USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1214 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 Single : A 1 MET CE :methyl -130:sc= -1.08 (180deg=-5.03!) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0163 (180deg=-0.177) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= -0.115 (180deg=-0.563) USER MOD Single : A 7 LYS NZ :NH3+ -138:sc= -1.41 (180deg=-3.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.67! C(o=-3.7!,f=-7.6!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 29 ASN : amide:sc= -8.22! C(o=-8.2!,f=-9.1!) USER MOD Single : A 31 GLN : amide:sc= -12.3! C(o=-12!,f=-15!) USER MOD Single : A 33 CYS SG : rot 25:sc= -6.34! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -9.19! C(o=-9.2!,f=-8.7!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00282 K(o=-0.0028,f=-1.2!) USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 61 TYR OH : rot 34:sc= 0.695 USER MOD Single : A 62 THR OG1 : rot 52:sc= -0.0908 USER MOD Single : A 64 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-3.9!) USER MOD Single : A 66 SER OG : rot 140:sc= 0 USER MOD Single : A 67 SER OG : rot -142:sc= -1.85! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.75) USER MOD Single : A 75 SER OG : rot -54:sc= -0.248! USER MOD Single : A 77 MET CE :methyl 180:sc=-0.000507 (180deg=-0.000507) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.022) USER MOD Single : B 1 MET CE :methyl -130:sc= -1.12 (180deg=-5.03!) USER MOD Single : B 1 MET N :NH3+ 169:sc= -0.0299 (180deg=-0.168) USER MOD Single : B 3 LYS NZ :NH3+ -164:sc= -0.119 (180deg=-0.569) USER MOD Single : B 7 LYS NZ :NH3+ -135:sc= -1.31 (180deg=-3.51!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -3.65! C(o=-3.7!,f=-7.8!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : B 29 ASN : amide:sc= -8.45! C(o=-8.4!,f=-9!) USER MOD Single : B 31 GLN : amide:sc= -12.4! C(o=-12!,f=-16!) USER MOD Single : B 33 CYS SG : rot 24:sc= -6.52! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -9.38! C(o=-9.4!,f=-8.7!) USER MOD Single : B 41 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.33) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 56 TYR OH : rot 165:sc= 0 USER MOD Single : B 61 TYR OH : rot 32:sc= 0.93 USER MOD Single : B 62 THR OG1 : rot 52:sc= 0.00675 USER MOD Single : B 64 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-3.7!) USER MOD Single : B 66 SER OG : rot 140:sc= 0 USER MOD Single : B 67 SER OG : rot -144:sc= -1.95! USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -3.06! K(o=-3.1!,f=-0.8) USER MOD Single : B 75 SER OG : rot -52:sc= -0.484! USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0204) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.880 17.715 2.757 1.00 42.32 N ATOM 2 CA MET A 1 -0.514 17.276 2.356 1.00 40.89 C ATOM 3 C MET A 1 -0.008 16.225 3.347 1.00 34.75 C ATOM 4 O MET A 1 1.180 16.081 3.556 1.00 33.97 O ATOM 5 CB MET A 1 0.434 18.492 2.349 1.00 48.45 C ATOM 6 CG MET A 1 1.131 18.639 3.710 1.00 56.13 C ATOM 7 SD MET A 1 1.480 20.388 4.026 1.00 64.91 S ATOM 8 CE MET A 1 0.064 20.711 5.106 1.00 63.43 C ATOM 0 H1 MET A 1 -2.145 18.563 2.217 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.561 16.954 2.561 1.00 42.32 H new ATOM 0 H3 MET A 1 -1.890 17.935 3.773 1.00 42.32 H new ATOM 0 HA MET A 1 -0.545 16.841 1.357 1.00 40.89 H new ATOM 0 HB2 MET A 1 1.180 18.375 1.563 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.128 19.398 2.122 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.498 18.235 4.500 1.00 56.13 H new ATOM 0 HG3 MET A 1 2.058 18.065 3.720 1.00 56.13 H new ATOM 0 HE1 MET A 1 -0.459 21.603 4.763 1.00 63.43 H new ATOM 0 HE2 MET A 1 -0.615 19.859 5.080 1.00 63.43 H new ATOM 0 HE3 MET A 1 0.413 20.865 6.127 1.00 63.43 H new ATOM 20 N ILE A 2 -0.890 15.500 3.972 1.00 28.59 N ATOM 21 CA ILE A 2 -0.431 14.485 4.957 1.00 24.58 C ATOM 22 C ILE A 2 0.423 15.193 6.001 1.00 19.29 C ATOM 23 O ILE A 2 1.621 15.306 5.860 1.00 19.53 O ATOM 24 CB ILE A 2 0.409 13.404 4.267 1.00 25.10 C ATOM 25 CG1 ILE A 2 0.245 13.491 2.742 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.050 12.029 4.759 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.750 12.203 2.096 1.00 33.80 C ATOM 0 H ILE A 2 -1.900 15.565 3.845 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.295 14.007 5.419 1.00 24.58 H new ATOM 0 HB ILE A 2 1.461 13.554 4.511 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -0.803 13.650 2.488 1.00 28.92 H new ATOM 0 HG13 ILE A 2 0.800 14.345 2.355 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.542 11.253 4.274 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.084 11.966 5.839 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.103 11.888 4.515 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.632 12.268 1.014 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.803 12.063 2.339 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.175 11.357 2.473 1.00 33.80 H new ATOM 39 N LYS A 3 -0.186 15.692 7.035 1.00 18.14 N ATOM 40 CA LYS A 3 0.594 16.420 8.072 1.00 16.66 C ATOM 41 C LYS A 3 1.016 15.467 9.189 1.00 14.94 C ATOM 42 O LYS A 3 0.533 14.358 9.298 1.00 13.94 O ATOM 43 CB LYS A 3 -0.263 17.542 8.659 1.00 16.94 C ATOM 44 CG LYS A 3 -0.236 18.751 7.722 1.00 17.85 C ATOM 45 CD LYS A 3 -1.182 19.830 8.253 1.00 19.63 C ATOM 46 CE LYS A 3 -0.370 21.049 8.696 1.00 26.28 C ATOM 47 NZ LYS A 3 -0.605 21.302 10.145 1.00 32.72 N ATOM 0 H LYS A 3 -1.189 15.628 7.209 1.00 18.14 H new ATOM 0 HA LYS A 3 1.488 16.839 7.610 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.288 17.197 8.795 1.00 16.94 H new ATOM 0 HB3 LYS A 3 0.112 17.823 9.643 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.778 19.145 7.649 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.535 18.452 6.717 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -1.895 20.116 7.480 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -1.760 19.441 9.091 1.00 19.63 H new ATOM 0 HE2 LYS A 3 0.691 20.879 8.513 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.658 21.923 8.112 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -0.285 22.262 10.386 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.620 21.213 10.353 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -0.074 20.608 10.709 1.00 32.72 H new ATOM 61 N VAL A 4 1.915 15.908 10.022 1.00 12.42 N ATOM 62 CA VAL A 4 2.385 15.058 11.148 1.00 12.99 C ATOM 63 C VAL A 4 3.291 15.891 12.056 1.00 14.26 C ATOM 64 O VAL A 4 3.749 16.957 11.695 1.00 13.80 O ATOM 65 CB VAL A 4 3.157 13.842 10.597 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.875 14.238 9.312 1.00 14.46 C ATOM 67 CG2 VAL A 4 4.188 13.347 11.624 1.00 10.41 C ATOM 0 H VAL A 4 2.348 16.830 9.970 1.00 12.42 H new ATOM 0 HA VAL A 4 1.531 14.698 11.721 1.00 12.99 H new ATOM 0 HB VAL A 4 2.448 13.039 10.395 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.421 13.380 8.921 1.00 14.46 H new ATOM 0 HG12 VAL A 4 3.144 14.570 8.574 1.00 14.46 H new ATOM 0 HG13 VAL A 4 4.574 15.048 9.520 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.723 12.489 11.218 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.896 14.146 11.842 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.677 13.055 12.541 1.00 10.41 H new ATOM 77 N GLU A 5 3.550 15.400 13.230 1.00 9.27 N ATOM 78 CA GLU A 5 4.425 16.134 14.182 1.00 10.51 C ATOM 79 C GLU A 5 5.295 15.133 14.923 1.00 10.00 C ATOM 80 O GLU A 5 4.828 14.361 15.733 1.00 10.96 O ATOM 81 CB GLU A 5 3.564 16.905 15.181 1.00 10.42 C ATOM 82 CG GLU A 5 3.157 18.239 14.561 1.00 18.68 C ATOM 83 CD GLU A 5 2.303 19.029 15.555 1.00 18.63 C ATOM 84 OE1 GLU A 5 2.601 18.973 16.737 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.366 19.676 15.117 1.00 19.38 O ATOM 0 H GLU A 5 3.189 14.511 13.576 1.00 9.27 H new ATOM 0 HA GLU A 5 5.054 16.838 13.637 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.679 16.325 15.441 1.00 10.42 H new ATOM 0 HB3 GLU A 5 4.118 17.073 16.105 1.00 10.42 H new ATOM 0 HG2 GLU A 5 4.044 18.812 14.293 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.598 18.068 13.641 1.00 18.68 H new ATOM 92 N ILE A 6 6.560 15.137 14.648 1.00 9.86 N ATOM 93 CA ILE A 6 7.457 14.178 15.347 1.00 10.60 C ATOM 94 C ILE A 6 7.609 14.632 16.807 1.00 10.16 C ATOM 95 O ILE A 6 8.355 15.540 17.114 1.00 11.64 O ATOM 96 CB ILE A 6 8.816 14.111 14.617 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.765 12.980 13.586 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.947 13.826 15.598 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.652 13.567 12.180 1.00 13.81 C ATOM 0 H ILE A 6 7.014 15.755 13.976 1.00 9.86 H new ATOM 0 HA ILE A 6 7.035 13.173 15.339 1.00 10.60 H new ATOM 0 HB ILE A 6 9.002 15.071 14.135 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.662 12.365 13.662 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.914 12.329 13.788 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.894 13.784 15.059 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.989 14.619 16.345 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.768 12.871 16.092 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.616 12.758 11.450 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.742 14.163 12.107 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.517 14.199 11.979 1.00 13.81 H new ATOM 111 N LYS A 7 6.891 14.001 17.707 1.00 11.63 N ATOM 112 CA LYS A 7 6.963 14.377 19.144 1.00 11.59 C ATOM 113 C LYS A 7 8.418 14.649 19.526 1.00 12.98 C ATOM 114 O LYS A 7 9.323 14.258 18.816 1.00 9.79 O ATOM 115 CB LYS A 7 6.410 13.211 19.971 1.00 12.52 C ATOM 116 CG LYS A 7 4.999 12.875 19.499 1.00 14.26 C ATOM 117 CD LYS A 7 4.162 14.154 19.431 1.00 15.70 C ATOM 118 CE LYS A 7 4.043 14.759 20.831 1.00 19.19 C ATOM 119 NZ LYS A 7 4.406 16.203 20.781 1.00 25.43 N ATOM 0 H LYS A 7 6.253 13.233 17.498 1.00 11.63 H new ATOM 0 HA LYS A 7 6.379 15.277 19.335 1.00 11.59 H new ATOM 0 HB2 LYS A 7 7.056 12.339 19.868 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.398 13.475 21.028 1.00 12.52 H new ATOM 0 HG2 LYS A 7 5.036 12.400 18.519 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.537 12.162 20.181 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.626 14.869 18.752 1.00 15.70 H new ATOM 0 HD3 LYS A 7 3.172 13.933 19.033 1.00 15.70 H new ATOM 0 HE2 LYS A 7 3.026 14.642 21.204 1.00 19.19 H new ATOM 0 HE3 LYS A 7 4.699 14.232 21.523 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 4.994 16.442 21.605 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.937 16.397 19.908 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.540 16.779 20.795 1.00 25.43 H new ATOM 133 N PRO A 8 8.606 15.305 20.644 1.00 13.56 N ATOM 134 CA PRO A 8 9.950 15.628 21.139 1.00 11.93 C ATOM 135 C PRO A 8 10.613 14.356 21.659 1.00 10.20 C ATOM 136 O PRO A 8 11.809 14.300 21.863 1.00 12.05 O ATOM 137 CB PRO A 8 9.697 16.647 22.254 1.00 12.78 C ATOM 138 CG PRO A 8 8.232 16.446 22.699 1.00 12.51 C ATOM 139 CD PRO A 8 7.508 15.771 21.519 1.00 13.61 C ATOM 0 HA PRO A 8 10.620 16.031 20.380 1.00 11.93 H new ATOM 0 HB2 PRO A 8 10.382 16.490 23.087 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.859 17.664 21.896 1.00 12.78 H new ATOM 0 HG2 PRO A 8 8.179 15.825 23.593 1.00 12.51 H new ATOM 0 HG3 PRO A 8 7.767 17.400 22.946 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.886 14.941 21.855 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.853 16.471 21.000 1.00 13.61 H new ATOM 147 N SER A 9 9.839 13.323 21.845 1.00 10.65 N ATOM 148 CA SER A 9 10.415 12.038 22.318 1.00 10.83 C ATOM 149 C SER A 9 10.669 11.137 21.105 1.00 10.94 C ATOM 150 O SER A 9 11.050 9.992 21.239 1.00 13.16 O ATOM 151 CB SER A 9 9.433 11.354 23.269 1.00 13.01 C ATOM 152 OG SER A 9 9.008 12.286 24.255 1.00 15.52 O ATOM 0 H SER A 9 8.831 13.315 21.689 1.00 10.65 H new ATOM 0 HA SER A 9 11.351 12.223 22.846 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.574 10.977 22.714 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.907 10.495 23.744 1.00 13.01 H new ATOM 0 HG SER A 9 8.377 11.851 24.866 1.00 15.52 H new ATOM 158 N GLN A 10 10.459 11.651 19.919 1.00 10.02 N ATOM 159 CA GLN A 10 10.685 10.831 18.698 1.00 11.55 C ATOM 160 C GLN A 10 11.640 11.571 17.760 1.00 13.72 C ATOM 161 O GLN A 10 11.508 11.505 16.556 1.00 17.31 O ATOM 162 CB GLN A 10 9.358 10.606 17.974 1.00 6.60 C ATOM 163 CG GLN A 10 8.254 10.339 18.994 1.00 7.20 C ATOM 164 CD GLN A 10 8.306 8.875 19.433 1.00 10.36 C ATOM 165 OE1 GLN A 10 9.345 8.248 19.377 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.220 8.299 19.872 1.00 4.80 N ATOM 0 H GLN A 10 10.140 12.605 19.747 1.00 10.02 H new ATOM 0 HA GLN A 10 11.113 9.871 18.986 1.00 11.55 H new ATOM 0 HB2 GLN A 10 9.108 11.480 17.373 1.00 6.60 H new ATOM 0 HB3 GLN A 10 9.445 9.763 17.289 1.00 6.60 H new ATOM 0 HG2 GLN A 10 8.377 10.993 19.857 1.00 7.20 H new ATOM 0 HG3 GLN A 10 7.280 10.565 18.559 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.347 8.825 19.919 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.244 7.323 20.168 1.00 4.80 H new ATOM 175 N ALA A 11 12.591 12.287 18.296 1.00 15.28 N ATOM 176 CA ALA A 11 13.536 13.038 17.419 1.00 18.95 C ATOM 177 C ALA A 11 14.798 12.210 17.180 1.00 20.75 C ATOM 178 O ALA A 11 15.766 12.683 16.619 1.00 24.78 O ATOM 179 CB ALA A 11 13.911 14.360 18.087 1.00 17.72 C ATOM 0 H ALA A 11 12.755 12.385 19.298 1.00 15.28 H new ATOM 0 HA ALA A 11 13.054 13.236 16.462 1.00 18.95 H new ATOM 0 HB1 ALA A 11 14.601 14.908 17.446 1.00 17.72 H new ATOM 0 HB2 ALA A 11 13.012 14.956 18.245 1.00 17.72 H new ATOM 0 HB3 ALA A 11 14.388 14.160 19.047 1.00 17.72 H new ATOM 185 N GLN A 12 14.796 10.978 17.598 1.00 22.50 N ATOM 186 CA GLN A 12 15.995 10.120 17.391 1.00 25.43 C ATOM 187 C GLN A 12 15.565 8.773 16.815 1.00 22.80 C ATOM 188 O GLN A 12 14.520 8.250 17.147 1.00 20.93 O ATOM 189 CB GLN A 12 16.702 9.902 18.727 1.00 30.18 C ATOM 190 CG GLN A 12 17.669 11.057 18.971 1.00 42.11 C ATOM 191 CD GLN A 12 18.309 10.910 20.353 1.00 46.61 C ATOM 192 OE1 GLN A 12 18.883 9.885 20.663 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.233 11.898 21.202 1.00 47.90 N ATOM 0 H GLN A 12 14.016 10.526 18.075 1.00 22.50 H new ATOM 0 HA GLN A 12 16.677 10.610 16.696 1.00 25.43 H new ATOM 0 HB2 GLN A 12 15.972 9.845 19.534 1.00 30.18 H new ATOM 0 HB3 GLN A 12 17.241 8.955 18.718 1.00 30.18 H new ATOM 0 HG2 GLN A 12 18.441 11.067 18.201 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.140 12.008 18.904 1.00 42.11 H new ATOM 0 HE21 GLN A 12 17.751 12.758 20.941 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.656 11.810 22.126 1.00 47.90 H new ATOM 202 N PHE A 13 16.361 8.206 15.953 1.00 21.61 N ATOM 203 CA PHE A 13 15.996 6.896 15.359 1.00 20.51 C ATOM 204 C PHE A 13 16.587 5.773 16.206 1.00 18.83 C ATOM 205 O PHE A 13 17.465 5.989 17.018 1.00 18.83 O ATOM 206 CB PHE A 13 16.570 6.809 13.950 1.00 19.56 C ATOM 207 CG PHE A 13 18.041 7.142 14.014 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.969 6.154 14.362 1.00 15.55 C ATOM 209 CD2 PHE A 13 18.475 8.444 13.735 1.00 20.50 C ATOM 210 CE1 PHE A 13 20.331 6.470 14.430 1.00 14.07 C ATOM 211 CE2 PHE A 13 19.834 8.758 13.802 1.00 20.75 C ATOM 212 CZ PHE A 13 20.760 7.773 14.150 1.00 18.48 C ATOM 0 H PHE A 13 17.249 8.595 15.635 1.00 21.61 H new ATOM 0 HA PHE A 13 14.911 6.800 15.326 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.425 5.809 13.542 1.00 19.56 H new ATOM 0 HB3 PHE A 13 16.053 7.502 13.286 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.635 5.150 14.578 1.00 15.55 H new ATOM 0 HD2 PHE A 13 17.758 9.206 13.468 1.00 20.50 H new ATOM 0 HE1 PHE A 13 21.050 5.710 14.698 1.00 14.07 H new ATOM 0 HE2 PHE A 13 20.168 9.762 13.585 1.00 20.75 H new ATOM 0 HZ PHE A 13 21.811 8.017 14.203 1.00 18.48 H new ATOM 222 N THR A 14 16.123 4.573 16.016 1.00 14.89 N ATOM 223 CA THR A 14 16.669 3.436 16.801 1.00 13.37 C ATOM 224 C THR A 14 16.860 2.235 15.876 1.00 11.97 C ATOM 225 O THR A 14 16.175 2.090 14.883 1.00 10.76 O ATOM 226 CB THR A 14 15.696 3.070 17.923 1.00 13.68 C ATOM 227 OG1 THR A 14 15.531 4.185 18.788 1.00 13.48 O ATOM 228 CG2 THR A 14 16.251 1.885 18.714 1.00 9.24 C ATOM 0 H THR A 14 15.389 4.330 15.351 1.00 14.89 H new ATOM 0 HA THR A 14 17.627 3.719 17.237 1.00 13.37 H new ATOM 0 HB THR A 14 14.732 2.798 17.494 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.906 3.952 19.506 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.557 1.624 19.514 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.376 1.030 18.049 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.216 2.154 19.144 1.00 9.24 H new ATOM 236 N THR A 15 17.785 1.374 16.190 1.00 13.20 N ATOM 237 CA THR A 15 18.016 0.187 15.323 1.00 12.54 C ATOM 238 C THR A 15 17.134 -0.968 15.799 1.00 14.34 C ATOM 239 O THR A 15 17.269 -1.449 16.907 1.00 17.35 O ATOM 240 CB THR A 15 19.486 -0.227 15.402 1.00 11.88 C ATOM 241 OG1 THR A 15 20.234 0.805 16.030 1.00 17.15 O ATOM 242 CG2 THR A 15 20.025 -0.466 13.991 1.00 8.30 C ATOM 0 H THR A 15 18.390 1.440 17.008 1.00 13.20 H new ATOM 0 HA THR A 15 17.766 0.436 14.292 1.00 12.54 H new ATOM 0 HB THR A 15 19.576 -1.145 15.983 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.176 0.540 16.083 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.073 -0.761 14.047 1.00 8.30 H new ATOM 0 HG22 THR A 15 19.450 -1.258 13.511 1.00 8.30 H new ATOM 0 HG23 THR A 15 19.937 0.451 13.408 1.00 8.30 H new ATOM 435 N LEU A 28 17.538 -1.404 10.379 1.00 18.57 N ATOM 436 CA LEU A 28 17.800 -0.015 9.908 1.00 16.31 C ATOM 437 C LEU A 28 17.279 0.995 10.935 1.00 14.21 C ATOM 438 O LEU A 28 16.240 0.806 11.536 1.00 16.97 O ATOM 439 CB LEU A 28 17.089 0.207 8.573 1.00 16.48 C ATOM 440 CG LEU A 28 17.993 1.003 7.634 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.829 0.477 6.205 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.599 2.481 7.684 1.00 22.01 C ATOM 0 HA LEU A 28 18.874 0.125 9.784 1.00 16.31 H new ATOM 0 HB2 LEU A 28 16.834 -0.752 8.122 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.153 0.743 8.733 1.00 16.48 H new ATOM 0 HG LEU A 28 19.032 0.893 7.944 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.473 1.044 5.533 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.106 -0.577 6.171 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.791 0.589 5.893 1.00 24.00 H new ATOM 0 HD21 LEU A 28 18.243 3.052 7.015 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.561 2.592 7.371 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.713 2.854 8.702 1.00 22.01 H new ATOM 454 N ASN A 29 17.992 2.072 11.132 1.00 11.64 N ATOM 455 CA ASN A 29 17.542 3.104 12.110 1.00 9.77 C ATOM 456 C ASN A 29 16.102 3.514 11.788 1.00 7.94 C ATOM 457 O ASN A 29 15.821 4.018 10.723 1.00 10.52 O ATOM 458 CB ASN A 29 18.449 4.331 11.999 1.00 14.73 C ATOM 459 CG ASN A 29 19.793 4.039 12.669 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.912 3.106 13.437 1.00 23.31 O ATOM 461 ND2 ASN A 29 20.817 4.804 12.407 1.00 12.89 N ATOM 0 H ASN A 29 18.869 2.282 10.656 1.00 