.96 H new ATOM 2847 N LEU A 183 5.274 -13.280 -10.652 1.00 2.65 N ATOM 2848 CA LEU A 183 4.978 -14.378 -11.596 1.00 2.86 C ATOM 2849 C LEU A 183 4.245 -13.887 -12.861 1.00 3.61 C ATOM 2850 O LEU A 183 3.619 -12.817 -12.883 1.00 4.00 O ATOM 2851 CB LEU A 183 4.125 -15.478 -10.912 1.00 2.51 C ATOM 2852 CG LEU A 183 4.836 -16.326 -9.820 1.00 2.24 C ATOM 2853 CD1 LEU A 183 3.849 -16.790 -8.750 1.00 2.43 C ATOM 2854 CD2 LEU A 183 5.546 -17.546 -10.423 1.00 2.58 C ATOM 0 H LEU A 183 4.474 -12.680 -10.450 1.00 2.65 H new ATOM 0 HA LEU A 183 5.941 -14.789 -11.899 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.253 -15.003 -10.462 1.00 2.51 H new ATOM 0 HB3 LEU A 183 3.757 -16.154 -11.684 1.00 2.51 H new ATOM 0 HG LEU A 183 5.584 -15.681 -9.359 1.00 2.24 H new ATOM 0 HD11 LEU A 183 4.376 -17.381 -8.001 1.00 2.43 H new ATOM 0 HD12 LEU A 183 3.394 -15.922 -8.274 1.00 2.43 H new ATOM 0 HD13 LEU A 183 3.072 -17.399 -9.211 1.00 2.43 H new ATOM 0 HD21 LEU A 183 6.031 -18.114 -9.629 1.00 2.58 H new ATOM 0 HD22 LEU A 183 4.816 -18.179 -10.928 1.00 2.58 H new ATOM 0 HD23 LEU A 183 6.296 -17.213 -11.141 1.00 2.58 H new ATOM 2866 N GLN A 184 4.329 -14.713 -13.916 1.00 3.87 N ATOM 2867 CA GLN A 184 3.683 -14.447 -15.221 1.00 4.58 C ATOM 2868 C GLN A 184 2.432 -15.361 -15.421 1.00 4.68 C ATOM 2869 O GLN A 184 2.301 -16.369 -14.708 1.00 4.25 O ATOM 2870 CB GLN A 184 4.712 -14.707 -16.345 1.00 4.95 C ATOM 2871 CG GLN A 184 5.911 -13.742 -16.346 1.00 5.32 C ATOM 2872 CD GLN A 184 6.854 -13.966 -17.518 1.00 5.82 C ATOM 2873 OE1 GLN A 184 7.472 -13.023 -18.014 1.00 6.06 O ATOM 2874 NE2 GLN A 184 6.979 -15.211 -17.965 1.00 6.27 N ATOM 0 H GLN A 184 4.849 -15.590 -13.892 1.00 3.87 H new ATOM 0 HA GLN A 184 3.348 -13.410 -15.250 1.00 4.58 H new ATOM 0 HB2 GLN A 184 5.083 -15.728 -16.252 1.00 4.95 H new ATOM 0 HB3 GLN A 184 4.205 -14.638 -17.308 1.00 4.95 H new ATOM 0 HG2 GLN A 184 5.544 -12.716 -16.373 1.00 5.32 H new ATOM 0 HG3 GLN A 184 6.465 -13.858 -15.414 1.00 5.32 H new ATOM 0 HE21 GLN A 184 6.450 -15.965 -17.528 1.00 6.27 H new ATOM 0 HE22 GLN A 184 7.604 -15.412 -18.746 1.00 6.27 H new ATOM 2883 N PRO A 185 1.467 -15.048 -16.381 1.00 5.36 N ATOM 2884 CA PRO A 185 0.251 -15.910 -16.627 1.00 5.62 C ATOM 2885 C PRO A 185 0.566 -17.313 -17.180 1.00 5.52 C ATOM 2886 O PRO A 185 1.195 -17.453 -18.235 1.00 5.77 O ATOM 2887 CB PRO A 185 -0.542 -15.151 -17.701 1.00 6.42 C ATOM 2888 CG PRO A 185 -0.036 -13.737 -17.633 1.00 6.59 C ATOM 2889 CD PRO A 185 1.430 -13.840 -17.247 