USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 1644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN : amide:sc= -0.642 X(o=-0.65,f=-0.9) USER MOD Set 1.2: B 102 GLN : amide:sc=-0.00963 X(o=-0.65,f=-1.1) USER MOD Set 2.1: A 78 SER OG : rot 92:sc= 1.31 USER MOD Set 2.2: B 89 MET CE :methyl 160:sc= -0.265 (180deg=-0.952) USER MOD Set 3.1: A 89 MET CE :methyl 158:sc= -0.32 (180deg=-1.08) USER MOD Set 3.2: B 78 SER OG : rot 92:sc= 1.26 USER MOD Set 4.1: B 44 ASN : amide:sc= -0.737 K(o=-0.73,f=-2.5!) USER MOD Set 4.2: B 52 LYS NZ :NH3+ -138:sc= 0.00231 (180deg=-0.0521) USER MOD Set 5.1: A 102 GLN : amide:sc=-0.00748 K(o=-0.72,f=-1.3) USER MOD Set 5.2: B 22 GLN : amide:sc= -0.714 X(o=-0.72,f=-1) USER MOD Set 6.1: A 44 ASN : amide:sc= -0.683 K(o=-0.67,f=-2.5) USER MOD Set 6.2: A 52 LYS NZ :NH3+ -139:sc= 0.00863 (180deg=-0.0609) USER MOD Set 7.1: A 13 CYS SG : rot -54:sc= -5.14 USER MOD Set 7.2: B 13 CYS SG : rot 94:sc= -4.57 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.117 (180deg=-0.642) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= -0.0604 (180deg=-0.321) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -134:sc= 1.43 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot -126:sc= 1.24 USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.15) USER MOD Single : A 24 TYR OH : rot -130:sc= -4.51! USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.264 (180deg=-0.956) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0614 USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= 1.03 (180deg=0.528) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -89:sc= 1.22 USER MOD Single : A 43 MET CE :methyl -135:sc= -1.3 (180deg=-1.9) USER MOD Single : A 45 THR OG1 : rot -75:sc= -2.71! USER MOD Single : A 51 THR OG1 : rot 142:sc= -0.0724 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.649 F(o=-0.12,f=0.65) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -178:sc= -0.835 (180deg=-0.85) USER MOD Single : A 64 MET CE :methyl -161:sc= -0.105 (180deg=-0.791) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.0141 (180deg=-0.14) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0405) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.103 K(o=-0.1,f=-0.93) USER MOD Single : A 71 SER OG : rot 17:sc= 0.732 USER MOD Single : A 74 GLN : amide:sc= -2.14! C(o=-2.1!,f=-7.2!) USER MOD Single : A 82 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2!) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 HIS :FLIP no HE2:sc= -0.44 F(o=-1.4,f=-0.44) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= -0.033 (180deg=-0.333) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 168:sc= -0.013 (180deg=-0.176) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 159:sc= -0.177 (180deg=-0.673) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 166:sc= -0.045 (180deg=-0.308) USER MOD Single : B 5 SER OG : rot 180:sc= 0.0345 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -179:sc= 1.37 USER MOD Single : B 10 THR OG1 : rot -170:sc= 0 USER MOD Single : B 16 SER OG : rot -129:sc= 1.24 USER MOD Single : B 23 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.17) USER MOD Single : B 24 TYR OH : rot -130:sc= -4.57! USER MOD Single : B 27 LYS NZ :NH3+ -155:sc= -0.236 (180deg=-0.986) USER MOD Single : B 30 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 69:sc= 1.13 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0644 USER MOD Single : B 36 LYS NZ :NH3+ -149:sc= 1.05 (180deg=0.553) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot -83:sc= 1.36 USER MOD Single : B 43 MET CE :methyl -135:sc= -1.31 (180deg=-1.93) USER MOD Single : B 45 THR OG1 : rot -79:sc= -2.44! USER MOD Single : B 51 THR OG1 : rot 141:sc= -0.0446 USER MOD Single : B 53 ASN :FLIP amide:sc= 0.654 F(o=-0.15,f=0.65) USER MOD Single : B 54 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 MET CE :methyl -177:sc= -0.767 (180deg=-0.814) USER MOD Single : B 64 MET CE :methyl -162:sc= -0.0988 (180deg=-0.775) USER MOD Single : B 65 LYS NZ :NH3+ -168:sc= -0.0165 (180deg=-0.186) USER MOD Single : B 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0393) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.96) USER MOD Single : B 71 SER OG : rot 13:sc= 0.673 USER MOD Single : B 74 GLN : amide:sc= -2.2! C(o=-2.2!,f=-7!) USER MOD Single : B 82 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1.7!) USER MOD Single : B 91 CYS SG : rot 180:sc= 0 USER MOD Single : B 92 HIS :FLIP no HE2:sc= -0.447 F(o=-1.4,f=-0.45) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD Single : B 97 LYS NZ :NH3+ -160:sc= -0.0715 (180deg=-0.36) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD Single : B 103 LYS NZ :NH3+ 168:sc= -0.0151 (180deg=-0.163) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.472 15.083 15.786 1.00 7.63 N ATOM 2 CA MET A 1 -18.761 16.518 16.011 1.00 7.05 C ATOM 3 C MET A 1 -17.666 17.388 15.404 1.00 6.84 C ATOM 4 O MET A 1 -17.893 18.082 14.416 1.00 7.12 O ATOM 5 CB MET A 1 -18.885 16.814 17.510 1.00 7.11 C ATOM 6 CG MET A 1 -19.214 18.267 17.820 1.00 7.39 C ATOM 7 SD MET A 1 -19.267 18.615 19.591 1.00 7.66 S ATOM 8 CE MET A 1 -17.572 18.270 20.064 1.00 7.91 C ATOM 0 H1 MET A 1 -19.229 14.506 16.206 1.00 7.63 H new ATOM 0 H2 MET A 1 -18.421 14.895 14.764 1.00 7.63 H new ATOM 0 H3 MET A 1 -17.563 14.838 16.229 1.00 7.63 H new ATOM 0 HA MET A 1 -19.708 16.751 15.524 1.00 7.05 H new ATOM 0 HB2 MET A 1 -19.660 16.176 17.935 1.00 7.11 H new ATOM 0 HB3 MET A 1 -17.949 16.549 18.003 1.00 7.11 H new ATOM 0 HG2 MET A 1 -18.470 18.911 17.351 1.00 7.39 H new ATOM 0 HG3 MET A 1 -20.178 18.518 17.377 1.00 7.39 H new ATOM 0 HE1 MET A 1 -17.346 18.776 21.003 1.00 7.91 H new ATOM 0 HE2 MET A 1 -17.441 17.195 20.190 1.00 7.91 H new ATOM 0 HE3 MET A 1 -16.897 18.629 19.287 1.00 7.91 H new ATOM 20 N ALA A 2 -16.478 17.342 15.996 1.00 6.67 N ATOM 21 CA ALA A 2 -15.365 18.160 15.542 1.00 6.74 C ATOM 22 C ALA A 2 -14.041 17.520 15.926 1.00 6.14 C ATOM 23 O ALA A 2 -14.018 16.523 16.654 1.00 6.28 O ATOM 24 CB ALA A 2 -15.464 19.559 16.130 1.00 7.31 C ATOM 0 H ALA A 2 -16.263 16.744 16.794 1.00 6.67 H new ATOM 0 HA ALA A 2 -15.411 18.233 14.455 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -14.624 20.160 15.782 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -16.398 20.022 15.812 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -15.440 19.499 17.218 1.00 7.31 H new ATOM 30 N LYS A 3 -12.949 18.102 15.434 1.00 5.79 N ATOM 31 CA LYS A 3 -11.599 17.629 15.729 1.00 5.52 C ATOM 32 C LYS A 3 -11.435 16.166 15.325 1.00 5.00 C ATOM 33 O LYS A 3 -10.947 15.342 16.102 1.00 5.14 O ATOM 34 CB LYS A 3 -11.277 17.807 17.215 1.00 6.00 C ATOM 35 CG LYS A 3 -11.341 19.251 17.688 1.00 6.27 C ATOM 36 CD LYS A 3 -10.299 20.117 16.999 1.00 6.96 C ATOM 37 CE LYS A 3 -10.347 21.551 17.501 1.00 7.45 C ATOM 38 NZ LYS A 3 -10.118 21.637 18.969 1.00 7.92 N ATOM 0 H LYS A 3 -12.976 18.915 14.819 1.00 5.79 H new ATOM 0 HA LYS A 3 -10.898 18.228 15.147 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -11.975 17.211 17.802 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -10.279 17.414 17.411 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -12.335 19.654 17.493 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -11.188 19.287 18.767 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -9.306 19.702 17.174 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -10.466 20.102 15.922 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -9.593 22.142 16.981 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -11.316 21.987 17.259 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -9.906 22.621 19.230 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -10.971 21.321 19.473 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -9.316 21.029 19.231 1.00 7.92 H new ATOM 52 N ILE A 4 -11.841 15.853 14.104 1.00 4.74 N ATOM 53 CA ILE A 4 -11.780 14.486 13.603 1.00 4.41 C ATOM 54 C ILE A 4 -10.454 14.212 12.899 1.00 3.66 C ATOM 55 O ILE A 4 -10.417 13.649 11.805 1.00 3.90 O ATOM 56 CB ILE A 4 -12.955 14.178 12.649 1.00 5.14 C ATOM 57 CG1 ILE A 4 -13.032 15.217 11.522 1.00 5.77 C ATOM 58 CG2 ILE A 4 -14.262 14.131 13.430 1.00 5.58 C ATOM 59 CD1 ILE A 4 -14.132 14.950 10.517 1.00 6.53 C ATOM 0 H ILE A 4 -12.218 16.529 13.439 1.00 4.74 H new ATOM 0 HA ILE A 4 -11.858 13.828 14.468 1.00 4.41 H new ATOM 0 HB ILE A 4 -12.785 13.203 12.192 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -13.185 16.203 11.960 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -12.075 15.245 11.000 