USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 CYS SG : rot 180:sc= 0.0171 USER MOD Set 1.2: B 1 MET N :NH3+ -148:sc= 2.38 (180deg=1.47) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.382 (180deg=-1.3!) USER MOD Single : A 1 MET N :NH3+ -107:sc= 1.14 (180deg=-2.01) USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= 1.02 (180deg=-0.5!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -152:sc= -0.923 (180deg=-1.18) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 2:sc= 0.279 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= 0.834 (180deg=0.48) USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= -0.484 (180deg=-1.06) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0395) USER MOD Single : A 51 HIS : no HD1:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : B 1 MET CE :methyl 166:sc= -0.0652 (180deg=-0.351) USER MOD Single : B 2 LYS NZ :NH3+ -163:sc= 1.08 (180deg=0.95) USER MOD Single : B 3 SER OG : rot 170:sc= 0.00777 USER MOD Single : B 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.081) USER MOD Single : B 18 MET CE :methyl -157:sc= -1.7 (180deg=-2.07) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 4:sc= 0.973 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -109:sc= 1.04 (180deg=-0.952) USER MOD Single : B 47 LYS NZ :NH3+ 174:sc= -0.41 (180deg=-0.649) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 174:sc=-0.00626 (180deg=-0.115) USER MOD Single : B 51 HIS : no HD1:sc=-0.00295 X(o=-0.0029,f=-0.0029) USER MOD Single : B 54 CYS SG : rot 137:sc= -3.8! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.491 -11.362 -4.516 1.00 2.66 N ATOM 2 CA MET A 1 -7.533 -12.189 -5.294 1.00 2.32 C ATOM 3 C MET A 1 -6.333 -11.366 -5.756 1.00 1.80 C ATOM 4 O MET A 1 -5.228 -11.568 -5.273 1.00 2.36 O ATOM 5 CB MET A 1 -8.212 -12.841 -6.495 1.00 2.85 C ATOM 6 CG MET A 1 -9.208 -13.927 -6.127 1.00 3.24 C ATOM 7 SD MET A 1 -9.853 -14.779 -7.578 1.00 3.98 S ATOM 8 CE MET A 1 -8.338 -15.433 -8.276 1.00 4.57 C ATOM 0 H1 MET A 1 -8.430 -11.615 -3.509 1.00 2.66 H new ATOM 0 H2 MET A 1 -8.257 -10.356 -4.635 1.00 2.66 H new ATOM 0 H3 MET A 1 -9.457 -11.535 -4.859 1.00 2.66 H new ATOM 0 HA MET A 1 -7.176 -12.975 -4.629 1.00 2.32 H new ATOM 0 HB2 MET A 1 -8.726 -12.071 -7.071 1.00 2.85 H new ATOM 0 HB3 MET A 1 -7.448 -13.268 -7.144 1.00 2.85 H new ATOM 0 HG2 MET A 1 -8.728 -14.650 -5.467 1.00 3.24 H new ATOM 0 HG3 MET A 1 -10.034 -13.486 -5.569 1.00 3.24 H new ATOM 0 HE1 MET A 1 -8.563 -16.323 -8.864 1.00 4.57 H new ATOM 0 HE2 MET A 1 -7.878 -14.681 -8.917 1.00 4.57 H new ATOM 0 HE3 MET A 1 -7.650 -15.694 -7.472 1.00 4.57 H new ATOM 20 N LYS A 2 -6.558 -10.451 -6.705 1.00 1.18 N ATOM 21 CA LYS A 2 -5.505 -9.572 -7.228 1.00 0.75 C ATOM 22 C LYS A 2 -4.221 -10.340 -7.519 1.00 0.67 C ATOM 23 O LYS A 2 -4.116 -11.031 -8.528 1.00 1.02 O ATOM 24 CB LYS A 2 -5.227 -8.416 -6.258 1.00 0.88 C ATOM 25 CG LYS A 2 -6.343 -7.386 -6.214 1.00 0.85 C ATOM 26 CD LYS A 2 -5.830 -5.978 -6.476 1.00 1.06 C ATOM 27 CE LYS A 2 -5.314 -5.811 -7.899 1.00 1.13 C ATOM 28 NZ LYS A 2 -6.396 -5.868 -8.916 1.00 1.88 N ATOM 0 H LYS A 2 -7.472 -10.299 -7.131 1.00 1.18 H new ATOM 0 HA LYS A 2 -5.867 -9.159 -8.170 1.00 0.75 H new ATOM 0 HB2 LYS A 2 -5.075 -8.820 -5.257 1.00 0.88 H new ATOM 0 HB3 LYS A 2 -4.299 -7.923 -6.547 1.00 0.88 H new ATOM 0 HG2 LYS A 2 -7.100 -7.640 -6.956 1.00 0.85 H new ATOM 0 HG3 LYS A 2 -6.829 -7.419 -5.239 1.00 0.85 H new ATOM 0 HD2 LYS A 2 -6.631 -5.261 -6.295 1.00 1.06 H new ATOM 0 HD3 LYS A 2 -5.031 -5.747 -5.772 1.00 1.06 H new ATOM 0 HE2 LYS A 2 -4.794 -4.857 -7.982 1.00 1.13 H new ATOM 0 HE3 LYS A 2 -4.583 -6.592 -8.109 1.00 1.13 H new ATOM 0 HZ1 LYS A 2 -6.086 -5.380 -9.781 1.00 1.88 H new ATOM 0 HZ2 LYS A 2 -6.612 -6.861 -9.137 1.00 1.88 H new ATOM 0 HZ3 LYS A 2 -7.248 -5.403 -8.543 1.00 1.88 H new ATOM 42 N SER A 3 -3.256 -10.215 -6.624 1.00 0.47 N ATOM 43 CA SER A 3 -2.046 -10.999 -6.706 1.00 0.43 C ATOM 44 C SER A 3 -1.726 -11.569 -5.334 1.00 0.35 C ATOM 45 O SER A 3 -1.429 -12.754 -5.186 1.00 0.42 O ATOM 46 CB SER A 3 -0.882 -10.156 -7.233 1.00 0.48 C ATOM 47 OG SER A 3 0.327 -10.889 -7.252 1.00 0.84 O ATOM 0 H SER A 3 -3.292 -9.574 -5.831 1.00 0.47 H new ATOM 0 HA SER A 3 -2.198 -11.819 -7.408 1.00 0.43 H new ATOM 0 HB2 SER A 3 -1.112 -9.807 -8.240 1.00 0.48 H new ATOM 0 HB3 SER A 3 -0.761 -9.271 -6.608 1.00 0.48 H new ATOM 0 HG SER A 3 1.048 -10.321 -7.595 1.00 0.84 H new ATOM 53 N ILE A 4 -1.804 -10.709 -4.327 1.00 0.31 N ATOM 54 CA ILE A 4 -1.608 -11.129 -2.951 1.00 0.29 C ATOM 55 C ILE A 4 -2.931 -11.622 -2.386 1.00 0.30 C ATOM 56 O ILE A 4 -2.979 -12.537 -1.565 1.00 0.36 O ATOM 57 CB ILE A 4 -1.085 -9.970 -2.080 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.215 -9.024 -2.916 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.297 -10.519 -0.900 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.391 -7.883 -2.124 1.00 0.27 C ATOM 0 H ILE A 4 -2.002 -9.715 -4.441 1.00 0.31 H new ATOM 0 HA ILE A 4 -0.866 -11.928 -2.939 1.00 0.29 H new ATOM 0 HB ILE A 4 -1.935 -9.405 -1.698 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.588 -9.598 -3.378 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.818 -8.611 -3.725 1.00 0.30 H new ATOM 0 HG21 ILE A 4 0.068 -9.693 -0.290 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -0.943 -11.157 -0.297 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.549 -11.101 -1.266 1.00 0.32 H new ATOM 0 HD11 ILE A 4 0.992 -7.259 -2.786 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.405 -7.283 -1.684 1.00 0.27 H new ATOM 0 HD13 ILE A 4 1.023 -8.285 -1.332 1.00 0.27 H new ATOM 72 N GLY A 5 -4.002 -11.000 -2.859 1.00 0.32 N ATOM 73 CA GLY A 5 -5.341 -11.384 -2.463 1.00 0.35 C ATOM 74 C GLY A 5 -5.637 -11.030 -1.038 1.00 0.31 C ATOM 75 O GLY A 5 -6.386 -11.729 -0.354 1.00 0.42 O ATOM 0 H GLY A 5 -3.964 -10.224 -3.520 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -6.065 -10.894 -3.114 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.464 -12.458 -2.601 1.00 0.35 H new ATOM 79 N VAL A 6 -5.062 -9.937 -0.595 1.00 0.22 N ATOM 80 CA VAL A 6 -5.241 -9.509 0.771 1.00 0.21 C ATOM 81 C VAL A 6 -5.857 -8.125 0.824 1.00 0.20 C ATOM 82 O VAL A 6 -5.483 -7.224 0.070 1.00 0.24 O ATOM 83 CB VAL A 6 -3.921 -9.525 1.572 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.472 -10.955 1.834 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.836 -8.753 0.844 1.00 0.19 C ATOM 0 H VAL A 6 -4.468 -9.330 -1.159 1.00 0.22 H new ATOM 0 HA VAL A 6 -5.918 -10.226 1.236 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.101 -9.037 2.530 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.540 -10.946 2.400 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.239 -11.478 2.406 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.315 -11.467 0.885 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -1.916 -8.779 1.429 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.659 -9.206 -0.131 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.152 -7.718 0.711 1.00 0.19 H new ATOM 95 N VAL A 7 -6.804 -7.990 1.732 1.00 0.17 N ATOM 96 CA VAL A 7 -7.510 -6.747 1.946 1.00 0.16 C ATOM 97 C VAL A 7 -7.358 -6.341 3.405 1.00 0.19 C ATOM 98 O VAL A 7 -7.378 -7.188 4.300 1.00 0.29 O ATOM 99 CB VAL A 7 -9.007 -6.845 1.546 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.704 -7.968 2.297 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.721 -5.521 1.781 1.00 0.16 C ATOM 0 H VAL A 7 -7.106 -8.747 2.345 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.073 -5.983 1.303 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.050 -7.073 0.481 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.751 -8.012 1.996 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.219 -8.916 2.065 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.642 -7.782 3.369 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.768 -5.616 1.493 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.658 -5.256 2.836 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.249 -4.742 1.182 1.00 0.16 H new ATOM 111 N ARG A 8 -7.152 -5.058 3.636 1.00 0.15 N ATOM 112 CA ARG A 8 -6.895 -4.550 4.968 1.00 0.16 C ATOM 113 C ARG A 8 -7.946 -3.545 5.360 1.00 0.15 C ATOM 114 O ARG A 8 -8.509 -2.858 4.508 1.00 0.16 O ATOM 115 CB ARG A 8 -5.512 -3.897 5.048 1.00 0.16 C ATOM 116 CG ARG A 8 -4.421 -4.830 5.539 1.00 0.25 C ATOM 117 CD ARG A 8 -4.363 -6.111 4.730 1.00 0.34 C ATOM 118 NE ARG A 8 -3.299 -6.995 5.183 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.465 -8.293 5.413 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.659 -8.853 5.246 1.00 0.79 N ATOM 121 NH2 ARG A 8 -2.437 -9.028 5.821 1.00 1.43 N ATOM 0 H ARG A 8 -7.158 -4.343 2.909 1.00 0.15 H new ATOM 0 HA ARG A 8 -6.927 -5.394 5.657 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.240 -3.523 4.061 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.566 -3.035 5.712 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.458 -4.322 5.484 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.595 -5.071 6.588 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.320 -6.629 4.802 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.210 -5.869 3.678 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.373 -6.595 5.332 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.450 -8.286 4.941 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -4.784 -9.850 5.423 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -1.523 -8.596 5.957 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -2.561 -10.025 5.998 1.00 1.43 H new ATOM 135 N LYS A 9 -8.232 -3.491 6.638 1.00 0.17 N ATOM 136 CA LYS A 9 -9.111 -2.480 7.168 1.00 0.18 C ATOM 137 C LYS A 9 -8.283 -1.468 7.943 1.00 0.20 C ATOM 138 O LYS A 9 -7.567 -1.825 8.880 1.00 0.24 O ATOM 139 CB LYS A 9 -10.191 -3.121 8.048 1.00 0.20 C ATOM 140 CG LYS A 9 -10.869 -4.324 7.396 1.00 0.21 C ATOM 141 CD LYS A 9 -11.423 -3.993 6.013 1.00 0.23 C ATOM 142 CE LYS A 9 -11.943 -5.232 5.298 1.00 0.67 C ATOM 143 NZ LYS A 9 -13.196 -5.753 5.905 1.00 1.22 N ATOM 0 H LYS A 9 -7.865 -4.141 7.334 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.623 -1.965 6.355 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.743 -3.433 8.991 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.947 -2.372 8.286 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.153 -5.142 7.313 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.679 -4.674 8.036 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.228 -3.265 6.109 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.642 -3.527 5.411 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.122 -4.995 4.249 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -11.180 -6.010 5.323 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -13.510 -6.596 5.383 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -13.021 -6.006 6.899 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -13.934 -5.022 5.858 1.00 1.22 H new ATOM 157 N VAL A 10 -8.363 -0.218 7.512 1.00 0.19 N ATOM 158 CA VAL A 10 -7.584 0.872 8.083 1.00 0.19 C ATOM 159 C VAL A 10 -7.749 0.948 9.599 1.00 0.20 C ATOM 160 O VAL A 10 -8.822 0.660 10.130 1.00 0.22 O ATOM 161 CB VAL A 10 -8.004 2.219 7.446 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.374 3.397 8.165 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.637 2.252 5.976 1.00 0.24 C ATOM 0 H VAL A 10 -8.976 0.071 6.750 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.534 0.675 7.866 1.00 0.19 H new ATOM 0 HB VAL A 10 -9.086 2.303 7.545 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.692 4.325 7.690 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.689 3.397 9.209 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.288 3.316 8.114 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.940 3.207 5.547 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.559 2.131 5.867 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -8.147 1.442 5.455 1.00 0.24 H new ATOM 173 N ASP A 11 -6.665 1.302 10.288 1.00 0.21 N ATOM 174 CA ASP A 11 -6.718 1.567 11.716 1.00 0.24 C ATOM 175 C ASP A 11 -7.718 2.686 11.995 1.00 0.25 C ATOM 176 O ASP A 11 -8.826 2.429 12.460 1.00 0.33 O ATOM 177 CB ASP A 11 -5.320 1.937 12.226 1.00 0.30 C ATOM 178 CG ASP A 11 -5.331 2.651 13.562 1.00 1.07 C ATOM 179 OD1 ASP A 11 -5.728 2.040 14.576 1.00 1.88 O ATOM 180 OD2 ASP A 11 -4.919 3.830 13.601 1.00 1.75 O ATOM 0 H ASP A 11 -5.739 1.411 9.874 1.00 0.21 H new ATOM 0 HA ASP A 11 -7.049 0.672 12.244 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.722 1.030 12.313 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -4.830 2.572 11.488 1.00 0.30 H new ATOM 185 N GLU A 12 -7.316 3.914 11.678 1.00 0.26 N ATOM 186 CA GLU A 12 -8.178 5.092 11.774 1.00 0.27 C ATOM 187 C GLU A 12 -7.632 6.189 10.870 1.00 0.26 C ATOM 188 O GLU A 12 -8.340 6.723 10.021 1.00 0.30 O ATOM 189 CB GLU A 12 -8.264 5.612 13.222 1.00 0.33 C ATOM 190 CG GLU A 12 -9.133 4.764 14.136 1.00 0.47 C ATOM 191 CD GLU A 12 -9.201 5.297 15.548 1.00 0.91 C ATOM 192 OE1 GLU A 12 -10.035 6.189 15.810 1.00 1.42 O ATOM 193 OE2 GLU A 12 -8.430 4.814 16.408 1.00 1.69 O ATOM 0 H GLU A 12 -6.375 4.123 11.344 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.182 4.808 11.458 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.258 5.662 13.639 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -8.655 6.630 13.209 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -10.141 4.712 13.724 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -8.744 3.746 14.156 1.00 0.47 H new ATOM 200 N LEU A 13 -6.348 6.493 11.041 1.00 0.24 N ATOM 201 CA LEU A 13 -5.713 7.578 10.298 1.00 0.26 C ATOM 202 C LEU A 13 -5.033 7.077 9.020 1.00 0.26 C ATOM 203 O LEU A 13 -4.233 7.790 8.413 1.00 0.55 O ATOM 204 CB LEU A 13 -4.722 8.322 11.205 1.00 0.40 C ATOM 205 CG LEU A 13 -3.628 7.464 11.852 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.343 7.522 11.044 1.00 0.71 C ATOM 207 CD2 