11.64 H new ATOM 0 HA ASN A 29 17.591 2.697 13.120 1.00 9.77 H new ATOM 0 HB2 ASN A 29 18.602 4.589 10.951 1.00 14.73 H new ATOM 0 HB3 ASN A 29 17.974 5.190 12.473 1.00 14.73 H new ATOM 0 HD21 ASN A 29 21.718 4.618 12.847 1.00 12.89 H new ATOM 0 HD22 ASN A 29 20.716 5.588 11.762 1.00 12.89 H new ATOM 468 N GLU A 30 15.189 3.306 12.697 1.00 8.58 N ATOM 469 CA GLU A 30 13.771 3.694 12.433 1.00 13.16 C ATOM 470 C GLU A 30 13.397 4.875 13.332 1.00 12.26 C ATOM 471 O GLU A 30 14.093 5.189 14.276 1.00 10.58 O ATOM 472 CB GLU A 30 12.852 2.509 12.739 1.00 14.93 C ATOM 473 CG GLU A 30 12.720 1.628 11.496 1.00 27.13 C ATOM 474 CD GLU A 30 12.550 0.168 11.921 1.00 33.28 C ATOM 475 OE1 GLU A 30 11.656 -0.100 12.706 1.00 40.03 O ATOM 476 OE2 GLU A 30 13.318 -0.657 11.454 1.00 38.01 O ATOM 0 H GLU A 30 15.361 2.885 13.610 1.00 8.58 H new ATOM 0 HA GLU A 30 13.658 3.979 11.387 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.255 1.928 13.568 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.870 2.868 13.049 1.00 14.93 H new ATOM 0 HG2 GLU A 30 11.864 1.947 10.901 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.604 1.734 10.867 1.00 27.13 H new ATOM 483 N GLN A 31 12.303 5.534 13.052 1.00 10.34 N ATOM 484 CA GLN A 31 11.897 6.693 13.901 1.00 9.46 C ATOM 485 C GLN A 31 10.372 6.735 14.029 1.00 10.09 C ATOM 486 O GLN A 31 9.656 6.116 13.268 1.00 9.36 O ATOM 487 CB GLN A 31 12.388 7.997 13.260 1.00 7.25 C ATOM 488 CG GLN A 31 12.870 8.964 14.344 1.00 10.62 C ATOM 489 CD GLN A 31 12.066 10.262 14.254 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.879 10.237 14.006 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.667 11.403 14.442 1.00 12.39 N ATOM 0 H GLN A 31 11.676 5.321 12.276 1.00 10.34 H new ATOM 0 HA GLN A 31 12.340 6.582 14.891 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.199 7.786 12.562 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.583 8.455 12.685 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.748 8.514 15.329 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.933 9.171 14.217 1.00 10.62 H new ATOM 0 HE21 GLN A 31 13.665 11.425 14.651 1.00 12.39 H new ATOM 0 HE22 GLN A 31 12.139 12.274 14.381 1.00 12.39 H new ATOM 500 N LEU A 32 9.874 7.460 14.993 1.00 6.80 N ATOM 501 CA LEU A 32 8.400 7.548 15.189 1.00 10.34 C ATOM 502 C LEU A 32 7.878 8.883 14.643 1.00 9.02 C ATOM 503 O LEU A 32 8.634 9.703 14.166 1.00 11.15 O ATOM 504 CB LEU A 32 8.104 7.446 16.678 1.00 10.20 C ATOM 505 CG LEU A 32 8.111 5.974 17.086 1.00 16.38 C ATOM 506 CD1 LEU A 32 6.854 5.284 16.552 1.00 17.42 C ATOM 507 CD2 LEU A 32 9.355 5.285 16.514 1.00 15.89 C ATOM 0 H LEU A 32 10.429 7.999 15.658 1.00 6.80 H new ATOM 0 HA LEU A 32 7.905 6.738 14.654 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.850 7.999 17.249 1.00 10.20 H new ATOM 0 HB3 LEU A 32 7.136 7.894 16.901 1.00 10.20 H new ATOM 0 HG LEU A 32 8.127 5.905 18.174 1.00 16.38 H new ATOM 0 HD11 LEU A 32 6.863 4.234 16.845 1.00 17.42 H new ATOM 0 HD12 LEU A 32 5.969 5.769 16.965 1.00 17.42 H new ATOM 0 HD13 LEU A 32 6.833 5.357 15.465 1.00 17.42 H new ATOM 0 HD21 LEU A 32 9.357 4.235 16.807 1.00 15.89 H new ATOM 0 HD22 LEU A 32 9.344 5.358 15.427 1.00 15.89 H new ATOM 0 HD23 LEU A 32 10.251 5.771 16.901 1.00 15.89 H new ATOM 519 N CYS A 33 6.590 9.109 14.705 1.00 9.68 N ATOM 520 CA CYS A 33 6.031 10.386 14.186 1.00 8.10 C ATOM 521 C CYS A 33 4.534 10.424 14.494 1.00 6.34 C ATOM 522 O CYS A 33 3.916 9.404 14.715 1.00 8.02 O ATOM 523 CB CYS A 33 6.233 10.489 12.668 1.00 8.88 C ATOM 524 SG CYS A 33 6.615 8.866 11.954 1.00 13.84 S ATOM 0 H CYS A 33 5.904 8.462 15.093 1.00 9.68 H new ATOM 0 HA CYS A 33 6.545 11.220 14.664 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.333 10.892 12.204 1.00 8.88 H new ATOM 0 HB3 CYS A 33 7.043 11.186 12.451 1.00 8.88 H new ATOM 0 HG CYS A 33 6.144 7.931 12.725 1.00 13.84 H new ATOM 530 N TYR A 34 3.942 11.585 14.502 1.00 7.35 N ATOM 531 CA TYR A 34 2.483 11.675 14.791 1.00 7.08 C ATOM 532 C TYR A 34 1.767 12.163 13.534 1.00 7.71 C ATOM 533 O TYR A 34 1.737 13.343 13.251 1.00 7.80 O ATOM 534 CB TYR A 34 2.244 12.682 15.914 1.00 8.67 C ATOM 535 CG TYR A 34 2.333 12.016 17.270 1.00 9.11 C ATOM 536 CD1 TYR A 34 3.230 10.970 17.503 1.00 13.61 C ATOM 537 CD2 TYR A 34 1.507 12.477 18.306 1.00 12.44 C ATOM 538 CE1 TYR A 34 3.297 10.385 18.773 1.00 17.22 C ATOM 539 CE2 TYR A 34 1.576 11.892 19.568 1.00 16.38 C ATOM 540 CZ TYR A 34 2.468 10.848 19.801 1.00 16.83 C ATOM 541 OH TYR A 34 2.537 10.269 21.052 1.00 21.14 O ATOM 0 H TYR A 34 4.405 12.476 14.321 1.00 7.35 H new ATOM 0 HA TYR A 34 2.107 10.697 15.091 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.979 13.484 15.850 1.00 8.67 H new ATOM 0 HB3 TYR A 34 1.262 13.140 15.794 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.868 10.615 16.707 1.00 13.61 H new ATOM 0 HD2 TYR A 34 0.816 13.287 18.125 1.00 12.44 H new ATOM 0 HE1 TYR A 34 3.988 9.576 18.959 1.00 17.22 H new ATOM 0 HE2 TYR A 34 0.939 12.247 20.365 1.00 16.38 H new ATOM 0 HH TYR A 34 1.897 10.707 21.651 1.00 21.14 H new ATOM 551 N VAL A 35 1.207 11.273 12.769 1.00 9.44 N ATOM 552 CA VAL A 35 0.517 11.703 11.520 1.00 10.66 C ATOM 553 C VAL A 35 -1.000 11.592 11.676 1.00 10.57 C ATOM 554 O VAL A 35 -1.521 10.570 12.075 1.00 8.31 O ATOM 555 CB VAL A 35 0.966 10.806 10.367 1.00 10.22 C ATOM 556 CG1 VAL A 35 0.482 11.399 9.042 1.00 7.97 C ATOM 557 CG2 VAL A 35 2.494 10.714 10.359 1.00 9.86 C ATOM 0 H VAL A 35 1.196 10.269 12.951 1.00 9.44 H new ATOM 0 HA VAL A 35 0.775 12.742 11.316 1.00 10.66 H new ATOM 0 HB VAL A 35 0.543 9.809 10.494 1.00 10.22 H new ATOM 0 HG11 VAL A 35 0.802 10.760 8.219 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -0.606 11.465 9.049 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.905 12.395 8.913 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.816 10.074 9.537 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.918 11.710 10.231 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.838 10.292 11.303 1.00 9.86 H new ATOM 567 N ASP A 36 -1.718 12.630 11.341 1.00 8.58 N ATOM 568 CA ASP A 36 -3.191 12.572 11.443 1.00 11.48 C ATOM 569 C ASP A 36 -3.726 11.853 10.203 1.00 12.38 C ATOM 570 O ASP A 36 -4.744 11.193 10.244 1.00 11.89 O ATOM 571 CB ASP A 36 -3.763 13.990 11.505 1.00 16.17 C ATOM 572 CG ASP A 36 -3.453 14.724 10.198 1.00 17.97 C ATOM 573 OD1 ASP A 36 -2.284 14.841 9.871 1.00 25.89 O ATOM 574 OD2 ASP A 36 -4.391 15.155 9.548 1.00 15.67 O ATOM 0 H ASP A 36 -1.340 13.514 11.001 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.485 12.038 12.346 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -4.840 13.952 11.666 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.333 14.530 12.349 1.00 16.17 H new ATOM 579 N LEU A 37 -3.018 11.984 9.106 1.00 13.17 N ATOM 580 CA LEU A 37 -3.422 11.325 7.826 1.00 18.47 C ATOM 581 C LEU A 37 -4.943 11.203 7.729 1.00 21.14 C ATOM 582 O LEU A 37 -5.466 10.206 7.271 1.00 24.24 O ATOM 583 CB LEU A 37 -2.787 9.931 7.724 1.00 15.81 C ATOM 584 CG LEU A 37 -2.511 9.366 9.119 1.00 20.59 C ATOM 585 CD1 LEU A 37 -3.810 8.825 9.715 1.00 14.72 C ATOM 586 CD2 LEU A 37 -1.487 8.231 9.010 1.00 20.01 C ATOM 0 H LEU A 37 -2.160 12.532 9.045 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.069 11.946 7.002 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.452 9.261 7.178 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -1.857 9.989 7.158 1.00 15.81 H new ATOM 0 HG LEU A 37 -2.118 10.153 9.762 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -3.614 8.422 10.709 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -4.540 9.631 9.787 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -4.203 8.035 9.075 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -1.287 7.825 10.002 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -1.883 7.444 8.369 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -0.561 8.616 8.582 1.00 20.01 H new ATOM 598 N GLY A 38 -5.659 12.213 8.137 1.00 20.70 N ATOM 599 CA GLY A 38 -7.140 12.154 8.043 1.00 23.91 C ATOM 600 C GLY A 38 -7.756 11.846 9.414 1.00 26.50 C ATOM 601 O GLY A 38 -8.888 11.416 9.511 1.00 31.02 O ATOM 0 H GLY A 38 -5.281 13.075 8.531 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.524 13.104 7.671 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.434 11.388 7.326 1.00 23.91 H new ATOM 605 N ASN A 39 -7.032 12.080 10.477 1.00 27.64 N ATOM 606 CA ASN A 39 -7.583 11.824 11.831 1.00 30.27 C ATOM 607 C ASN A 39 -7.233 13.016 12.723 1.00 26.79 C ATOM 608 O ASN A 39 -6.108 13.173 13.150 1.00 26.87 O ATOM 609 CB ASN A 39 -6.994 10.537 12.431 1.00 35.62 C ATOM 610 CG ASN A 39 -6.759 9.492 11.334 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.436 9.487 10.326 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.825 8.591 11.497 1.00 39.63 N ATOM 0 H ASN A 39 -6.078 12.440 10.460 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.664 11.698 11.764 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.054 10.761 12.936 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.672 10.136 13.184 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.666 7.885 10.778 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.256 8.594 12.343 1.00 39.63 H new ATOM 619 N GLU A 40 -8.193 13.864 12.973 1.00 25.15 N ATOM 620 CA GLU A 40 -7.968 15.084 13.813 1.00 23.81 C ATOM 621 C GLU A 40 -6.870 14.852 14.851 1.00 21.12 C ATOM 622 O GLU A 40 -6.075 15.725 15.136 1.00 19.86 O ATOM 623 CB GLU A 40 -9.270 15.451 14.528 1.00 27.22 C ATOM 624 CG GLU A 40 -10.371 15.691 13.493 1.00 34.87 C ATOM 625 CD GLU A 40 -11.526 14.719 13.741 1.00 38.97 C ATOM 626 OE1 GLU A 40 -12.169 14.844 14.770 1.00 42.34 O ATOM 627 OE2 GLU A 40 -11.748 13.866 12.897 1.00 39.54 O ATOM 0 H GLU A 40 -9.146 13.763 12.624 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.652 15.896 13.158 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.563 14.650 15.207 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -9.125 16.345 15.134 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -10.727 16.719 13.557 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -9.975 15.553 12.487 1.00 34.87 H new ATOM 634 N HIS A 41 -6.820 13.687 15.413 1.00 6.30 N ATOM 635 CA HIS A 41 -5.771 13.393 16.433 1.00 5.74 C ATOM 636 C HIS A 41 -4.524 12.851 15.730 1.00 4.51 C ATOM 637 O HIS A 41 -4.619 12.271 14.668 1.00 3.53 O ATOM 638 CB HIS A 41 -6.297 12.351 17.423 1.00 6.59 C ATOM 639 CG HIS A 41 -7.262 13.005 18.372 1.00 5.77 C ATOM 640 ND1 HIS A 41 -8.495 13.487 17.958 1.00 6.33 N ATOM 641 CD2 HIS A 41 -7.191 13.266 19.718 1.00 5.05 C ATOM 642 CE1 HIS A 41 -9.109 14.007 19.036 1.00 5.84 C ATOM 643 NE2 HIS A 41 -8.359 13.898 20.135 1.00 5.07 N ATOM 0 H HIS A 41 -7.459 12.918 15.214 1.00 6.30 H new ATOM 0 HA HIS A 41 -5.518 14.306 16.973 1.00 5.74 H new ATOM 0 HB2 HIS A 41 -6.790 11.541 16.887 1.00 6.59 H new ATOM 0 HB3 HIS A 41 -5.469 11.909 17.977 1.00 6.59 H new ATOM 0 HD2 HIS A 41 -6.356 13.019 20.356 1.00 5.05 H new ATOM 0 HE1 HIS A 41 -10.090 14.458 19.015 1.00 5.84 H new ATOM 0 HE2 HIS A 41 -8.592 14.211 21.078 1.00 5.07 H new ATOM 651 N PRO A 42 -3.387 13.052 16.343 1.00 15.11 N ATOM 652 CA PRO A 42 -2.105 12.591 15.788 1.00 16.08 C ATOM 653 C PRO A 42 -1.945 11.093 15.998 1.00 17.92 C ATOM 654 O PRO A 42 -2.414 10.540 16.972 1.00 17.13 O ATOM 655 CB PRO A 42 -1.058 13.340 16.605 1.00 16.41 C ATOM 656 CG PRO A 42 -1.749 13.744 17.926 1.00 13.79 C ATOM 657 CD PRO A 42 -3.267 13.746 17.642 1.00 16.28 C ATOM 0 HA PRO A 42 -2.024 12.775 14.717 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.190 12.709 16.797 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.701 14.219 16.068 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.504 13.042 18.723 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.414 14.728 18.254 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.820 13.227 18.425 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.662 14.760 17.591 1.00 16.28 H new ATOM 665 N VAL A 43 -1.276 10.432 15.104 1.00 16.29 N ATOM 666 CA VAL A 43 -1.083 8.980 15.278 1.00 14.28 C ATOM 667 C VAL A 43 0.405 8.674 15.366 1.00 9.00 C ATOM 668 O VAL A 43 1.163 8.928 14.452 1.00 7.99 O ATOM 669 CB VAL A 43 -1.713 8.233 14.098 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.031 8.908 13.715 1.00 18.07 C ATOM 671 CG2 VAL A 43 -0.764 8.251 12.892 1.00 20.57 C ATOM 0 H VAL A 43 -0.858 10.835 14.265 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.566 8.652 16.198 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.897 7.199 14.390 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.481 8.378 12.875 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.712 8.885 14.566 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -2.841 9.943 13.431 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.223 7.717 12.060 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -0.569 9.282 12.598 1.00 20.57 H new ATOM 0 HG23 VAL A 43 0.175 7.766 13.160 1.00 20.57 H new ATOM 681 N LEU A 44 0.828 8.126 16.463 1.00 10.19 N ATOM 682 CA LEU A 44 2.260 7.800 16.609 1.00 11.55 C ATOM 683 C LEU A 44 2.584 6.626 15.690 1.00 10.61 C ATOM 684 O LEU A 44 2.155 5.511 15.908 1.00 13.49 O ATOM 685 CB LEU A 44 2.551 7.439 18.056 1.00 10.60 C ATOM 686 CG LEU A 44 4.006 7.001 18.182 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.914 8.024 17.498 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.377 6.894 19.663 1.00 20.21 C ATOM 0 H LEU A 44 0.242 7.891 17.264 1.00 10.19 H new ATOM 0 HA LEU A 44 2.877 8.656 16.336 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.360 8.296 18.702 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.888 6.638 18.384 1.00 10.60 H new ATOM 0 HG LEU A 44 4.135 6.031 17.703 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.953 7.707 17.590 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.649 8.098 16.443 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.788 8.997 17.972 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.417 6.581 19.756 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.246 7.864 20.142 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.733 6.160 20.147 1.00 20.21 H new ATOM 700 N VAL A 45 3.318 6.882 14.650 1.00 10.81 N ATOM 701 CA VAL A 45 3.658 5.802 13.686 1.00 9.29 C ATOM 702 C VAL A 45 5.175 5.652 13.594 1.00 9.95 C ATOM 703 O VAL A 45 5.923 6.467 14.096 1.00 9.36 O ATOM 704 CB VAL A 45 3.065 6.165 12.325 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.846 5.489 11.192 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.607 5.704 12.281 1.00 10.20 C ATOM 0 H VAL A 45 3.701 7.800 14.423 1.00 10.81 H new ATOM 0 HA VAL A 45 3.244 4.850 14.019 1.00 9.29 H new ATOM 0 HB VAL A 45 3.126 7.245 12.190 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.406 5.762 10.233 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.885 5.817 11.220 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.803 4.407 11.316 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.174 5.958 11.314 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.562 4.625 12.426 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.045 6.200 13.072 1.00 10.20 H new ATOM 716 N LYS A 46 5.633 4.607 12.964 1.00 10.76 N ATOM 717 CA LYS A 46 7.100 4.397 12.850 1.00 12.81 C ATOM 718 C LYS A 46 7.636 5.077 11.588 1.00 13.35 C ATOM 719 O LYS A 46 6.922 5.755 10.879 1.00 12.90 O ATOM 720 CB LYS A 46 7.398 2.898 12.788 1.00 17.04 C ATOM 721 CG LYS A 46 7.433 2.325 14.206 1.00 26.60 C ATOM 722 CD LYS A 46 8.761 1.601 14.432 1.00 33.77 C ATOM 723 CE LYS A 46 8.493 0.222 15.036 1.00 34.48 C ATOM 724 NZ LYS A 46 9.446 -0.025 16.154 1.00 36.74 N ATOM 0 H LYS A 46 5.055 3.891 12.524 1.00 10.76 H new ATOM 0 HA LYS A 46 7.588 4.833 13.721 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.636 2.389 12.198 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.353 2.727 12.292 1.00 17.04 H new ATOM 0 HG2 LYS A 46 7.315 3.126 14.936 1.00 26.60 H new ATOM 0 HG3 LYS A 46 6.601 1.635 14.351 1.00 26.60 H new ATOM 0 HD2 LYS A 46 9.297 1.499 13.488 1.00 33.77 H new ATOM 0 HD3 LYS A 46 9.397 2.184 15.098 1.00 33.77 H new ATOM 0 HE2 LYS A 46 7.467 0.166 15.400 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.603 -0.549 14.273 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 9.264 -0.963 16.565 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 10.421 0.012 15.794 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.320 0.704 16.885 1.00 36.74 H new ATOM 738 N ILE A 47 8.897 4.900 11.308 1.00 13.96 N ATOM 739 CA ILE A 47 9.490 5.532 10.099 1.00 16.93 C ATOM 740 C ILE A 47 10.885 4.945 9.858 1.00 16.52 C ATOM 741 O ILE A 47 11.401 4.193 10.661 1.00 17.67 O ATOM 742 CB ILE A 47 9.565 7.060 10.308 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.151 7.769 9.023 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.987 7.504 10.674 1.00 18.08 C ATOM 745 CD1 ILE A 47 7.968 8.695 9.311 1.00 18.26 C ATOM 0 H ILE A 47 9.544 4.343 11.867 1.00 13.96 H new ATOM 0 HA ILE A 47 8.871 5.331 9.225 1.00 16.93 H new ATOM 0 HB ILE A 47 8.893 7.320 11.126 1.00 19.74 H new ATOM 0 HG12 ILE A 47 9.988 8.343 8.626 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.877 7.037 8.263 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.006 8.585 10.814 1.00 18.08 H new ATOM 0 HG22 ILE A 47 11.295 7.013 11.597 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.672 7.230 9.871 1.00 18.08 H new ATOM 0 HD11 ILE A 47 7.671 9.202 8.393 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.130 8.109 9.689 1.00 18.26 H new ATOM 0 HD13 ILE A 47 8.258 9.435 10.057 1.00 18.26 H new ATOM 757 N THR A 48 11.499 5.290 8.763 1.00 16.86 N ATOM 758 CA THR A 48 12.860 4.762 8.479 1.00 16.59 C ATOM 759 C THR A 48 13.877 5.895 8.620 1.00 19.04 C ATOM 760 O THR A 48 13.598 7.037 8.313 1.00 22.56 O ATOM 761 CB THR A 48 12.908 4.204 7.058 1.00 16.30 C ATOM 762 OG1 THR A 48 12.107 3.033 6.981 1.00 17.90 O ATOM 763 CG2 THR A 48 14.352 3.863 6.690 1.00 16.02 C ATOM 0 H THR A 48 11.117 5.915 8.053 1.00 16.86 H new ATOM 0 HA THR A 48 13.098 3.966 9.184 1.00 16.59 H new ATOM 0 HB THR A 48 12.525 4.951 6.362 1.00 16.30 H new ATOM 0 HG1 THR A 48 12.136 2.676 6.069 1.00 17.90 H new ATOM 0 HG21 THR A 48 14.385 3.465 5.676 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.964 4.763 6.746 1.00 16.02 H new ATOM 0 HG23 THR A 48 14.738 3.117 7.385 1.00 16.02 H new ATOM 771 N LEU A 49 15.051 5.588 9.090 1.00 18.35 N ATOM 772 CA LEU A 49 16.087 6.640 9.264 1.00 18.82 C ATOM 773 C LEU A 49 17.376 6.192 8.569 1.00 20.06 C ATOM 774 O LEU A 49 18.128 5.393 9.088 1.00 18.35 O ATOM 775 CB LEU A 49 16.336 6.846 10.765 1.00 18.79 C ATOM 776 CG LEU A 49 17.235 8.064 11.022 1.00 18.24 C ATOM 777 CD1 LEU A 49 18.699 7.620 11.066 1.00 20.41 C ATOM 778 CD2 LEU A 49 17.055 9.120 9.923 1.00 14.50 C ATOM 0 H LEU A 49 15.339 4.648 9.363 1.00 18.35 H new ATOM 0 HA LEU A 49 15.754 7.579 8.823 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.384 6.980 11.278 