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -15.085 13.913 12.749 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -14.204 13.352 14.190 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -14.434 15.094 13.910 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -14.122 15.727 9.752 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -13.970 13.979 10.050 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -15.097 14.952 11.024 1.00 6.53 H new ATOM 71 N SER A 5 -9.364 14.596 13.549 1.00 3.24 N ATOM 72 CA SER A 5 -8.027 14.388 13.010 1.00 2.93 C ATOM 73 C SER A 5 -7.507 12.997 13.368 1.00 2.01 C ATOM 74 O SER A 5 -6.299 12.766 13.446 1.00 2.25 O ATOM 75 CB SER A 5 -7.085 15.471 13.538 1.00 3.70 C ATOM 76 OG SER A 5 -7.281 15.678 14.930 1.00 4.46 O ATOM 0 H SER A 5 -9.381 15.057 14.459 1.00 3.24 H new ATOM 0 HA SER A 5 -8.071 14.456 11.923 1.00 2.93 H new ATOM 0 HB2 SER A 5 -6.051 15.182 13.351 1.00 3.70 H new ATOM 0 HB3 SER A 5 -7.258 16.403 13.000 1.00 3.70 H new ATOM 0 HG SER A 5 -6.667 16.373 15.247 1.00 4.46 H new ATOM 82 N SER A 6 -8.434 12.079 13.586 1.00 1.51 N ATOM 83 CA SER A 6 -8.099 10.706 13.906 1.00 1.03 C ATOM 84 C SER A 6 -7.903 9.915 12.620 1.00 0.82 C ATOM 85 O SER A 6 -8.710 10.013 11.695 1.00 0.85 O ATOM 86 CB SER A 6 -9.219 10.091 14.744 1.00 1.67 C ATOM 87 OG SER A 6 -9.530 10.927 15.848 1.00 2.25 O ATOM 0 H SER A 6 -9.436 12.266 13.546 1.00 1.51 H new ATOM 0 HA SER A 6 -7.172 10.678 14.479 1.00 1.03 H new ATOM 0 HB2 SER A 6 -10.106 9.948 14.127 1.00 1.67 H new ATOM 0 HB3 SER A 6 -8.916 9.106 15.100 1.00 1.67 H new ATOM 0 HG SER A 6 -10.250 10.520 16.374 1.00 2.25 H new ATOM 93 N PRO A 7 -6.821 9.135 12.531 1.00 0.69 N ATOM 94 CA PRO A 7 -6.513 8.356 11.338 1.00 0.54 C ATOM 95 C PRO A 7 -7.258 7.029 11.324 1.00 0.44 C ATOM 96 O PRO A 7 -7.995 6.703 12.255 1.00 0.56 O ATOM 97 CB PRO A 7 -5.018 8.119 11.495 1.00 0.61 C ATOM 98 CG PRO A 7 -4.868 7.922 12.959 1.00 0.75 C ATOM 99 CD PRO A 7 -5.808 8.923 13.589 1.00 0.82 C ATOM 0 HA PRO A 7 -6.799 8.856 10.413 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.686 7.246 10.933 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.434 8.968 11.139 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -5.126 6.903 13.248 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.839 8.093 13.276 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -6.255 8.537 14.505 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -5.296 9.849 13.850 1.00 0.82 H new ATOM 107 N THR A 8 -7.050 6.268 10.273 1.00 0.34 N ATOM 108 CA THR A 8 -7.653 4.961 10.144 1.00 0.27 C ATOM 109 C THR A 8 -6.562 3.944 9.916 1.00 0.28 C ATOM 110 O THR A 8 -5.400 4.318 9.782 1.00 0.35 O ATOM 111 CB THR A 8 -8.624 4.912 8.963 1.00 0.28 C ATOM 112 OG1 THR A 8 -7.887 5.020 7.740 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.632 6.036 9.063 1.00 0.32 C ATOM 0 H THR A 8 -6.460 6.537 9.486 1.00 0.34 H new ATOM 0 HA THR A 8 -8.207 4.744 11.057 1.00 0.27 H new ATOM 0 HB THR A 8 -9.163 3.964 8.981 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.327 5.666 7.149 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.316 5.988 8.216 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.196 5.938 9.991 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.111 6.994 9.055 1.00 0.32 H new ATOM 121 N GLU A 9 -6.931 2.680 9.842 1.00 0.28 N ATOM 122 CA GLU A 9 -5.952 1.622 9.638 1.00 0.33 C ATOM 123 C GLU A 9 -5.159 1.874 8.356 1.00 0.36 C ATOM 124 O GLU A 9 -3.941 1.982 8.392 1.00 0.52 O ATOM 125 CB GLU A 9 -6.633 0.255 9.585 1.00 0.40 C ATOM 126 CG GLU A 9 -5.648 -0.902 9.566 1.00 0.56 C ATOM 127 CD GLU A 9 -4.940 -1.086 10.891 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.627 -1.258 11.919 1.00 2.48 O ATOM 129 OE2 GLU A 9 -3.696 -1.058 10.914 1.00 2.47 O ATOM 0 H GLU A 9 -7.896 2.358 9.919 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.262 1.625 10.482 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.291 0.150 10.448 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.262 0.203 8.696 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.177 -1.820 9.310 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.908 -0.732 8.784 1.00 0.56 H new ATOM 136 N THR A 10 -5.859 2.033 7.242 1.00 0.26 N ATOM 137 CA THR A 10 -5.210 2.242 5.955 1.00 0.27 C ATOM 138 C THR