LEU A 13 -3.381 7.915 13.282 1.00 0.55 C ATOM 0 H LEU A 13 -5.728 6.004 11.686 1.00 0.24 H new ATOM 0 HA LEU A 13 -6.491 8.274 9.983 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -4.242 9.106 10.619 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -5.285 8.815 11.997 1.00 0.40 H new ATOM 0 HG LEU A 13 -3.969 6.429 11.867 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.583 6.905 11.524 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.529 7.150 10.037 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -1.993 8.553 10.991 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -2.602 7.297 13.729 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.063 8.958 13.285 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -4.300 7.814 13.859 1.00 0.55 H new ATOM 219 N GLY A 14 -5.365 5.857 8.610 1.00 0.21 N ATOM 220 CA GLY A 14 -4.882 5.345 7.336 1.00 0.16 C ATOM 221 C GLY A 14 -3.898 4.194 7.464 1.00 0.12 C ATOM 222 O GLY A 14 -3.471 3.628 6.463 1.00 0.11 O ATOM 0 H GLY A 14 -5.958 5.214 9.134 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.735 5.016 6.742 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.405 6.157 6.787 1.00 0.16 H new ATOM 226 N ARG A 15 -3.546 3.828 8.685 1.00 0.12 N ATOM 227 CA ARG A 15 -2.530 2.796 8.898 1.00 0.13 C ATOM 228 C ARG A 15 -3.101 1.410 8.630 1.00 0.11 C ATOM 229 O ARG A 15 -4.148 1.055 9.171 1.00 0.13 O ATOM 230 CB ARG A 15 -2.006 2.849 10.333 1.00 0.17 C ATOM 231 CG ARG A 15 -1.608 4.238 10.774 1.00 0.21 C ATOM 232 CD ARG A 15 -1.052 4.252 12.190 1.00 0.28 C ATOM 233 NE ARG A 15 -2.079 3.957 13.193 1.00 1.31 N ATOM 234 CZ ARG A 15 -1.817 3.603 14.452 1.00 1.71 C ATOM 235 NH1 ARG A 15 -0.565 3.441 14.864 1.00 1.58 N ATOM 236 NH2 ARG A 15 -2.817 3.403 15.297 1.00 2.72 N ATOM 0 H ARG A 15 -3.940 4.222 9.539 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.712 2.988 8.203 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.773 2.468 11.007 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -1.145 2.186 10.423 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -0.860 4.635 10.088 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.474 4.897 10.719 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.248 3.520 12.270 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -0.615 5.229 12.397 1.00 0.28 H new ATOM 0 HE ARG A 15 -3.057 4.027 12.910 1.00 1.31 H new ATOM 0 HH11 ARG A 15 0.208 3.587 14.215 1.00 1.58 H new ATOM 0 HH12 ARG A 15 -0.377 3.170 15.829 1.00 1.58 H new ATOM 0 HH21 ARG A 15 -3.781 3.520 14.984 1.00 2.72 H new ATOM 0 HH22 ARG A 15 -2.624 3.132 16.261 1.00 2.72 H new ATOM 250 N ILE A 16 -2.419 0.633 7.796 1.00 0.10 N ATOM 251 CA ILE A 16 -2.829 -0.743 7.525 1.00 0.10 C ATOM 252 C ILE A 16 -1.606 -1.661 7.564 1.00 0.09 C ATOM 253 O ILE A 16 -0.492 -1.207 7.821 1.00 0.10 O ATOM 254 CB ILE A 16 -3.569 -0.896 6.164 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.576 -1.022 5.006 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.521 0.268 5.930 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.217 -0.953 3.635 1.00 0.16 C ATOM 0 H ILE A 16 -1.581 0.930 7.296 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.538 -1.028 8.302 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.155 -1.814 6.206 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.834 -0.228 5.089 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.043 -1.968 5.099 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -5.026 0.138 4.973 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.261 0.299 6.730 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.959 1.202 5.920 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.448 -1.050 2.869 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.939 -1.763 3.530 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.726 0.004 3.519 1.00 0.16 H new ATOM 269 N VAL A 17 -1.805 -2.944 7.306 1.00 0.09 N ATOM 270 CA VAL A 17 -0.725 -3.909 7.415 1.00 0.10 C ATOM 271 C VAL A 17 -0.385 -4.507 6.054 1.00 0.11 C ATOM 272 O VAL A 17 -1.178 -5.245 5.462 1.00 0.16 O ATOM 273 CB VAL A 17 -1.040 -5.035 8.439 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.427 -5.616 8.218 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.014 -6.134 8.375 1.00 0.16 C ATOM 0 H VAL A 17 -2.701 -3.339 7.021 1.00 0.09 H new ATOM 0 HA VAL A 17 0.144 -3.366 7.786 1.00 0.10 H new ATOM 0 HB VAL A 17 -1.018 -4.590 9.434 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.614 -6.400 8.951 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.173 -4.829 8.330 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.490 -6.035 7.214 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.227 -6.911 9.100 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.031 -6.564 7.374 1.00 0.16 H new ATOM 0 HG23 VAL A 17 0.993 -5.713 8.605 1.00 0.16 H new ATOM 285 N MET A 18 0.789 -4.165 5.554 1.00 0.09 N ATOM 286 CA MET A 18 1.272 -4.739 4.306 1.00 0.09 C ATOM 287 C MET A 18 1.971 -6.049 4.641 1.00 0.09 C ATOM 288 O MET A 18 2.518 -6.189 5.733 1.00 0.15 O ATOM 289 CB MET A 18 2.233 -3.784 3.588 1.00 0.12 C ATOM 290 CG MET A 18 1.776 -2.331 3.586 1.00 0.17 C ATOM 291 SD MET A 18 0.109 -2.114 2.933 1.00 0.84 S ATOM 292 CE MET A 18 0.317 -2.616 1.225 1.00 0.61 C ATOM 0 H MET A 18 1.425 -3.496 5.989 1.00 0.09 H new ATOM 0 HA MET A 18 0.435 -4.913 3.630 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.212 -3.846 4.063 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.357 -4.117 2.557 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.814 -1.943 4.604 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.472 -1.738 2.993 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.413 -2.099 0.602 1.00 0.61 H new ATOM 0 HE2 MET A 18 1.323 -2.363 0.891 1.00 0.61 H new ATOM 0 HE3 MET A 18 0.167 -3.692 1.141 1.00 0.61 H new ATOM 302 N PRO A 19 1.960 -7.039 3.743 1.00 0.09 N ATOM 303 CA PRO A 19 2.443 -8.359 4.070 1.00 0.11 C ATOM 304 C PRO A 19 3.932 -8.560 3.810 1.00 0.12 C ATOM 305 O PRO A 19 4.613 -7.739 3.165 1.00 0.12 O ATOM 306 CB PRO A 19 1.612 -9.265 3.164 1.00 0.13 C ATOM 307 CG PRO A 19 1.184 -8.418 2.005 1.00 0.14 C ATOM 308 CD PRO A 19 1.492 -6.971 2.354 1.00 0.12 C ATOM 0 HA PRO A 19 2.338 -8.563 5.136 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.197 -10.120 2.826 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.748 -9.661 3.697 1.00 0.13 H new ATOM 0 HG2 PRO A 19 1.712 -8.714 1.099 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.119 -8.546 1.810 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.253 -6.554 1.695 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.608 -6.340 2.260 1.00 0.12 H new ATOM 316 N ILE A 20 4.433 -9.666 4.335 1.00 0.16 N ATOM 317 CA ILE A 20 5.780 -10.116 4.061 1.00 0.18 C ATOM 318 C ILE A 20 6.041 -10.130 2.559 1.00 0.17 C ATOM 319 O ILE A 20 7.141 -9.835 2.122 1.00 0.18 O ATOM 320 CB ILE A 20 6.006 -11.526 4.649 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.429 -12.027 4.382 1.00 0.29 C ATOM 322 CG2 ILE A 20 4.974 -12.504 4.101 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.511 -11.199 5.041 1.00 0.32 C ATOM 0 H ILE A 20 3.912 -10.276 4.965 1.00 0.16 H new ATOM 0 HA ILE A 20 6.477 -9.422 4.532 1.00 0.18 H new ATOM 0 HB ILE A 20 5.882 -11.460 5.730 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.511 -13.056 4.731 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.602 -12.040 3.306 1.00 0.29 H new ATOM 0 HG21 ILE A 20 5.148 -13.493 4.526 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.973 -12.165 4.369 1.00 0.26 H new ATOM 0 HG23 ILE A 20 5.061 -12.555 3.016 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.488 -11.620 4.803 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.459 -10.174 4.674 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.367 -11.206 6.121 1.00 0.32 H new ATOM 335 N GLU A 21 5.006 -10.441 1.786 1.00 0.17 N ATOM 336 CA GLU A 21 5.080 -10.452 0.328 1.00 0.18 C ATOM 337 C GLU A 21 5.588 -9.126 -0.195 1.00 0.16 C ATOM 338 O GLU A 21 6.359 -9.075 -1.145 1.00 0.18 O ATOM 339 CB GLU A 21 3.700 -10.695 -0.243 1.00 0.21 C ATOM 340 CG GLU A 21 2.805 -11.484 0.692 1.00 0.20 C ATOM 341 CD GLU A 21 2.836 -12.974 0.424 1.00 0.35 C ATOM 342 OE1 GLU A 21 3.908 -13.591 0.593 1.00 1.27 O ATOM 343 OE2 GLU A 21 1.782 -13.541 0.069 1.00 0.96 O ATOM 0 H GLU A 21 4.089 -10.694 2.154 1.00 0.17 H new ATOM 0 HA GLU A 21 5.766 -11.243 0.026 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.230 -9.737 -0.465 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.792 -11.231 -1.188 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.112 -11.299 1.722 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.781 -11.124 0.595 1.00 0.20 H new ATOM 350 N LEU A 22 5.152 -8.056 0.451 1.00 0.14 N ATOM 351 CA LEU A 22 5.553 -6.718 0.070 1.00 0.15 C ATOM 352 C LEU A 22 7.023 -6.522 0.384 1.00 0.15 C ATOM 353 O LEU A 22 7.779 -6.004 -0.431 1.00 0.16 O ATOM 354 CB LEU A 22 4.689 -5.681 0.803 1.00 0.18 C ATOM 355 CG LEU A 22 5.378 -4.352 1.131 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.445 -3.187 0.846 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.820 -4.328 2.593 1.00 0.32 C ATOM 0 H LEU A 22 4.516 -8.093 1.247 1.00 0.14 H new ATOM 0 HA LEU A 22 5.406 -6.583 -1.001 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.810 -5.472 0.193 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.334 -6.124 1.733 1.00 0.18 H new ATOM 0 HG LEU A 22 6.260 -4.255 0.498 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.949 -2.250 1.084 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.168 -3.192 -0.208 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.548 -3.282 1.457 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.308 -3.378 2.810 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.949 -4.445 3.238 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.519 -5.144 2.775 1.00 0.32 H new ATOM 369 N ARG A 23 7.424 -6.962 1.569 1.00 0.17 N ATOM 370 CA ARG A 23 8.825 -6.866 1.971 1.00 0.20 C ATOM 371 C ARG A 23 9.720 -7.661 1.030 1.00 0.21 C ATOM 372 O ARG A 23 10.739 -7.157 0.557 1.00 0.23 O ATOM 373 CB ARG A 23 9.010 -7.368 3.409 1.00 0.26 C ATOM 374 CG ARG A 23 8.215 -6.580 4.433 1.00 0.35 C ATOM 375 CD ARG A 23 8.700 -6.844 5.859 1.00 0.43 C ATOM 376 NE ARG A 23 8.148 -8.061 6.450 1.00 0.58 N ATOM 377 CZ ARG A 23 8.623 -8.626 7.565 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.719 -8.151 8.148 1.00 0.82 N ATOM 379 NH2 ARG A 23 8.006 -9.671 8.095 1.00 0.82 N ATOM 0 H ARG A 23 6.808 -7.385 2.264 1.00 0.17 H new ATOM 0 HA ARG A 23 9.113 -5.816 1.920 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.715 -8.416 3.460 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.068 -7.322 3.668 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.295 -5.515 4.214 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.160 -6.843 4.354 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.788 -6.913 5.857 1.00 0.43 H new ATOM 0 HD3 ARG A 23 8.436 -5.993 6.487 1.00 0.43 H new ATOM 0 HE ARG A 23 7.356 -8.505 5.986 1.00 0.58 H new ATOM 0 HH11 ARG A 23 10.204 -7.350 7.745 1.00 0.82 H new ATOM 0 HH12 ARG A 23 10.075 -8.588 8.998 1.00 0.82 H new ATOM 0 HH21 ARG A 23 7.167 -10.046 7.653 1.00 0.82 H new ATOM 0 HH22 ARG A 23 8.370 -10.101 8.946 1.00 0.82 H new ATOM 393 N ARG A 24 9.328 -8.904 0.795 1.00 0.21 N ATOM 394 CA ARG A 24 10.041 -9.817 -0.093 1.00 0.24 C ATOM 395 C ARG A 24 10.127 -9.265 -1.509 1.00 0.23 C ATOM 396 O ARG A 24 11.213 -9.200 -2.086 1.00 0.25 O ATOM 397 CB ARG A 24 9.324 -11.163 -0.108 1.00 0.25 C ATOM 398 CG ARG A 24 9.162 -11.768 1.271 1.00 0.29 C ATOM 399 CD ARG A 24 8.182 -12.931 1.259 1.00 0.33 C ATOM 400 NE ARG A 24 8.780 -14.157 0.743 1.00 0.45 N ATOM 401 CZ ARG A 24 8.080 -15.168 0.231 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.761 -15.070 0.106 1.00 0.87 N ATOM 403 NH2 ARG A 24 8.702 -16.271 -0.165 1.00 0.86 N ATOM 0 H ARG A 24 8.496 -9.314 1.219 1.00 0.21 H new ATOM 0 HA ARG A 24 11.058 -9.936 0.281 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.340 -11.038 -0.561 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.880 -11.857 -0.739 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.131 -12.111 1.635 1.00 0.29 H new ATOM 0 HG3 ARG A 24 8.813 -11.004 1.966 1.00 0.29 H new ATOM 0 HD2 ARG A 24 7.818 -13.106 2.271 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.317 -12.668 0.650 1.00 0.33 H new ATOM 0 HE ARG A 24 9.796 -14.246 0.776 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.282 -14.219 0.402 1.00 0.87 H new ATOM 0 HH12 ARG A 24 6.227 -15.845 -0.286 1.00 0.87 H new ATOM 0 HH21 ARG A 24 9.716 -16.344 -0.077 1.00 0.86 H new ATOM 0 HH22 ARG A 24 8.167 -17.046 -0.557 1.00 0.86 H new ATOM 417 N ALA A 25 8.976 -8.889 -2.068 1.00 0.21 N ATOM 418 CA ALA A 25 8.920 -8.281 -3.392 1.00 0.23 C ATOM 419 C ALA A 25 9.892 -7.120 -3.500 1.00 0.24 C ATOM 420 O ALA A 25 10.639 -6.997 -4.472 1.00 0.27 O ATOM 421 CB ALA A 25 7.514 -7.789 -3.693 1.00 0.23 C ATOM 0 H ALA A 25 8.067 -8.997 -1.619 1.00 0.21 H new ATOM 0 HA ALA A 25 9.200 -9.044 -4.118 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.491 -7.338 -4.685 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.820 -8.629 -3.660 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.221 -7.047 -2.950 1.00 0.23 H new ATOM 427 N LEU A 26 9.885 -6.289 -2.473 1.00 0.24 N ATOM 428 CA LEU A 26 10.669 -5.076 -2.462 1.00 0.27 C ATOM 429 C LEU A 26 12.080 -5.317 -1.934 1.00 0.29 C ATOM 430 O LEU A 26 12.959 -5.759 -2.673 1.00 0.37 O ATOM 431 CB LEU A 26 9.944 -4.022 -1.629 1.00 0.24 C ATOM 432 CG LEU A 26 8.606 -3.561 -2.214 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.923 -2.568 -1.290 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.822 -2.941 -3.580 1.00 0.32 C ATOM 0 H LEU A 26 9.336 -6.439 -1.627 1.00 0.24 H new ATOM 0 HA LEU A 26 10.777 -4.720 -3.487 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.771 -4.422 -0.630 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.595 -3.155 -1.516 1.00 0.24 H new ATOM 0 HG LEU A 26 7.958 -4.432 -2.316 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.975 -2.256 -1.728 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.739 -3.037 -0.324 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.564 -1.697 -1.154 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.865 -2.616 -3.988 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.487 -2.083 -3.489 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.269 -3.678 -4.247 1.00 0.32 H new ATOM 446 N ASP A 27 12.287 -5.053 -0.652 1.00 0.27 N ATOM 447 CA ASP A 27 13.622 -5.115 -0.062 1.00 0.33 C ATOM 448 C ASP A 27 13.534 -4.864 1.441 1.00 0.37 C ATOM 449 O ASP A 27 14.540 -4.610 2.102 1.00 0.59 O ATOM 450 CB ASP A 27 14.522 -4.057 -0.730 1.00 0.40 C ATOM 451 CG ASP A 27 16.002 -4.237 -0.449 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.560 -5.289 -0.835 1.00 1.10 O ATOM 453 OD2 ASP A 27 16.622 -3.316 0.124 1.00 1.37 O ATOM 0 H ASP A 27 11.549 -4.793 0.002 1.00 0.27 H new ATOM 0 HA ASP A 27 14.051 -6.104 -0.225 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.361 -4.087 -1.808 1.00 0.40 H new ATOM 0 HB3 ASP A 27 14.216 -3.068 -0.389 1.00 0.40 H new ATOM 458 N ILE A 28 12.324 -4.975 1.989 1.00 0.28 N ATOM 459 CA ILE A 28 12.081 -4.547 3.364 1.00 0.29 C ATOM 460 C ILE A 28 12.635 -5.557 4.354 1.00 0.28 C ATOM 461 O ILE A 28 12.382 -6.756 4.239 1.00 0.29 O ATOM 462 CB ILE A 28 10.577 -4.312 3.683 1.00 0.31 C ATOM 463 CG1 ILE A 28 10.007 -3.097 2.948 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.376 -4.127 5.179 1.00 0.36 C ATOM 465 CD1 ILE A 28 9.865 -3.281 1.464 1.00 0.37 C ATOM 0 H ILE A 28 11.507 -5.353 1.508 1.00 0.28 H new ATOM 0 HA ILE A 28 12.597 -3.592 3.464 1.00 0.29 H new ATOM 0 HB ILE A 28 10.042 -5.197 3.338 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.030 -2.859 3.368 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.652 -2.238 3.136 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.319 -3.964 5.387 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.715 -5.019 5.705 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.950 -3.265 5.519 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.454 -2.373 1.022 1.00 0.37 H new ATOM 0 HD12 ILE A 28 10.842 -3.487 1.028 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.195 -4.117 1.263 1.00 0.37 H new ATOM 477 N ALA A 29 13.382 -5.064 5.332 1.00 0.31 N ATOM 478 CA ALA A 29 13.914 -5.920 6.373 1.00 0.33 C ATOM 479 C ALA A 29 13.030 -5.849 7.607 1.00 0.34 C ATOM 480 O ALA A 29 12.568 -6.872 8.115 1.00 0.43 O ATOM 481 CB ALA A 29 15.347 -5.533 6.704 1.00 0.34 C ATOM 0 H ALA A 29 13.630 -4.079 5.423 1.00 0.31 H new ATOM 0 HA ALA A 29 13.922 -6.949 6.014 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.729 -6.187 7.488 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.966 -5.635 5.813 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.374 -4.499 7.049 1.00 0.34 H new ATOM 487 N ILE A 30 12.772 -4.636 8.066 1.00 0.29 N ATOM 488 CA ILE A 30 11.926 -4.434 9.233 1.00 0.32 C ATOM 489 C ILE A 30 11.175 -3.108 9.122 1.00 0.34 C ATOM 490 O ILE A 30 10.029 -3.004 9.539 1.00 0.44 O ATOM 491 CB ILE A 30 12.756 -4.517 10.549 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.851 -4.581 11.796 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.747 -3.359 10.649 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.400 -3.237 12.329 1.00 0.39 C ATOM 0 H ILE A 30 13.134 -3.778 7.651 1.00 0.29 H new ATOM 0 HA ILE A 30 11.188 -5.235 9.268 1.00 0.32 H new ATOM 0 HB ILE A 30 13.324 -5.446 10.513 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.969 -5.174 11.556 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.384 -5.108 12.587 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.312 -3.443 11.577 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.433 -3.393 9.802 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.204 -2.414 10.639 1.00 0.31 H new ATOM 0 HD11 ILE A 30 10.769 -3.386 13.205 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.272 -2.644 12.606 1.00 0.39 H new ATOM 0 HD13 ILE A 30 10.834 -2.712 11.560 1.00 0.39 H new ATOM 506 N LYS A 31 11.819 -2.107 8.533 1.00 0.32 N ATOM 507 CA LYS A 31 11.190 -0.807 8.319 1.00 0.37 C ATOM 508 C LYS A 31 11.398 -0.363 6.873 1.00 0.37 C ATOM 509 O LYS A 31 10.472 0.102 6.212 1.00 0.57 O ATOM 510 CB LYS A 31 11.768 0.234 9.286 1.00 0.39 C ATOM 511 CG LYS A 31 11.646 -0.165 10.749 1.00 0.39 C ATOM 512 CD LYS A 31 11.874 1.007 11.688 1.00 0.45 C ATOM 513 CE LYS A 31 10.710 1.984 11.648 1.00 0.46 C ATOM 514 NZ LYS A 31 10.822 3.022 12.705 1.00 0.65 N ATOM 0 H LYS A 31 12.779 -2.170 8.194 1.00 0.32 H new ATOM 0 HA LYS A 31 10.121 -0.896 8.512 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.819 0.396 9.048 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.257 1.184 9.133 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.655 -0.583 10.928 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.368 -0.951 10.970 1.00 0.39 H new ATOM 0 HD2 LYS A 31 12.008 0.639 12.705 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.794 1.523 11.412 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.672 2.464 10.670 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.774 1.439 11.772 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.010 3.668 12.644 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 10.832 2.566 13.640 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 11.703 3.559 12.572 1.00 0.65 H new ATOM 528 N ASP A 32 12.626 -0.541 6.404 1.00 0.24 N ATOM 529 CA ASP A 32 13.019 -0.268 5.019 1.00 0.25 C ATOM 530 C ASP A 32 12.561 1.104 4.495 1.00 0.35 C ATOM 531 O ASP A 32 13.067 2.121 4.962 1.00 0.84 O ATOM 532 CB ASP A 32 12.531 -1.384 4.121 1.00 0.31 C ATOM 533 CG ASP A 32 13.478 -1.625 2.977 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.699 -1.688 3.223 1.00 1.91 O ATOM 535 OD2 ASP A 32 13.012 -1.766 1.836 1.00 1.80 O ATOM 0 H ASP A 32 13.393 -0.885 6.981 1.00 0.24 H new ATOM 0 HA ASP A 32 14.108 -0.229 5.005 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.421 -2.299 4.703 1.00 0.31 H new ATOM 0 HB3 ASP A 32 11.544 -1.134 3.731 1.00 0.31 H new ATOM 540 N SER A 33 11.569 1.128 3.575 1.00 0.25 N ATOM 541 CA SER A 33 11.145 2.344 2.839 1.00 0.19 C ATOM 542 C SER A 33 10.084 1.973 1.797 1.00 0.19 C ATOM 543 O SER A 33 10.383 1.237 0.861 1.00 0.28 O ATOM 544 CB SER A 33 12.295 3.026 2.066 1.00 0.24 C ATOM 545 OG SER A 33 13.327 3.509 2.908 1.00 0.27 O ATOM 0 H SER A 33 11.035 0.297 3.320 1.00 0.25 H new ATOM 0 HA SER A 33 10.770 3.031 3.597 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.718 2.315 1.356 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.891 3.855 1.485 1.00 0.24 H new ATOM 0 HG SER A 33 13.120 3.286 3.840 1.00 0.27 H new ATOM 551 N ILE A 34 8.858 2.467 1.944 1.00 0.16 N ATOM 552 CA ILE A 34 7.838 2.245 0.914 1.00 0.18 C ATOM 553 C ILE A 34 7.149 3.554 0.555 1.00 0.15 C ATOM 554 O ILE A 34 6.552 4.194 1.410 1.00 0.16 O ATOM 555 CB ILE A 34 6.752 1.227 1.334 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.357 -0.005 2.007 1.00 0.46 C ATOM 557 CG2 ILE A 34 5.943 0.802 0.121 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.435 0.114 3.510 1.00 0.58 C ATOM 0 H ILE A 34 8.547 3.013 2.747 1.00 0.16 H new ATOM 0 HA ILE A 34 8.372 1.835 0.057 1.00 0.18 H new ATOM 0 HB ILE A 34 6.102 1.718 2.058 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.761 -0.881 1.749 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.358 -0.172 1.610 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.180 0.085 0.425 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.464 1.676 -0.321 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.603 0.340 -0.613 1.00 0.76 H new ATOM 0 HD11 ILE A 34 7.874 -0.794 3.925 1.00 0.58 H new ATOM 0 HD12 ILE A 34 8.055 0.971 3.775 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.433 0.251 3.917 1.00 0.58 H new ATOM 570 N GLU A 35 7.217 3.935 -0.708 1.00 0.13 N ATOM 571 CA GLU A 35 6.641 5.193 -1.166 1.00 0.13 C ATOM 572 C GLU A 35 5.511 4.908 -2.151 1.00 0.13 C ATOM 573 O GLU A 35 5.608 3.981 -2.963 1.00 0.17 O ATOM 574 CB GLU A 35 7.719 6.070 -1.804 1.00 0.16 C ATOM 575 CG GLU A 35 7.198 7.391 -2.343 1.00 0.23 C ATOM 576 CD GLU A 35 8.236 8.139 -3.145 1.00 0.38 C ATOM 577 OE1 GLU A 35 9.137 7.481 -3.705 1.00 1.21 O ATOM 578 OE2 GLU A 35 8.144 9.384 -3.236 1.00 1.13 O ATOM 0 H GLU A 35 7.668 3.389 -1.442 1.00 0.13 H new ATOM 0 HA GLU A 35 6.232 5.735 -0.314 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.495 6.271 -1.065 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.189 5.517 -2.617 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.325 7.205 -2.969 1.00 0.23 H new ATOM 0 HG3 GLU A 35 6.868 8.014 -1.512 1.00 0.23 H new ATOM 585 N PHE A 36 4.436 5.698 -2.075 1.00 0.13 N ATOM 586 CA PHE A 36 3.220 5.380 -2.818 1.00 0.12 C ATOM 587 C PHE A 36 2.829 6.434 -3.864 1.00 0.14 C ATOM 588 O PHE A 36 3.108 7.631 -3.733 1.00 0.16 O ATOM 589 CB PHE A 36 2.024 5.158 -1.879 1.00 0.15 C ATOM 590 CG PHE A 36 2.381 4.922 -0.441 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.089 3.796 -0.060 1.00 1.24 C ATOM 592 CD2 PHE A 36 1.997 5.826 0.530 1.00 1.11 C ATOM 593 CE1 PHE A 36 3.408 3.578 1.261 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.311 5.612 1.854 1.00 1.06 C ATOM 595 CZ PHE A 36 3.018 4.487 2.220 1.00 0.36 C ATOM 0 H PHE A 36 4.385 6.549 -1.515 1.00 0.13 H new ATOM 0 HA PHE A 36 3.462 4.460 -3.349 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.370 6.028 -1.937 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.452 4.304 -2.240 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.395 3.080 -0.808 1.00 1.24 H new ATOM 0 HD2 PHE A 36 1.445 6.710 0.248 1.00 1.11 H new ATOM 0 HE1 PHE A 36 3.963 2.696 1.545 1.00 1.33 H new ATOM 0 HE2 PHE A 36 2.003 6.325 2.605 1.00 1.06 H new ATOM 0 HZ PHE A 36 3.266 4.318 3.257 1.00 0.36 H new ATOM 605 N PHE A 37 2.164 5.933 -4.900 1.00 0.15 N ATOM 606 CA PHE A 37 1.550 6.726 -5.957 1.00 0.17 C ATOM 607 C PHE A 37 0.053 6.527 -5.855 1.00 0.13 C ATOM 608 O PHE A 37 -0.397 5.554 -5.259 1.00 0.11 O ATOM 609 CB PHE A 37 2.048 6.232 -7.329 1.00 0.20 C ATOM 610 CG PHE A 37 1.776 7.159 -8.492 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.559 7.136 -9.155 1.00 1.13 C ATOM 612 CD2 PHE A 37 2.751 8.039 -8.933 1.00 1.25 C ATOM 613 CE1 PHE A 37 0.318 7.973 -10.228 1.00 1.15 C ATOM 614 CE2 PHE A 37 2.517 8.880 -10.003 1.00 1.26 C ATOM 615 CZ PHE A 37 1.299 8.847 -10.652 1.00 0.33 C ATOM 0 H PHE A 37 2.034 4.930 -5.030 1.00 0.15 H new ATOM 0 HA PHE A 37 1.809 7.780 -5.854 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.123 6.062 -7.266 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.584 5.268 -7.539 1.00 0.20 H new ATOM 0 HD1 PHE A 37 -0.212 6.454 -8.828 1.00 1.13 H new ATOM 0 HD2 PHE A 37 3.708 8.068 -8.433 1.00 1.25 H new ATOM 0 HE1 PHE A 37 -0.636 7.943 -10.734 1.00 1.15 H new ATOM 0 HE2 PHE A 37 3.286 9.563 -10.332 1.00 1.26 H new ATOM 0 HZ PHE A 37 1.114 9.503 -11.489 1.00 0.33 H new ATOM 625 N VAL A 38 -0.715 7.437 -6.399 1.00 0.17 N ATOM 626 CA VAL A 38 -2.151 7.251 -6.453 1.00 0.18 C ATOM 627 C VAL A 38 -2.684 7.568 -7.840 1.00 0.21 C ATOM 628 O VAL A 38 -2.377 8.610 -8.420 1.00 0.25 O ATOM 629 CB VAL A 38 -2.875 8.081 -5.375 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.552 9.566 -5.489 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.381 7.852 -5.423 1.00 0.25 C ATOM 0 H VAL A 38 -0.378 8.308 -6.809 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.355 6.201 -6.242 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.507 7.738 -4.408 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.083 10.115 -4.711 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.479 9.715 -5.371 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.863 9.932 -6.467 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.865 8.451 -4.651 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.762 8.144 -6.401 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.594 6.797 -5.251 1.00 0.25 H new ATOM 641 N ASP A 39 -3.461 6.642 -8.372 1.00 0.24 N ATOM 642 CA ASP A 39 -3.998 6.773 -9.715 1.00 0.30 C ATOM 643 C ASP A 39 -5.504 6.567 -9.705 1.00 0.32 C ATOM 644 O ASP A 39 -5.979 5.432 -9.762 1.00 0.29 O ATOM 645 CB ASP A 39 -3.341 5.755 -10.650 1.00 0.30 C ATOM 646 CG ASP A 39 -3.756 5.947 -12.096 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.220 6.861 -12.757 1.00 1.12 O ATOM 648 OD2 ASP A 39 -4.611 5.177 -12.585 1.00 1.27 O ATOM 0 H ASP A 39 -3.736 5.786 -7.891 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.782 7.778 -10.077 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -2.257 5.840 -10.571 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -3.606 4.747 -10.329 1.00 0.30 H new ATOM 653 N GLY A 40 -6.243 7.666 -9.607 1.00 0.40 N ATOM 654 CA GLY A 40 -7.696 7.606 -9.612 1.00 0.45 C ATOM 655 C GLY A 40 -8.260 6.865 -8.412 1.00 0.39 C ATOM 656 O GLY A 40 -8.577 7.471 -7.388 1.00 0.43 O ATOM 0 H GLY A 40 -5.859 8.607 -9.523 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -8.097 8.620 -9.628 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -8.031 7.116 -10.526 1.00 0.45 H new ATOM 660 N ASP A 41 -8.370 5.551 -8.540 1.00 0.33 N ATOM 661 CA ASP A 41 -8.894 4.706 -7.477 1.00 0.29 C ATOM 662 C ASP A 41 -7.865 3.654 -7.117 1.00 0.21 C ATOM 663 O ASP A 41 -8.202 2.604 -6.570 1.00 0.25 O ATOM 664 CB ASP A 41 -10.177 3.987 -7.904 1.00 0.35 C ATOM 665 CG ASP A 41 -11.336 4.913 -8.198 1.00 0.98 C ATOM 666 OD1 ASP A 41 -11.389 5.475 -9.313 1.00 1.74 O ATOM 667 OD2 ASP A 41 -12.220 5.054 -7.335 1.00 1.72 O ATOM 0 H ASP A 41 -8.099 5.042 -9.381 1.00 0.33 H new ATOM 0 HA ASP A 41 -9.116 5.350 -6.626 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.968 3.391 -8.792 