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.801 5.954 11.184 1.00 18.79 H new ATOM 0 HG LEU A 49 16.951 8.506 11.977 1.00 18.24 H new ATOM 0 HD11 LEU A 49 19.336 8.485 11.248 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.835 6.894 11.867 1.00 20.41 H new ATOM 0 HD13 LEU A 49 18.970 7.164 10.114 1.00 20.41 H new ATOM 0 HD21 LEU A 49 17.702 9.973 10.128 1.00 14.50 H new ATOM 0 HD22 LEU A 49 17.318 8.689 8.957 1.00 14.50 H new ATOM 0 HD23 LEU A 49 16.016 9.450 9.902 1.00 14.50 H new ATOM 790 N ASP A 50 17.626 6.695 7.389 1.00 22.62 N ATOM 791 CA ASP A 50 18.855 6.297 6.644 1.00 27.04 C ATOM 792 C ASP A 50 20.046 6.222 7.600 1.00 27.73 C ATOM 793 O ASP A 50 20.314 7.141 8.348 1.00 26.65 O ATOM 794 CB ASP A 50 19.143 7.329 5.552 1.00 29.11 C ATOM 795 CG ASP A 50 18.448 6.911 4.255 1.00 30.37 C ATOM 796 OD1 ASP A 50 17.427 6.248 4.340 1.00 33.99 O ATOM 797 OD2 ASP A 50 18.948 7.260 3.199 1.00 30.76 O ATOM 0 H ASP A 50 17.029 7.367 6.908 1.00 22.62 H new ATOM 0 HA ASP A 50 18.698 5.317 6.193 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.791 8.312 5.865 1.00 29.11 H new ATOM 0 HB3 ASP A 50 20.218 7.412 5.390 1.00 29.11 H new ATOM 802 N GLU A 51 20.768 5.134 7.576 1.00 31.16 N ATOM 803 CA GLU A 51 21.945 5.001 8.476 1.00 34.22 C ATOM 804 C GLU A 51 22.842 6.227 8.313 1.00 34.98 C ATOM 805 O GLU A 51 23.608 6.328 7.376 1.00 34.19 O ATOM 806 CB GLU A 51 22.727 3.741 8.103 1.00 38.24 C ATOM 807 CG GLU A 51 24.000 3.666 8.943 1.00 46.84 C ATOM 808 CD GLU A 51 25.215 3.536 8.022 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.079 2.917 6.980 1.00 53.83 O ATOM 810 OE2 GLU A 51 26.260 4.057 8.375 1.00 54.92 O ATOM 0 H GLU A 51 20.592 4.332 6.971 1.00 31.16 H new ATOM 0 HA GLU A 51 21.612 4.927 9.511 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.114 2.856 8.272 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.978 3.756 7.043 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.093 4.559 9.561 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.951 2.813 9.620 1.00 46.84 H new ATOM 817 N GLY A 52 22.750 7.164 9.215 1.00 34.53 N ATOM 818 CA GLY A 52 23.593 8.387 9.108 1.00 34.93 C ATOM 819 C GLY A 52 22.692 9.620 9.092 1.00 36.10 C ATOM 820 O GLY A 52 23.015 10.646 9.657 1.00 35.97 O ATOM 0 H GLY A 52 22.127 7.136 10.022 1.00 34.53 H new ATOM 0 HA2 GLY A 52 24.286 8.440 9.948 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.195 8.350 8.200 1.00 34.93 H new ATOM 824 N GLN A 53 21.558 9.528 8.452 1.00 36.52 N ATOM 825 CA GLN A 53 20.635 10.694 8.407 1.00 35.40 C ATOM 826 C GLN A 53 20.155 11.006 9.826 1.00 31.02 C ATOM 827 O GLN A 53 20.087 10.127 10.662 1.00 29.05 O ATOM 828 CB GLN A 53 19.431 10.361 7.522 1.00 41.20 C ATOM 829 CG GLN A 53 19.549 11.113 6.194 1.00 47.61 C ATOM 830 CD GLN A 53 18.177 11.175 5.520 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.286 10.422 5.859 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.968 12.047 4.572 1.00 54.76 N ATOM 0 H GLN A 53 21.232 8.696 7.959 1.00 36.52 H new ATOM 0 HA GLN A 53 21.155 11.559 7.995 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.385 9.287 7.341 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.506 10.639 8.028 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.927 12.121 6.367 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.264 10.611 5.542 1.00 47.61 H new ATOM 0 HE21 GLN A 53 18.716 12.680 4.287 1.00 54.76 H new ATOM 0 HE22 GLN A 53 17.057 12.096 4.116 1.00 54.76 H new ATOM 841 N PRO A 54 19.838 12.253 10.057 1.00 27.43 N ATOM 842 CA PRO A 54 19.362 12.718 11.368 1.00 23.44 C ATOM 843 C PRO A 54 17.897 12.325 11.575 1.00 20.14 C ATOM 844 O PRO A 54 17.024 12.746 10.843 1.00 21.64 O ATOM 845 CB PRO A 54 19.520 14.236 11.294 1.00 24.39 C ATOM 846 CG PRO A 54 19.537 14.595 9.793 1.00 27.18 C ATOM 847 CD PRO A 54 19.922 13.313 9.034 1.00 28.37 C ATOM 0 HA PRO A 54 19.911 12.282 12.202 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.698 14.738 11.805 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.441 14.556 11.781 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.560 14.957 9.471 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.253 15.392 9.594 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.242 13.121 8.204 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.925 13.384 8.614 1.00 28.37 H new ATOM 855 N ALA A 55 17.627 11.517 12.566 1.00 17.21 N ATOM 856 CA ALA A 55 16.225 11.087 12.829 1.00 15.58 C ATOM 857 C ALA A 55 15.270 12.268 12.627 1.00 16.41 C ATOM 858 O ALA A 55 15.621 13.408 12.857 1.00 13.65 O ATOM 859 CB ALA A 55 16.123 10.588 14.270 1.00 13.98 C ATOM 0 H ALA A 55 18.322 11.135 13.207 1.00 17.21 H new ATOM 0 HA ALA A 55 15.952 10.289 12.138 1.00 15.58 H new ATOM 0 HB1 ALA A 55 15.100 10.271 14.474 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.800 9.745 14.412 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.396 11.392 14.954 1.00 13.98 H new ATOM 865 N TYR A 56 14.065 12.002 12.196 1.00 15.93 N ATOM 866 CA TYR A 56 13.091 13.110 11.977 1.00 14.61 C ATOM 867 C TYR A 56 13.071 14.025 13.202 1.00 15.51 C ATOM 868 O TYR A 56 12.371 13.781 14.163 1.00 17.19 O ATOM 869 CB TYR A 56 11.690 12.525 11.743 1.00 12.92 C ATOM 870 CG TYR A 56 11.653 11.784 10.416 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.825 11.642 9.653 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.455 11.236 9.957 1.00 7.14 C ATOM 873 CE1 TYR A 56 12.789 10.954 8.436 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.423 10.549 8.742 1.00 7.90 C ATOM 875 CZ TYR A 56 11.586 10.407 7.981 1.00 10.29 C ATOM 876 OH TYR A 56 11.547 9.726 6.782 1.00 12.03 O ATOM 0 H TYR A 56 13.714 11.067 11.987 1.00 15.93 H new ATOM 0 HA TYR A 56 13.390 13.688 11.102 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.429 11.847 12.555 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.948 13.324 11.744 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.754 12.064 10.007 1.00 12.42 H new ATOM 0 HD2 TYR A 56 9.553 11.343 10.541 1.00 7.14 H new ATOM 0 HE1 TYR A 56 13.689 10.846 7.849 1.00 11.47 H new ATOM 0 HE2 TYR A 56 9.495 10.125 8.389 1.00 7.90 H new ATOM 0 HH TYR A 56 10.715 9.211 6.725 1.00 12.03 H new ATOM 886 N ALA A 57 13.829 15.086 13.171 1.00 13.38 N ATOM 887 CA ALA A 57 13.846 16.021 14.329 1.00 14.95 C ATOM 888 C ALA A 57 12.405 16.355 14.732 1.00 15.46 C ATOM 889 O ALA A 57 11.470 15.958 14.066 1.00 17.82 O ATOM 890 CB ALA A 57 14.575 17.306 13.935 1.00 14.98 C ATOM 0 H ALA A 57 14.437 15.345 12.394 1.00 13.38 H new ATOM 0 HA ALA A 57 14.361 15.554 15.168 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.588 17.991 14.782 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.598 17.069 13.644 1.00 14.98 H new ATOM 0 HB3 ALA A 57 14.059 17.775 13.097 1.00 14.98 H new ATOM 896 N PRO A 58 12.273 17.078 15.815 1.00 15.20 N ATOM 897 CA PRO A 58 10.960 17.489 16.341 1.00 16.55 C ATOM 898 C PRO A 58 10.412 18.675 15.540 1.00 16.75 C ATOM 899 O PRO A 58 11.063 19.691 15.400 1.00 17.28 O ATOM 900 CB PRO A 58 11.267 17.903 17.784 1.00 15.65 C ATOM 901 CG PRO A 58 12.775 18.248 17.827 1.00 14.16 C ATOM 902 CD PRO A 58 13.422 17.553 16.614 1.00 13.96 C ATOM 0 HA PRO A 58 10.207 16.704 16.277 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.663 18.761 18.079 1.00 15.65 H new ATOM 0 HB3 PRO A 58 11.033 17.096 18.478 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.927 19.326 17.782 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.225 17.901 18.757 1.00 14.16 H new ATOM 0 HD2 PRO A 58 14.045 18.243 16.045 1.00 13.96 H new ATOM 0 HD3 PRO A 58 14.062 16.726 16.923 1.00 13.96 H new ATOM 910 N GLY A 59 9.223 18.556 15.012 1.00 17.22 N ATOM 911 CA GLY A 59 8.649 19.682 14.224 1.00 15.08 C ATOM 912 C GLY A 59 7.459 19.190 13.396 1.00 14.96 C ATOM 913 O GLY A 59 7.096 18.032 13.440 1.00 13.79 O ATOM 0 H GLY A 59 8.628 17.732 15.092 1.00 17.22 H new ATOM 0 HA2 GLY A 59 8.331 20.480 14.894 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.411 20.102 13.567 1.00 15.08 H new ATOM 917 N LEU A 60 6.854 20.065 12.634 1.00 15.83 N ATOM 918 CA LEU A 60 5.697 19.656 11.788 1.00 14.53 C ATOM 919 C LEU A 60 6.219 18.826 10.619 1.00 14.15 C ATOM 920 O LEU A 60 7.275 19.101 10.085 1.00 13.27 O ATOM 921 CB LEU A 60 5.003 20.907 11.246 1.00 15.84 C ATOM 922 CG LEU A 60 3.497 20.790 11.459 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.808 22.052 10.934 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.969 19.567 10.705 1.00 15.01 C ATOM 0 H LEU A 60 7.114 21.049 12.562 1.00 15.83 H new ATOM 0 HA LEU A 60 4.989 19.072 12.377 1.00 14.53 H new ATOM 0 HB2 LEU A 60 5.384 21.794 11.752 1.00 15.84 H new ATOM 0 HB3 LEU A 60 5.222 21.026 10.185 1.00 15.84 H new ATOM 0 HG LEU A 60 3.287 20.679 12.523 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.732 21.969 11.086 1.00 19.57 H new ATOM 0 HD12 LEU A 60 3.184 22.922 11.472 1.00 19.57 H new ATOM 0 HD13 LEU A 60 3.017 22.165 9.870 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.893 19.483 10.857 1.00 15.01 H new ATOM 0 HD22 LEU A 60 3.178 19.677 9.641 1.00 15.01 H new ATOM 0 HD23 LEU A 60 3.460 18.669 11.080 1.00 15.01 H new ATOM 936 N TYR A 61 5.510 17.809 10.208 1.00 11.12 N ATOM 937 CA TYR A 61 6.018 16.996 9.077 1.00 9.57 C ATOM 938 C TYR A 61 4.981 16.858 7.981 1.00 11.76 C ATOM 939 O TYR A 61 3.802 17.089 8.167 1.00 11.26 O ATOM 940 CB TYR A 61 6.437 15.615 9.572 1.00 9.42 C ATOM 941 CG TYR A 61 7.865 15.721 10.031 1.00 10.29 C ATOM 942 CD1 TYR A 61 8.180 16.554 11.106 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.875 15.027 9.356 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.507 16.692 11.512 1.00 13.03 C ATOM 945 CE2 TYR A 61 10.202 15.169 9.758 1.00 13.99 C ATOM 946 CZ TYR A 61 10.516 16.000 10.835 1.00 11.06 C ATOM 947 OH TYR A 61 11.827 16.139 11.235 1.00 14.61 O ATOM 0 H TYR A 61 4.617 17.513 10.601 1.00 11.12 H new ATOM 0 HA TYR A 61 6.883 17.511 8.659 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.794 15.288 10.389 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.343 14.876 8.776 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.398 17.090 11.622 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.627 14.383 8.525 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.755 17.331 12.347 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.985 14.638 9.238 1.00 13.99 H new ATOM 0 HH TYR A 61 11.862 16.255 12.207 1.00 14.61 H new ATOM 957 N THR A 62 5.438 16.462 6.838 1.00 12.22 N ATOM 958 CA THR A 62 4.542 16.264 5.687 1.00 14.26 C ATOM 959 C THR A 62 5.131 15.142 4.857 1.00 15.40 C ATOM 960 O THR A 62 6.233 15.237 4.355 1.00 16.24 O ATOM 961 CB THR A 62 4.463 17.534 4.856 1.00 15.07 C ATOM 962 OG1 THR A 62 5.733 17.804 4.279 1.00 18.36 O ATOM 963 CG2 THR A 62 4.044 18.696 5.752 1.00 11.61 C ATOM 0 H THR A 62 6.421 16.263 6.651 1.00 12.22 H new ATOM 0 HA THR A 62 3.534 16.019 6.021 1.00 14.26 H new ATOM 0 HB THR A 62 3.729 17.407 4.060 1.00 15.07 H new ATOM 0 HG1 THR A 62 6.053 17.008 3.806 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.986 19.609 5.160 1.00 11.61 H new ATOM 0 HG22 THR A 62 3.068 18.485 6.190 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.778 18.825 6.547 1.00 11.61 H new ATOM 971 N VAL A 63 4.424 14.073 4.728 1.00 14.65 N ATOM 972 CA VAL A 63 4.969 12.937 3.951 1.00 15.17 C ATOM 973 C VAL A 63 5.526 13.457 2.631 1.00 14.24 C ATOM 974 O VAL A 63 5.321 14.596 2.261 1.00 19.13 O ATOM 975 CB VAL A 63 3.879 11.906 3.700 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.506 10.639 3.128 1.00 14.85 C ATOM 977 CG2 VAL A 63 3.180 11.574 5.025 1.00 18.64 C ATOM 0 H VAL A 63 3.495 13.931 5.123 1.00 14.65 H new ATOM 0 HA VAL A 63 5.770 12.457 4.514 1.00 15.17 H new ATOM 0 HB VAL A 63 3.152 12.306 2.993 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.728 9.898 2.947 1.00 14.85 H new ATOM 0 HG12 VAL A 63 5.009 10.874 2.190 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.230 10.239 3.838 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.398 10.835 4.849 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.908 11.171 5.729 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.737 12.480 5.439 1.00 18.64 H new ATOM 987 N HIS A 64 6.235 12.633 1.923 1.00 13.31 N ATOM 988 CA HIS A 64 6.818 13.072 0.626 1.00 10.78 C ATOM 989 C HIS A 64 6.551 11.992 -0.427 1.00 14.19 C ATOM 990 O HIS A 64 6.807 10.819 -0.205 1.00 11.59 O ATOM 991 CB HIS A 64 8.328 13.293 0.787 1.00 11.86 C ATOM 992 CG HIS A 64 8.783 14.358 -0.173 1.00 13.39 C ATOM 993 ND1 HIS A 64 9.267 14.055 -1.435 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.808 15.728 -0.081 1.00 17.63 C ATOM 995 CE1 HIS A 64 9.549 15.212 -2.053 1.00 19.32 C ATOM 996 NE2 HIS A 64 9.291 16.267 -1.273 1.00 20.65 N ATOM 0 H HIS A 64 6.439 11.669 2.185 1.00 13.31 H new ATOM 0 HA HIS A 64 6.360 14.009 0.310 1.00 10.78 H new ATOM 0 HB2 HIS A 64 8.556 13.589 1.811 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.865 12.364 0.597 1.00 11.86 H new ATOM 0 HD2 HIS A 64 8.501 16.300 0.782 1.00 17.63 H new ATOM 0 HE1 HIS A 64 9.937 15.283 -3.058 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.420 17.253 -1.501 1.00 20.65 H new ATOM 1004 N LEU A 65 6.025 12.375 -1.565 1.00 12.93 N ATOM 1005 CA LEU A 65 5.721 11.375 -2.632 1.00 14.44 C ATOM 1006 C LEU A 65 7.014 10.735 -3.127 1.00 12.66 C ATOM 1007 O LEU A 65 6.995 9.763 -3.855 1.00 10.20 O ATOM 1008 CB LEU A 65 5.035 12.061 -3.812 1.00 14.94 C ATOM 1009 CG LEU A 65 3.946 13.010 -3.314 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.022 14.326 -4.093 1.00 15.75 C ATOM 1011 CD2 LEU A 65 2.581 12.365 -3.536 1.00 19.03 C ATOM 0 H LEU A 65 5.793 13.340 -1.800 1.00 12.93 H new ATOM 0 HA LEU A 65 5.064 10.612 -2.214 1.00 14.44 H new ATOM 0 HB2 LEU A 65 5.770 12.615 -4.397 1.00 14.94 H new ATOM 0 HB3 LEU A 65 4.600 11.312 -4.474 1.00 14.94 H new ATOM 0 HG LEU A 65 4.089 13.210 -2.252 1.00 19.65 H new ATOM 0 HD11 LEU A 65 3.246 15.004 -3.739 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.000 14.783 -3.941 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.875 14.129 -5.155 1.00 15.75 H new ATOM 0 HD21 LEU A 65 1.799 13.037 -3.183 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.439 12.170 -4.599 1.00 19.03 H new ATOM 0 HD23 LEU A 65 2.528 11.426 -2.985 1.00 19.03 H new ATOM 1023 N SER A 66 8.135 11.267 -2.741 1.00 13.51 N ATOM 1024 CA SER A 66 9.425 10.678 -3.194 1.00 10.39 C ATOM 1025 C SER A 66 9.350 9.161 -3.035 1.00 8.56 C ATOM 1026 O SER A 66 10.027 8.416 -3.716 1.00 11.70 O ATOM 1027 CB SER A 66 10.572 11.224 -2.344 1.00 12.88 C ATOM 1028 OG SER A 66 11.593 10.239 -2.244 1.00 14.72 O ATOM 0 H SER A 66 8.217 12.082 -2.133 1.00 13.51 H new ATOM 0 HA SER A 66 9.604 10.938 -4.237 1.00 10.39 H new ATOM 0 HB2 SER A 66 10.971 12.134 -2.792 1.00 12.88 H new ATOM 0 HB3 SER A 66 10.209 11.491 -1.351 1.00 12.88 H new ATOM 0 HG SER A 66 12.471 10.670 -2.311 1.00 14.72 H new ATOM 1034 N SER A 67 8.531 8.701 -2.128 1.00 7.98 N ATOM 1035 CA SER A 67 8.405 7.235 -1.905 1.00 8.20 C ATOM 1036 C SER A 67 7.180 6.682 -2.647 1.00 11.02 C ATOM 1037 O SER A 67 7.010 5.486 -2.763 1.00 11.45 O ATOM 1038 CB SER A 67 8.246 6.970 -0.408 1.00 8.01 C ATOM 1039 OG SER A 67 9.226 7.713 0.305 1.00 11.22 O ATOM 0 H SER A 67 7.942 9.281 -1.530 1.00 7.98 H new ATOM 0 HA SER A 67 9.300 6.741 -2.284 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.246 7.255 -0.080 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.358 5.906 -0.201 1.00 8.01 H new ATOM 0 HG SER A 67 9.554 7.182 1.060 1.00 11.22 H new ATOM 1045 N PHE A 68 6.315 7.533 -3.136 1.00 10.09 N ATOM 1046 CA PHE A 68 5.103 7.030 -3.845 1.00 11.79 C ATOM 1047 C PHE A 68 5.466 6.642 -5.276 1.00 12.69 C ATOM 1048 O PHE A 68 6.406 7.153 -5.853 1.00 14.25 O ATOM 1049 CB PHE A 68 4.023 8.118 -3.869 1.00 10.08 C ATOM 1050 CG PHE A 68 3.753 8.621 -2.469 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.402 8.056 -1.358 1.00 10.16 C ATOM 1052 CD2 PHE A 68 2.864 9.684 -2.287 1.00 12.12 C ATOM 1053 CE1 PHE A 68 4.156 8.556 -0.077 1.00 9.89 C ATOM 1054 CE2 PHE A 68 2.622 10.185 -1.005 1.00 10.35 C ATOM 1055 CZ PHE A 68 3.269 9.620 0.099 1.00 11.87 C ATOM 0 H PHE A 68 6.395 8.548 -3.075 1.00 10.09 H new ATOM 0 HA PHE A 68 4.721 6.156 -3.318 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.343 8.944 -4.504 1.00 10.08 H new ATOM 0 HB3 PHE A 68 3.106 7.720 -4.303 1.00 10.08 H new ATOM 0 HD1 PHE A 68 5.091 7.235 -1.494 1.00 10.16 H new ATOM 0 HD2 PHE A 68 2.363 10.119 -3.139 1.00 12.12 H new ATOM 0 HE1 PHE A 68 4.652 8.120 0.777 1.00 9.89 H new ATOM 0 HE2 PHE A 68 1.936 11.008 -0.867 1.00 10.35 H new ATOM 0 HZ PHE A 68 3.082 10.008 1.090 1.00 11.87 H new ATOM 1065 N LYS A 69 4.725 5.739 -5.850 1.00 12.51 N ATOM 1066 CA LYS A 69 5.016 5.308 -7.244 1.00 15.38 C ATOM 1067 C LYS A 69 3.751 4.716 -7.862 1.00 15.02 C ATOM 1068 O LYS A 69 2.762 4.497 -7.188 1.00 15.36 O ATOM 1069 CB LYS A 69 6.118 4.246 -7.235 1.00 16.04 C ATOM 1070 CG LYS A 69 7.357 4.798 -6.528 1.00 20.35 C ATOM 1071 CD LYS A 69 8.491 3.774 -6.617 1.00 21.35 C ATOM 1072 CE LYS A 69 9.584 4.134 -5.610 1.00 30.24 C ATOM 1073 NZ LYS A 69 10.860 3.472 -6.004 1.00 32.70 N ATOM 0 H LYS A 69 3.927 5.279 -5.412 1.00 12.51 H new ATOM 0 HA LYS A 69 5.346 6.167 -7.828 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.767 3.348 -6.727 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.368 3.958 -8.256 1.00 16.04 H new ATOM 0 HG2 LYS A 69 7.664 5.737 -6.988 1.00 20.35 H new ATOM 0 HG3 LYS A 69 7.128 5.014 -5.484 1.00 20.35 H new ATOM 0 HD2 LYS A 69 8.109 2.774 -6.413 1.00 21.35 H new ATOM 0 HD3 LYS A 69 8.903 3.758 -7.626 1.00 21.35 H new ATOM 0 HE2 LYS A 69 9.719 5.215 -5.574 1.00 30.24 H new ATOM 0 HE3 LYS A 69 9.291 3.816 -4.610 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 11.604 3.717 -5.319 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 10.727 2.441 -6.017 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 11.141 3.796 -6.951 1.00 32.70 H new ATOM 1087 N VAL A 70 3.773 4.450 -9.137 1.00 13.65 N ATOM 1088 CA VAL A 70 2.572 3.867 -9.794 1.00 13.49 C ATOM 1089 C VAL A 70 2.785 2.365 -9.985 1.00 11.85 C ATOM 1090 O VAL A 70 3.466 1.934 -10.894 1.00 12.13 O ATOM 1091 CB VAL A 70 2.339 4.520 -11.159 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.881 4.964 -11.259 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.256 5.736 -11.338 1.00 15.63 C ATOM 0 H VAL A 70 4.570 4.611 -9.752 1.00 13.65 H new ATOM 0 HA VAL A 70 1.701 4.047 -9.164 1.00 13.49 H new ATOM 0 HB VAL A 70 2.564 3.795 -11.941 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.708 5.430 -12.229 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.229 4.097 -11.151 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.664 5.682 -10.468 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.076 6.187 -12.314 1.00 15.63 H new ATOM 0 HG22 VAL A 70 3.048 6.467 -10.557 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.297 5.420 -11.271 1.00 15.63 H new ATOM 1103 N GLY A 71 2.210 1.565 -9.131 1.00 11.15 