A 10 -4.461 3.565 5.923 1.00 0.27 C ATOM 139 O THR A 10 -3.363 3.632 5.390 1.00 0.31 O ATOM 140 CB THR A 10 -6.213 2.171 4.774 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.674 2.810 3.611 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.546 2.804 5.147 1.00 0.25 C ATOM 0 H THR A 10 -6.878 2.021 7.203 1.00 0.26 H new ATOM 0 HA THR A 10 -4.494 1.429 5.834 1.00 0.27 H new ATOM 0 HB THR A 10 -6.384 1.118 4.548 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.374 2.895 2.931 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.229 2.740 4.300 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.974 2.276 5.999 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.391 3.851 5.409 1.00 0.25 H new ATOM 150 N GLU A 11 -5.031 4.600 6.517 1.00 0.25 N ATOM 151 CA GLU A 11 -4.418 5.920 6.482 1.00 0.27 C ATOM 152 C GLU A 11 -3.151 5.981 7.315 1.00 0.30 C ATOM 153 O GLU A 11 -2.154 6.559 6.891 1.00 0.32 O ATOM 154 CB GLU A 11 -5.408 6.969 6.917 1.00 0.29 C ATOM 155 CG GLU A 11 -6.367 7.300 5.808 1.00 0.41 C ATOM 156 CD GLU A 11 -5.958 8.521 5.011 1.00 1.11 C ATOM 157 OE1 GLU A 11 -4.742 8.730 4.817 1.00 1.71 O ATOM 158 OE2 GLU A 11 -6.847 9.279 4.577 1.00 1.85 O ATOM 0 H GLU A 11 -5.913 4.554 7.027 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.127 6.124 5.451 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.961 6.613 7.786 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.877 7.870 7.224 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.445 6.445 5.136 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.358 7.465 6.230 1.00 0.41 H new ATOM 165 N ARG A 12 -3.177 5.365 8.487 1.00 0.35 N ATOM 166 CA ARG A 12 -1.989 5.316 9.327 1.00 0.42 C ATOM 167 C ARG A 12 -0.956 4.406 8.685 1.00 0.43 C ATOM 168 O ARG A 12 0.241 4.650 8.764 1.00 0.47 O ATOM 169 CB ARG A 12 -2.328 4.864 10.760 1.00 0.48 C ATOM 170 CG ARG A 12 -2.863 3.441 10.904 1.00 0.49 C ATOM 171 CD ARG A 12 -1.767 2.396 10.794 1.00 0.56 C ATOM 172 NE ARG A 12 -2.162 1.131 11.403 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.786 0.734 12.617 1.00 1.35 C ATOM 174 NH1 ARG A 12 -1.001 1.500 13.366 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.213 -0.430 13.080 1.00 1.95 N ATOM 0 H ARG A 12 -3.996 4.897 8.875 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.573 6.320 9.408 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.430 4.957 11.371 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -3.066 5.552 11.172 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.363 3.339 11.867 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.614 3.259 10.135 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.524 2.234 9.744 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.863 2.765 11.277 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.766 0.510 10.864 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -0.681 2.402 13.013 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -0.719 1.187 14.295 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -2.824 -1.013 12.508 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.931 -0.744 14.009 1.00 1.95 H new ATOM 189 N CYS A 13 -1.451 3.366 8.033 1.00 0.42 N ATOM 190 CA CYS A 13 -0.610 2.410 7.343 1.00 0.44 C ATOM 191 C CYS A 13 0.023 3.060 6.129 1.00 0.30 C ATOM 192 O CYS A 13 1.153 2.753 5.756 1.00 0.29 O ATOM 193 CB CYS A 13 -1.456 1.203 6.959 1.00 0.57 C ATOM 194 SG CYS A 13 -1.716 0.054 8.324 1.00 2.16 S ATOM 0 H CYS A 13 -2.449 3.164 7.969 1.00 0.42 H new ATOM 0 HA CYS A 13 0.199 2.076 7.992 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.423 1.547 6.593 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -0.973 0.676 6.136 1.00 0.57 H new ATOM 0 HG CYS A 13 -0.567 -0.299 8.819 1.00 2.16 H new ATOM 200 N ILE A 14 -0.713 3.981 5.541 1.00 0.26 N ATOM 201 CA ILE A 14 -0.211 4.797 4.461 1.00 0.24 C ATOM 202 C ILE A 14 0.953 5.659 4.941 1.00 0.21 C ATOM 203 O ILE A 14 1.968 5.799 4.256 1.00 0.23 O ATOM 204 CB ILE A 14 -1.340 5.691 3.905 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.234 4.902 2.946 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.784 6.932 3.230 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.506 5.631 2.597 1.00 0.27 C ATOM 0 H ILE A 14 -1.678 4.183 5.801 1.00 0.26 H new ATOM 0 HA ILE A 14 0.147 