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.471 3.293 -7.116 1.00 0.35 H new ATOM 672 N LYS A 42 -6.615 3.924 -7.441 1.00 0.18 N ATOM 673 CA LYS A 42 -5.550 2.967 -7.213 1.00 0.14 C ATOM 674 C LYS A 42 -4.396 3.594 -6.444 1.00 0.12 C ATOM 675 O LYS A 42 -4.182 4.800 -6.505 1.00 0.14 O ATOM 676 CB LYS A 42 -5.051 2.436 -8.555 1.00 0.12 C ATOM 677 CG LYS A 42 -3.717 1.716 -8.473 1.00 0.18 C ATOM 678 CD LYS A 42 -3.333 1.091 -9.801 1.00 0.40 C ATOM 679 CE LYS A 42 -3.143 2.139 -10.884 1.00 0.53 C ATOM 680 NZ LYS A 42 -2.870 1.520 -12.207 1.00 0.41 N ATOM 0 H LYS A 42 -6.312 4.801 -7.864 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.946 2.148 -6.613 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.796 1.754 -8.965 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.962 3.268 -9.253 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.943 2.419 -8.164 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.768 0.941 -7.708 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.412 0.521 -9.681 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -4.106 0.387 -10.108 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -4.037 2.760 -10.950 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -2.317 2.797 -10.613 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -2.746 2.266 -12.921 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -2.003 0.948 -12.150 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -3.669 0.912 -12.477 1.00 0.41 H new ATOM 694 N ILE A 43 -3.659 2.762 -5.731 1.00 0.10 N ATOM 695 CA ILE A 43 -2.457 3.184 -5.039 1.00 0.09 C ATOM 696 C ILE A 43 -1.292 2.307 -5.487 1.00 0.08 C ATOM 697 O ILE A 43 -1.475 1.129 -5.773 1.00 0.10 O ATOM 698 CB ILE A 43 -2.656 3.101 -3.511 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.673 4.163 -3.058 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.335 3.231 -2.765 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.071 5.347 -2.313 1.00 0.15 C ATOM 0 H ILE A 43 -3.878 1.773 -5.616 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.238 4.223 -5.286 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.054 2.116 -3.267 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.203 4.535 -3.935 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.413 3.686 -2.416 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.515 3.168 -1.692 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.665 2.426 -3.068 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.877 4.192 -3.000 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.863 6.042 -2.034 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.566 4.993 -1.414 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.353 5.855 -2.957 1.00 0.15 H new ATOM 713 N ILE A 44 -0.118 2.894 -5.586 1.00 0.08 N ATOM 714 CA ILE A 44 1.061 2.196 -6.080 1.00 0.09 C ATOM 715 C ILE A 44 2.166 2.276 -5.035 1.00 0.11 C ATOM 716 O ILE A 44 2.377 3.330 -4.467 1.00 0.19 O ATOM 717 CB ILE A 44 1.559 2.841 -7.392 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.360 3.249 -8.257 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.474 1.886 -8.146 1.00 0.19 C ATOM 720 CD1 ILE A 44 0.723 3.859 -9.591 1.00 0.22 C ATOM 0 H ILE A 44 0.051 3.866 -5.328 1.00 0.08 H new ATOM 0 HA ILE A 44 0.800 1.156 -6.273 1.00 0.09 H new ATOM 0 HB ILE A 44 2.136 3.734 -7.152 1.00 0.14 H new ATOM 0 HG12 ILE A 44 -0.261 2.370 -8.431 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.247 3.962 -7.700 1.00 0.19 H new ATOM 0 HG21 ILE A 44 2.814 2.359 -9.067 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.335 1.641 -7.525 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.929 0.973 -8.387 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -0.187 4.116 -10.133 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.316 4.759 -9.430 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.302 3.142 -10.173 1.00 0.22 H new ATOM 732 N LEU A 45 2.872 1.190 -4.776 1.00 0.09 N ATOM 733 CA LEU A 45 3.907 1.195 -3.747 1.00 0.10 C ATOM 734 C LEU A 45 5.218 0.691 -4.312 1.00 0.12 C ATOM 735 O LEU A 45 5.228 -0.173 -5.189 1.00 0.16 O ATOM 736 CB LEU A 45 3.521 0.313 -2.553 1.00 0.11 C ATOM 737 CG LEU A 45 2.642 0.959 -1.479 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.250 1.239 -2.004 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.571 0.074 -0.246 1.00 0.23 C ATOM 0 H LEU A 45 2.753 0.298 -5.257 1.00 0.09 H new ATOM 0 HA LEU A 45 4.014 2.225 -3.408 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.003 -0.567 -2.933 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.437 -0.037 -2.078 1.00 0.11 H new ATOM 0 HG LEU A 45 3.097 1.910 -1.204 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.650 1.698 -1.218 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.312 1.917 -2.855 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.784 0.305 -2.317 1.00 0.17 H new ATOM 0 HD21 LEU A 45 1.942 0.549 0.507 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.146 -0.893 -0.516 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.574 -0.070 0.157 1.00 0.23 H new ATOM 751 N LYS A 46 6.317 1.246 -3.825 1.00 0.15 N ATOM 752 CA LYS A 46 7.637 0.697 -4.125 1.00 0.24 C ATOM 753 C LYS A 46 8.649 1.177 -3.099 1.00 0.25 C ATOM 754 O LYS A 46 8.447 2.199 -2.442 1.00 0.41 O ATOM 755 CB LYS A 46 8.107 1.063 -5.549 1.00 0.45 C ATOM 756 CG LYS A 46 8.791 2.416 -5.668 1.00 0.81 C ATOM 757 CD LYS A 46 7.817 3.565 -5.515 1.00 1.10 C ATOM 758 CE LYS A 46 8.410 4.685 -4.678 1.00 1.19 C ATOM 759 NZ LYS A 46 9.690 5.208 -5.227 1.00 1.52 N ATOM 0 H LYS A 46 6.325 2.070 -3.224 1.00 0.15 H new ATOM 0 HA LYS A 46 7.559 -0.389 -4.076 1.00 0.24 H new ATOM 0 HB2 LYS A 46 8.794 0.292 -5.899 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.245 1.048 -6.216 1.00 0.45 H new ATOM 0 HG2 LYS A 46 9.568 2.497 -4.907 1.00 0.81 H new ATOM 0 HG3 LYS A 46 9.285 2.487 -6.637 1.00 0.81 H new ATOM 0 HD2 LYS A 46 7.546 3.948 -6.499 1.00 1.10 H new ATOM 0 HD3 LYS A 46 6.899 3.207 -5.049 1.00 1.10 H new ATOM 0 HE2 LYS A 46 7.690 5.501 -4.611 1.00 1.19 H new ATOM 0 HE3 LYS A 46 8.577 4.323 -3.664 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 9.864 6.163 -4.853 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 10.470 4.579 -4.948 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 9.632 5.248 -6.265 1.00 1.52 H new ATOM 773 N LYS A 47 9.723 0.423 -2.954 1.00 0.23 N ATOM 774 CA LYS A 47 10.825 0.813 -2.084 1.00 0.25 C ATOM 775 C LYS A 47 11.477 2.072 -2.661 1.00 0.27 C ATOM 776 O LYS A 47 11.479 2.264 -3.878 1.00 0.39 O ATOM 777 CB LYS A 47 11.823 -0.350 -1.979 1.00 0.33 C ATOM 778 CG LYS A 47 12.645 -0.386 -0.695 1.00 0.40 C ATOM 779 CD LYS A 47 13.747 0.657 -0.676 1.00 0.44 C ATOM 780 CE LYS A 47 14.670 0.497 0.523 1.00 0.77 C ATOM 781 NZ LYS A 47 15.253 -0.869 0.619 1.00 0.53 N ATOM 0 H LYS A 47 9.859 -0.469 -3.429 1.00 0.23 H new ATOM 0 HA LYS A 47 10.470 1.038 -1.078 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.274 -1.288 -2.067 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.506 -0.300 -2.827 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.986 -0.228 0.158 1.00 0.40 H new ATOM 0 HG3 LYS A 47 13.085 -1.376 -0.578 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.330 0.583 -1.594 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.303 1.652 -0.660 1.00 0.44 H new ATOM 0 HE2 LYS A 47 15.476 1.228 0.456 1.00 0.77 H new ATOM 0 HE3 LYS A 47 14.115 0.716 1.435 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 16.009 -0.874 1.333 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 14.512 -1.544 0.895 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.646 -1.144 -0.304 1.00 0.53 H new ATOM 795 N TYR A 48 12.016 2.928 -1.801 1.00 0.23 N ATOM 796 CA TYR A 48 12.516 4.227 -2.241 1.00 0.29 C ATOM 797 C TYR A 48 13.773 4.076 -3.096 1.00 0.38 C ATOM 798 O TYR A 48 13.840 4.587 -4.213 1.00 0.41 O ATOM 799 CB TYR A 48 12.804 5.117 -1.031 1.00 0.36 C ATOM 800 CG TYR A 48 13.329 6.484 -1.406 1.00 0.53 C ATOM 801 CD1 TYR A 48 12.506 7.423 -2.014 1.00 1.37 C ATOM 802 CD2 TYR A 48 14.651 6.833 -1.158 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.986 8.669 -2.367 1.00 1.49 C ATOM 804 CE2 TYR A 48 15.137 8.077 -1.507 1.00 1.26 C ATOM 805 CZ TYR A 48 14.302 8.990 -2.111 1.00 0.93 C ATOM 806 OH TYR A 48 14.789 10.229 -2.465 1.00 1.14 O ATOM 0 H TYR A 48 12.118 2.749 -0.802 1.00 0.23 H new ATOM 0 HA TYR A 48 11.746 4.695 -2.854 1.00 0.29 H new ATOM 0 HB2 TYR A 48 11.890 5.234 -0.449 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.530 4.620 -0.388 1.00 0.36 H new ATOM 0 HD1 TYR A 48 11.474 7.175 -2.214 1.00 1.37 H new ATOM 0 HD2 TYR A 48 15.309 6.119 -0.684 1.00 1.15 H new ATOM 0 HE1 TYR A 48 12.334 9.388 -2.841 1.00 1.49 H new ATOM 0 HE2 TYR A 48 16.167 8.333 -1.307 1.00 1.26 H new ATOM 0 HH TYR A 48 15.734 10.293 -2.213 1.00 1.14 H new ATOM 816 N LYS A 49 14.754 3.377 -2.544 1.00 0.45 N ATOM 817 CA LYS A 49 16.050 3.166 -3.191 1.00 0.63 C ATOM 818 C LYS A 49 15.932 2.607 -4.631 1.00 0.71 C ATOM 819 O LYS A 49 16.415 3.241 -5.570 1.00 0.82 O ATOM 820 CB LYS A 49 16.897 2.239 -2.316 1.00 0.70 C ATOM 821 CG LYS A 49 18.360 2.160 -2.717 1.00 0.99 C ATOM 822 CD LYS A 49 19.065 3.496 -2.545 1.00 1.63 C ATOM 823 CE LYS A 49 20.573 3.350 -2.674 1.00 2.21 C ATOM 824 NZ LYS A 49 20.975 2.787 -3.990 1.00 3.15 N ATOM 0 H LYS A 49 14.677 2.935 -1.628 1.00 0.45 H new ATOM 0 HA LYS A 49 16.533 4.138 -3.291 1.00 0.63 H new ATOM 0 HB2 LYS A 49 16.834 2.578 -1.282 1.00 0.70 H new ATOM 0 HB3 LYS A 49 16.469 1.237 -2.349 1.00 0.70 H new ATOM 0 HG2 LYS A 49 18.862 1.404 -2.114 1.00 0.99 H new ATOM 0 HG3 LYS A 49 18.435 1.840 -3.756 1.00 0.99 H new ATOM 0 HD2 LYS A 49 18.701 4.200 -3.294 1.00 1.63 H new ATOM 0 HD3 LYS A 49 18.821 3.915 -1.569 1.00 1.63 H new ATOM 0 HE2 LYS A 49 21.043 4.324 -2.539 1.00 2.21 H new ATOM 0 HE3 LYS A 49 20.943 2.705 -1.877 1.00 2.21 H new ATOM 0 HZ1 LYS A 49 22.012 2.801 -4.071 1.00 3.15 H new ATOM 0 HZ2 LYS A 49 20.634 1.807 -4.067 1.00 3.15 H new ATOM 0 HZ3 LYS A 49 20.560 3.359 -4.753 1.00 3.15 H new ATOM 838 N PRO A 50 15.310 1.417 -4.840 1.00 0.73 N ATOM 839 CA PRO A 50 15.204 0.808 -6.175 1.00 0.90 C ATOM 840 C PRO A 50 14.496 1.702 -7.187 1.00 1.00 C ATOM 841 O PRO A 50 13.484 2.334 -6.873 1.00 1.56 O ATOM 842 CB PRO A 50 14.387 -0.465 -5.936 1.00 0.99 C ATOM 843 CG PRO A 50 14.566 -0.764 -4.493 1.00 0.85 C ATOM 844 CD PRO A 50 14.676 0.571 -3.818 1.00 0.65 C ATOM 0 HA PRO A 50 16.191 0.628 -6.601 1.00 0.90 H new ATOM 0 HB2 PRO A 50 13.336 -0.312 -6.181 1.00 0.99 H new ATOM 0 HB3 PRO A 50 14.743 -1.286 -6.558 1.00 0.99 H new ATOM 0 HG2 PRO A 50 13.722 -1.333 -4.102 1.00 0.85 H new ATOM 0 HG3 PRO A 50 15.460 -1.364 -4.324 1.00 0.85 H new ATOM 0 HD2 PRO A 50 13.699 0.956 -3.527 1.00 0.65 H new ATOM 0 HD3 PRO A 50 15.279 0.515 -2.912 1.00 0.65 H new ATOM 852 N HIS A 51 15.051 1.734 -8.401 1.00 1.42 N ATOM 853 CA HIS A 51 14.530 2.527 -9.522 1.00 1.56 C ATOM 854 C HIS A 51 14.988 3.980 -9.432 1.00 1.82 C ATOM 855 O HIS A 51 14.996 4.693 -10.437 1.00 2.35 O ATOM 856 CB HIS A 51 13.001 2.445 -9.644 1.00 2.08 C ATOM 857 CG HIS A 51 12.501 1.110 -10.112 1.00 3.08 C ATOM 858 ND1 HIS A 51 12.000 0.151 -9.258 1.00 3.93 N ATOM 859 CD2 HIS A 51 12.408 0.586 -11.357 1.00 3.73 C ATOM 860 CE1 HIS A 51 11.620 -0.904 -9.958 1.00 4.77 C ATOM 861 NE2 HIS A 51 11.857 -0.667 -11.235 1.00 4.67 N ATOM 0 H HIS A 51 15.888 1.202 -8.639 1.00 1.42 H new ATOM 0 HA HIS A 51 14.946 2.089 -10.429 1.00 1.56 H new ATOM 0 HB2 HIS A 51 12.556 2.670 -8.675 1.00 2.08 H new ATOM 0 HB3 HIS A 51 12.660 3.214 -10.337 1.00 2.08 H new ATOM 0 HD2 HIS A 51 12.711 1.065 -12.277 1.00 3.73 H new ATOM 0 HE1 HIS A 51 11.188 -1.808 -9.553 1.00 4.77 H new ATOM 0 HE2 HIS A 51 11.663 -1.308 -12.004 1.00 4.67 H new ATOM 870 N GLY A 52 15.368 4.417 -8.235 1.00 2.13 N ATOM 871 CA GLY A 52 15.919 5.751 -8.071 1.00 2.84 C ATOM 872 C GLY A 52 14.866 6.834 -8.092 1.00 2.91 C ATOM 873 O GLY A 52 14.605 7.492 -7.081 1.00 3.15 O ATOM 0 H GLY A 52 15.304 3.871 -7.376 1.00 2.13 H new ATOM 0 HA2 GLY A 52 16.463 5.800 -7.128 1.00 2.84 H new ATOM 0 HA3 GLY A 52 16.641 5.939 -8.865 1.00 2.84 H new ATOM 877 N VAL A 53 14.284 7.030 -9.262 1.00 3.09 N ATOM 878 CA VAL A 53 13.247 8.031 -9.456 1.00 3.28 C ATOM 879 C VAL A 53 12.012 7.698 -8.621 1.00 2.62 C ATOM 880 O VAL A 53 11.625 6.532 -8.480 1.00 2.42 O ATOM 881 CB VAL A 53 12.863 8.170 -10.951 1.00 4.14 C ATOM 882 CG1 VAL A 53 12.291 6.871 -11.499 1.00 4.29 C ATOM 883 CG2 VAL A 53 11.886 9.320 -11.156 1.00 4.59 C ATOM 0 H VAL A 53 14.515 6.502 -10.103 1.00 3.09 H new ATOM 0 HA VAL A 53 13.649 8.988 -9.123 1.00 3.28 H new ATOM 0 HB VAL A 53 13.774 8.393 -11.507 1.00 4.14 H new ATOM 0 HG11 VAL A 53 12.032 7.002 -12.550 1.00 4.29 H new ATOM 0 HG12 VAL A 53 13.033 6.078 -11.405 1.00 4.29 H new ATOM 0 HG13 VAL A 53 11.398 6.601 -10.936 1.00 4.29 H new ATOM 0 HG21 VAL A 53 11.632 9.397 -12.213 1.00 4.59 H new ATOM 0 HG22 VAL A 53 10.981 9.136 -10.577 1.00 4.59 H new ATOM 0 HG23 VAL A 53 12.345 10.251 -10.824 1.00 4.59 H new ATOM 893 N CYS A 54 11.400 8.725 -8.067 1.00 2.51 N ATOM 894 CA CYS A 54 10.275 8.548 -7.176 1.00 1.97 C ATOM 895 C CYS A 54 9.095 9.390 -7.630 1.00 1.82 C ATOM 896 O CYS A 54 8.180 8.835 -8.260 1.00 2.05 O ATOM 897 CB CYS A 54 10.683 8.906 -5.744 1.00 2.32 C ATOM 898 SG CYS A 54 11.576 10.472 -5.585 1.00 3.01 S ATOM 899 OXT CYS A 54 9.089 10.603 -7.356 1.00 2.32 O ATOM 0 H CYS A 54 11.667 9.697 -8.221 1.00 2.51 H new ATOM 0 HA CYS A 54 9.968 7.502 -7.199 1.00 1.97 H new ATOM 0 HB2 CYS A 54 9.787 8.949 -5.125 1.00 2.32 H new ATOM 0 HB3 CYS A 54 11.307 8.105 -5.347 1.00 2.32 H new ATOM 0 HG CYS A 54 11.871 10.679 -4.336 1.00 3.01 H new TER 905 CYS A 54 ATOM 906 N MET B 1 8.635 11.445 -4.853 1.00 2.50 N ATOM 907 CA MET B 1 7.635 12.461 -5.256 1.00 2.21 C ATOM 908 C MET B 1 6.354 11.782 -5.726 1.00 1.71 C ATOM 909 O MET B 1 5.262 12.153 -5.298 1.00 2.31 O ATOM 910 CB MET B 1 8.205 13.344 -6.369 1.00 2.56 C ATOM 911 