1.00 5.99 C ATOM 0 HA PRO A 185 -0.269 -16.073 -15.683 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -0.379 -15.581 -18.689 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -1.613 -15.196 -17.506 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -0.153 -13.233 -18.592 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -0.594 -13.157 -16.898 1.00 6.59 H new ATOM 0 HD2 PRO A 185 2.070 -13.952 -18.122 1.00 5.99 H new ATOM 0 HD3 PRO A 185 1.770 -12.952 -16.714 1.00 5.99 H new ATOM 2897 N HIS A 186 0.120 -18.333 -16.444 1.00 5.25 N ATOM 2898 CA HIS A 186 0.355 -19.720 -16.828 1.00 5.19 C ATOM 2899 C HIS A 186 -0.941 -20.583 -16.670 1.00 5.51 C ATOM 2900 O HIS A 186 -1.620 -20.485 -15.640 1.00 5.51 O ATOM 2901 CB HIS A 186 1.523 -20.291 -15.979 1.00 4.55 C ATOM 2902 CG HIS A 186 2.267 -21.441 -16.624 1.00 4.63 C ATOM 2903 ND1 HIS A 186 1.644 -22.599 -17.037 1.00 4.77 N ATOM 2904 CD2 HIS A 186 3.572 -21.583 -16.970 1.00 4.82 C ATOM 2905 CE1 HIS A 186 2.517 -23.396 -17.611 1.00 4.89 C ATOM 2906 NE2 HIS A 186 3.699 -22.807 -17.583 1.00 4.96 N ATOM 0 H HIS A 186 -0.407 -18.221 -15.578 1.00 5.25 H new ATOM 0 HA HIS A 186 0.629 -19.757 -17.882 1.00 5.19 H new ATOM 0 HB2 HIS A 186 2.231 -19.488 -15.772 1.00 4.55 H new ATOM 0 HB3 HIS A 186 1.128 -20.624 -15.019 1.00 4.55 H new ATOM 0 HD2 HIS A 186 4.363 -20.868 -16.796 1.00 4.82 H new ATOM 0 HE1 HIS A 186 2.304 -24.367 -18.034 1.00 4.89 H new ATOM 0 HE2 HIS A 186 4.565 -23.197 -17.955 1.00 4.96 H new ATOM 2915 N PRO A 187 -1.308 -21.463 -17.687 1.00 5.90 N ATOM 2916 CA PRO A 187 -2.537 -22.341 -17.629 1.00 6.31 C ATOM 2917 C PRO A 187 -2.448 -23.591 -16.710 1.00 6.06 C ATOM 2918 O PRO A 187 -3.466 -24.043 -16.177 1.00 5.96 O ATOM 2919 CB PRO A 187 -2.669 -22.816 -19.090 1.00 6.77 C ATOM 2920 CG PRO A 187 -1.248 -22.889 -19.558 1.00 6.43 C ATOM 2921 CD PRO A 187 -0.626 -21.623 -19.011 1.00 6.09 C ATOM 0 HA PRO A 187 -3.370 -21.777 -17.210 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -3.164 -23.785 -19.155 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -3.254 -22.118 -19.689 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -0.746 -23.779 -19.178 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -1.186 -22.928 -20.646 1.00 6.43 H new ATOM 0 HD2 PRO A 187 0.454 -21.718 -18.901 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -0.806 -20.769 -19.664 1.00 6.09 H new ATOM 2929 N GLY A 188 -1.229 -24.130 -16.546 1.00 6.19 N ATOM 2930 CA GLY A 188 -1.034 -25.327 -15.732 1.00 6.09 C