4.142 3.666 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.948 6.020 4.748 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.680 4.690 2.032 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.484 3.942 3.397 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.606 7.539 2.850 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.208 7.512 3.952 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.138 6.638 2.403 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.099 5.022 1.914 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.078 5.819 3.505 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.262 6.580 2.119 1.00 0.27 H new ATOM 219 N GLU A 15 0.809 6.199 6.144 1.00 0.24 N ATOM 220 CA GLU A 15 1.816 7.068 6.719 1.00 0.28 C ATOM 221 C GLU A 15 2.983 6.242 7.175 1.00 0.30 C ATOM 222 O GLU A 15 4.109 6.714 7.255 1.00 0.34 O ATOM 223 CB GLU A 15 1.256 7.817 7.909 1.00 0.32 C ATOM 224 CG GLU A 15 -0.014 8.588 7.592 1.00 0.33 C ATOM 225 CD GLU A 15 -0.491 9.419 8.761 1.00 0.38 C ATOM 226 OE1 GLU A 15 -1.043 8.846 9.720 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.300 10.657 8.730 1.00 1.26 O ATOM 0 H GLU A 15 -0.004 6.046 6.741 1.00 0.24 H new ATOM 0 HA GLU A 15 2.130 7.785 5.960 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.052 7.108 8.712 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.010 8.511 8.280 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.163 9.239 6.736 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.798 7.888 7.303 1.00 0.33 H new ATOM 234 N SER A 16 2.687 5.005 7.496 1.00 0.31 N ATOM 235 CA SER A 16 3.700 4.065 7.866 1.00 0.38 C ATOM 236 C SER A 16 4.584 3.745 6.675 1.00 0.29 C ATOM 237 O SER A 16 5.797 3.653 6.808 1.00 0.28 O ATOM 238 CB SER A 16 3.052 2.810 8.418 1.00 0.54 C ATOM 239 OG SER A 16 2.437 3.052 9.672 1.00 0.97 O ATOM 0 H SER A 16 1.739 4.630 7.506 1.00 0.31 H new ATOM 0 HA SER A 16 4.331 4.500 8.641 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.308 2.442 7.711 1.00 0.54 H new ATOM 0 HB3 SER A 16 3.804 2.028 8.525 1.00 0.54 H new ATOM 0 HG SER A 16 2.775 2.411 10.331 1.00 0.97 H new ATOM 245 N LEU A 17 3.976 3.597 5.506 1.00 0.27 N ATOM 246 CA LEU A 17 4.743 3.416 4.285 1.00 0.28 C ATOM 247 C LEU A 17 5.561 4.667 4.023 1.00 0.27 C ATOM 248 O LEU A 17 6.684 4.593 3.547 1.00 0.32 O ATOM 249 CB LEU A 17 3.824 3.123 3.104 1.00 0.29 C ATOM 250 CG LEU A 17 2.816 2.005 3.355 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.880 1.845 2.171 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.525 0.691 3.661 1.00 0.46 C ATOM 0 H LEU A 17 2.964 3.599 5.379 1.00 0.27 H new ATOM 0 HA LEU A 17 5.410 2.562 4.406 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.283 4.033 2.845 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.434 2.859 2.240 1.00 0.29 H new ATOM 0 HG LEU A 17 2.220 2.280 4.225 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.171 1.042 2.374 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.337 2.776 2.008 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.459 1.601 1.280 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.785 -0.090 3.836 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.154 0.412 2.816 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.144 0.810 4.550 1.00 0.46 H new ATOM 264 N ILE A 18 4.982 5.816 4.358 1.00 0.27 N ATOM 265 CA ILE A 18 5.702 7.082 4.324 1.00 0.30 C ATOM 266 C ILE A 18 6.923 7.023 5.241 1.00 0.28 C ATOM 267 O ILE A 18 8.028 7.386 4.842 1.00 0.30 O ATOM 268 CB ILE A 18 4.791 8.265 4.746 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.735 8.528 3.670 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.614 9.519 5.015 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.781 9.654 4.010 1.00 1.37 C ATOM 0 H ILE A 18 4.010 5.895 4.658 1.00 0.27 H new ATOM 0 HA ILE A 18 6.026 7.249 3.297 1.00 0.30 H new ATOM 0 HB ILE A 18 4.284 7.995 5.672 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.237 8.761 2.731 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.161 7.616 3.507 1.00 0.63 H new ATOM 0 HG21 ILE A 18 4.951 10.333 5.309 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.325 9.322 5.817 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.155 9.800 4.111 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.063 