N ATOM 1104 CA GLY A 71 2.380 0.089 -9.260 1.00 11.07 C ATOM 1105 C GLY A 71 1.716 -0.391 -10.551 1.00 12.15 C ATOM 1106 O GLY A 71 1.219 0.396 -11.333 1.00 12.70 O ATOM 0 H GLY A 71 1.630 1.868 -8.349 1.00 11.15 H new ATOM 0 HA2 GLY A 71 3.440 -0.166 -9.267 1.00 11.07 H new ATOM 0 HA3 GLY A 71 1.936 -0.415 -8.401 1.00 11.07 H new ATOM 1110 N GLN A 72 1.700 -1.676 -10.784 1.00 15.78 N ATOM 1111 CA GLN A 72 1.066 -2.197 -12.026 1.00 19.42 C ATOM 1112 C GLN A 72 -0.406 -2.500 -11.753 1.00 16.97 C ATOM 1113 O GLN A 72 -1.007 -3.348 -12.382 1.00 20.46 O ATOM 1114 CB GLN A 72 1.773 -3.478 -12.483 1.00 22.64 C ATOM 1115 CG GLN A 72 3.207 -3.505 -11.945 1.00 25.29 C ATOM 1116 CD GLN A 72 3.254 -4.332 -10.658 1.00 26.29 C ATOM 1117 OE1 GLN A 72 4.293 -4.840 -10.285 1.00 26.22 O ATOM 1118 NE2 GLN A 72 2.164 -4.489 -9.958 1.00 25.15 N ATOM 0 H GLN A 72 2.098 -2.385 -10.168 1.00 15.78 H new ATOM 0 HA GLN A 72 1.150 -1.446 -12.811 1.00 19.42 H new ATOM 0 HB2 GLN A 72 1.226 -4.352 -12.128 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.783 -3.529 -13.572 1.00 22.64 H new ATOM 0 HG2 GLN A 72 3.878 -3.933 -12.690 1.00 25.29 H new ATOM 0 HG3 GLN A 72 3.553 -2.490 -11.750 1.00 25.29 H new ATOM 0 HE21 GLN A 72 1.291 -4.063 -10.270 1.00 25.15 H new ATOM 0 HE22 GLN A 72 2.185 -5.038 -9.098 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.989 -1.809 -10.816 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.422 -2.046 -10.491 1.00 14.60 C ATOM 1129 C PHE A 73 -3.260 -0.856 -10.964 1.00 15.63 C ATOM 1130 O PHE A 73 -4.449 -0.788 -10.723 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.577 -2.205 -8.979 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.384 -3.442 -8.686 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.735 -3.499 -9.049 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -2.785 -4.535 -8.048 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -5.486 -4.648 -8.776 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -3.535 -5.684 -7.774 1.00 18.68 C ATOM 1137 CZ PHE A 73 -4.886 -5.741 -8.138 1.00 17.88 C ATOM 0 H PHE A 73 -0.533 -1.087 -10.258 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.763 -2.951 -10.993 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -1.597 -2.277 -8.507 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.070 -1.328 -8.559 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.198 -2.656 -9.540 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -1.743 -4.491 -7.767 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -6.528 -4.692 -9.057 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -3.072 -6.527 -7.282 1.00 18.68 H new ATOM 0 HZ PHE A 73 -5.465 -6.628 -7.927 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.651 0.083 -11.634 1.00 13.82 N ATOM 1148 CA GLY A 74 -3.414 1.267 -12.118 1.00 13.44 C ATOM 1149 C GLY A 74 -3.864 2.107 -10.922 1.00 10.42 C ATOM 1150 O GLY A 74 -5.016 2.476 -10.811 1.00 13.62 O ATOM 0 H GLY A 74 -1.658 0.081 -11.867 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.793 1.866 -12.784 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -4.280 0.944 -12.695 1.00 13.44 H new ATOM 1154 N SER A 75 -2.964 2.414 -10.026 1.00 12.64 N ATOM 1155 CA SER A 75 -3.342 3.230 -8.838 1.00 12.47 C ATOM 1156 C SER A 75 -2.081 3.656 -8.082 1.00 12.47 C ATOM 1157 O SER A 75 -1.088 2.955 -8.065 1.00 11.32 O ATOM 1158 CB SER A 75 -4.232 2.400 -7.912 1.00 11.21 C ATOM 1159 OG SER A 75 -5.038 1.526 -8.690 1.00 18.27 O ATOM 0 H SER A 75 -1.984 2.135 -10.066 1.00 12.64 H new ATOM 0 HA SER A 75 -3.883 4.117 -9.168 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.618 1.825 -7.218 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.862 3.056 -7.312 1.00 11.21 H new ATOM 0 HG SER A 75 -5.526 2.044 -9.364 1.00 18.27 H new ATOM 1165 N LEU A 76 -2.114 4.799 -7.452 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.920 5.269 -6.692 1.00 12.18 C ATOM 1167 C LEU A 76 -0.602 4.267 -5.581 1.00 12.07 C ATOM 1168 O LEU A 76 -1.448 3.497 -5.170 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.217 6.637 -6.076 1.00 11.99 C ATOM 1170 CG LEU A 76 0.097 7.344 -5.742 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -0.114 8.859 -5.788 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.552 6.933 -4.339 1.00 7.80 C ATOM 0 H LEU A 76 -2.917 5.428 -7.431 1.00 12.43 H new ATOM 0 HA LEU A 76 -0.066 5.351 -7.364 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.801 7.241 -6.771 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.818 6.519 -5.174 1.00 11.99 H new ATOM 0 HG LEU A 76 0.859 7.062 -6.469 1.00 8.87 H new ATOM 0 HD11 LEU A 76 0.822 9.364 -5.550 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -0.440 9.151 -6.786 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.874 9.143 -5.060 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.489 7.436 -4.098 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.209 7.217 -3.612 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.701 5.854 -4.306 1.00 7.80 H new ATOM 1184 N MET A 77 0.607 4.267 -5.087 1.00 14.08 N ATOM 1185 CA MET A 77 0.960 3.308 -4.003 1.00 14.12 C ATOM 1186 C MET A 77 2.254 3.746 -3.319 1.00 11.37 C ATOM 1187 O MET A 77 3.322 3.693 -3.895 1.00 11.44 O ATOM 1188 CB MET A 77 1.160 1.915 -4.598 1.00 16.48 C ATOM 1189 CG MET A 77 -0.201 1.258 -4.829 1.00 24.75 C ATOM 1190 SD MET A 77 -0.090 -0.509 -4.454 1.00 35.11 S ATOM 1191 CE MET A 77 -0.721 -1.117 -6.037 1.00 33.86 C ATOM 0 H MET A 77 1.361 4.886 -5.386 1.00 14.08 H new ATOM 0 HA MET A 77 0.151 3.288 -3.272 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.706 1.985 -5.539 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.761 1.304 -3.925 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.955 1.728 -4.198 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.516 1.402 -5.863 1.00 24.75 H new ATOM 0 HE1 MET A 77 -0.739 -2.207 -6.027 1.00 33.86 H new ATOM 0 HE2 MET A 77 -1.731 -0.739 -6.196 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.074 -0.772 -6.843 1.00 33.86 H new ATOM 1201 N ILE A 78 2.167 4.169 -2.091 1.00 11.78 N ATOM 1202 CA ILE A 78 3.393 4.600 -1.366 1.00 11.62 C ATOM 1203 C ILE A 78 4.450 3.495 -1.440 1.00 11.45 C ATOM 1204 O ILE A 78 4.147 2.319 -1.407 1.00 12.59 O ATOM 1205 CB ILE A 78 3.060 4.859 0.104 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.238 6.142 0.238 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.354 4.993 0.913 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.981 5.858 1.065 1.00 13.67 C ATOM 0 H ILE A 78 1.300 4.235 -1.557 1.00 11.78 H new ATOM 0 HA ILE A 78 3.773 5.512 -1.827 1.00 11.62 H new ATOM 0 HB ILE A 78 2.478 4.020 0.487 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.833 6.920 0.716 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.961 6.514 -0.748 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.111 5.177 1.960 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.931 4.072 0.831 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.941 5.825 0.525 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.395 6.772 1.161 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.383 5.094 0.568 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.269 5.506 2.056 1.00 13.67 H new ATOM 1220 N ASP A 79 5.689 3.878 -1.504 1.00 10.05 N ATOM 1221 CA ASP A 79 6.799 2.887 -1.540 1.00 14.79 C ATOM 1222 C ASP A 79 7.753 3.253 -0.410 1.00 15.20 C ATOM 1223 O ASP A 79 8.930 3.472 -0.613 1.00 18.10 O ATOM 1224 CB ASP A 79 7.530 2.971 -2.878 1.00 12.21 C ATOM 1225 CG ASP A 79 7.746 1.563 -3.434 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.770 0.976 -3.126 1.00 24.06 O ATOM 1227 OD2 ASP A 79 6.884 1.095 -4.160 1.00 21.87 O ATOM 0 H ASP A 79 5.987 4.853 -1.534 1.00 10.05 H new ATOM 0 HA ASP A 79 6.420 1.872 -1.423 1.00 14.79 H new ATOM 0 HB2 ASP A 79 6.951 3.567 -3.584 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.489 3.473 -2.749 1.00 12.21 H new ATOM 1232 N ARG A 80 7.212 3.365 0.770 1.00 17.08 N ATOM 1233 CA ARG A 80 8.009 3.769 1.963 1.00 17.14 C ATOM 1234 C ARG A 80 7.956 5.289 2.050 1.00 14.98 C ATOM 1235 O ARG A 80 8.932 5.982 1.844 1.00 16.47 O ATOM 1236 CB ARG A 80 9.459 3.289 1.845 1.00 17.78 C ATOM 1237 CG ARG A 80 10.028 3.034 3.243 1.00 22.76 C ATOM 1238 CD ARG A 80 10.589 4.338 3.813 1.00 28.43 C ATOM 1239 NE ARG A 80 12.001 4.507 3.368 1.00 33.10 N ATOM 1240 CZ ARG A 80 12.588 5.669 3.476 1.00 30.84 C ATOM 1241 NH1 ARG A 80 11.941 6.688 3.975 1.00 33.12 N ATOM 1242 NH2 ARG A 80 13.824 5.812 3.083 1.00 35.04 N ATOM 0 H ARG A 80 6.226 3.189 0.963 1.00 17.08 H new ATOM 0 HA ARG A 80 7.595 3.315 2.863 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.504 2.376 1.251 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.060 4.037 1.327 1.00 17.78 H new ATOM 0 HG2 ARG A 80 9.249 2.644 3.898 1.00 22.76 H new ATOM 0 HG3 ARG A 80 10.812 2.279 3.195 1.00 22.76 H new ATOM 0 HD2 ARG A 80 9.987 5.183 3.478 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.539 4.323 4.902 1.00 28.43 H new ATOM 0 HE ARG A 80 12.510 3.714 2.978 1.00 33.10 H new ATOM 0 HH11 ARG A 80 10.974 6.578 4.282 1.00 33.12 H new ATOM 0 HH12 ARG A 80 12.402 7.594 4.058 1.00 33.12 H new ATOM 0 HH21 ARG A 80 14.330 5.017 2.692 1.00 35.04 H new ATOM 0 HH22 ARG A 80 14.284 6.719 3.166 1.00 35.04 H new ATOM 1256 N LEU A 81 6.789 5.791 2.331 1.00 11.03 N ATOM 1257 CA LEU A 81 6.563 7.256 2.420 1.00 11.27 C ATOM 1258 C LEU A 81 7.802 7.989 2.945 1.00 15.61 C ATOM 1259 O LEU A 81 8.303 7.704 4.014 1.00 18.56 O ATOM 1260 CB LEU A 81 5.350 7.509 3.320 1.00 13.62 C ATOM 1261 CG LEU A 81 5.787 7.790 4.754 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.557 8.153 5.590 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.445 6.532 5.332 1.00 18.72 C ATOM 0 H LEU A 81 5.957 5.228 2.508 1.00 11.03 H new ATOM 0 HA LEU A 81 6.370 7.649 1.422 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.778 8.354 2.937 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.690 6.642 3.300 1.00 13.62 H new ATOM 0 HG LEU A 81 6.498 8.616 4.772 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.862 8.355 6.617 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.081 9.040 5.171 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.851 7.323 5.578 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.760 6.725 6.357 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.730 5.709 5.321 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.313 6.266 4.729 1.00 18.72 H new ATOM 1275 N ARG A 82 8.276 8.956 2.207 1.00 13.37 N ATOM 1276 CA ARG A 82 9.454 9.735 2.670 1.00 12.72 C ATOM 1277 C ARG A 82 8.931 10.927 3.467 1.00 13.33 C ATOM 1278 O ARG A 82 8.414 11.875 2.917 1.00 13.27 O ATOM 1279 CB ARG A 82 10.259 10.226 1.464 1.00 13.85 C ATOM 1280 CG ARG A 82 11.581 9.458 1.387 1.00 16.22 C ATOM 1281 CD ARG A 82 12.739 10.446 1.250 1.00 16.62 C ATOM 1282 NE ARG A 82 13.540 10.111 0.030 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.946 8.888 -0.201 1.00 17.96 C ATOM 1284 NH1 ARG A 82 13.829 7.961 0.713 1.00 20.55 N ATOM 1285 NH2 ARG A 82 14.525 8.605 -1.336 1.00 16.89 N ATOM 0 H ARG A 82 7.896 9.238 1.303 1.00 13.37 H new ATOM 0 HA ARG A 82 10.106 9.117 3.287 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.687 10.080 0.548 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.452 11.295 1.553 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.713 8.849 2.282 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.568 8.776 0.537 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.356 11.464 1.178 1.00 16.62 H new ATOM 0 HD3 ARG A 82 13.372 10.406 2.136 1.00 16.62 H new ATOM 0 HE ARG A 82 13.774 10.850 -0.634 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.417 8.187 1.619 1.00 20.55 H new ATOM 0 HH12 ARG A 82 14.149 7.012 0.521 1.00 20.55 H new ATOM 0 HH21 ARG A 82 14.659 9.335 -2.036 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.844 7.654 -1.523 1.00 16.89 H new ATOM 1299 N LEU A 83 9.020 10.870 4.762 1.00 13.53 N ATOM 1300 CA LEU A 83 8.485 11.986 5.592 1.00 13.86 C ATOM 1301 C LEU A 83 9.460 13.161 5.633 1.00 13.02 C ATOM 1302 O LEU A 83 10.664 12.998 5.621 1.00 14.40 O ATOM 1303 CB LEU A 83 8.241 11.490 7.012 1.00 9.93 C ATOM 1304 CG LEU A 83 6.822 11.832 7.459 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.727 11.654 8.977 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.501 13.285 7.097 1.00 10.58 C ATOM 0 H LEU A 83 9.439 10.101 5.285 1.00 13.53 H new ATOM 0 HA LEU A 83 7.551 12.326 5.144 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.394 10.412 7.059 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.962 11.944 7.691 1.00 9.93 H new ATOM 0 HG LEU A 83 6.111 11.174 6.959 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.717 11.895 9.309 1.00 8.88 H new ATOM 0 HD12 LEU A 83 6.957 10.621 9.237 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.439 12.319 9.467 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.487 13.524 7.418 1.00 10.58 H new ATOM 0 HD22 LEU A 83 7.206 13.949 7.597 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.581 13.417 6.018 1.00 10.58 H new ATOM 1318 N VAL A 84 8.926 14.349 5.688 1.00 11.81 N ATOM 1319 CA VAL A 84 9.763 15.567 5.739 1.00 12.86 C ATOM 1320 C VAL A 84 9.031 16.608 6.593 1.00 14.98 C ATOM 1321 O VAL A 84 7.831 16.535 6.741 1.00 13.59 O ATOM 1322 CB VAL A 84 9.929 16.096 4.316 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.693 15.073 3.474 1.00 17.65 C ATOM 1324 CG2 VAL A 84 8.548 16.337 3.700 1.00 17.34 C ATOM 0 H VAL A 84 7.921 14.524 5.700 1.00 11.81 H new ATOM 0 HA VAL A 84 10.743 15.355 6.168 1.00 12.86 H new ATOM 0 HB VAL A 84 10.487 17.032 4.339 1.00 14.61 H new ATOM 0 HG11 VAL A 84 10.810 15.452 2.459 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.676 14.901 3.913 1.00 17.65 H new ATOM 0 HG13 VAL A 84 10.138 14.135 3.449 1.00 17.65 H new ATOM 0 HG21 VAL A 84 8.664 16.715 2.684 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.991 15.400 3.678 1.00 17.34 H new ATOM 0 HG23 VAL A 84 8.005 17.068 4.299 1.00 17.34 H new ATOM 1334 N PRO A 85 9.760 17.559 7.111 1.00 18.65 N ATOM 1335 CA PRO A 85 9.176 18.634 7.930 1.00 22.41 C ATOM 1336 C PRO A 85 8.218 19.485 7.081 1.00 25.70 C ATOM 1337 O PRO A 85 8.469 19.747 5.922 1.00 22.08 O ATOM 1338 CB PRO A 85 10.390 19.423 8.421 1.00 21.19 C ATOM 1339 CG PRO A 85 11.535 19.071 7.458 1.00 18.95 C ATOM 1340 CD PRO A 85 11.213 17.666 6.923 1.00 20.63 C ATOM 0 HA PRO A 85 8.574 18.274 8.765 1.00 22.41 H new ATOM 0 HB2 PRO A 85 10.189 20.494 8.415 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.644 19.152 9.446 1.00 21.19 H new ATOM 0 HG2 PRO A 85 11.599 19.794 6.645 1.00 18.95 H new ATOM 0 HG3 PRO A 85 12.496 19.083 7.972 1.00 18.95 H new ATOM 0 HD2 PRO A 85 11.492 17.561 5.875 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.748 16.893 7.474 1.00 20.63 H new ATOM 1348 N ALA A 86 7.112 19.901 7.645 1.00 31.74 N ATOM 1349 CA ALA A 86 6.128 20.712 6.868 1.00 39.94 C ATOM 1350 C ALA A 86 6.720 22.091 6.578 1.00 46.96 C ATOM 1351 O ALA A 86 6.855 22.918 7.458 1.00 49.29 O ATOM 1352 CB ALA A 86 4.843 20.869 7.684 1.00 39.70 C ATOM 0 H ALA A 86 6.848 19.713 8.612 1.00 31.74 H new ATOM 0 HA ALA A 86 5.903 20.209 5.927 1.00 39.94 H new ATOM 0 HB1 ALA A 86 4.123 21.461 7.119 1.00 39.70 H new ATOM 0 HB2 ALA A 86 4.421 19.886 7.891 1.00 39.70 H new ATOM 0 HB3 ALA A 86 5.068 21.373 8.624 1.00 39.70 H new ATOM 1358 N LYS A 87 7.076 22.346 5.350 1.00 51.78 N ATOM 1359 CA LYS A 87 7.660 23.672 5.003 1.00 55.12 C ATOM 1360 C LYS A 87 7.592 23.877 3.488 1.00 55.82 C ATOM 1361 O LYS A 87 8.383 24.654 2.980 1.00 58.05 O ATOM 1362 CB LYS A 87 9.120 23.720 5.459 1.00 52.96 C ATOM 1363 CG LYS A 87 9.823 22.420 5.065 1.00 55.49 C ATOM 1364 CD LYS A 87 10.791 22.693 3.912 1.00 56.64 C ATOM 1365 CE LYS A 87 10.730 21.541 2.909 1.00 58.91 C ATOM 1366 NZ LYS A 87 10.000 21.983 1.687 1.00 58.16 N ATOM 1367 OXT LYS A 87 6.750 23.254 2.863 1.00 57.66 O ATOM 0 H LYS A 87 6.988 21.693 4.571 1.00 51.78 H new ATOM 0 HA LYS A 87 7.097 24.460 5.502 1.00 55.12 H new ATOM 0 HB2 LYS A 87 9.626 24.571 5.004 1.00 52.96 H new ATOM 0 HB3 LYS A 87 9.170 23.860 6.539 1.00 52.96 H new ATOM 0 HG2 LYS A 87 10.364 22.013 5.919 1.00 55.49 H new ATOM 0 HG3 LYS A 87 9.088 21.672 4.768 1.00 55.49 H new ATOM 0 HD2 LYS A 87 10.532 23.631 3.420 1.00 56.64 H new ATOM 0 HD3 LYS A 87 11.806 22.803 4.294 1.00 56.64 H new ATOM 0 HE2 LYS A 87 11.738 21.219 2.647 1.00 58.91 H new ATOM 0 HE3 LYS A 87 10.227 20.683 3.355 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 10.017 21.222 0.978 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 9.014 22.205 1.933 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 10.459 22.831 1.296 1.00 58.16 H new ATOM 1382 N MET B 1 1.857 17.741 -2.743 1.00 42.32 N ATOM 1383 CA MET B 1 0.490 17.300 -2.345 1.00 40.89 C ATOM 1384 C MET B 1 -0.012 16.248 -3.337 1.00 34.75 C ATOM 1385 O MET B 1 -1.199 16.105 -3.553 1.00 33.97 O ATOM 1386 CB MET B 1 -0.459 18.515 -2.341 1.00 48.45 C ATOM 1387 CG MET B 1 -1.153 18.662 -3.704 1.00 56.13 C ATOM 1388 SD MET B 1 -1.500 20.410 -4.022 1.00 64.91 S ATOM 1389 CE MET B 1 -0.083 20.733 -5.100 1.00 63.43 C ATOM 0 H1 MET B 1 2.126 18.580 -2.190 1.00 42.32 H new ATOM 0 H2 MET B 1 2.536 16.974 -2.561 1.00 42.32 H new ATOM 0 H3 MET B 1 1.865 17.977 -3.756 1.00 42.32 H new ATOM 0 HA MET B 1 0.519 16.866 -1.346 1.00 40.89 H new ATOM 0 HB2 MET B 1 -1.207 18.397 -1.557 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.102 19.421 -2.113 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.518 18.257 -4.492 1.00 56.13 H new ATOM 0 HG3 MET B 1 -2.080 18.089 -3.715 1.00 56.13 H new ATOM 0 HE1 MET B 1 0.440 21.626 -4.756 1.00 63.43 H new ATOM 0 HE2 MET B 1 0.597 19.881 -5.073 1.00 63.43 H new ATOM 0 HE3 MET B 1 -0.431 20.887 -6.122 1.00 63.43 H new ATOM 1401 N ILE B 2 0.872 15.521 -3.956 1.00 28.59 N ATOM 1402 CA ILE B 2 0.415 14.504 -4.942 1.00 24.58 C ATOM 1403 C ILE B 2 -0.435 15.213 -5.989 1.00 19.29 C ATOM 1404 O ILE B 2 -1.634 15.327 -5.852 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.430 13.427 -4.253 1.00 25.10 C ATOM 1406 CG1 ILE B 2 -0.264 13.512 -2.728 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.019 12.050 -4.749 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.770 12.226 -2.081 1.00 33.80 C ATOM 0 H ILE B 2 1.882 15.584 -3.825 1.00 28.59 H new ATOM 0 HA ILE B 2 1.280 14.023 -5.400 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.481 13.583 -4.495 1.00 25.10 H new ATOM 0 HG12 ILE B 2 0.785 13.669 -2.475 1.00 28.92 H new ATOM 0 HG13 ILE B 2 -0.817 14.367 -2.340 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.577 11.277 -4.264 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.118 11.990 -5.829 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.072 11.902 -4.508 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.650 12.291 -1.000 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.824 12.088 -2.322 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.198 11.379 -2.459 1.00 33.80 H new ATOM 1420 N LYS B 3 0.177 15.711 -7.022 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.602 16.438 -8.061 1.00 16.66 C ATOM 1422 C LYS B 3 -1.019 15.485 -9.179 1.00 14.94 C ATOM 1423 O LYS B 3 -0.535 14.376 -9.287 1.00 13.94 O ATOM 1424 CB LYS B 3 0.256 17.562 -8.648 1.00 16.94 C ATOM 1425 CG LYS B 3 0.226 18.772 -7.712 1.00 17.85 C ATOM 1426 CD LYS B 3 1.171 19.852 -8.242 1.00 19.63 C ATOM 1427 CE LYS B 3 0.359 21.069 -8.689 1.00 26.28 C ATOM 1428 NZ LYS B 3 0.597 21.320 -10.139 1.00 32.72 N ATOM 0 H LYS B 3 1.180 15.647 -7.194 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.497 16.856 -7.600 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.282 17.218 -8.782 1.00 16.94 H new ATOM 0 HB3 LYS B 3 -0.118 17.842 -9.633 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.788 19.165 -7.641 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.524 18.475 -6.707 1.00 17.85 H new ATOM 0 HD2 LYS B 3 1.881 20.141 -7.467 1.00 19.63 H new ATOM 0 HD3 LYS B 3 1.752 19.463 -9.078 1.00 19.63 H new ATOM 0 HE2 LYS B 3 -0.702 20.898 -8.508 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.645 21.944 -8.106 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 0.276 22.279 -10.383 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.613 21.232 -10.344 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 0.068 20.625 -10.703 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.917 15.924 -10.015 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.383 15.073 -11.141 1.00 12.99 C ATOM 1444 C VAL B 4 -3.290 15.905 -12.051 1.00 14.26 C ATOM 1445 O VAL B 4 -3.752 16.969 -11.691 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.154 13.856 -10.592 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.877 14.251 -9.309 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -4.180 13.358 -11.622 1.00 10.41 C ATOM 0 H VAL B 4 -2.352 16.845 -9.965 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.527 14.714 -11.712 1.00 12.99 H new ATOM 0 HB VAL B 4 -2.444 13.055 -10.387 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.423 13.392 -8.920 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -3.149 14.584 -8.569 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -4.577 15.060 -9.520 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.714 12.499 -11.217 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.890 14.155 -11.844 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.665 13.066 -12.537 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.545 15.413 -13.226 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.420 16.144 -14.180 1.00 10.51 C ATOM 1460 C GLU B 5 -5.286 15.140 -14.921 1.00 10.00 C ATOM 1461 O GLU B 5 -4.815 14.366 -15.728 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.558 16.914 -15.178 1.00 10.42 C ATOM 1463 CG GLU B 5 -3.153 18.249 -14.561 1.00 18.68 C ATOM 1464 CD GLU B 5 -2.295 19.037 -15.553 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -2.590 18.980 -16.735 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.360 19.684 -15.113 1.00 19.38 O ATOM 0 H GLU B 5 -3.181 14.525 -13.571 1.00 9.27 H new ATOM 0 HA GLU B 5 -5.052 16.847 -13.638 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.672 16.334 -15.435 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -4.110 17.079 -16.103 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -4.041 18.823 -14.298 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.597 18.081 -13.639 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.552 15.142 -14.651 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.443 14.180 -15.352 1.00 10.60 C ATOM 1475 C ILE B 6 -7.592 14.633 -16.813 1.00 10.16 C ATOM 1476 O ILE B 6 -8.335 15.543 -17.122 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.802 14.108 -14.624 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.751 12.971 -13.600 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.932 13.827 -15.608 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.639 13.550 -12.192 1.00 13.81 C ATOM 0 H ILE B 6 -7.010 15.761 -13.982 1.00 9.86 H new ATOM 0 HA ILE B 6 -7.019 13.176 -15.344 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.990 15.065 -14.137 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.647 12.356 -13.680 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.900 12.322 -13.805 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.879 13.781 -15.071 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.974 14.624 -16.351 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.751 12.875 -16.107 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.603 12.738 -11.466 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.730 14.146 -12.115 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.504 14.181 -11.988 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.872 14.000 -17.711 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.942 14.377 -19.148 1.00 11.59 C ATOM 1494 C LYS B 7 -8.396 14.648 -19.534 1.00 12.98 C ATOM 1495 O LYS B 7 -9.302 14.258 -18.826 1.00 9.79 O ATOM 1496 CB LYS B 7 -6.384 13.212 -19.974 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.973 12.877 -19.497 1.00 14.26 C ATOM 1498 CD LYS B 7 -4.137 14.157 -19.429 1.00 15.70 C ATOM 1499 CE LYS B 7 -4.014 14.762 -20.829 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.379 16.206 -20.780 1.00 25.43 N ATOM 0 H LYS B 7 -6.235 13.232 -17.501 1.00 11.63 H new ATOM 0 HA LYS B 7 -6.359 15.279 -19.337 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -7.030 12.340 -19.874 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.368 13.477 -21.031 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -5.013 12.404 -18.516 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.508 12.163 -20.177 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.603 14.873 -18.752 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -3.148 13.937 -19.028 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.995 14.646 -21.199 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -4.667 14.234 -21.524 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -5.006 16.433 -21.578 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.869 16.410 -19.886 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.517 16.784 -20.842 1.00 25.43 H new ATOM 1514 N PRO B 8 -8.581 15.302 -20.653 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.924 15.624 -21.153 1.00 11.93 C ATOM 1516 C PRO B 8 -10.584 14.351 -21.674 1.00 10.20 C ATOM 1517 O PRO B 8 -11.780 14.293 -21.881 1.00 12.05 O ATOM 1518 CB PRO B 8 -9.669 16.643 -22.267 1.00 12.78 C ATOM 1519 CG PRO B 8 -8.202 16.443 -22.709 1.00 12.51 C ATOM 1520 CD PRO B 8 -7.481 15.767 -21.527 1.00 13.61 C ATOM 0 HA PRO B 8 -10.597 16.027 -20.396 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -10.352 16.485 -23.102 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.832 17.660 -21.909 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -8.147 15.823 -23.604 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -7.736 17.398 -22.954 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.859 14.937 -21.861 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.826 16.466 -21.007 1.00 13.61 H new ATOM 1528 N SER B 9 -9.809 13.319 -21.857 1.00 10.65 N ATOM 1529 CA SER B 9 -10.382 12.033 -22.331 1.00 10.83 C ATOM 1530 C SER B 9 -10.639 11.133 -21.117 1.00 10.94 C ATOM 1531 O SER B 9 -11.021 9.988 -21.250 1.00 13.16 O ATOM 1532 CB SER B 9 -9.395 11.348 -23.278 1.00 13.01 C ATOM 1533 OG SER B 9 -8.969 12.278 -24.264 1.00 15.52 O ATOM 0 H SER B 9 -8.802 13.313 -21.698 1.00 10.65 H new ATOM 0 HA SER B 9 -11.316 12.216 -22.863 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.537 10.974 -22.719 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.866 10.487 -23.753 1.00 13.01 H new ATOM 0 HG SER B 9 -8.335 11.843 -24.872 1.00 15.52 H new ATOM 1539 N GLN B 10 -10.431 11.648 -19.931 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.660 10.830 -18.709 1.00 11.55 C ATOM 1541 C GLN B 10 -11.617 11.571 -17.773 1.00 13.72 C ATOM 1542 O GLN B 10 -11.488 11.505 -16.569 1.00 17.31 O ATOM 1543 CB GLN B 10 -9.334 10.606 -17.981 1.00 6.60 C ATOM 1544 CG GLN B 10 -8.228 10.339 -18.998 1.00 7.20 C ATOM 1545 CD GLN B 10 -8.277 8.874 -19.435 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -9.315 8.246 -19.380 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.189 8.299 -19.870 1.00 4.80 N ATOM 0 H GLN B 10 -10.112 12.602 -19.760 1.00 10.02 H new ATOM 0 HA GLN B 10 -11.088 9.870 -18.998 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -9.085 11.481 -17.380 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -9.422 9.763 -17.295 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -8.350 10.991 -19.863 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -7.256 10.567 -18.561 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.317 8.826 -19.916 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.211 7.322 -20.164 1.00 4.80 H new ATOM 1556 N ALA B 11 -12.568 12.286 -18.312 1.00 15.28 N ATOM 1557 CA ALA B 11 -13.516 13.036 -17.438 1.00 18.95 C ATOM 1558 C ALA B 11 -14.778 12.206 -17.201 1.00 20.75 C ATOM 1559 O ALA B 11 -15.748 12.679 -16.643 1.00 24.78 O ATOM 1560 CB ALA B 11 -13.892 14.357 -18.108 1.00 17.72 C ATOM 0 H ALA B 11 -12.729 12.383 -19.315 1.00 15.28 H new ATOM 0 HA ALA B 11 -13.036 13.236 -16.480 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -14.585 14.905 -17.469 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.994 14.954 -18.265 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -14.366 14.156 -19.069 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.773 10.974 -17.618 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.971 10.115 -17.413 1.00 25.43 C ATOM 1568 C GLN B 12 -15.542 8.768 -16.836 1.00 22.80 C ATOM 1569 O GLN B 12 -14.497 8.244 -17.168 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.675 9.895 -18.751 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.643 11.047 -18.999 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.277 10.897 -20.383 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -18.848 9.870 -20.694 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -18.202 11.884 -21.233 1.00 47.90 N ATOM 0 H GLN B 12 -13.991 10.523 -18.093 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.654 10.605 -16.719 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -15.943 9.839 -19.557 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -17.213 8.947 -18.742 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -18.418 11.056 -18.232 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.116 11.999 -18.931 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -17.723 12.746 -20.973 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.622 11.794 -22.158 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.339 8.202 -15.974 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.974 6.892 -15.379 1.00 20.51 C ATOM 1585 C PHE B 13 -16.563 5.769 -16.227 1.00 18.83 C ATOM 1586 O PHE B 13 -17.439 5.985 -17.041 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.552 6.806 -13.971 1.00 19.56 C ATOM 1588 CG PHE B 13 -18.023 7.137 -14.039 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.950 6.148 -14.386 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -18.459 8.440 -13.765 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -20.311 6.463 -14.457 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -19.818 8.752 -13.835 1.00 20.75 C ATOM 1593 CZ PHE B 13 -20.743 7.766 -14.181 1.00 18.48 C ATOM 0 H PHE B 13 -17.227 8.592 -15.657 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.889 6.795 -15.343 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.407 5.806 -13.562 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -16.037 7.500 -13.307 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.615 5.143 -14.599 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -17.743 9.204 -13.499 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -21.028 5.701 -14.725 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -20.153 9.756 -13.621 1.00 20.75 H new ATOM 0 HZ PHE B 13 -21.794 8.008 -14.236 1.00 18.48 H new ATOM 1603 N THR B 14 -16.099 4.569 -16.035 1.00 14.89 N ATOM 1604 CA THR B 14 -16.642 3.431 -16.820 1.00 13.37 C ATOM 1605 C THR B 14 -16.834 2.231 -15.894 1.00 11.97 C ATOM 1606 O THR B 14 -16.151 2.087 -14.899 1.00 10.76 O ATOM 1607 CB THR B 14 -15.666 3.063 -17.939 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.499 4.177 -18.805 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.219 1.877 -18.729 1.00 9.24 C ATOM 0 H THR B 14 -15.366 4.327 -15.368 1.00 14.89 H new ATOM 0 HA THR B 14 -17.599 3.714 -17.259 1.00 13.37 H new ATOM 0 HB THR B 14 -14.702 2.791 -17.508 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.873 3.943 -19.522 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.524 1.615 -19.526 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.346 1.024 -18.063 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.183 2.146 -19.162 1.00 9.24 H new ATOM 1617 N THR B 15 -17.758 1.368 -16.210 1.00 13.20 N ATOM 1618 CA THR B 15 -17.989 0.181 -15.342 1.00 12.54 C ATOM 1619 C THR B 15 -17.105 -0.973 -15.815 1.00 14.34 C ATOM 1620 O THR B 15 -17.236 -1.456 -16.922 1.00 17.35 O ATOM 1621 CB THR B 15 -19.459 -0.235 -15.425 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.207 0.796 -16.055 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.002 -0.473 -14.015 1.00 8.30 C ATOM 0 H THR B 15 -18.362 1.433 -17.030 1.00 13.20 H new ATOM 0 HA THR B 15 -17.741 0.431 -14.310 1.00 12.54 H new ATOM 0 HB THR B 15 -19.546 -1.153 -16.006 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.149 0.530 -16.110 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.049 -0.769 -14.074 1.00 8.30 H new ATOM 0 HG22 THR B 15 -19.428 -1.264 -13.533 1.00 8.30 H new ATOM 0 HG23 THR B 15 -19.917 0.444 -13.433 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.523 -1.404 -10.396 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.786 -0.013 -9.928 1.00 16.31 C ATOM 1818 C LEU B 28 -17.263 0.995 -10.954 1.00 14.21 C ATOM 1819 O LEU B 28 -16.219 0.809 -11.549 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.078 0.211 -8.593 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.986 1.006 -7.656 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.824 0.481 -6.227 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.595 2.485 -7.704 1.00 22.01 C ATOM 0 HA LEU B 28 -18.860 0.127 -9.807 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -16.822 -0.747 -8.141 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.143 0.748 -8.752 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.024 0.894 -7.970 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.471 1.046 -5.556 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.099 -0.573 -6.193 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.787 0.595 -5.913 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -18.242 3.054 -7.036 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.558 2.598 -7.388 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.707 2.858 -8.722 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.978 2.069 -11.156 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.526 3.101 -12.132 1.00 9.77 C ATOM 1837 C ASN B 29 -16.087 3.512 -11.806 1.00 7.94 C ATOM 1838 O ASN B 29 -15.809 4.016 -10.739 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.435 4.327 -12.023 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.777 4.032 -12.695 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.893 3.096 -13.462 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -20.803 4.796 -12.438 1.00 12.89 N ATOM 0 H ASN B 29 -18.859 2.276 -10.685 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.571 2.695 -13.143 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -18.590 4.585 -10.975 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -17.961 5.187 -12.496 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -21.702 4.608 -12.881 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -20.706 5.581 -11.794 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.171 3.306 -12.712 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.755 3.696 -12.444 1.00 13.16 C ATOM 1851 C GLU B 30 -13.379 4.877 -13.344 1.00 12.26 C ATOM 1852 O GLU B 30 -14.073 5.187 -14.290 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.833 2.511 -12.747 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.704 1.631 -11.502 1.00 27.13 C ATOM 1855 CD GLU B 30 -12.532 0.171 -11.926 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -11.635 -0.097 -12.709 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -13.299 -0.655 -11.460 1.00 38.01 O ATOM 0 H GLU B 30 -15.340 2.885 -13.626 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.645 3.982 -11.398 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.233 1.928 -13.577 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.851 2.870 -13.054 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -11.850 1.950 -10.904 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.589 1.737 -10.875 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.288 5.538 -13.061 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.882 6.697 -13.911 1.00 9.46 C ATOM 1866 C GLN B 31 -10.356 6.740 -14.035 1.00 10.09 C ATOM 1867 O GLN B 31 -9.642 6.121 -13.273 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.375 8.001 -13.272 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.853 8.970 -14.358 1.00 10.62 C ATOM 1870 CD GLN B 31 -12.050 10.268 -14.265 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.863 10.243 -14.013 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.649 11.410 -14.454 1.00 12.39 N ATOM 0 H GLN B 31 -11.663 5.328 -12.283 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.323 6.585 -14.901 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.188 7.790 -12.578 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.572 8.458 -12.693 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.728 8.521 -15.343 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.916 9.177 -14.235 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -13.646 11.434 -14.666 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -12.120 12.280 -14.390 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.856 7.464 -15.000 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.382 7.551 -15.192 1.00 10.34 C ATOM 1883 C LEU B 32 -7.862 8.888 -14.647 1.00 9.02 C ATOM 1884 O LEU B 32 -8.620 9.710 -14.176 1.00 11.15 O ATOM 1885 CB LEU B 32 -8.082 7.448 -16.680 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.087 5.976 -17.086 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -6.830 5.288 -16.548 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -9.331 5.286 -16.515 1.00 15.89 C ATOM 0 H LEU B 32 -10.410 8.002 -15.667 