CG MET B 1 9.518 14.015 -5.997 1.00 3.07 C ATOM 912 SD MET B 1 10.288 14.870 -7.385 1.00 3.74 S ATOM 913 CE MET B 1 9.044 16.101 -7.763 1.00 4.38 C ATOM 0 H1 MET B 1 9.223 11.823 -4.083 1.00 2.50 H new ATOM 0 H2 MET B 1 8.146 10.587 -4.526 1.00 2.50 H new ATOM 0 H3 MET B 1 9.239 11.211 -5.667 1.00 2.50 H new ATOM 0 HA MET B 1 7.402 13.087 -4.395 1.00 2.21 H new ATOM 0 HB2 MET B 1 8.356 12.737 -7.262 1.00 2.56 H new ATOM 0 HB3 MET B 1 7.474 14.111 -6.624 1.00 2.56 H new ATOM 0 HG2 MET B 1 9.340 14.727 -5.191 1.00 3.07 H new ATOM 0 HG3 MET B 1 10.208 13.264 -5.612 1.00 3.07 H new ATOM 0 HE1 MET B 1 9.469 16.857 -8.423 1.00 4.38 H new ATOM 0 HE2 MET B 1 8.198 15.623 -8.256 1.00 4.38 H new ATOM 0 HE3 MET B 1 8.707 16.573 -6.840 1.00 4.38 H new ATOM 925 N LYS B 2 6.503 10.795 -6.614 1.00 1.10 N ATOM 926 CA LYS B 2 5.398 9.934 -7.040 1.00 0.64 C ATOM 927 C LYS B 2 4.136 10.736 -7.354 1.00 0.56 C ATOM 928 O LYS B 2 4.106 11.546 -8.277 1.00 1.00 O ATOM 929 CB LYS B 2 5.100 8.890 -5.953 1.00 0.80 C ATOM 930 CG LYS B 2 6.214 7.880 -5.749 1.00 0.68 C ATOM 931 CD LYS B 2 5.850 6.502 -6.295 1.00 0.88 C ATOM 932 CE LYS B 2 5.573 6.514 -7.792 1.00 1.04 C ATOM 933 NZ LYS B 2 6.803 6.721 -8.602 1.00 1.73 N ATOM 0 H LYS B 2 7.394 10.571 -7.058 1.00 1.10 H new ATOM 0 HA LYS B 2 5.705 9.432 -7.958 1.00 0.64 H new ATOM 0 HB2 LYS B 2 4.912 9.404 -5.011 1.00 0.80 H new ATOM 0 HB3 LYS B 2 4.185 8.359 -6.214 1.00 0.80 H new ATOM 0 HG2 LYS B 2 7.119 8.236 -6.240 1.00 0.68 H new ATOM 0 HG3 LYS B 2 6.439 7.800 -4.686 1.00 0.68 H new ATOM 0 HD2 LYS B 2 6.664 5.807 -6.086 1.00 0.88 H new ATOM 0 HD3 LYS B 2 4.970 6.129 -5.770 1.00 0.88 H new ATOM 0 HE2 LYS B 2 5.109 5.571 -8.079 1.00 1.04 H new ATOM 0 HE3 LYS B 2 4.857 7.304 -8.018 1.00 1.04 H new ATOM 0 HZ1 LYS B 2 6.539 7.006 -9.567 1.00 1.73 H new ATOM 0 HZ2 LYS B 2 7.384 7.466 -8.167 1.00 1.73 H new ATOM 0 HZ3 LYS B 2 7.347 5.836 -8.639 1.00 1.73 H new ATOM 947 N SER B 3 3.098 10.489 -6.574 1.00 0.56 N ATOM 948 CA SER B 3 1.864 11.241 -6.669 1.00 0.42 C ATOM 949 C SER B 3 1.527 11.794 -5.295 1.00 0.34 C ATOM 950 O SER B 3 1.052 12.917 -5.159 1.00 0.45 O ATOM 951 CB SER B 3 0.736 10.346 -7.185 1.00 0.50 C ATOM 952 OG SER B 3 -0.459 11.072 -7.395 1.00 0.75 O ATOM 0 H SER B 3 3.089 9.762 -5.859 1.00 0.56 H new ATOM 0 HA SER B 3 1.983 12.065 -7.373 1.00 0.42 H new ATOM 0 HB2 SER B 3 1.044 9.876 -8.119 1.00 0.50 H new ATOM 0 HB3 SER B 3 0.553 9.544 -6.470 1.00 0.50 H new ATOM 0 HG SER B 3 -1.104 10.509 -7.872 1.00 0.75 H new ATOM 958 N ILE B 4 1.785 10.985 -4.278 1.00 0.30 N ATOM 959 CA ILE B 4 1.669 11.427 -2.904 1.00 0.28 C ATOM 960 C ILE B 4 3.037 11.900 -2.428 1.00 0.31 C ATOM 961 O ILE B 4 3.170 12.936 -1.777 1.00 0.37 O ATOM 962 CB ILE B 4 1.170 10.292 -1.990 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.081 9.479 -2.698 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.643 10.872 -0.687 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.419 8.298 -1.896 1.00 0.28 C ATOM 0 H ILE B 4 2.078 10.014 -4.384 1.00 0.30 H new ATOM 0 HA ILE B 4 0.943 12.239 -2.856 1.00 0.28 H new ATOM 0 HB ILE B 4 2.002 9.625 -1.765 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.760 10.135 -2.924 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.470 9.120 -3.651 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.292 10.064 -0.045 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.441 11.416 -0.182 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.182 11.552 -0.899 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -1.188 7.772 -2.463 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.409 7.620 -1.692 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.840 8.650 -0.954 1.00 0.28 H new ATOM 977 N GLY B 5 4.051 11.116 -2.781 1.00 0.33 N ATOM 978 CA GLY B 5 5.425 11.476 -2.490 1.00 0.38 C ATOM 979 C GLY B 5 5.829 11.109 -1.085 1.00 0.34 C ATOM 980 O GLY B 5 6.853 11.571 -0.579 1.00 0.46 O ATOM 0 H GLY B 5 3.942 10.227 -3.269 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.086 10.976 -3.198 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.555 12.549 -2.634 1.00 0.38 H new ATOM 984 N VAL B 6 5.031 10.266 -0.460 1.00 0.24 N ATOM 985 CA VAL B 6 5.285 9.872 0.912 1.00 0.22 C ATOM 986 C VAL B 6 5.878 8.478 0.976 1.00 0.21 C ATOM 987 O VAL B 6 5.477 7.583 0.235 1.00 0.25 O ATOM 988 CB VAL B 6 4.014 9.931 1.787 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.545 11.369 1.948 1.00 0.26 C ATOM 990 CG2 VAL B 6 2.906 9.071 1.199 1.00 0.20 C ATOM 0 H VAL B 6 4.203 9.842 -0.879 1.00 0.24 H new ATOM 0 HA VAL B 6 6.001 10.591 1.310 1.00 0.22 H new ATOM 0 HB VAL B 6 4.262 9.534 2.771 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.648 11.392 2.567 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.330 11.957 2.424 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.320 11.790 0.968 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.023 9.131 1.835 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.659 9.429 0.200 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.241 8.036 1.140 1.00 0.20 H new ATOM 1000 N VAL B 7 6.823 8.307 1.881 1.00 0.18 N ATOM 1001 CA VAL B 7 7.477 7.028 2.065 1.00 0.16 C ATOM 1002 C VAL B 7 7.290 6.590 3.506 1.00 0.18 C ATOM 1003 O VAL B 7 7.324 7.410 4.426 1.00 0.23 O ATOM 1004 CB VAL B 7 8.980 7.068 1.680 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.787 7.924 2.645 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.551 5.658 1.587 1.00 0.19 C ATOM 0 H VAL B 7 7.156 9.044 2.503 1.00 0.18 H new ATOM 0 HA VAL B 7 7.017 6.303 1.394 1.00 0.16 H new ATOM 0 HB VAL B 7 9.056 7.533 0.697 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.834 7.926 2.341 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.404 8.944 2.634 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.702 7.515 3.652 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.606 5.710 1.316 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.448 5.159 2.551 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.008 5.095 0.828 1.00 0.19 H new ATOM 1016 N ARG B 8 7.041 5.312 3.700 1.00 0.15 N ATOM 1017 CA ARG B 8 6.704 4.796 5.006 1.00 0.16 C ATOM 1018 C ARG B 8 7.718 3.780 5.448 1.00 0.16 C ATOM 1019 O ARG B 8 8.288 3.054 4.633 1.00 0.16 O ATOM 1020 CB ARG B 8 5.306 4.171 5.003 1.00 0.16 C ATOM 1021 CG ARG B 8 4.215 5.126 5.455 1.00 0.18 C ATOM 1022 CD ARG B 8 4.229 6.407 4.647 1.00 0.23 C ATOM 1023 NE ARG B 8 3.364 7.440 5.212 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.811 8.615 5.654 1.00 0.51 C ATOM 1025 NH1 ARG B 8 5.115 8.884 5.637 1.00 0.80 N ATOM 1026 NH2 ARG B 8 2.957 9.518 6.115 1.00 0.82 N ATOM 0 H ARG B 8 7.067 4.608 2.962 1.00 0.15 H new ATOM 0 HA ARG B 8 6.709 5.630 5.708 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.076 3.819 3.997 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.306 3.297 5.654 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.243 4.643 5.356 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.349 5.359 6.511 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.250 6.785 4.590 1.00 0.23 H new ATOM 0 HD3 ARG B 8 3.912 6.192 3.627 1.00 0.23 H new ATOM 0 HE ARG B 8 2.363 7.252 5.271 1.00 0.50 H new ATOM 0 HH11 ARG B 8 5.774 8.190 5.285 1.00 0.80 H new ATOM 0 HH12 ARG B 8 5.454 9.784 5.976 1.00 0.80 H new ATOM 0 HH21 ARG B 8 1.958 9.313 6.131 1.00 0.82 H new ATOM 0 HH22 ARG B 8 3.299 10.417 6.453 1.00 0.82 H new ATOM 1040 N LYS B 9 7.964 3.757 6.733 1.00 0.18 N ATOM 1041 CA LYS B 9 8.841 2.776 7.313 1.00 0.19 C ATOM 1042 C LYS B 9 8.004 1.739 8.038 1.00 0.19 C ATOM 1043 O LYS B 9 7.196 2.080 8.905 1.00 0.23 O ATOM 1044 CB LYS B 9 9.836 3.452 8.254 1.00 0.22 C ATOM 1045 CG LYS B 9 10.628 4.575 7.587 1.00 0.25 C ATOM 1046 CD LYS B 9 11.221 4.128 6.255 1.00 0.25 C ATOM 1047 CE LYS B 9 12.080 5.206 5.611 1.00 0.68 C ATOM 1048 NZ LYS B 9 13.311 5.489 6.395 1.00 0.91 N ATOM 0 H LYS B 9 7.564 4.414 7.402 1.00 0.18 H new ATOM 0 HA LYS B 9 9.417 2.278 6.533 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.298 3.856 9.112 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.530 2.704 8.636 1.00 0.22 H new ATOM 0 HG2 LYS B 9 9.977 5.434 7.426 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.428 4.901 8.251 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.823 3.233 6.411 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.414 3.855 5.575 1.00 0.25 H new ATOM 0 HE2 LYS B 9 12.357 4.894 4.604 1.00 0.68 H new ATOM 0 HE3 LYS B 9 11.497 6.121 5.512 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 13.936 6.114 5.846 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 13.054 5.955 7.289 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 13.805 4.597 6.599 1.00 0.91 H new ATOM 1062 N VAL B 10 8.172 0.489 7.641 1.00 0.18 N ATOM 1063 CA VAL B 10 7.405 -0.617 8.193 1.00 0.19 C ATOM 1064 C VAL B 10 7.519 -0.670 9.715 1.00 0.20 C ATOM 1065 O VAL B 10 8.573 -0.386 10.280 1.00 0.23 O ATOM 1066 CB VAL B 10 7.871 -1.961 7.582 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.286 -3.138 8.331 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.496 -2.038 6.114 1.00 0.25 C ATOM 0 H VAL B 10 8.844 0.211 6.926 1.00 0.18 H new ATOM 0 HA VAL B 10 6.359 -0.452 7.935 1.00 0.19 H new ATOM 0 HB VAL B 10 8.956 -2.007 7.672 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.632 -4.067 7.877 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.606 -3.102 9.372 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.198 -3.095 8.284 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.832 -2.990 5.702 1.00 0.25 H new ATOM 0 HG22 VAL B 10 6.414 -1.959 6.010 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.973 -1.220 5.573 1.00 0.25 H new ATOM 1078 N ASP B 11 6.403 -0.974 10.368 1.00 0.20 N ATOM 1079 CA ASP B 11 6.387 -1.255 11.796 1.00 0.21 C ATOM 1080 C ASP B 11 7.366 -2.386 12.118 1.00 0.22 C ATOM 1081 O ASP B 11 8.448 -2.140 12.640 1.00 0.25 O ATOM 1082 CB ASP B 11 4.952 -1.609 12.216 1.00 0.26 C ATOM 1083 CG ASP B 11 4.851 -2.316 13.551 1.00 1.13 C ATOM 1084 OD1 ASP B 11 5.076 -1.679 14.596 1.00 1.86 O ATOM 1085 OD2 ASP B 11 4.511 -3.520 13.551 1.00 1.95 O ATOM 0 H ASP B 11 5.487 -1.032 9.923 1.00 0.20 H new ATOM 0 HA ASP B 11 6.707 -0.378 12.358 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.361 -0.694 12.257 1.00 0.26 H new ATOM 0 HB3 ASP B 11 4.507 -2.242 11.448 1.00 0.26 H new ATOM 1090 N GLU B 12 6.969 -3.610 11.783 1.00 0.25 N ATOM 1091 CA GLU B 12 7.830 -4.795 11.886 1.00 0.28 C ATOM 1092 C GLU B 12 7.309 -5.848 10.923 1.00 0.28 C ATOM 1093 O GLU B 12 8.013 -6.310 10.026 1.00 0.32 O ATOM 1094 CB GLU B 12 7.816 -5.396 13.300 1.00 0.31 C ATOM 1095 CG GLU B 12 8.312 -4.469 14.387 1.00 0.35 C ATOM 1096 CD GLU B 12 8.245 -5.102 15.756 1.00 0.38 C ATOM 1097 OE1 GLU B 12 7.190 -4.986 16.414 1.00 1.20 O ATOM 1098 OE2 GLU B 12 9.246 -5.712 16.182 1.00 1.11 O ATOM 0 H GLU B 12 6.034 -3.814 11.429 1.00 0.25 H new ATOM 0 HA GLU B 12 8.851 -4.493 11.651 1.00 0.28 H new ATOM 0 HB2 GLU B 12 6.798 -5.702 13.540 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.429 -6.297 13.303 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.341 -4.180 14.173 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.717 -3.556 14.382 1.00 0.35 H new ATOM 1105 N LEU B 13 6.043 -6.194 11.127 1.00 0.26 N ATOM 1106 CA LEU B 13 5.345 -7.192 10.322 1.00 0.25 C ATOM 1107 C LEU B 13 5.233 -6.740 8.869 1.00 0.21 C ATOM 1108 O LEU B 13 5.272 -7.544 7.942 1.00 0.24 O ATOM 1109 CB LEU B 13 3.932 -7.375 10.873 1.00 0.27 C ATOM 1110 CG LEU B 13 3.824 -7.560 12.383 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.396 -7.290 12.827 1.00 0.64 C ATOM 1112 CD2 LEU B 13 4.255 -8.963 12.785 1.00 0.62 C ATOM 0 H LEU B 13 5.466 -5.786 11.863 1.00 0.26 H new ATOM 0 HA LEU B 13 5.909 -8.124 10.366 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.337 -6.507 10.589 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.483 -8.241 10.387 1.00 0.27 H new ATOM 0 HG LEU B 13 4.490 -6.852 12.876 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.319 -7.422 13.906 1.00 0.64 H new ATOM 0 HD12 LEU B 13 2.121 -6.268 12.566 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.722 -7.986 12.327 1.00 0.64 H new ATOM 0 HD21 LEU B 13 4.170 -9.074 13.866 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.614 -9.695 12.294 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.290 -9.126 12.483 1.00 0.62 H new ATOM 1124 N GLY B 14 5.084 -5.440 8.694 1.00 0.17 N ATOM 1125 CA GLY B 14 4.803 -4.884 7.386 1.00 0.14 C ATOM 1126 C GLY B 14 3.748 -3.802 7.472 1.00 0.10 C ATOM 1127 O GLY B 14 3.331 -3.240 6.466 1.00 0.09 O ATOM 0 H GLY B 14 5.153 -4.750 9.442 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.717 -4.473 6.958 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.465 -5.674 6.716 1.00 0.14 H new ATOM 1131 N ARG B 15 3.324 -3.509 8.694 1.00 0.10 N ATOM 1132 CA ARG B 15 2.292 -2.514 8.934 1.00 0.10 C ATOM 1133 C ARG B 15 2.848 -1.111 8.703 1.00 0.09 C ATOM 1134 O ARG B 15 3.854 -0.737 9.303 1.00 0.12 O ATOM 1135 CB ARG B 15 1.780 -2.621 10.378 1.00 0.17 C ATOM 1136 CG ARG B 15 1.370 -4.027 10.802 1.00 0.23 C ATOM 1137 CD ARG B 15 0.732 -4.030 12.184 1.00 0.42 C ATOM 1138 NE ARG B 15 1.646 -3.549 13.221 1.00 1.48 N ATOM 1139 CZ ARG B 15 1.288 -3.330 14.487 1.00 1.80 C ATOM 1140 NH1 ARG B 15 0.068 -3.649 14.908 1.00 1.45 N ATOM 1141 NH2 ARG B 15 2.164 -2.831 15.347 1.00 2.89 N ATOM 0 H ARG B 15 3.684 -3.951 9.540 1.00 0.10 H new ATOM 0 HA ARG B 15 1.470 -2.697 8.242 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.558 -2.264 11.053 1.00 0.17 H new ATOM 0 HB3 ARG B 15 0.925 -1.956 10.497 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.668 -4.437 10.076 1.00 0.23 H new ATOM 0 HG3 ARG B 15 2.245 -4.677 10.803 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.160 -3.404 12.171 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.408 -5.041 12.430 1.00 0.42 H new ATOM 0 HE ARG B 15 2.616 -3.370 