9.780 3.200 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.250 9.415 4.932 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.342 10.579 4.144 1.00 1.37 H new ATOM 283 N ALA A 19 6.708 6.539 6.457 1.00 0.25 N ATOM 284 CA ALA A 19 7.755 6.443 7.465 1.00 0.25 C ATOM 285 C ALA A 19 8.865 5.491 7.032 1.00 0.23 C ATOM 286 O ALA A 19 10.046 5.836 7.083 1.00 0.28 O ATOM 287 CB ALA A 19 7.161 5.989 8.790 1.00 0.28 C ATOM 0 H ALA A 19 5.799 6.201 6.773 1.00 0.25 H new ATOM 0 HA ALA A 19 8.196 7.433 7.586 1.00 0.25 H new ATOM 0 HB1 ALA A 19 7.951 5.920 9.538 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.412 6.709 9.119 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.694 5.012 8.664 1.00 0.28 H new ATOM 293 N VAL A 20 8.482 4.295 6.604 1.00 0.20 N ATOM 294 CA VAL A 20 9.453 3.290 6.208 1.00 0.22 C ATOM 295 C VAL A 20 10.160 3.715 4.938 1.00 0.23 C ATOM 296 O VAL A 20 11.376 3.600 4.828 1.00 0.27 O ATOM 297 CB VAL A 20 8.808 1.897 6.020 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.889 1.602 7.168 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.053 1.769 4.706 1.00 0.87 C ATOM 0 H VAL A 20 7.509 4.000 6.523 1.00 0.20 H new ATOM 0 HA VAL A 20 10.180 3.206 7.016 1.00 0.22 H new ATOM 0 HB VAL A 20 9.620 1.170 5.993 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.438 0.619 7.030 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.455 1.613 8.099 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.105 2.358 7.210 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.622 0.771 4.630 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.256 2.512 4.670 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.739 1.933 3.875 1.00 0.87 H new ATOM 309 N PHE A 21 9.402 4.231 3.986 1.00 0.23 N ATOM 310 CA PHE A 21 9.996 4.687 2.737 1.00 0.25 C ATOM 311 C PHE A 21 10.999 5.800 3.006 1.00 0.29 C ATOM 312 O PHE A 21 12.049 5.870 2.373 1.00 0.35 O ATOM 313 CB PHE A 21 8.933 5.179 1.763 1.00 0.26 C ATOM 314 CG PHE A 21 9.493 5.579 0.430 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.903 4.618 -0.475 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.611 6.915 0.085 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.419 4.980 -1.701 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.125 7.282 -1.139 1.00 2.48 C ATOM 319 CZ PHE A 21 10.531 6.311 -2.034 1.00 2.40 C ATOM 0 H PHE A 21 8.390 4.345 4.049 1.00 0.23 H new ATOM 0 HA PHE A 21 10.508 3.838 2.284 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.191 4.394 1.617 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.413 6.031 2.202 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.818 3.572 -0.219 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.297 7.677 0.783 1.00 1.85 H new ATOM 0 HE1 PHE A 21 10.735 4.220 -2.400 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.210 8.327 -1.399 1.00 2.48 H new ATOM 0 HZ PHE A 21 10.936 6.596 -2.994 1.00 2.40 H new ATOM 329 N GLN A 22 10.674 6.643 3.972 1.00 0.30 N ATOM 330 CA GLN A 22 11.505 7.775 4.329 1.00 0.37 C ATOM 331 C GLN A 22 12.854 7.288 4.828 1.00 0.36 C ATOM 332 O GLN A 22 13.895 7.782 4.414 1.00 0.44 O ATOM 333 CB GLN A 22 10.795 8.590 5.416 1.00 0.47 C ATOM 334 CG GLN A 22 11.198 10.054 5.504 1.00 1.12 C ATOM 335 CD GLN A 22 12.629 10.282 5.956 1.00 1.98 C ATOM 336 OE1 GLN A 22 13.538 10.419 5.141 1.00 2.68 O ATOM 337 NE2 GLN A 22 12.840 10.313 7.263 1.00 2.66 N ATOM 0 H GLN A 22 9.824 6.559 4.530 1.00 0.30 H new ATOM 0 HA GLN A 22 11.669 8.405 3.455 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.720 8.537 5.242 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.985 8.120 6.381 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.060 10.516 4.526 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.526 10.563 6.195 1.00 1.12 H new ATOM 0 HE21 GLN A 22 12.059 10.195 7.909 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.783 10.455 7.624 1.00 2.66 H new ATOM 346 N LYS A 23 12.837 6.295 5.696 1.00 0.35 N ATOM 347 CA LYS A 23 14.065 5.846 6.318 1.00 0.39 C ATOM 348 C LYS A 23 14.982 5.101 5.340 1.00 0.40 C ATOM 349 O LYS A 23 16.200 5.142 5.504 1.00 0.49 O ATOM 350 CB LYS A 23 13.774 5.003 7.561 1.00 0.41 C ATOM 351 CG LYS A 23 12.941 3.782 7.300 1.00 0.42 C ATOM 352 CD LYS A 23 12.433 3.199 8.597 1.00 0.63 C ATOM 353 CE LYS A 23 