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.889 6.741 -14.655 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.827 8.000 -17.254 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -7.113 7.896 -16.901 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.101 5.905 -18.174 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -6.837 4.238 -16.840 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -5.945 5.773 -16.960 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -6.812 5.363 -15.461 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -9.331 4.236 -16.807 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -9.321 5.360 -15.428 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -10.227 5.771 -16.904 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.574 9.114 -14.701 1.00 9.68 N ATOM 1901 CA CYS B 33 -6.018 10.392 -14.183 1.00 8.10 C ATOM 1902 C CYS B 33 -4.520 10.431 -14.486 1.00 6.34 C ATOM 1903 O CYS B 33 -3.900 9.411 -14.704 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.227 10.497 -12.665 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.604 8.873 -11.950 1.00 13.84 S ATOM 0 H CYS B 33 -5.886 8.465 -15.083 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.530 11.226 -14.664 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.331 10.905 -12.198 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -7.041 11.190 -12.453 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.132 7.939 -12.721 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.930 11.594 -14.496 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.470 11.685 -14.783 1.00 7.08 C ATOM 1913 C TYR B 34 -1.755 12.174 -13.525 1.00 7.71 C ATOM 1914 O TYR B 34 -1.724 13.354 -13.243 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.230 12.691 -15.906 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.314 12.023 -17.261 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -3.209 10.976 -17.495 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -1.486 12.484 -18.295 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -3.272 10.390 -18.765 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -1.551 11.898 -19.557 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.442 10.853 -19.791 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.506 10.273 -21.042 1.00 21.14 O ATOM 0 H TYR B 34 -4.394 12.485 -14.318 1.00 7.35 H new ATOM 0 HA TYR B 34 -2.093 10.707 -15.082 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.967 13.492 -15.845 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -1.249 13.151 -15.784 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.849 10.621 -16.701 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -0.797 13.295 -18.112 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -3.962 9.580 -18.952 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -0.912 12.253 -20.352 1.00 16.38 H new ATOM 0 HH TYR B 34 -1.865 10.712 -21.639 1.00 21.14 H new ATOM 1932 N VAL B 35 -1.198 11.285 -12.757 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.511 11.716 -11.507 1.00 10.66 C ATOM 1934 C VAL B 35 1.007 11.606 -11.658 1.00 10.57 C ATOM 1935 O VAL B 35 1.530 10.584 -12.053 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.962 10.821 -10.354 1.00 10.22 C ATOM 1937 CG1 VAL B 35 -0.481 11.417 -9.029 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -2.490 10.728 -10.349 1.00 9.86 C ATOM 0 H VAL B 35 -1.187 10.281 -12.937 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.770 12.756 -11.306 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.538 9.824 -10.479 1.00 10.22 H new ATOM 0 HG11 VAL B 35 -0.802 10.779 -8.205 1.00 7.97 H new ATOM 0 HG12 VAL B 35 0.607 11.483 -9.034 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.905 12.413 -8.903 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.813 10.090 -9.527 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.915 11.724 -10.224 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.832 10.304 -11.293 1.00 9.86 H new ATOM 1948 N ASP B 36 1.723 12.646 -11.324 1.00 8.58 N ATOM 1949 CA ASP B 36 3.196 12.588 -11.420 1.00 11.48 C ATOM 1950 C ASP B 36 3.726 11.869 -10.178 1.00 12.38 C ATOM 1951 O ASP B 36 4.741 11.204 -10.216 1.00 11.89 O ATOM 1952 CB ASP B 36 3.768 14.007 -11.481 1.00 16.17 C ATOM 1953 CG ASP B 36 3.454 14.741 -10.176 1.00 17.97 C ATOM 1954 OD1 ASP B 36 2.283 14.858 -9.853 1.00 25.89 O ATOM 1955 OD2 ASP B 36 4.389 15.174 -9.523 1.00 15.67 O ATOM 0 H ASP B 36 1.344 13.532 -10.989 1.00 8.58 H new ATOM 0 HA ASP B 36 3.495 12.054 -12.322 1.00 11.48 H new ATOM 0 HB2 ASP B 36 4.846 13.969 -11.639 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.341 14.547 -12.326 1.00 16.17 H new ATOM 1960 N LEU B 37 3.017 12.004 -9.082 1.00 13.17 N ATOM 1961 CA LEU B 37 3.418 11.344 -7.801 1.00 18.47 C ATOM 1962 C LEU B 37 4.939 11.225 -7.700 1.00 21.14 C ATOM 1963 O LEU B 37 5.463 10.229 -7.241 1.00 24.24 O ATOM 1964 CB LEU B 37 2.787 9.948 -7.702 1.00 15.81 C ATOM 1965 CG LEU B 37 2.511 9.386 -9.098 1.00 20.59 C ATOM 1966 CD1 LEU B 37 3.810 8.845 -9.696 1.00 14.72 C ATOM 1967 CD2 LEU B 37 1.487 8.252 -8.991 1.00 20.01 C ATOM 0 H LEU B 37 2.161 12.555 -9.022 1.00 13.17 H new ATOM 0 HA LEU B 37 3.060 11.963 -6.978 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.454 9.278 -7.159 1.00 15.81 H new ATOM 0 HB3 LEU B 37 1.858 10.002 -7.135 1.00 15.81 H new ATOM 0 HG LEU B 37 2.119 10.175 -9.740 1.00 20.59 H new ATOM 0 HD11 LEU B 37 3.614 8.445 -10.691 1.00 14.72 H new ATOM 0 HD12 LEU B 37 4.541 9.650 -9.767 1.00 14.72 H new ATOM 0 HD13 LEU B 37 4.203 8.054 -9.057 1.00 14.72 H new ATOM 0 HD21 LEU B 37 1.287 7.848 -9.983 1.00 20.01 H new ATOM 0 HD22 LEU B 37 1.883 7.463 -8.351 1.00 20.01 H new ATOM 0 HD23 LEU B 37 0.562 8.637 -8.562 1.00 20.01 H new ATOM 1979 N GLY B 38 5.653 12.236 -8.106 1.00 20.70 N ATOM 1980 CA GLY B 38 7.134 12.181 -8.009 1.00 23.91 C ATOM 1981 C GLY B 38 7.753 11.871 -9.378 1.00 26.50 C ATOM 1982 O GLY B 38 8.885 11.440 -9.471 1.00 31.02 O ATOM 0 H GLY B 38 5.274 13.097 -8.500 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.515 13.133 -7.638 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.429 11.417 -7.289 1.00 23.91 H new ATOM 1986 N ASN B 39 7.032 12.106 -10.443 1.00 27.64 N ATOM 1987 CA ASN B 39 7.588 11.848 -11.796 1.00 30.27 C ATOM 1988 C ASN B 39 7.240 13.039 -12.691 1.00 26.79 C ATOM 1989 O ASN B 39 6.116 13.194 -13.120 1.00 26.87 O ATOM 1990 CB ASN B 39 7.004 10.559 -12.396 1.00 35.62 C ATOM 1991 CG ASN B 39 6.769 9.514 -11.299 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.445 9.510 -10.291 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.836 8.612 -11.462 1.00 39.63 N ATOM 0 H ASN B 39 6.078 12.467 -10.430 1.00 27.64 H new ATOM 0 HA ASN B 39 8.668 11.723 -11.725 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.065 10.780 -12.903 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.685 10.159 -13.147 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.677 7.907 -10.743 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.267 8.614 -12.309 1.00 39.63 H new ATOM 2000 N GLU B 40 8.201 13.887 -12.939 1.00 25.15 N ATOM 2001 CA GLU B 40 7.977 15.106 -13.781 1.00 23.81 C ATOM 2002 C GLU B 40 6.882 14.871 -14.822 1.00 21.12 C ATOM 2003 O GLU B 40 6.087 15.744 -15.110 1.00 19.86 O ATOM 2004 CB GLU B 40 9.280 15.474 -14.493 1.00 27.22 C ATOM 2005 CG GLU B 40 10.379 15.716 -13.456 1.00 34.87 C ATOM 2006 CD GLU B 40 11.535 14.744 -13.700 1.00 38.97 C ATOM 2007 OE1 GLU B 40 12.181 14.868 -14.727 1.00 42.34 O ATOM 2008 OE2 GLU B 40 11.755 13.892 -12.855 1.00 39.54 O ATOM 0 H GLU B 40 9.153 13.787 -12.588 1.00 25.15 H new ATOM 0 HA GLU B 40 7.658 15.918 -13.128 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.575 14.673 -15.171 1.00 27.22 H new ATOM 0 HB3 GLU B 40 9.135 16.368 -15.100 1.00 27.22 H new ATOM 0 HG2 GLU B 40 10.735 16.744 -13.521 1.00 34.87 H new ATOM 0 HG3 GLU B 40 9.981 15.579 -12.450 1.00 34.87 H new ATOM 2015 N HIS B 41 6.834 13.705 -15.381 1.00 6.22 N ATOM 2016 CA HIS B 41 5.788 13.409 -16.404 1.00 5.66 C ATOM 2017 C HIS B 41 4.539 12.866 -15.704 1.00 4.44 C ATOM 2018 O HIS B 41 4.632 12.288 -14.641 1.00 3.45 O ATOM 2019 CB HIS B 41 6.318 12.367 -17.391 1.00 6.50 C ATOM 2020 CG HIS B 41 7.285 13.021 -18.338 1.00 5.68 C ATOM 2021 ND1 HIS B 41 8.516 13.505 -17.922 1.00 6.25 N ATOM 2022 CD2 HIS B 41 7.217 13.281 -19.685 1.00 4.96 C ATOM 2023 CE1 HIS B 41 9.132 14.025 -18.999 1.00 5.78 C ATOM 2024 NE2 HIS B 41 8.384 13.915 -20.100 1.00 5.01 N ATOM 0 H HIS B 41 7.473 12.936 -15.178 1.00 6.22 H new ATOM 0 HA HIS B 41 5.536 14.321 -16.946 1.00 5.66 H new ATOM 0 HB2 HIS B 41 6.811 11.558 -16.852 1.00 6.50 H new ATOM 0 HB3 HIS B 41 5.492 11.923 -17.947 1.00 6.50 H new ATOM 0 HD2 HIS B 41 6.384 13.031 -20.325 1.00 4.96 H new ATOM 0 HE1 HIS B 41 10.113 14.477 -18.976 1.00 5.78 H new ATOM 0 HE2 HIS B 41 8.618 14.228 -21.042 1.00 5.01 H new ATOM 2032 N PRO B 42 3.403 13.066 -16.320 1.00 15.11 N ATOM 2033 CA PRO B 42 2.121 12.604 -15.768 1.00 16.08 C ATOM 2034 C PRO B 42 1.963 11.106 -15.978 1.00 17.92 C ATOM 2035 O PRO B 42 2.435 10.553 -16.951 1.00 17.13 O ATOM 2036 CB PRO B 42 1.075 13.351 -16.587 1.00 16.41 C ATOM 2037 CG PRO B 42 1.768 13.754 -17.908 1.00 13.79 C ATOM 2038 CD PRO B 42 3.286 13.758 -17.621 1.00 16.28 C ATOM 0 HA PRO B 42 2.038 12.788 -14.697 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.208 12.719 -16.779 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.717 14.230 -16.052 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.525 13.050 -18.704 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.433 14.737 -18.238 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.842 13.238 -18.402 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.681 14.773 -17.571 1.00 16.28 H new ATOM 2046 N VAL B 43 1.294 10.444 -15.085 1.00 16.29 N ATOM 2047 CA VAL B 43 1.102 8.992 -15.258 1.00 14.28 C ATOM 2048 C VAL B 43 -0.386 8.687 -15.349 1.00 9.00 C ATOM 2049 O VAL B 43 -1.147 8.946 -14.439 1.00 7.99 O ATOM 2050 CB VAL B 43 1.729 8.248 -14.075 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.045 8.926 -13.689 1.00 18.07 C ATOM 2052 CG2 VAL B 43 0.775 8.269 -12.873 1.00 20.57 C ATOM 0 H VAL B 43 0.874 10.847 -14.247 1.00 16.29 H new ATOM 0 HA VAL B 43 1.587 8.662 -16.176 1.00 14.28 H new ATOM 0 HB VAL B 43 1.916 7.214 -14.364 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.493 8.398 -12.847 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.729 8.903 -14.537 1.00 18.07 H new ATOM 0 HG13 VAL B 43 2.852 9.961 -13.407 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.231 7.737 -12.038 1.00 20.57 H new ATOM 0 HG22 VAL B 43 0.578 9.301 -12.582 1.00 20.57 H new ATOM 0 HG23 VAL B 43 -0.163 7.784 -13.144 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.805 8.133 -16.444 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.237 7.807 -16.592 1.00 11.55 C ATOM 2064 C LEU B 44 -2.565 6.634 -15.674 1.00 10.61 C ATOM 2065 O LEU B 44 -2.133 5.519 -15.888 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.525 7.446 -18.040 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.978 7.006 -18.170 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.890 8.028 -17.489 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.345 6.897 -19.651 1.00 20.21 C ATOM 0 H LEU B 44 -0.216 7.893 -17.242 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.853 8.663 -16.319 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.333 8.303 -18.685 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.860 6.646 -18.367 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.107 6.036 -17.690 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.928 7.710 -17.584 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.629 8.102 -16.433 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.764 9.001 -17.963 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.384 6.582 -19.746 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.214 7.867 -20.131 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.698 6.164 -20.133 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.306 6.890 -14.638 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.649 5.810 -13.676 1.00 9.29 C ATOM 2083 C VAL B 45 -5.166 5.660 -13.587 1.00 9.95 C ATOM 2084 O VAL B 45 -5.912 6.477 -14.087 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.063 6.169 -12.311 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.841 5.481 -11.182 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.603 5.719 -12.268 1.00 10.20 C ATOM 0 H VAL B 45 -3.692 7.807 -14.414 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.232 4.860 -14.011 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.134 7.247 -12.169 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.404 5.753 -10.221 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.883 5.801 -11.211 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.790 4.400 -11.311 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.173 5.970 -11.298 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.550 4.641 -12.421 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.043 6.225 -13.055 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.624 4.614 -12.961 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.090 4.403 -12.848 1.00 12.81 C ATOM 2099 C LYS B 46 -7.629 5.084 -11.589 1.00 13.35 C ATOM 2100 O LYS B 46 -6.916 5.764 -10.879 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.385 2.903 -12.783 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.413 2.327 -14.199 1.00 26.60 C ATOM 2103 CD LYS B 46 -8.739 1.601 -14.429 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.468 0.222 -15.032 1.00 34.48 C ATOM 2105 NZ LYS B 46 -9.418 -0.025 -16.153 1.00 36.74 N ATOM 0 H LYS B 46 -5.046 3.897 -12.523 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.578 4.837 -13.720 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.624 2.397 -12.188 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.342 2.731 -12.290 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -7.292 3.126 -14.930 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -6.580 1.638 -14.339 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -9.278 1.498 -13.487 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -9.374 2.183 -15.097 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -7.441 0.166 -15.393 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.580 -0.549 -14.269 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -9.234 -0.963 -16.564 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -10.394 0.011 -15.795 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.290 0.704 -16.884 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.889 4.905 -11.310 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.484 5.538 -10.103 1.00 16.93 C ATOM 2121 C ILE B 47 -10.879 4.951 -9.864 1.00 16.52 C ATOM 2122 O ILE B 47 -11.393 4.199 -10.667 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.558 7.066 -10.313 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.148 7.774 -9.027 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.979 7.509 -10.682 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -7.969 8.706 -9.312 1.00 18.26 C ATOM 0 H ILE B 47 -9.534 4.346 -11.868 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.866 5.338 -9.227 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.885 7.327 -11.129 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -9.988 8.344 -8.629 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.872 7.042 -8.268 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.998 8.590 -10.823 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -11.285 7.017 -11.605 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.665 7.236 -9.880 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -7.675 9.213 -8.393 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.128 8.124 -9.690 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -8.262 9.446 -10.057 1.00 18.26 H new ATOM 2138 N THR B 48 -11.496 5.298 -8.771 1.00 16.86 N ATOM 2139 CA THR B 48 -12.856 4.769 -8.489 1.00 16.59 C ATOM 2140 C THR B 48 -13.873 5.901 -8.633 1.00 19.04 C ATOM 2141 O THR B 48 -13.596 7.044 -8.326 1.00 22.56 O ATOM 2142 CB THR B 48 -12.906 4.215 -7.067 1.00 16.30 C ATOM 2143 OG1 THR B 48 -12.102 3.046 -6.987 1.00 17.90 O ATOM 2144 CG2 THR B 48 -14.350 3.870 -6.702 1.00 16.02 C ATOM 0 H THR B 48 -11.117 5.925 -8.061 1.00 16.86 H new ATOM 0 HA THR B 48 -13.092 3.971 -9.193 1.00 16.59 H new ATOM 0 HB THR B 48 -12.528 4.964 -6.372 1.00 16.30 H new ATOM 0 HG1 THR B 48 -12.132 2.690 -6.074 1.00 17.90 H new ATOM 0 HG21 THR B 48 -14.384 3.475 -5.687 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.965 4.768 -6.763 1.00 16.02 H new ATOM 0 HG23 THR B 48 -14.732 3.121 -7.396 1.00 16.02 H new ATOM 2152 N LEU B 49 -15.046 5.593 -9.106 1.00 18.35 N ATOM 2153 CA LEU B 49 -16.083 6.643 -9.283 1.00 18.82 C ATOM 2154 C LEU B 49 -17.372 6.194 -8.591 1.00 20.06 C ATOM 2155 O LEU B 49 -18.123 5.393 -9.112 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.328 6.845 -10.785 1.00 18.79 C ATOM 2157 CG LEU B 49 -17.225 8.063 -11.047 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -18.689 7.618 -11.094 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -17.050 9.122 -9.950 1.00 14.50 C ATOM 0 H LEU B 49 -15.332 4.653 -9.379 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.753 7.584 -8.842 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.374 6.977 -11.296 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.793 5.952 -11.203 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.937 8.503 -12.002 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -19.326 8.483 -11.280 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.822 6.890 -11.894 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -18.962 7.164 -10.141 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -17.697 9.974 -10.160 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -17.317 8.693 -8.984 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -16.012 9.452 -9.925 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.626 6.698 -7.412 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.856 6.299 -6.670 1.00 27.04 C ATOM 2173 C ASP B 50 -20.044 6.222 -7.629 1.00 27.73 C ATOM 2174 O ASP B 50 -20.311 7.140 -8.379 1.00 26.65 O ATOM 2175 CB ASP B 50 -19.149 7.332 -5.581 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.458 6.917 -4.281 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -17.436 6.256 -4.363 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -18.961 7.268 -3.227 1.00 30.76 O ATOM 0 H ASP B 50 -17.031 7.372 -6.930 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.698 5.320 -6.217 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.797 8.315 -5.894 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -20.224 7.414 -5.423 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.765 5.133 -7.606 