ATOM 2931 C GLY A 188 0.157 -25.255 -14.786 1.00 6.57 C ATOM 2932 O GLY A 188 1.304 -25.094 -15.215 1.00 7.02 O ATOM 0 H GLY A 188 -0.377 -23.757 -16.963 1.00 6.19 H new ATOM 0 HA2 GLY A 188 -1.937 -25.506 -15.148 1.00 6.09 H new ATOM 0 HA3 GLY A 188 -0.907 -26.185 -16.393 1.00 6.09 H new ATOM 2936 N LEU A 189 -0.133 -25.411 -13.487 1.00 6.77 N ATOM 2937 CA LEU A 189 0.892 -25.369 -12.427 1.00 7.51 C ATOM 2938 C LEU A 189 0.969 -26.698 -11.652 1.00 7.90 C ATOM 2939 O LEU A 189 0.044 -27.056 -10.913 1.00 7.97 O ATOM 2940 CB LEU A 189 0.609 -24.207 -11.447 1.00 7.96 C ATOM 2941 CG LEU A 189 0.697 -22.769 -12.033 1.00 8.35 C ATOM 2942 CD1 LEU A 189 -0.236 -21.814 -11.291 1.00 8.85 C ATOM 2943 CD2 LEU A 189 2.129 -22.221 -11.986 1.00 8.99 C ATOM 0 H LEU A 189 -1.079 -25.569 -13.139 1.00 6.77 H new ATOM 0 HA LEU A 189 1.854 -25.207 -12.913 1.00 7.51 H new ATOM 0 HB2 LEU A 189 -0.389 -24.346 -11.032 1.00 7.96 H new ATOM 0 HB3 LEU A 189 1.312 -24.281 -10.617 1.00 7.96 H new ATOM 0 HG LEU A 189 0.386 -22.837 -13.076 1.00 8.35 H new ATOM 0 HD11 LEU A 189 -0.153 -20.816 -11.722 1.00 8.85 H new ATOM 0 HD12 LEU A 189 -1.264 -22.165 -11.383 1.00 8.85 H new ATOM 0 HD13 LEU A 189 0.043 -21.778 -10.238 1.00 8.85 H new ATOM 0 HD21 LEU A 189 2.147 -21.215 -12.404 1.00 8.99 H new ATOM 0 HD22 LEU A 189 2.473 -22.190 -10.952 1.00 8.99 H new ATOM 0 HD23 LEU A 189 2.785 -22.868 -12.568 1.00 8.99 H new ATOM 2955 N GLU A 190 2.091 -27.419 -11.834 1.00 8.45 N ATOM 2956 CA GLU A 190 2.320 -28.712 -11.167 1.00 9.15 C ATOM 2957 C GLU A 190 3.725 -28.776 -10.556 1.00 10.12 C ATOM 2958 O GLU A 190 4.675 -29.124 -11.289 1.00 10.56 O ATOM 2959 CB GLU A 190 2.139 -29.878 -12.162 1.00 9.15 C ATOM 2960 CG GLU A 190 0.687 -30.145 -12.584 1.00 8.88 C ATOM 2961 CD GLU A 190 0.582 -31.244 -13.625 1.00 9.20 C ATOM 2962 OE1 GLU A 190 0.457 -32.424 -13.233 1.00 9.27 O ATOM 2963 OE2 GLU A 190 0.624 -30.925 -14.832 1.00 9.58 O ATOM 2964 OXT GLU A 190 3.860 -28.477 -9.350 1.00 10.60 O ATOM 0 H GLU A 190 2.856 -27.125 -12.441 1.00 8.45 H new ATOM 0 HA GLU A 190 1.584 -28.804 -10.368 1.00 9.15 H new ATOM 0 HB2 GLU A 190 2.730 -29.671 -13.054 1.00 9.15 H new ATOM 0 HB3 GLU A 190 2.545 -30.785 -11.715 1.00 9.15 H new ATOM 0 HG2 GLU A 190 0.101 -30.421 -11.707 1.00 8.88 H new ATOM 0 HG3 GLU A 190 0.252 -29.228 -12.982 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -19.373 6.174 3.249 1.00 1.34 C HETATM 2973 C2 GLC A 191 -17.911 6.272 2.648 1.00 1.55 C HETATM 2974 C3 GLC A 191 -17.484 4.861 