12.350 1.695 8.507 1.00 0.63 C ATOM 354 NZ LYS A 23 11.853 1.065 9.757 1.00 0.91 N ATOM 0 H LYS A 23 11.998 5.790 5.983 1.00 0.35 H new ATOM 0 HA LYS A 23 14.606 6.739 6.631 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.720 4.694 8.006 1.00 0.41 H new ATOM 0 HB3 LYS A 23 13.264 5.626 8.296 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.100 4.040 6.657 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.533 3.038 6.768 1.00 0.42 H new ATOM 0 HD2 LYS A 23 13.096 3.484 9.414 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.450 3.610 8.826 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.692 1.422 7.682 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.337 1.296 8.273 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.577 0.081 9.564 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.605 1.079 10.475 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 11.029 1.593 10.108 1.00 0.91 H new ATOM 368 N TYR A 24 14.424 4.430 4.324 1.00 0.36 N ATOM 369 CA TYR A 24 15.276 3.763 3.331 1.00 0.39 C ATOM 370 C TYR A 24 15.677 4.740 2.228 1.00 0.34 C ATOM 371 O TYR A 24 16.854 4.907 1.928 1.00 0.40 O ATOM 372 CB TYR A 24 14.612 2.539 2.669 1.00 0.46 C ATOM 373 CG TYR A 24 13.556 1.812 3.469 1.00 0.86 C ATOM 374 CD1 TYR A 24 13.757 1.449 4.788 1.00 1.67 C ATOM 375 CD2 TYR A 24 12.359 1.444 2.865 1.00 1.52 C ATOM 376 CE1 TYR A 24 12.797 0.742 5.482 1.00 1.99 C ATOM 377 CE2 TYR A 24 11.395 0.745 3.555 1.00 1.83 C ATOM 378 CZ TYR A 24 11.619 0.393 4.861 1.00 1.72 C ATOM 379 OH TYR A 24 10.663 -0.312 5.551 1.00 2.15 O ATOM 0 H TYR A 24 13.420 4.335 4.170 1.00 0.36 H new ATOM 0 HA TYR A 24 16.147 3.413 3.885 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.162 2.864 1.731 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.396 1.825 2.415 1.00 0.46 H new ATOM 0 HD1 TYR A 24 14.678 1.723 5.282 1.00 1.67 H new ATOM 0 HD2 TYR A 24 12.182 1.712 1.834 1.00 1.52 H new ATOM 0 HE1 TYR A 24 12.969 0.463 6.511 1.00 1.99 H new ATOM 0 HE2 TYR A 24 10.468 0.475 3.071 1.00 1.83 H new ATOM 0 HH TYR A 24 10.379 -1.085 5.019 1.00 2.15 H new ATOM 389 N ALA A 25 14.683 5.391 1.641 1.00 0.29 N ATOM 390 CA ALA A 25 14.892 6.247 0.478 1.00 0.34 C ATOM 391 C ALA A 25 15.502 7.586 0.866 1.00 0.47 C ATOM 392 O ALA A 25 16.065 8.298 0.032 1.00 0.58 O ATOM 393 CB ALA A 25 13.568 6.460 -0.232 1.00 0.37 C ATOM 0 H ALA A 25 13.713 5.343 1.954 1.00 0.29 H new ATOM 0 HA ALA A 25 15.596 5.751 -0.190 1.00 0.34 H new ATOM 0 HB1 ALA A 25 13.720 7.099 -1.102 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.169 5.498 -0.554 1.00 0.37 H new ATOM 0 HB3 ALA A 25 12.862 6.936 0.449 1.00 0.37 H new ATOM 399 N GLY A 26 15.388 7.926 2.137 1.00 0.49 N ATOM 400 CA GLY A 26 15.900 9.196 2.614 1.00 0.64 C ATOM 401 C GLY A 26 17.378 9.146 2.939 1.00 0.75 C ATOM 402 O GLY A 26 17.931 10.097 3.493 1.00 0.96 O ATOM 0 H GLY A 26 14.949 7.345 2.852 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.724 9.961 1.858 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.346 9.495 3.504 1.00 0.64 H new ATOM 406 N LYS A 27 18.024 8.041 2.596 1.00 0.69 N ATOM 407 CA LYS A 27 19.438 7.865 2.880 1.00 0.82 C ATOM 408 C LYS A 27 20.293 8.572 1.840 1.00 0.95 C ATOM 409 O LYS A 27 21.112 9.429 2.176 1.00 1.11 O ATOM 410 CB LYS A 27 19.776 6.379 2.936 1.00 0.77 C ATOM 411 CG LYS A 27 19.056 5.664 4.060 1.00 0.81 C ATOM 412 CD LYS A 27 19.358 4.178 4.091 1.00 0.85 C ATOM 413 CE LYS A 27 18.863 3.569 5.388 1.00 1.11 C ATOM 414 NZ LYS A 27 19.432 4.247 6.583 1.00 1.72 N ATOM 0 H LYS A 27 17.588 7.251 2.119 1.00 0.69 H new ATOM 0 HA LYS A 27 19.656 8.312 3.850 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.513 5.914 1.986 1.00 0.77 H new ATOM 0 HB3 LYS A 27 20.852 6.259 3.063 1.00 0.77 H new ATOM 0 HG2 LYS A 27 19.343 6.110 5.012 1.00 0.81 H new ATOM 0 HG3 LYS A 27 17.982 5.811 3.950 1.00 0.81 H new ATOM 0 HD2 LYS A 27 18.881 3.685 3.244 1.00 0.85 H new ATOM 0 HD3 LYS A 27 20.431 4.016 3.991 1.00 0.85 H new ATOM 0 HE2 LYS A 27 17.775 3.628 5.423 1.00 1.11 H new ATOM 0 HE3 LYS A 27 19.125 2.511 5.414 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 19.668 3.537 7.306 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 20.293 4.764 6.312 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 18.734 4.915 6.968 1.00 1.72 