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.938 4.998 -8.509 1.00 34.22 C ATOM 2185 C GLU B 51 -22.837 6.224 -8.350 1.00 34.98 C ATOM 2186 O GLU B 51 -23.605 6.326 -7.414 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.721 3.738 -8.136 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.992 3.662 -8.980 1.00 46.84 C ATOM 2189 CD GLU B 51 -25.209 3.531 -8.063 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.075 2.913 -7.019 1.00 53.83 O ATOM 2191 OE2 GLU B 51 -26.253 4.051 -8.419 1.00 54.92 O ATOM 0 H GLU B 51 -20.590 4.332 -6.999 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.602 4.923 -9.543 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.107 2.853 -8.302 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.975 3.755 -7.076 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.084 4.555 -9.598 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.941 2.809 -9.657 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.744 7.159 -9.254 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.590 8.380 -9.150 1.00 34.93 C ATOM 2200 C GLY B 52 -22.690 9.616 -9.131 1.00 36.10 C ATOM 2201 O GLY B 52 -23.015 10.642 -9.695 1.00 35.97 O ATOM 0 H GLY B 52 -22.119 7.130 -10.060 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -24.280 8.431 -9.992 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.195 8.342 -8.244 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.556 9.526 -8.490 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.635 10.694 -8.442 1.00 35.40 C ATOM 2207 C GLN B 53 -20.150 11.006 -9.860 1.00 31.02 C ATOM 2208 O GLN B 53 -20.077 10.126 -10.694 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.435 10.362 -7.552 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.556 11.116 -6.226 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.186 11.180 -5.548 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.294 10.427 -5.885 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.979 12.053 -4.601 1.00 54.76 N ATOM 0 H GLN B 53 -21.229 8.694 -7.998 1.00 36.52 H new ATOM 0 HA GLN B 53 -21.157 11.559 -8.033 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.391 9.288 -7.369 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.508 10.638 -8.056 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.934 12.123 -6.401 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.273 10.615 -5.575 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -18.728 12.685 -4.318 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -17.069 12.103 -4.144 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.834 12.252 -10.091 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.354 12.717 -11.402 1.00 23.44 C ATOM 2224 C PRO B 54 -17.887 12.329 -11.603 1.00 20.14 C ATOM 2225 O PRO B 54 -17.017 12.755 -10.870 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.516 14.234 -11.330 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.538 14.596 -9.830 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.924 13.313 -9.070 1.00 28.37 C ATOM 0 HA PRO B 54 -19.899 12.278 -12.238 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.694 14.737 -11.840 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.437 14.550 -11.820 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.563 14.959 -9.505 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.256 15.392 -9.635 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.247 13.124 -8.237 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.929 13.383 -8.654 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.612 11.519 -12.591 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.209 11.093 -12.852 1.00 15.58 C ATOM 2238 C ALA B 55 -15.253 12.274 -12.646 1.00 16.41 C ATOM 2239 O ALA B 55 -15.600 13.414 -12.881 1.00 13.65 O ATOM 2240 CB ALA B 55 -16.106 10.595 -14.294 1.00 13.98 C ATOM 0 H ALA B 55 -18.305 11.133 -13.232 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.935 10.296 -12.161 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -15.083 10.280 -14.498 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.781 9.751 -14.437 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.381 11.399 -14.977 1.00 13.98 H new ATOM 2246 N TYR B 56 -14.051 12.007 -12.205 1.00 15.93 N ATOM 2247 CA TYR B 56 -13.071 13.110 -11.979 1.00 14.61 C ATOM 2248 C TYR B 56 -13.044 14.031 -13.201 1.00 15.51 C ATOM 2249 O TYR B 56 -12.332 13.793 -14.153 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.675 12.514 -11.745 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.643 11.767 -10.419 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.820 11.624 -9.663 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.446 11.224 -9.953 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -12.789 10.937 -8.446 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.420 10.540 -8.737 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.587 10.395 -7.983 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.552 9.717 -6.781 1.00 12.03 O ATOM 0 H TYR B 56 -13.706 11.071 -11.991 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.368 13.687 -11.103 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.419 11.837 -12.560 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.928 13.307 -11.743 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.747 12.045 -10.022 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -9.541 11.333 -10.532 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -13.692 10.825 -7.865 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -9.492 10.120 -8.377 1.00 7.90 H new ATOM 0 HH TYR B 56 -10.719 9.205 -6.718 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.817 15.082 -13.182 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.832 16.015 -14.344 1.00 14.95 C ATOM 2269 C ALA B 57 -12.393 16.350 -14.749 1.00 15.46 C ATOM 2270 O ALA B 57 -11.457 15.958 -14.081 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.563 17.302 -13.956 1.00 14.98 C ATOM 0 H ALA B 57 -14.438 15.335 -12.413 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.346 15.543 -15.181 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.574 17.985 -14.806 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.587 17.066 -13.667 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -14.049 17.774 -13.118 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.263 17.069 -15.834 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.950 17.481 -16.360 1.00 16.55 C ATOM 2279 C PRO B 58 -10.409 18.664 -15.555 1.00 16.75 C ATOM 2280 O PRO B 58 -11.057 19.684 -15.425 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.255 17.897 -17.802 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.763 18.241 -17.847 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.410 17.541 -16.636 1.00 13.96 C ATOM 0 HA PRO B 58 -10.195 16.697 -16.300 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.652 18.756 -18.094 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -11.019 17.091 -18.497 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.916 19.319 -17.799 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.211 17.897 -18.779 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -14.037 18.228 -16.068 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -14.046 16.712 -16.948 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.230 18.541 -15.010 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.668 19.667 -14.215 1.00 15.08 C ATOM 2293 C GLY B 59 -7.468 19.187 -13.397 1.00 14.96 C ATOM 2294 O GLY B 59 -7.095 18.032 -13.445 1.00 13.79 O ATOM 0 H GLY B 59 -8.636 17.715 -15.080 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -8.364 20.476 -14.880 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.432 20.070 -13.551 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.867 20.066 -12.636 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.704 19.664 -11.795 1.00 14.53 C ATOM 2300 C LEU B 60 -6.223 18.837 -10.622 1.00 14.15 C ATOM 2301 O LEU B 60 -7.277 19.117 -10.086 1.00 13.27 O ATOM 2302 CB LEU B 60 -5.011 20.918 -11.258 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.503 20.801 -11.464 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.817 22.065 -10.938 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.977 19.580 -10.706 1.00 15.01 C ATOM 0 H LEU B 60 -7.134 21.048 -12.562 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.995 19.083 -12.385 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -5.390 21.802 -11.770 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -5.234 21.043 -10.198 1.00 15.84 H new ATOM 0 HG LEU B 60 -3.289 20.687 -12.527 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.740 21.982 -11.085 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -3.191 22.934 -11.479 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -3.031 22.180 -9.875 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.900 19.496 -10.853 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -3.190 19.692 -9.643 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -3.465 18.681 -11.081 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.518 17.818 -10.212 1.00 11.12 N ATOM 2318 CA TYR B 61 -6.029 17.008 -9.079 1.00 9.57 C ATOM 2319 C TYR B 61 -4.993 16.871 -7.982 1.00 11.76 C ATOM 2320 O TYR B 61 -3.813 17.101 -8.166 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.448 15.625 -9.571 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.869 15.729 -10.055 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -8.165 16.556 -11.138 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.890 15.032 -9.398 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.483 16.687 -11.574 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -10.211 15.166 -9.832 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.505 15.995 -10.920 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.807 16.128 -11.358 1.00 14.61 O ATOM 0 H TYR B 61 -4.626 17.518 -10.606 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.894 17.525 -8.664 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.793 15.289 -10.375 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.369 14.892 -8.768 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.374 17.095 -11.639 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.657 14.393 -8.559 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.713 17.323 -12.416 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -11.003 14.631 -9.329 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.813 16.270 -12.328 1.00 14.61 H new ATOM 2338 N THR B 62 -5.452 16.476 -6.839 1.00 12.22 N ATOM 2339 CA THR B 62 -4.559 16.278 -5.687 1.00 14.26 C ATOM 2340 C THR B 62 -5.148 15.157 -4.858 1.00 15.40 C ATOM 2341 O THR B 62 -6.252 15.251 -4.359 1.00 16.24 O ATOM 2342 CB THR B 62 -4.481 17.548 -4.856 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.753 17.819 -4.283 1.00 18.36 O ATOM 2344 CG2 THR B 62 -4.059 18.709 -5.751 1.00 11.61 C ATOM 0 H THR B 62 -6.435 16.278 -6.654 1.00 12.22 H new ATOM 0 HA THR B 62 -3.550 16.033 -6.019 1.00 14.26 H new ATOM 0 HB THR B 62 -3.749 17.421 -4.058 1.00 15.07 H new ATOM 0 HG1 THR B 62 -6.075 17.023 -3.810 1.00 18.36 H new ATOM 0 HG21 THR B 62 -4.002 19.623 -5.159 1.00 11.61 H new ATOM 0 HG22 THR B 62 -3.082 18.497 -6.186 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.791 18.839 -6.548 1.00 11.61 H new ATOM 2352 N VAL B 63 -4.441 14.089 -4.726 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.987 12.954 -3.950 1.00 15.17 C ATOM 2354 C VAL B 63 -5.547 13.476 -2.632 1.00 14.24 C ATOM 2355 O VAL B 63 -5.344 14.616 -2.263 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.896 11.925 -3.695 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.521 10.656 -3.122 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -3.194 11.594 -5.018 1.00 18.64 C ATOM 0 H VAL B 63 -3.510 13.947 -5.119 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.786 12.473 -4.514 1.00 15.17 H new ATOM 0 HB VAL B 63 -3.172 12.326 -2.986 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.741 9.917 -2.938 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -5.026 10.890 -2.185 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.243 10.253 -3.833 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.411 10.857 -4.840 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.920 11.190 -5.724 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.752 12.500 -5.432 1.00 18.64 H new ATOM 2368 N HIS B 64 -6.254 12.652 -1.924 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.839 13.093 -0.629 1.00 10.78 C ATOM 2370 C HIS B 64 -6.574 12.014 0.426 1.00 14.19 C ATOM 2371 O HIS B 64 -6.826 10.841 0.203 1.00 11.59 O ATOM 2372 CB HIS B 64 -8.349 13.313 -0.794 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.808 14.377 0.164 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -9.294 14.074 1.424 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.835 15.748 0.073 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -9.578 15.229 2.043 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -9.320 16.285 1.264 1.00 20.65 N ATOM 0 H HIS B 64 -6.455 11.686 -2.184 1.00 13.31 H new ATOM 0 HA HIS B 64 -6.382 14.031 -0.313 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -8.574 13.609 -1.818 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.886 12.383 -0.606 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -8.528 16.321 -0.789 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -9.968 15.298 3.048 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.450 17.271 1.492 1.00 20.65 H new ATOM 2385 N LEU B 65 -6.053 12.400 1.566 1.00 12.93 N ATOM 2386 CA LEU B 65 -5.751 11.401 2.633 1.00 14.44 C ATOM 2387 C LEU B 65 -7.044 10.759 3.125 1.00 12.66 C ATOM 2388 O LEU B 65 -7.025 9.786 3.853 1.00 10.20 O ATOM 2389 CB LEU B 65 -5.071 12.088 3.816 1.00 14.94 C ATOM 2390 CG LEU B 65 -3.978 13.035 3.322 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.053 14.351 4.101 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -2.615 12.385 3.549 1.00 19.03 C ATOM 0 H LEU B 65 -5.824 13.366 1.802 1.00 12.93 H new ATOM 0 HA LEU B 65 -5.091 10.640 2.216 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -5.808 12.643 4.396 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -4.640 11.340 4.481 1.00 14.94 H new ATOM 0 HG LEU B 65 -4.117 13.236 2.260 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -3.274 15.027 3.749 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.029 14.811 3.946 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.910 14.154 5.163 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -1.830 13.055 3.199 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.478 12.189 4.612 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -2.563 11.446 2.998 1.00 19.03 H new ATOM 2404 N SER B 66 -8.164 11.289 2.737 1.00 13.51 N ATOM 2405 CA SER B 66 -9.455 10.700 3.187 1.00 10.39 C ATOM 2406 C SER B 66 -9.378 9.182 3.030 1.00 8.56 C ATOM 2407 O SER B 66 -10.058 8.438 3.710 1.00 11.70 O ATOM 2408 CB SER B 66 -10.600 11.243 2.332 1.00 12.88 C ATOM 2409 OG SER B 66 -11.620 10.257 2.231 1.00 14.72 O ATOM 0 H SER B 66 -8.245 12.104 2.128 1.00 13.51 H new ATOM 0 HA SER B 66 -9.637 10.962 4.229 1.00 10.39 H new ATOM 0 HB2 SER B 66 -11.001 12.154 2.777 1.00 12.88 H new ATOM 0 HB3 SER B 66 -10.234 11.507 1.340 1.00 12.88 H new ATOM 0 HG SER B 66 -12.498 10.687 2.295 1.00 14.72 H new ATOM 2415 N SER B 67 -8.555 8.721 2.128 1.00 7.98 N ATOM 2416 CA SER B 67 -8.426 7.255 1.907 1.00 8.20 C ATOM 2417 C SER B 67 -7.203 6.705 2.653 1.00 11.02 C ATOM 2418 O SER B 67 -7.033 5.509 2.775 1.00 11.45 O ATOM 2419 CB SER B 67 -8.265 6.988 0.411 1.00 8.01 C ATOM 2420 OG SER B 67 -9.244 7.730 -0.305 1.00 11.22 O ATOM 0 H SER B 67 -7.964 9.301 1.532 1.00 7.98 H new ATOM 0 HA SER B 67 -9.320 6.759 2.285 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.265 7.273 0.084 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.376 5.923 0.206 1.00 8.01 H new ATOM 0 HG SER B 67 -9.546 7.211 -1.079 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.337 7.557 3.139 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.125 7.055 3.851 1.00 11.79 C ATOM 2428 C PHE B 68 -5.492 6.670 5.283 1.00 12.69 C ATOM 2429 O PHE B 68 -6.432 7.183 5.857 1.00 14.25 O ATOM 2430 CB PHE B 68 -4.046 8.144 3.874 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.773 8.647 2.473 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.425 8.085 1.362 1.00 10.16 C ATOM 2433 CD2 PHE B 68 -2.880 9.707 2.293 1.00 12.12 C ATOM 2434 CE1 PHE B 68 -4.178 8.587 0.082 1.00 9.89 C ATOM 2435 CE2 PHE B 68 -2.638 10.210 1.011 1.00 10.35 C ATOM 2436 CZ PHE B 68 -3.288 9.648 -0.093 1.00 11.87 C ATOM 0 H PHE B 68 -6.416 8.572 3.074 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.741 6.180 3.327 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.368 8.970 4.507 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -3.129 7.747 4.310 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -5.116 7.266 1.498 1.00 10.16 H new ATOM 0 HD2 PHE B 68 -2.376 10.138 3.145 1.00 12.12 H new ATOM 0 HE1 PHE B 68 -4.676 8.154 -0.773 1.00 9.89 H new ATOM 0 HE2 PHE B 68 -1.950 11.031 0.873 1.00 10.35 H new ATOM 0 HZ PHE B 68 -3.101 10.036 -1.083 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.752 5.766 5.860 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.046 5.337 7.255 1.00 15.38 C ATOM 2448 C LYS B 69 -3.782 4.743 7.875 1.00 15.02 C ATOM 2449 O LYS B 69 -2.795 4.518 7.201 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.149 4.276 7.245 1.00 16.04 C ATOM 2451 CG LYS B 69 -7.387 4.826 6.534 1.00 20.35 C ATOM 2452 CD LYS B 69 -8.521 3.802 6.620 1.00 21.35 C ATOM 2453 CE LYS B 69 -9.613 4.159 5.610 1.00 30.24 C ATOM 2454 NZ LYS B 69 -10.888 3.496 6.002 1.00 32.70 N ATOM 0 H LYS B 69 -3.954 5.304 5.424 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.375 6.197 7.838 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.797 3.377 6.740 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.401 3.990 8.266 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -7.695 5.766 6.992 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -7.155 5.041 5.491 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -8.137 2.802 6.418 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -8.935 3.787 7.628 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -9.749 5.240 5.572 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -9.317 3.840 4.611 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -11.631 3.738 5.316 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -10.753 2.465 6.016 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -11.172 3.821 6.948 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.803 4.484 9.153 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.603 3.901 9.813 1.00 13.49 C ATOM 2470 C VAL B 70 -2.819 2.400 10.004 1.00 11.85 C ATOM 2471 O VAL B 70 -3.501 1.971 10.914 