12.960 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -0.602 -4.065 14.261 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -0.198 -3.478 15.878 1.00 1.45 H new ATOM 0 HH21 ARG B 15 3.113 -2.614 15.041 1.00 2.89 H new ATOM 0 HH22 ARG B 15 1.890 -2.664 16.315 1.00 2.89 H new ATOM 1155 N ILE B 16 2.209 -0.346 7.827 1.00 0.09 N ATOM 1156 CA ILE B 16 2.634 1.025 7.559 1.00 0.09 C ATOM 1157 C ILE B 16 1.416 1.950 7.558 1.00 0.09 C ATOM 1158 O ILE B 16 0.290 1.507 7.781 1.00 0.10 O ATOM 1159 CB ILE B 16 3.415 1.164 6.223 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.462 1.274 5.033 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.378 -0.001 6.029 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.148 1.189 3.684 1.00 0.12 C ATOM 0 H ILE B 16 1.396 -0.649 7.290 1.00 0.09 H new ATOM 0 HA ILE B 16 3.321 1.313 8.355 1.00 0.09 H new ATOM 0 HB ILE B 16 3.997 2.084 6.277 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.718 0.480 5.102 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.925 2.220 5.097 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.912 0.121 5.086 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.094 -0.022 6.851 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.819 -0.936 6.011 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.404 1.275 2.892 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.872 1.999 3.592 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.662 0.232 3.597 1.00 0.12 H new ATOM 1174 N VAL B 17 1.638 3.226 7.304 1.00 0.09 N ATOM 1175 CA VAL B 17 0.572 4.205 7.392 1.00 0.09 C ATOM 1176 C VAL B 17 0.249 4.780 6.021 1.00 0.09 C ATOM 1177 O VAL B 17 1.039 5.524 5.434 1.00 0.13 O ATOM 1178 CB VAL B 17 0.903 5.344 8.395 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.307 5.892 8.180 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.132 6.464 8.305 1.00 0.11 C ATOM 0 H VAL B 17 2.545 3.608 7.036 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.308 3.684 7.770 1.00 0.09 H new ATOM 0 HB VAL B 17 0.866 4.918 9.397 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.502 6.687 8.900 1.00 0.12 H new ATOM 0 HG12 VAL B 17 3.035 5.092 8.317 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.391 6.290 7.169 1.00 0.12 H new ATOM 0 HG21 VAL B 17 0.120 7.250 9.016 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.136 6.875 7.296 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.120 6.066 8.539 1.00 0.11 H new ATOM 1190 N MET B 18 -0.910 4.415 5.506 1.00 0.09 N ATOM 1191 CA MET B 18 -1.374 4.960 4.241 1.00 0.09 C ATOM 1192 C MET B 18 -2.094 6.264 4.539 1.00 0.08 C ATOM 1193 O MET B 18 -2.689 6.406 5.606 1.00 0.15 O ATOM 1194 CB MET B 18 -2.299 3.974 3.513 1.00 0.17 C ATOM 1195 CG MET B 18 -1.786 2.537 3.495 1.00 0.20 C ATOM 1196 SD MET B 18 -0.083 2.392 2.901 1.00 0.90 S ATOM 1197 CE MET B 18 -0.247 2.858 1.180 1.00 0.50 C ATOM 0 H MET B 18 -1.546 3.746 5.941 1.00 0.09 H new ATOM 0 HA MET B 18 -0.527 5.138 3.578 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.279 3.993 3.989 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.437 4.312 2.486 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.849 2.124 4.502 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.437 1.934 2.862 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.582 2.439 0.609 1.00 0.50 H new ATOM 0 HE2 MET B 18 -1.189 2.475 0.787 1.00 0.50 H new ATOM 0 HE3 MET B 18 -0.234 3.945 1.094 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.041 7.254 3.646 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.517 8.574 3.970 1.00 0.11 C ATOM 1209 C PRO B 19 -3.995 8.793 3.680 1.00 0.12 C ATOM 1210 O PRO B 19 -4.669 7.990 3.012 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.645 9.480 3.099 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.113 8.623 1.990 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.526 7.191 2.275 1.00 0.14 C ATOM 0 HA PRO B 19 -2.440 8.770 5.040 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.226 10.312 2.701 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.830 9.910 3.681 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -1.509 8.951 1.029 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.028 8.704 1.931 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.287 6.845 1.575 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.683 6.505 2.193 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.494 9.894 4.217 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.817 10.392 3.906 1.00 0.17 C ATOM 1223 C ILE B 20 -6.031 10.435 2.397 1.00 0.16 C ATOM 1224 O ILE B 20 -7.132 10.221 1.920 1.00 0.17 O ATOM 1225 CB ILE B 20 -5.994 11.807 4.486 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.305 12.433 4.009 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -4.794 12.678 4.126 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.528 11.842 4.666 1.00 0.27 C ATOM 0 H ILE B 20 -3.985 10.470 4.887 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.551 9.720 4.350 1.00 0.17 H new ATOM 0 HB ILE B 20 -6.046 11.735 5.572 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.279 13.505 4.205 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.386 12.308 2.929 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -4.931 13.676 4.542 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -3.887 12.235 4.537 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -4.706 12.746 3.042 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.421 12.333 4.280 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.578 10.775 4.449 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.469 11.990 5.744 1.00 0.27 H new ATOM 1240 N GLU B 21 -4.959 10.695 1.663 1.00 0.16 N ATOM 1241 CA GLU B 21 -4.975 10.695 0.205 1.00 0.18 C ATOM 1242 C GLU B 21 -5.565 9.401 -0.322 1.00 0.14 C ATOM 1243 O GLU B 21 -6.329 9.398 -1.280 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.549 10.802 -0.300 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.678 11.677 0.579 1.00 0.22 C ATOM 1246 CD GLU B 21 -2.719 13.129 0.166 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -3.660 13.838 0.574 1.00 1.23 O ATOM 1248 OE2 GLU B 21 -1.812 13.569 -0.573 1.00 0.98 O ATOM 0 H GLU B 21 -4.047 10.914 2.064 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.579 11.535 -0.138 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.113 9.805 -0.357 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -3.556 11.205 -1.313 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.005 11.587 1.615 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -1.649 11.319 0.538 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.204 8.307 0.334 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.659 6.989 -0.057 1.00 0.13 C ATOM 1257 C LEU B 22 -7.114 6.826 0.319 1.00 0.14 C ATOM 1258 O LEU B 22 -7.904 6.254 -0.430 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.791 5.910 0.610 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.528 4.650 1.078 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.688 3.413 0.805 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.852 4.744 2.568 1.00 0.21 C ATOM 0 H LEU B 22 -4.590 8.312 1.148 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.564 6.875 -1.137 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -4.013 5.612 -0.093 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.290 6.355 1.470 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.461 4.571 0.521 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.225 2.527 1.143 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.494 3.334 -0.265 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.742 3.490 1.341 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.375 3.842 2.884 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -4.927 4.845 3.136 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.485 5.613 2.749 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.467 7.342 1.485 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.845 7.293 1.940 1.00 0.19 C ATOM 1276 C ARG B 23 -9.753 8.073 0.994 1.00 0.20 C ATOM 1277 O ARG B 23 -10.759 7.544 0.515 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.943 7.822 3.379 1.00 0.24 C ATOM 1279 CG ARG B 23 -8.029 7.069 4.336 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.406 7.274 5.799 1.00 0.52 C ATOM 1281 NE ARG B 23 -8.260 8.654 6.263 1.00 0.83 N ATOM 1282 CZ ARG B 23 -9.006 9.176 7.244 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -9.991 8.460 7.775 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -8.773 10.406 7.690 1.00 1.75 N ATOM 0 H ARG B 23 -6.821 7.797 2.130 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.183 6.257 1.936 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.686 8.881 3.392 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -9.974 7.740 3.724 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.064 6.005 4.102 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -7.001 7.396 4.182 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -9.440 6.960 5.945 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.786 6.626 6.418 1.00 0.52 H new ATOM 0 HE ARG B 23 -7.558 9.245 5.819 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -10.176 7.516 7.435 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -10.562 8.854 8.523 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -8.020 10.961 7.284 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -9.347 10.795 8.438 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.377 9.323 0.737 1.00 0.21 N ATOM 1299 CA ARG B 24 -10.054 10.181 -0.234 1.00 0.23 C ATOM 1300 C ARG B 24 -10.145 9.507 -1.593 1.00 0.22 C ATOM 1301 O ARG B 24 -11.225 9.423 -2.184 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.285 11.498 -0.391 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.104 12.269 0.893 1.00 0.28 C ATOM 1304 CD ARG B 24 -7.963 13.270 0.774 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.223 14.327 -0.203 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.341 15.279 -0.522 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -6.146 15.304 0.055 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -7.654 16.206 -1.418 1.00 1.00 N ATOM 0 H ARG B 24 -8.588 9.773 1.200 1.00 0.21 H new ATOM 0 HA ARG B 24 -11.061 10.372 0.136 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.303 11.284 -0.814 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -9.810 12.128 -1.109 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.027 12.793 1.140 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -8.902 11.577 1.711 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -7.782 13.722 1.749 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.052 12.741 0.494 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.131 14.338 -0.668 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -5.898 14.595 0.745 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -5.476 16.032 -0.191 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.570 16.194 -1.866 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -6.978 16.931 -1.659 1.00 1.00 H new ATOM 1322 N ALA B 25 -8.994 9.058 -2.090 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.896 8.398 -3.385 1.00 0.22 C ATOM 1324 C ALA B 25 -9.917 7.287 -3.544 1.00 0.23 C ATOM 1325 O ALA B 25 -10.661 7.249 -4.525 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.505 7.814 -3.552 1.00 0.22 C ATOM 0 H ALA B 25 -8.102 9.143 -1.602 1.00 0.21 H new ATOM 0 HA ALA B 25 -9.096 9.150 -4.148 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.432 7.320 -4.521 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.766 8.613 -3.495 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.317 7.089 -2.760 1.00 0.22 H new ATOM 1332 N LEU B 26 -9.951 6.388 -2.576 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.774 5.201 -2.685 1.00 0.28 C ATOM 1334 C LEU B 26 -12.187 5.463 -2.173 1.00 0.30 C ATOM 1335 O LEU B 26 -13.086 5.779 -2.957 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.137 4.036 -1.924 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.656 3.780 -2.224 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.150 2.580 -1.440 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.437 3.570 -3.708 1.00 0.35 C ATOM 0 H LEU B 26 -9.419 6.459 -1.709 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.842 4.934 -3.740 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.246 4.221 -0.855 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.697 3.129 -2.150 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.091 4.659 -1.914 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.097 2.415 -1.667 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.266 2.768 -0.373 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.724 1.696 -1.718 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.379 3.390 -3.898 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.017 2.710 -4.043 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.757 4.458 -4.252 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.367 5.359 -0.858 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.689 5.480 -0.239 1.00 0.36 C ATOM 1353 C ASP B 27 -13.586 5.236 1.267 1.00 0.42 C ATOM 1354 O ASP B 27 -14.585 4.978 1.939 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.646 4.456 -0.873 1.00 0.45 C ATOM 1356 CG ASP B 27 -16.111 4.703 -0.555 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.707 5.627 -1.148 1.00 1.57 O ATOM 1358 OD2 ASP B 27 -16.685 3.950 0.262 1.00 1.77 O ATOM 0 H ASP B 27 -11.610 5.190 -0.195 1.00 0.32 H new ATOM 0 HA ASP B 27 -14.074 6.486 -0.405 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.512 4.469 -1.955 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -14.373 3.458 -0.530 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.373 5.361 1.803 1.00 0.28 N ATOM 1364 CA ILE B 28 -12.095 4.905 3.166 1.00 0.29 C ATOM 1365 C ILE B 