2.036 1.00 1.62 C HETATM 2975 C4 GLC A 191 -17.721 3.646 3.044 1.00 1.59 C HETATM 2976 C5 GLC A 191 -19.223 3.666 3.574 1.00 1.39 C HETATM 2977 C6 GLC A 191 -19.532 2.655 4.719 1.00 1.49 C HETATM 2978 O2 GLC A 191 -17.889 7.225 1.582 1.00 1.64 O HETATM 2979 O3 GLC A 191 -16.098 4.912 1.702 1.00 1.88 O HETATM 2980 O4 GLC A 191 -17.440 2.410 2.378 1.00 1.73 O HETATM 2981 O5 GLC A 191 -19.403 5.018 4.180 1.00 1.36 O HETATM 2982 O6 GLC A 191 -20.377 3.139 5.755 1.00 1.50 O HETATM 0 HO6 GLC A 191 -20.924 2.403 6.101 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -16.796 1.893 2.906 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -15.961 5.551 0.972 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -17.073 7.104 1.052 1.00 1.64 H new HETATM 0 H62 GLC A 191 -19.993 1.769 4.282 1.00 1.49 H new HETATM 0 H61 GLC A 191 -18.589 2.337 5.163 1.00 1.49 H new HETATM 0 H5 GLC A 191 -19.871 3.412 2.735 1.00 1.39 H new HETATM 0 H4 GLC A 191 -17.052 3.746 3.899 1.00 1.59 H new HETATM 0 H3 GLC A 191 -18.107 4.683 1.160 1.00 1.62 H new HETATM 0 H2 GLC A 191 -17.230 6.569 3.445 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -23.204 8.638 1.333 1.00 1.56 C HETATM 2995 C3 BGC A 192 -21.808 7.885 1.279 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.663 6.757 2.407 1.00 1.26 C HETATM 2997 C5 BGC A 192 -22.914 5.761 2.300 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.996 4.685 3.428 1.00 1.26 C HETATM 2999 C1 BGC A 192 -24.355 7.584 1.397 1.00 1.63 C HETATM 3000 O1 BGC A 192 -25.581 8.187 1.656 1.00 1.86 O HETATM 3001 O2 BGC A 192 -23.367 9.458 0.175 1.00 1.78 O HETATM 3002 O3 BGC A 192 -20.768 8.844 1.446 1.00 1.54 O HETATM 3003 O4 BGC A 192 -20.381 6.028 2.223 1.00 1.27 O HETATM 3004 O5 BGC A 192 -24.117 6.620 2.492 1.00 1.47 O HETATM 3005 O6 BGC A 192 -24.295 4.439 3.952 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -22.597 3.748 3.040 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -22.346 4.993 4.247 1.00 1.26 H new HETATM 0 HC BGC A 192 -19.905 8.384 1.506 1.00 1.54 H new HETATM 0 HB BGC A 192 -24.232 9.917 0.218 1.00 1.78 H new HETATM 0 HA BGC A 192 -26.282 7.503 1.689 1.00 1.86 H new HETATM 0 H6 BGC A 192 -24.884 5.190 3.732 1.00 1.46 H new HETATM 0 H5 BGC A 192 -22.832 5.234 1.349 1.00 1.30 H new HETATM 0 H4 BGC A 192 -21.654 7.209 3.399 1.00 1.26 H new HETATM 0 H3 BGC A 192 -21.741 7.384 0.313 1.00 1.44 H new HETATM 0 H2 BGC A 192 -23.236 9.272 2.219 1.00 1.56 H new HETATM 0 H1 BGC A 192 -24.373 7.085 0.428 1.00 1.63 H new