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.370 4.553 11.179 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.913 5.004 11.282 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.292 5.765 11.361 1.00 15.63 C ATOM 0 H VAL B 70 -4.599 4.651 9.768 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.731 4.081 9.184 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.591 3.824 11.959 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.744 5.469 12.253 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.256 4.141 11.173 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.699 5.725 10.493 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.112 6.215 12.337 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -3.088 6.498 10.580 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.332 5.444 11.295 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.244 1.598 9.153 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.417 0.123 9.283 1.00 11.07 C ATOM 2486 C GLY B 71 -1.754 -0.355 10.576 1.00 12.15 C ATOM 2487 O GLY B 71 -1.258 0.433 11.357 1.00 12.70 O ATOM 0 H GLY B 71 -1.661 1.899 8.372 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -3.477 -0.131 9.290 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -1.974 -0.383 8.425 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.739 -1.640 10.810 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.106 -2.160 12.053 1.00 19.42 C ATOM 2493 C GLN B 72 0.367 -2.462 11.783 1.00 16.97 C ATOM 2494 O GLN B 72 0.967 -3.307 12.417 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.815 -3.441 12.510 1.00 22.64 C ATOM 2496 CG GLN B 72 -3.247 -3.467 11.967 1.00 25.29 C ATOM 2497 CD GLN B 72 -3.289 -4.296 10.682 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -4.326 -4.806 10.308 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -2.197 -4.453 9.985 1.00 25.15 N ATOM 0 H GLN B 72 -2.137 -2.349 10.195 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.190 -1.408 12.838 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -1.267 -4.315 12.158 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.829 -3.491 13.599 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -3.921 -3.893 12.710 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -3.591 -2.452 11.769 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -1.326 -4.025 10.299 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -2.215 -5.004 9.127 1.00 25.15 H new ATOM 2508 N PHE B 73 0.950 -1.774 10.845 1.00 14.56 N ATOM 2509 CA PHE B 73 2.384 -2.011 10.524 1.00 14.60 C ATOM 2510 C PHE B 73 3.220 -0.821 10.999 1.00 15.63 C ATOM 2511 O PHE B 73 4.408 -0.750 10.759 1.00 17.80 O ATOM 2512 CB PHE B 73 2.544 -2.168 9.013 1.00 12.63 C ATOM 2513 CG PHE B 73 3.354 -3.405 8.723 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.704 -3.460 9.091 1.00 16.27 C ATOM 2515 CD2 PHE B 73 2.758 -4.499 8.086 1.00 19.79 C ATOM 2516 CE1 PHE B 73 5.457 -4.609 8.822 1.00 20.44 C ATOM 2517 CE2 PHE B 73 3.511 -5.648 7.816 1.00 18.68 C ATOM 2518 CZ PHE B 73 4.860 -5.703 8.184 1.00 17.88 C ATOM 0 H PHE B 73 0.494 -1.054 10.284 1.00 14.56 H new ATOM 0 HA PHE B 73 2.723 -2.917 11.027 1.00 14.60 H new ATOM 0 HB2 PHE B 73 1.566 -2.241 8.538 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.037 -1.290 8.595 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.164 -2.616 9.583 1.00 16.27 H new ATOM 0 HD2 PHE B 73 1.717 -4.457 7.803 1.00 19.79 H new ATOM 0 HE1 PHE B 73 6.498 -4.652 9.106 1.00 20.44 H new ATOM 0 HE2 PHE B 73 3.051 -6.492 7.324 1.00 18.68 H new ATOM 0 HZ PHE B 73 5.441 -6.589 7.976 1.00 17.88 H new ATOM 2528 N GLY B 74 2.609 0.117 11.668 1.00 13.82 N ATOM 2529 CA GLY B 74 3.370 1.301 12.152 1.00 13.44 C ATOM 2530 C GLY B 74 3.826 2.136 10.955 1.00 10.42 C ATOM 2531 O GLY B 74 4.980 2.499 10.844 1.00 13.62 O ATOM 0 H GLY B 74 1.616 0.114 11.900 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.746 1.903 12.813 1.00 13.44 H new ATOM 0 HA3 GLY B 74 4.233 0.979 12.735 1.00 13.44 H new ATOM 2535 N SER B 75 2.927 2.449 10.059 1.00 12.64 N ATOM 2536 CA SER B 75 3.309 3.265 8.871 1.00 12.47 C ATOM 2537 C SER B 75 2.048 3.691 8.113 1.00 12.47 C ATOM 2538 O SER B 75 1.055 2.991 8.097 1.00 11.32 O ATOM 2539 CB SER B 75 4.198 2.435 7.944 1.00 11.21 C ATOM 2540 OG SER B 75 5.001 1.556 8.721 1.00 18.27 O ATOM 0 H SER B 75 1.945 2.175 10.099 1.00 12.64 H new ATOM 0 HA SER B 75 3.852 4.150 9.203 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.583 1.864 7.248 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.831 3.091 7.346 1.00 11.21 H new ATOM 0 HG SER B 75 5.465 2.066 9.417 1.00 18.27 H new ATOM 2546 N LEU B 76 2.081 4.834 7.481 1.00 12.43 N ATOM 2547 CA LEU B 76 0.887 5.303 6.720 1.00 12.18 C ATOM 2548 C LEU B 76 0.572 4.301 5.608 1.00 12.07 C ATOM 2549 O LEU B 76 1.419 3.529 5.202 1.00 9.82 O ATOM 2550 CB LEU B 76 1.184 6.671 6.102 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.130 7.376 5.763 1.00 8.87 C ATOM 2552 CD1 LEU B 76 0.078 8.892 5.808 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.582 6.963 4.359 1.00 7.80 C ATOM 0 H LEU B 76 2.884 5.463 7.459 1.00 12.43 H new ATOM 0 HA LEU B 76 0.033 5.385 7.392 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.765 7.277 6.797 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.787 6.552 5.202 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.893 7.093 6.488 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -0.858 9.395 5.566 1.00 9.28 H new ATOM 0 HD12 LEU B 76 0.400 9.186 6.807 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.840 9.176 5.083 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.519 7.465 4.116 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.180 7.246 3.633 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.730 5.884 4.327 1.00 7.80 H new ATOM 2565 N MET B 77 -0.635 4.301 5.109 1.00 14.08 N ATOM 2566 CA MET B 77 -0.985 3.340 4.024 1.00 14.12 C ATOM 2567 C MET B 77 -2.278 3.775 3.337 1.00 11.37 C ATOM 2568 O MET B 77 -3.348 3.720 3.911 1.00 11.44 O ATOM 2569 CB MET B 77 -1.184 1.948 4.621 1.00 16.48 C ATOM 2570 CG MET B 77 0.177 1.291 4.855 1.00 24.75 C ATOM 2571 SD MET B 77 0.066 -0.477 4.482 1.00 35.11 S ATOM 2572 CE MET B 77 0.695 -1.083 6.067 1.00 33.86 C ATOM 0 H MET B 77 -1.390 4.921 5.404 1.00 14.08 H new ATOM 0 HA MET B 77 -0.175 3.320 3.294 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.731 2.019 5.561 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.784 1.335 3.948 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.932 1.760 4.224 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.490 1.436 5.889 1.00 24.75 H new ATOM 0 HE1 MET B 77 0.713 -2.173 6.059 1.00 33.86 H new ATOM 0 HE2 MET B 77 1.705 -0.705 6.226 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.047 -0.737 6.872 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.190 4.198 2.108 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.416 4.625 1.380 1.00 11.62 C ATOM 2584 C ILE B 78 -4.471 3.518 1.451 1.00 11.45 C ATOM 2585 O ILE B 78 -4.166 2.343 1.416 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.079 4.884 -0.088 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.260 6.168 -0.219 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.370 5.013 -0.903 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -1.000 5.885 -1.038 1.00 13.67 C ATOM 0 H ILE B 78 -1.322 4.267 1.576 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.800 5.535 1.840 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.494 4.047 -0.468 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.854 6.944 -0.702 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.989 6.542 0.768 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.123 5.198 -1.949 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.944 4.090 -0.823 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.962 5.843 -0.518 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.415 6.800 -1.133 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.404 5.123 -0.537 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.282 5.531 -2.029 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.710 3.900 1.515 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.820 2.908 1.548 1.00 14.79 C ATOM 2603 C ASP B 79 -7.770 3.273 0.415 1.00 15.20 C ATOM 2604 O ASP B 79 -8.949 3.492 0.614 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.553 2.994 2.884 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.769 1.587 3.444 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.791 0.998 3.134 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -6.908 1.122 4.173 1.00 21.87 O ATOM 0 H ASP B 79 -6.009 4.875 1.547 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.441 1.892 1.433 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -6.975 3.592 3.589 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.512 3.495 2.752 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.226 3.384 -0.764 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.020 3.787 -1.959 1.00 17.14 C ATOM 2615 C ARG B 80 -7.968 5.307 -2.047 1.00 14.98 C ATOM 2616 O ARG B 80 -8.945 5.999 -1.843 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.470 3.307 -1.846 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.033 3.049 -3.245 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.595 4.351 -3.818 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.007 4.521 -3.374 1.00 33.10 N ATOM 2621 CZ ARG B 80 -12.596 5.681 -3.486 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -11.949 6.701 -3.983 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -13.834 5.823 -3.099 1.00 35.04 N ATOM 0 H ARG B 80 -6.239 3.208 -0.954 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.603 3.332 -2.857 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.517 2.396 -1.250 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.073 4.056 -1.332 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -9.251 2.660 -3.897 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -10.816 2.292 -3.199 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -9.994 5.197 -3.485 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.545 4.333 -4.907 1.00 28.43 H new ATOM 0 HE ARG B 80 -12.515 3.729 -2.981 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -10.981 6.593 -4.285 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -12.412 7.606 -4.069 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -14.341 5.028 -2.709 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -14.295 6.729 -3.186 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.802 5.809 -2.327 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.577 7.275 -2.416 1.00 11.27 C ATOM 2639 C LEU B 81 -7.815 8.006 -2.945 1.00 15.61 C ATOM 2640 O LEU B 81 -8.314 7.720 -4.015 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.361 7.529 -3.313 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.795 7.808 -4.749 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.563 8.170 -5.582 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.451 6.548 -5.326 1.00 18.72 C ATOM 0 H LEU B 81 -5.970 5.246 -2.503 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.387 7.669 -1.418 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.791 8.376 -2.930 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.699 6.663 -3.290 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.506 8.634 -4.771 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.865 8.371 -6.610 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.089 9.057 -5.163 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.857 7.340 -5.567 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.764 6.738 -6.352 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.735 5.726 -5.312 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.320 6.282 -4.725 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.292 8.973 -2.209 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.469 9.751 -2.675 1.00 12.72 C ATOM 2658 C ARG B 82 -8.944 10.942 -3.472 1.00 13.33 C ATOM 2659 O ARG B 82 -8.429 11.890 -2.921 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.278 10.243 -1.473 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.599 9.473 -1.397 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.759 10.460 -1.264 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.565 10.126 -0.048 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.968 8.903 0.184 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -13.849 7.974 -0.729 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -14.548 8.620 1.318 1.00 16.89 N ATOM 0 H ARG B 82 -7.915 9.256 -1.304 1.00 13.37 H new ATOM 0 HA ARG B 82 -10.119 9.132 -3.293 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.708 10.100 -0.555 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.472 11.312 -1.565 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.728 8.862 -2.291 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.587 8.793 -0.545 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.377 11.478 -1.191 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -13.389 10.419 -2.153 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.805 10.866 0.612 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.438 8.199 -1.635 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -14.167 7.025 -0.535 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -14.685 9.350 2.017 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.865 7.669 1.505 1.00 16.89 H new ATOM 2680 N LEU B 83 -9.030 10.883 -4.767 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.493 11.999 -5.596 1.00 13.86 C ATOM 2682 C LEU B 83 -9.469 13.173 -5.643 1.00 13.02 C ATOM 2683 O LEU B 83 -10.673 13.008 -5.636 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.243 11.500 -7.014 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.825 11.848 -7.460 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.726 11.665 -8.977 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.515 13.303 -7.101 1.00 10.58 C ATOM 0 H LEU B 83 -9.448 10.113 -5.290 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.562 12.342 -5.145 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.390 10.421 -7.057 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.966 11.948 -7.696 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.110 11.196 -6.958 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.717 11.911 -9.308 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -6.950 10.630 -9.234 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.440 12.324 -9.470 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.502 13.549 -7.420 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -7.224 13.961 -7.604 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.598 13.437 -6.022 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.937 14.361 -5.695 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.777 15.579 -5.751 1.00 12.86 C ATOM 2701 C VAL B 84 -9.045 16.619 -6.605 1.00 14.98 C ATOM 2702 O VAL B 84 -7.845 16.544 -6.756 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.947 16.110 -4.329 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -10.712 15.087 -3.488 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -8.568 16.353 -3.710 1.00 17.34 C ATOM 0 H VAL B 84 -7.933 14.538 -5.701 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.755 15.365 -6.182 1.00 12.86 H new ATOM 0 HB VAL B 84 -10.505 17.046 -4.354 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -10.833 15.467 -2.474 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.693 14.914 -3.930 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -10.156 14.150 -3.461 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -8.686 16.732 -2.695 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -8.010 15.417 -3.685 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -8.024 17.083 -4.309 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.773 17.572 -7.121 1.00 18.65 N ATOM 2716 CA PRO B 85 -9.187 18.647 -7.940 1.00 22.41 C ATOM 2717 C PRO B 85 -8.231 19.499 -7.090 1.00 25.70 C ATOM 2718 O PRO B 85 -8.483 19.758 -5.931 1.00 22.08 O ATOM 2719 CB PRO B 85 -10.401 19.434 -8.436 1.00 21.19 C ATOM 2720 CG PRO B 85 -11.549 19.082 -7.477 1.00 18.95 C ATOM 2721 CD PRO B 85 -11.225 17.681 -6.929 1.00 20.63 C ATOM 0 HA PRO B 85 -8.583 18.287 -8.773 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -10.201 20.506 -8.430 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.651 19.162 -9.462 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -11.621 19.810 -6.669 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -12.507 19.086 -7.996 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -11.500 17.586 -5.879 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.762 16.903 -7.471 1.00 20.63 H new ATOM 2729 N ALA B 86 -7.126 19.917 -7.654 1.00 31.74 N ATOM 2730 CA ALA B 86 -6.142 20.729 -6.877 1.00 39.94 C ATOM 2731 C ALA B 86 -6.735 22.108 -6.588 1.00 46.96 C ATOM 2732 O ALA B 86 -6.866 22.935 -7.469 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.856 20.885 -7.691 1.00 39.70 C ATOM 0 H ALA B 86 -6.863 19.730 -8.622 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.917 20.227 -5.936 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -4.137 21.477 -7.125 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -4.434 19.901 -7.897 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -5.080 21.388 -8.632 1.00 39.70 H new ATOM 2739 N LYS B 87 -7.096 22.362 -5.362 1.00 51.78 N ATOM 2740 CA LYS B 87 -7.682 23.688 -5.017 1.00 55.12 C ATOM 2741 C LYS B 87 -7.620 23.895 -3.502 1.00 55.82 C ATOM 2742 O LYS B 87 -8.414 24.671 -2.998 1.00 58.05 O ATOM 2743 CB LYS B 87 -9.140 23.734 -5.479 1.00 52.96 C ATOM 2744 CG LYS B 87 -9.843 22.433 -5.084 1.00 55.49 C ATOM 2745 CD LYS B 87 -10.814 22.706 -3.935 1.00 56.64 C ATOM 2746 CE LYS B 87 -10.756 21.554 -2.930 1.00 58.91 C ATOM 2747 NZ LYS B 87 -10.029 21.998 -1.707 1.00 58.16 N ATOM 2748 OXT LYS B 87 -6.779 23.274 -2.873 1.00 57.66 O ATOM 0 H LYS B 87 -7.011 21.709 -4.583 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.117 24.477 -5.514 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -9.649 24.586 -5.028 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -9.186 23.871 -6.559 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -10.381 22.024 -5.939 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -9.108 21.687 -4.783 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -10.557 23.644 -3.443 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -11.828 22.815 -4.320 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -11.765 21.233 -2.670 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -10.252 20.695 -3.374 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -10.048 21.238 -0.997 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -9.043 22.220 -1.951 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -10.489 22.846 -1.319 1.00 58.16 H new