28 -12.767 5.807 4.185 1.00 0.32 C ATOM 1366 O ILE B 28 -12.516 7.011 4.232 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.575 4.815 3.491 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -9.880 3.662 2.751 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -10.378 4.625 4.990 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -10.168 3.592 1.279 1.00 0.28 C ATOM 0 H ILE B 28 -11.573 5.770 1.320 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.504 3.896 3.227 1.00 0.29 H new ATOM 0 HB ILE B 28 -10.124 5.749 3.156 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.803 3.756 2.892 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -10.181 2.721 3.211 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -9.313 4.563 5.212 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.811 5.471 5.524 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.869 3.705 5.308 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.634 2.747 0.844 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.239 3.463 1.124 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.840 4.514 0.800 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.612 5.212 5.007 1.00 0.38 N ATOM 1383 CA ALA B 29 -14.325 5.948 6.027 1.00 0.40 C ATOM 1384 C ALA B 29 -13.514 5.980 7.309 1.00 0.39 C ATOM 1385 O ALA B 29 -13.305 7.035 7.905 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.688 5.315 6.256 1.00 0.39 C ATOM 0 H ALA B 29 -13.820 4.214 4.985 1.00 0.38 H new ATOM 0 HA ALA B 29 -14.474 6.976 5.697 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -16.223 5.872 7.025 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -16.260 5.337 5.328 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.560 4.282 6.579 1.00 0.39 H new ATOM 1392 N ILE B 30 -13.040 4.814 7.708 1.00 0.35 N ATOM 1393 CA ILE B 30 -12.206 4.687 8.895 1.00 0.36 C ATOM 1394 C ILE B 30 -11.416 3.383 8.829 1.00 0.37 C ATOM 1395 O ILE B 30 -10.249 3.345 9.195 1.00 0.47 O ATOM 1396 CB ILE B 30 -13.045 4.792 10.203 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.151 4.795 11.459 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -14.090 3.684 10.277 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.827 3.424 12.016 1.00 0.39 C ATOM 0 H ILE B 30 -13.219 3.934 7.225 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.501 5.518 8.917 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.568 5.748 10.175 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.217 5.304 11.221 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.644 5.379 12.236 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.660 3.783 11.201 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.764 3.762 9.424 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.593 2.714 10.259 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.194 3.530 12.897 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.751 2.916 12.291 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.302 2.839 11.261 1.00 0.39 H new ATOM 1411 N LYS B 31 -12.053 2.322 8.338 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.361 1.060 8.097 1.00 0.37 C ATOM 1413 C LYS B 31 -11.518 0.668 6.633 1.00 0.36 C ATOM 1414 O LYS B 31 -10.558 0.284 5.965 1.00 0.52 O ATOM 1415 CB LYS B 31 -11.917 -0.043 9.005 1.00 0.40 C ATOM 1416 CG LYS B 31 -12.085 0.396 10.450 1.00 0.41 C ATOM 1417 CD LYS B 31 -12.335 -0.774 11.383 1.00 0.32 C ATOM 1418 CE LYS B 31 -11.080 -1.607 11.580 1.00 0.33 C ATOM 1419 NZ LYS B 31 -11.270 -2.656 12.614 1.00 0.39 N ATOM 0 H LYS B 31 -13.045 2.312 8.100 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.303 1.186 8.326 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -12.882 -0.371 8.618 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.250 -0.904 8.969 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -11.190 0.929 10.772 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.916 1.097 10.520 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.682 -0.404 12.348 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -13.129 -1.401 10.977 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -10.802 -2.074 10.635 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -10.254 -0.957 11.869 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -10.392 -3.203 12.719 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -11.510 -2.209 13.522 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -12.041 -3.292 12.326 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.748 0.795 6.152 1.00 0.24 N ATOM 1434 CA ASP B 32 -13.107 0.555 4.756 1.00 0.23 C ATOM 1435 C ASP B 32 -12.650 -0.812 4.239 1.00 0.34 C ATOM 1436 O ASP B 32 -13.194 -1.831 4.661 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.577 1.665 3.863 1.00 0.26 C ATOM 1438 CG ASP B 32 -13.548 1.976 2.756 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -14.761 2.031 3.034 1.00 1.79 O ATOM 1440 OD2 ASP B 32 -13.110 2.168 1.611 1.00 1.83 O ATOM 0 H ASP B 32 -13.541 1.073 6.731 1.00 0.24 H new ATOM 0 HA ASP B 32 -14.196 0.553 4.719 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.399 2.561 4.457 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -11.618 1.368 3.438 1.00 0.26 H new ATOM 1445 N SER B 33 -11.620 -0.828 3.376 1.00 0.23 N ATOM 1446 CA SER B 33 -11.190 -2.023 2.627 1.00 0.17 C ATOM 1447 C SER B 33 -10.072 -1.644 1.659 1.00 0.17 C ATOM 1448 O SER B 33 -10.289 -0.833 0.764 1.00 0.24 O ATOM 1449 CB SER B 33 -12.320 -2.620 1.775 1.00 0.18 C ATOM 1450 OG SER B 33 -13.355 -3.186 2.559 1.00 0.22 O ATOM 0 H SER B 33 -11.056 -0.002 3.176 1.00 0.23 H new ATOM 0 HA SER B 33 -10.868 -2.754 3.369 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.738 -1.842 1.136 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.908 -3.385 1.117 1.00 0.18 H new ATOM 0 HG SER B 33 -13.168 -3.032 3.509 1.00 0.22 H new ATOM 1456 N ILE B 34 -8.885 -2.202 1.826 1.00 0.15 N ATOM 1457 CA ILE B 34 -7.832 -2.000 0.836 1.00 0.16 C ATOM 1458 C ILE B 34 -7.208 -3.331 0.448 1.00 0.14 C ATOM 1459 O ILE B 34 -6.628 -4.011 1.281 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.705 -1.058 1.316 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.257 0.182 2.018 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -5.850 -0.641 0.134 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.416 -0.003 3.507 1.00 0.40 C ATOM 0 H ILE B 34 -8.626 -2.788 2.620 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.319 -1.529 -0.018 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.100 -1.605 2.039 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.591 1.025 1.832 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.224 0.438 1.584 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -5.056 0.023 0.476 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.410 -1.525 -0.327 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.469 -0.121 -0.597 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -7.812 0.912 3.947 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.105 -0.826 3.700 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.447 -0.230 3.951 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.313 -3.679 -0.817 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.783 -4.939 -1.318 1.00 0.13 C ATOM 1477 C GLU B 35 -5.590 -4.654 -2.216 1.00 0.12 C ATOM 1478 O GLU B 35 -5.644 -3.738 -3.043 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.871 -5.698 -2.084 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.401 -7.007 -2.700 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.469 -7.659 -3.557 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -9.514 -7.017 -3.794 1.00 1.21 O ATOM 1483 OE2 GLU B 35 -8.257 -8.809 -4.006 1.00 1.24 O ATOM 0 H GLU B 35 -7.765 -3.103 -1.527 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.460 -5.562 -0.484 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.700 -5.905 -1.407 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.258 -5.056 -2.875 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.515 -6.822 -3.307 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.106 -7.694 -1.906 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.504 -5.414 -2.051 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.277 -5.085 -2.778 1.00 0.11 C ATOM 1492 C PHE B 36 -2.837 -6.160 -3.780 1.00 0.13 C ATOM 1493 O PHE B 36 -3.105 -7.355 -3.628 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.106 -4.756 -1.838 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.465 -4.610 -0.389 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.227 -3.539 0.050 1.00 1.22 C ATOM 1497 CD2 PHE B 36 -2.020 -5.535 0.538 1.00 1.14 C ATOM 1498 CE1 PHE B 36 -3.542 -3.401 1.383 1.00 1.29 C ATOM 1499 CE2 PHE B 36 -2.330 -5.398 1.875 1.00 1.13 C ATOM 1500 CZ PHE B 36 -3.091 -4.330 2.296 1.00 0.37 C ATOM 0 H PHE B 36 -4.448 -6.232 -1.444 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.540 -4.194 -3.348 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.356 -5.541 -1.932 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.641 -3.829 -2.175 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.577 -2.805 -0.661 1.00 1.22 H new ATOM 0 HD2 PHE B 36 -1.423 -6.374 0.211 1.00 1.14 H new ATOM 0 HE1 PHE B 36 -4.142 -2.566 1.713 1.00 1.29 H new ATOM 0 HE2 PHE B 36 -1.977 -6.126 2.590 1.00 1.13 H new ATOM 0 HZ PHE B 36 -3.335 -4.220 3.342 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.153 -5.672 -4.807 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.547 -6.471 -5.866 1.00 0.17 C ATOM 1512 C PHE B 37 -0.045 -6.255 -5.811 1.00 0.15 C ATOM 1513 O PHE B 37 0.409 -5.251 -5.278 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.111 -5.999 -7.219 1.00 0.21 C ATOM 1515 CG PHE B 37 -1.674 -6.775 -8.437 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -0.486 -6.477 -9.085 1.00 1.17 C ATOM 1517 CD2 PHE B 37 -2.471 -7.784 -8.950 1.00 1.22 C ATOM 1518 CE1 PHE B 37 -0.100 -7.172 -10.215 1.00 1.21 C ATOM 1519 CE2 PHE B 37 -2.089 -8.486 -10.079 1.00 1.22 C ATOM 1520 CZ PHE B 37 -0.902 -8.178 -10.712 1.00 0.36 C ATOM 0 H PHE B 37 -1.999 -4.671 -4.930 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.768 -7.531 -5.742 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.199 -6.032 -7.165 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -1.830 -4.955 -7.360 1.00 0.21 H new ATOM 0 HD1 PHE B 37 0.147 -5.691 -8.701 1.00 1.17 H new ATOM 0 HD2 PHE B 37 -3.404 -8.026 -8.462 1.00 1.22 H new ATOM 0 HE1 PHE B 37 0.829 -6.928 -10.709 1.00 1.21 H new ATOM 0 HE2 PHE B 37 -2.719 -9.274 -10.465 1.00 1.22 H new ATOM 0 HZ PHE B 37 -0.602 -8.723 -11.594 1.00 0.36 H new ATOM 1530 N VAL B 38 0.723 -7.187 -6.326 1.00 0.18 N ATOM 1531 CA VAL B 38 2.163 -7.008 -6.379 1.00 0.18 C ATOM 1532 C VAL B 38 2.698 -7.296 -7.778 1.00 0.24 C ATOM 1533 O VAL B 38 2.342 -8.297 -8.404 1.00 0.30 O ATOM 1534 CB VAL B 38 2.882 -7.878 -5.327 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.541 -9.353 -5.491 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.388 -7.665 -5.379 1.00 0.25 C ATOM 0 H VAL B 38 0.384 -8.069 -6.711 1.00 0.18 H new ATOM 0 HA VAL B 38 2.371 -5.965 -6.142 1.00 0.18 H new ATOM 0 HB VAL B 38 2.525 -7.563 -4.346 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.066 -9.934 -4.733 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.466 -9.493 -5.376 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.847 -9.689 -6.482 1.00 0.34 H new ATOM 0 HG21 VAL B 38 4.870 -8.290 -4.627 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.760 -7.934 -6.368 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.614 -6.618 -5.179 1.00 0.25 H new ATOM 1546 N ASP B 39 3.538 -6.399 -8.265 1.00 0.27 N ATOM 1547 CA ASP B 39 4.065 -6.489 -9.619 1.00 0.34 C ATOM 1548 C ASP B 39 5.566 -6.244 -9.622 1.00 0.35 C ATOM 1549 O ASP B 39 6.010 -5.098 -9.656 1.00 0.30 O ATOM 1550 CB ASP B 39 3.364 -5.467 -10.517 1.00 0.35 C ATOM 1551 CG ASP B 39 3.764 -5.586 -11.974 1.00 0.52 C ATOM 1552 OD1 ASP B 39 3.420 -6.607 -12.606 1.00 1.35 O ATOM 1553 OD2 ASP B 39 4.388 -4.647 -12.504 1.00 1.08 O ATOM 0 H ASP B 39 3.873 -5.592 -7.738 1.00 0.27 H new ATOM 0 HA ASP B 39 3.877 -7.492 -10.003 1.00 0.34 H new ATOM 0 HB2 ASP B 39 2.285 -5.595 -10.431 1.00 0.35 H new ATOM 0 HB3 ASP B 39 3.595 -4.462 -10.163 1.00 0.35 H new ATOM 1558 N GLY B 40 6.335 -7.324 -9.562 1.00 0.43 N ATOM 1559 CA GLY B 40 7.786 -7.217 -9.557 1.00 0.48 C ATOM 1560 C GLY B 40 8.316 -6.508 -8.326 1.00 0.42 C ATOM 1561 O GLY B 40 8.574 -7.134 -7.298 1.00 0.47 O ATOM 0 H GLY B 40 5.979 -8.279 -9.516 1.00 0.43 H new ATOM 0 HA2 GLY B 40 8.220 -8.215 -9.611 1.00 0.48 H new ATOM 0 HA3 GLY B 40 8.110 -6.680 -10.448 1.00 0.48 H new ATOM 1565 N ASP B 41 8.456 -5.196 -8.431 1.00 0.34 N ATOM 1566 CA ASP B 41 8.965 -4.377 -7.341 1.00 0.31 C ATOM 1567 C ASP B 41 7.922 -3.330 -6.996 1.00 0.22 C ATOM 1568 O ASP B 41 8.236 -2.283 -6.433 1.00 0.26 O ATOM 1569 CB ASP B 41 10.267 -3.660 -7.734 1.00 0.38 C ATOM 1570 CG ASP B 41 11.286 -4.552 -8.418 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.175 -4.746 -9.646 1.00 1.74 O ATOM 1572 OD2 ASP B 41 12.224 -5.025 -7.743 1.00 1.81 O ATOM 0 H ASP B 41 8.221 -4.669 -9.272 1.00 0.34 H new ATOM 0 HA ASP B 41 9.173 -5.026 -6.491 1.00 0.31 H new ATOM 0 HB2 ASP B 41 10.025 -2.829 -8.397 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.718 -3.233 -6.838 1.00 0.38 H new ATOM 1577 N LYS B 42 6.681 -3.607 -7.359 1.00 0.18 N ATOM 1578 CA LYS B 42 5.594 -2.668 -7.157 1.00 0.13 C ATOM 1579 C LYS B 42 4.449 -3.299 -6.369 1.00 0.11 C ATOM 1580 O LYS B 42 4.250 -4.511 -6.403 1.00 0.15 O ATOM 1581 CB LYS B 42 5.083 -2.180 -8.517 1.00 0.12 C ATOM 1582 CG LYS B 42 3.673 -1.617 -8.482 1.00 0.14 C ATOM 1583 CD LYS B 42 3.245 -1.077 -9.834 1.00 0.33 C ATOM 1584 CE LYS B 42 3.500 -2.093 -10.938 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.034 -1.629 -12.270 1.00 0.55 N ATOM 0 H LYS B 42 6.401 -4.484 -7.799 1.00 0.18 H new ATOM 0 HA LYS B 42 5.973 -1.826 -6.578 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.760 -1.413 -8.894 1.00 0.12 H new ATOM 0 HB3 LYS B 42 5.115 -3.009 -9.224 1.00 0.12 H new ATOM 0 HG2 LYS B 42 2.979 -2.396 -8.166 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.618 -0.821 -7.739 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.185 -0.822 -9.808 1.00 0.33 H new ATOM 0 HD3 LYS B 42 3.789 -0.157 -10.050 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.567 -2.308 -10.987 1.00 0.75 H new ATOM 0 HE3 LYS B 42 2.997 -3.027 -10.688 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 3.233 -2.361 -12.982 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 2.010 -1.449 -12.236 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 3.532 -0.752 -12.526 1.00 0.55 H new ATOM 1599 N ILE B 43 3.705 -2.460 -5.671 1.00 0.09 N ATOM 1600 CA ILE B 43 2.496 -2.870 -4.980 1.00 0.08 C ATOM 1601 C ILE B 43 1.336 -2.014 -5.481 1.00 0.06 C ATOM 1602 O ILE B 43 1.528 -0.854 -5.834 1.00 0.07 O ATOM 1603 CB ILE B 43 2.654 -2.713 -3.449 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.694 -3.696 -2.894 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.324 -2.876 -2.733 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.227 -5.140 -2.854 1.00 0.22 C ATOM 0 H ILE B 43 3.924 -1.469 -5.567 1.00 0.09 H new ATOM 0 HA ILE B 43 2.301 -3.922 -5.186 1.00 0.08 H new ATOM 0 HB ILE B 43 3.012 -1.700 -3.262 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.596 -3.635 -3.502 1.00 0.15 H new ATOM 0 HG13 ILE B 43 3.968 -3.386 -1.885 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.472 -2.760 -1.659 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.625 -2.118 -3.087 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.919 -3.867 -2.938 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.021 -5.768 -2.449 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.343 -5.219 -2.221 1.00 0.22 H new ATOM 0 HD13 ILE B 43 2.981 -5.471 -3.863 1.00 0.22 H new ATOM 1618 N ILE B 44 0.155 -2.596 -5.549 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.028 -1.901 -6.047 1.00 0.08 C ATOM 1620 C ILE B 44 -2.148 -1.992 -5.019 1.00 0.10 C ATOM 1621 O ILE B 44 -2.358 -3.046 -4.449 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.504 -2.522 -7.377 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.352 -2.541 -8.388 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.706 -1.765 -7.927 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.729 -3.101 -9.744 1.00 0.14 C ATOM 0 H ILE B 44 -0.017 -3.560 -5.263 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.768 -0.856 -6.219 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.818 -3.550 -7.193 1.00 0.11 H new ATOM 0 HG12 ILE B 44 0.021 -1.525 -8.517 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.467 -3.131 -7.978 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -3.025 -2.220 -8.865 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.523 -1.807 -7.207 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.431 -0.725 -8.103 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.140 -3.080 -10.401 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -1.073 -4.129 -9.630 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.526 -2.498 -10.178 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.864 -0.905 -4.776 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.911 -0.899 -3.760 1.00 0.09 C ATOM 1639 C LEU B 45 -5.217 -0.403 -4.344 1.00 0.12 C ATOM 1640 O LEU B 45 -5.220 0.485 -5.196 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.540 0.000 -2.573 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.639 -0.618 -1.504 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.260 -0.902 -2.053 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.543 0.298 -0.295 1.00 0.26 C ATOM 0 H LEU B 45 -2.742 -0.018 -5.265 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.020 -1.926 -3.412 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.047 0.891 -2.961 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.462 0.329 -2.093 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.085 -1.564 -1.196 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.640 -1.341 -1.271 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.337 -1.598 -2.888 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.806 0.028 -2.396 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -1.898 -0.157 0.456 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.125 1.258 -0.598 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.537 0.451 0.125 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.321 -0.986 -3.897 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.640 -0.458 -4.235 1.00 0.19 C ATOM 1658 C LYS B 46 -8.672 -0.949 -3.235 1.00 0.19 C ATOM 1659 O LYS B 46 -8.482 -1.978 -2.590 1.00 0.34 O ATOM 1660 CB LYS B 46 -8.044 -0.829 -5.679 1.00 0.40 C ATOM 1661 CG LYS B 46 -8.926 -2.067 -5.822 1.00 0.92 C ATOM 1662 CD LYS B 46 -8.194 -3.354 -5.485 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.060 -4.571 -5.787 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.259 -4.663 -4.909 1.00 1.20 N ATOM 0 H LYS B 46 -6.333 -1.817 -3.305 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.595 0.630 -4.182 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -8.567 0.020 -6.120 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.136 -0.983 -6.263 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -9.794 -1.967 -5.170 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -9.300 -2.124 -6.844 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -7.269 -3.411 -6.058 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -7.917 -3.353 -4.431 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -9.381 -4.533 -6.828 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.461 -5.474 -5.671 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.140 -5.451 -4.241 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -10.371 -3.774 -4.380 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -11.104 -4.828 -5.492 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.750 -0.201 -3.091 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.831 -0.597 -2.201 1.00 0.18 C ATOM 1680 C LYS B 47 -11.513 -1.835 -2.785 1.00 0.21 C ATOM 1681 O LYS B 47 -11.507 -2.039 -4.001 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.814 0.569 -2.017 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.631 0.534 -0.724 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.804 -0.425 -0.801 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.739 -0.264 0.385 1.00 0.42 C ATOM 1686 NZ LYS B 47 -15.292 1.111 0.472 1.00 0.76 N ATOM 0 H LYS B 47 -9.902 0.683 -3.577 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.443 -0.848 -1.214 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.254 1.504 -2.049 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.502 0.580 -2.862 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.983 0.244 0.103 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.999 1.536 -0.504 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.355 -0.252 -1.725 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.435 -1.450 -0.837 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -15.557 -0.980 0.302 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.203 -0.498 1.304 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -16.001 1.152 1.231 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -14.524 1.782 0.678 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -15.738 1.364 -0.433 1.00 0.76 H new ATOM 1700 N TYR B 48 -12.081 -2.667 -1.927 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.607 -3.956 -2.355 1.00 0.25 C ATOM 1702 C TYR B 48 -13.865 -3.781 -3.208 1.00 0.35 C ATOM 1703 O TYR B 48 -13.968 -4.328 -4.305 1.00 0.38 O ATOM 1704 CB TYR B 48 -12.918 -4.815 -1.131 1.00 0.33 C ATOM 1705 CG TYR B 48 -13.096 -6.281 -1.444 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -11.992 -7.086 -1.687 1.00 1.30 C ATOM 1707 CD2 TYR B 48 -14.356 -6.861 -1.488 1.00 1.05 C ATOM 1708 CE1 TYR B 48 -12.137 -8.429 -1.969 1.00 1.37 C ATOM 1709 CE2 TYR B 48 -14.510 -8.205 -1.771 1.00 1.08 C ATOM 1710 CZ TYR B 48 -13.397 -8.985 -2.009 1.00 0.63 C ATOM 1711 OH TYR B 48 -13.543 -10.326 -2.284 1.00 0.76 O ATOM 0 H TYR B 48 -12.190 -2.475 -0.931 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.852 -4.452 -2.965 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -12.112 -4.703 -0.406 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -13.826 -4.441 -0.658 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.003 -6.654 -1.655 1.00 1.30 H new ATOM 0 HD2 TYR B 48 -15.229 -6.254 -1.298 1.00 1.05 H new ATOM 0 HE1 TYR B 48 -11.267 -9.041 -2.157 1.00 1.37 H new ATOM 0 HE2 TYR B 48 -15.497 -8.643 -1.806 1.00 1.08 H new ATOM 0 HH TYR B 48 -14.495 -10.560 -2.274 1.00 0.76 H new ATOM 1721 N LYS B 49 -14.807 -3.014 -2.675 1.00 0.47 N ATOM 1722 CA LYS B 49 -16.098 -2.763 -3.320 1.00 0.65 C ATOM 1723 C LYS B 49 -15.973 -2.224 -4.761 1.00 0.73 C ATOM 1724 O LYS B 49 -16.525 -2.830 -5.680 1.00 0.85 O ATOM 1725 CB LYS B 49 -16.920 -1.803 -2.453 1.00 0.75 C ATOM 1726 CG LYS B 49 -18.344 -1.585 -2.938 1.00 1.04 C ATOM 1727 CD LYS B 49 -19.135 -2.881 -2.968 1.00 1.62 C ATOM 1728 CE LYS B 49 -20.606 -2.629 -3.258 1.00 2.34 C ATOM 1729 NZ LYS B 49 -20.809 -1.903 -4.540 1.00 3.00 N ATOM 0 H LYS B 49 -14.700 -2.543 -1.777 1.00 0.47 H new ATOM 0 HA LYS B 49 -16.607 -3.723 -3.407 1.00 0.65 H new ATOM 0 HB2 LYS B 49 -16.951 -2.188 -1.434 1.00 0.75 H new ATOM 0 HB3 LYS B 49 -16.410 -0.840 -2.414 1.00 0.75 H new ATOM 0 HG2 LYS B 49 -18.844 -0.869 -2.286 1.00 1.04 H new ATOM 0 HG3 LYS B 49 -18.325 -1.148 -3.936 1.00 1.04 H new ATOM 0 HD2 LYS B 49 -18.721 -3.543 -3.728 1.00 1.62 H new ATOM 0 HD3 LYS B 49 -19.034 -3.392 -2.011 1.00 1.62 H new ATOM 0 HE2 LYS B 49 -21.136 -3.581 -3.294 1.00 2.34 H new ATOM 0 HE3 LYS B 49 -21.042 -2.052 -2.442 1.00 2.34 H new ATOM 0 HZ1 LYS B 49 -21.826 -1.842 -4.747 1.00 3.00 H new ATOM 0 HZ2 LYS B 49 -20.414 -0.944 -4.462 1.00 3.00 H new ATOM 0 HZ3 LYS B 49 -20.329 -2.414 -5.308 1.00 3.00 H new ATOM 1743 N PRO B 50 -15.279 -1.083 -4.997 1.00 0.72 N ATOM 1744 CA PRO B 50 -15.151 -0.511 -6.345 1.00 0.88 C ATOM 1745 C PRO B 50 -14.483 -1.473 -7.321 1.00 0.96 C ATOM 1746 O PRO B 50 -13.619 -2.259 -6.929 1.00 1.49 O ATOM 1747 CB PRO B 50 -14.273 0.727 -6.142 1.00 0.94 C ATOM 1748 CG PRO B 50 -14.401 1.053 -4.698 1.00 0.92 C ATOM 1749 CD PRO B 50 -14.570 -0.264 -4.003 1.00 0.62 C ATOM 0 HA PRO B 50 -16.126 -0.288 -6.777 1.00 0.88 H new ATOM 0 HB2 PRO B 50 -13.236 0.525 -6.411 1.00 0.94 H new ATOM 0 HB3 PRO B 50 -14.608 1.556 -6.766 1.00 0.94 H new ATOM 0 HG2 PRO B 50 -13.518 1.578 -4.334 1.00 0.92 H new ATOM 0 HG3 PRO B 50 -15.256 1.705 -4.517 1.00 0.92 H new ATOM 0 HD2 PRO B 50 -13.609 -0.702 -3.732 1.00 0.62 H new ATOM 0 HD3 PRO B 50 -15.145 -0.162 -3.082 1.00 0.62 H new ATOM 1757 N HIS B 51 -14.893 -1.388 -8.589 1.00 1.41 N ATOM 1758 CA HIS B 51 -14.417 -2.270 -9.666 1.00 1.55 C ATOM 1759 C HIS B 51 -15.065 -3.649 -9.570 1.00 1.83 C ATOM 1760 O HIS B 51 -15.341 -4.283 -10.588 1.00 2.39 O ATOM 1761 CB HIS B 51 -12.882 -2.408 -9.673 1.00 2.03 C ATOM 1762 CG HIS B 51 -12.151 -1.099 -9.738 1.00 2.93 C ATOM 1763 ND1 HIS B 51 -11.480 -0.565 -8.662 1.00 3.73 N ATOM 1764 CD2 HIS B 51 -11.993 -0.217 -10.753 1.00 3.63 C ATOM 1765 CE1 HIS B 51 -10.942 0.589 -9.008 1.00 4.57 C ATOM 1766 NE2 HIS B 51 -11.237 0.827 -10.272 1.00 4.53 N ATOM 0 H HIS B 51 -15.574 -0.697 -8.904 1.00 1.41 H new ATOM 0 HA HIS B 51 -14.712 -1.803 -10.606 1.00 1.55 H new ATOM 0 HB2 HIS B 51 -12.571 -2.941 -8.775 1.00 2.03 H new ATOM 0 HB3 HIS B 51 -12.587 -3.020 -10.525 1.00 2.03 H new ATOM 0 HD2 HIS B 51 -12.387 -0.315 -11.754 1.00 3.63 H new ATOM 0 HE1 HIS B 51 -10.358 1.231 -8.365 1.00 4.57 H new ATOM 0 HE2 HIS B 51 -10.952 1.649 -10.804 1.00 4.53 H new ATOM 1775 N GLY B 52 -15.306 -4.113 -8.349 1.00 2.12 N ATOM 1776 CA GLY B 52 -15.929 -5.405 -8.151 1.00 2.80 C ATOM 1777 C GLY B 52 -14.915 -6.517 -8.150 1.00 2.86 C ATOM 1778 O GLY B 52 -14.696 -7.189 -7.140 1.00 3.07 O ATOM 0 H GLY B 52 -15.079 -3.613 -7.489 1.00 2.12 H new ATOM 0 HA2 GLY B 52 -16.472 -5.406 -7.206 1.00 2.80 H new ATOM 0 HA3 GLY B 52 -16.661 -5.581 -8.939 1.00 2.80 H new ATOM 1782 N VAL B 53 -14.299 -6.698 -9.299 1.00 3.08 N ATOM 1783 CA VAL B 53 -13.269 -7.706 -9.483 1.00 3.27 C ATOM 1784 C VAL B 53 -12.014 -7.354 -8.678 1.00 2.62 C ATOM 1785 O VAL B 53 -11.768 -6.187 -8.368 1.00 2.40 O ATOM 1786 CB VAL B 53 -12.918 -7.860 -10.984 1.00 4.11 C ATOM 1787 CG1 VAL B 53 -12.256 -6.600 -11.523 1.00 4.23 C ATOM 1788 CG2 VAL B 53 -12.040 -9.080 -11.224 1.00 4.58 C ATOM 0 H VAL B 53 -14.497 -6.150 -10.136 1.00 3.08 H new ATOM 0 HA VAL B 53 -13.658 -8.657 -9.118 1.00 3.27 H new ATOM 0 HB VAL B 53 -13.851 -8.009 -11.527 1.00 4.11 H new ATOM 0 HG11 VAL B 53 -12.020 -6.736 -12.579 1.00 4.23 H new ATOM 0 HG12 VAL B 53 -12.935 -5.755 -11.409 1.00 4.23 H new ATOM 0 HG13 VAL B 53 -11.338 -6.406 -10.968 1.00 4.23 H new ATOM 0 HG21 VAL B 53 -11.811 -9.160 -12.287 1.00 4.58 H new ATOM 0 HG22 VAL B 53 -11.113 -8.978 -10.660 1.00 4.58 H new ATOM 0 HG23 VAL B 53 -12.566 -9.977 -10.897 1.00 4.58 H new ATOM 1798 N CYS B 54 -11.262 -8.384 -8.316 1.00 2.56 N ATOM 1799 CA CYS B 54 -10.004 -8.233 -7.596 1.00 1.99 C ATOM 1800 C CYS B 54 -9.002 -7.390 -8.385 1.00 2.09 C ATOM 1801 O CYS B 54 -8.169 -7.972 -9.110 1.00 2.54 O ATOM 1802 CB CYS B 54 -9.414 -9.618 -7.321 1.00 2.24 C ATOM 1803 SG CYS B 54 -9.524 -10.745 -8.732 1.00 3.21 S ATOM 1804 OXT CYS B 54 -9.034 -6.152 -8.272 1.00 2.48 O ATOM 0 H CYS B 54 -11.508 -9.354 -8.514 1.00 2.56 H new ATOM 0 HA CYS B 54 -10.205 -7.716 -6.658 1.00 1.99 H new ATOM 0 HB2 CYS B 54 -8.368 -9.508 -7.035 1.00 2.24 H new ATOM 0 HB3 CYS B 54 -9.932 -10.062 -6.471 1.00 2.24 H new ATOM 0 HG CYS B 54 -8.403 -11.391 -8.860 1.00 3.21 H new TER 1810 CYS B 54