H new ATOM 428 N ASP A 28 20.096 8.222 0.577 1.00 1.00 N ATOM 429 CA ASP A 28 20.797 8.891 -0.510 1.00 1.19 C ATOM 430 C ASP A 28 20.226 10.286 -0.716 1.00 1.26 C ATOM 431 O ASP A 28 20.904 11.193 -1.207 1.00 1.58 O ATOM 432 CB ASP A 28 20.685 8.076 -1.797 1.00 1.33 C ATOM 433 CG ASP A 28 21.621 8.568 -2.881 1.00 1.65 C ATOM 434 OD1 ASP A 28 22.836 8.277 -2.798 1.00 2.16 O ATOM 435 OD2 ASP A 28 21.152 9.233 -3.822 1.00 2.08 O ATOM 0 H ASP A 28 19.460 7.482 0.280 1.00 1.00 H new ATOM 0 HA ASP A 28 21.851 8.977 -0.248 1.00 1.19 H new ATOM 0 HB2 ASP A 28 20.903 7.030 -1.581 1.00 1.33 H new ATOM 0 HB3 ASP A 28 19.659 8.119 -2.161 1.00 1.33 H new ATOM 440 N GLY A 29 18.969 10.443 -0.315 1.00 1.15 N ATOM 441 CA GLY A 29 18.336 11.746 -0.308 1.00 1.32 C ATOM 442 C GLY A 29 18.003 12.259 -1.693 1.00 1.51 C ATOM 443 O GLY A 29 17.767 13.454 -1.871 1.00 1.64 O ATOM 0 H GLY A 29 18.373 9.681 0.008 1.00 1.15 H new ATOM 0 HA2 GLY A 29 17.421 11.694 0.282 1.00 1.32 H new ATOM 0 HA3 GLY A 29 18.995 12.459 0.187 1.00 1.32 H new ATOM 447 N TYR A 30 17.980 11.364 -2.672 1.00 2.07 N ATOM 448 CA TYR A 30 17.669 11.748 -4.041 1.00 2.80 C ATOM 449 C TYR A 30 16.169 11.975 -4.195 1.00 2.61 C ATOM 450 O TYR A 30 15.437 11.082 -4.629 1.00 3.02 O ATOM 451 CB TYR A 30 18.160 10.678 -5.023 1.00 3.68 C ATOM 452 CG TYR A 30 18.041 11.085 -6.476 1.00 4.52 C ATOM 453 CD1 TYR A 30 18.907 12.021 -7.027 1.00 5.12 C ATOM 454 CD2 TYR A 30 17.062 10.537 -7.295 1.00 5.11 C ATOM 455 CE1 TYR A 30 18.802 12.398 -8.352 1.00 6.09 C ATOM 456 CE2 TYR A 30 16.951 10.908 -8.622 1.00 6.04 C ATOM 457 CZ TYR A 30 17.824 11.838 -9.144 1.00 6.45 C ATOM 458 OH TYR A 30 17.712 12.212 -10.463 1.00 7.51 O ATOM 0 H TYR A 30 18.172 10.371 -2.544 1.00 2.07 H new ATOM 0 HA TYR A 30 18.185 12.681 -4.269 1.00 2.80 H new ATOM 0 HB2 TYR A 30 19.202 10.447 -4.804 1.00 3.68 H new ATOM 0 HB3 TYR A 30 17.591 9.762 -4.864 1.00 3.68 H new ATOM 0 HD1 TYR A 30 19.675 12.462 -6.409 1.00 5.12 H new ATOM 0 HD2 TYR A 30 16.376 9.809 -6.888 1.00 5.11 H new ATOM 0 HE1 TYR A 30 19.483 13.128 -8.765 1.00 6.09 H new ATOM 0 HE2 TYR A 30 16.185 10.472 -9.246 1.00 6.04 H new ATOM 0 HH TYR A 30 16.973 11.722 -10.880 1.00 7.51 H new ATOM 468 N ASN A 31 15.733 13.177 -3.819 1.00 2.62 N ATOM 469 CA ASN A 31 14.323 13.579 -3.855 1.00 2.78 C ATOM 470 C ASN A 31 13.483 12.717 -2.917 1.00 1.96 C ATOM 471 O ASN A 31 13.217 13.092 -1.775 1.00 2.53 O ATOM 472 CB ASN A 31 13.749 13.517 -5.281 1.00 3.85 C ATOM 473 CG ASN A 31 14.484 14.415 -6.258 1.00 4.61 C ATOM 474 OD1 ASN A 31 15.059 15.434 -5.878 1.00 4.92 O ATOM 475 ND2 ASN A 31 14.462 14.046 -7.528 1.00 5.33 N ATOM 0 H ASN A 31 16.355 13.909 -3.476 1.00 2.62 H new ATOM 0 HA ASN A 31 14.278 14.614 -3.516 1.00 2.78 H new ATOM 0 HB2 ASN A 31 13.792 12.488 -5.639 1.00 3.85 H new ATOM 0 HB3 ASN A 31 12.697 13.802 -5.256 1.00 3.85 H new ATOM 0 HD21 ASN A 31 14.933 14.614 -8.232 1.00 5.33 H new ATOM 0 HD22 ASN A 31 13.974 13.194 -7.803 1.00 5.33 H new ATOM 482 N TYR A 32 13.090 11.553 -3.409 1.00 1.18 N ATOM 483 CA TYR A 32 12.311 10.599 -2.640 1.00 1.18 C ATOM 484 C TYR A 32 12.342 9.248 -3.344 1.00 0.92 C ATOM 485 O TYR A 32 11.310 8.682 -3.695 1.00 1.05 O ATOM 486 CB TYR A 32 10.864 11.092 -2.439 1.00 1.78 C ATOM 487 CG TYR A 32 10.120 11.453 -3.716 1.00 2.38 C ATOM 488 CD1 TYR A 32 10.312 12.682 -4.333 1.00 3.08 C ATOM 489 CD2 TYR A 32 9.220 10.566 -4.295 1.00 2.99 C ATOM 490 CE1 TYR A 32 9.635 13.015 -5.490 1.00 3.93 C ATOM 491 CE2 TYR A 32 8.539 10.890 -5.451 1.00 3.86 C ATOM 492 CZ TYR A 32 8.750 12.116 -6.045 1.00 4.19 C ATOM 493 OH TYR A 32 8.079 12.442 -7.202 1.00 5.19 O ATOM 0 H TYR A 32 13.304 11.243 -4.357 1.00 1.18 H new ATOM 0 HA TYR A 32 12.751 10.495 -1.648 1.00 1.18 H new ATOM 0 HB2 TYR A 32 10.302 10.317 -1.917 1.00 1.78 H new ATOM 0 HB3 TYR A 32 10.882 11.966 -1.788 1.00 1.78 H new ATOM 0 HD1 TYR A 32 11.003 13.390 -3.900 1.00 3.08 H new ATOM 0 HD2 TYR A 32 9.050 9.605 -3.832 1.00 2.99 H new ATOM 0 HE1 TYR A 32 9.798 13.975 -5.957 1.00 3.93 H new ATOM 0 HE2 TYR A 32 7.845 10.187 -5.888 1.00 3.86 H new ATOM 0 HH TYR A 32 7.495 11.699 -7.462 1.00 5.19 H new ATOM 503 N THR A 33 13.539 8.735 -3.563 1.00 0.67 N ATOM 504 CA THR A 33 13.697 7.504 -4.312 1.00 0.46 C ATOM 505 C THR A 33 14.644 6.538 -3.597 1.00 0.38 C ATOM 506 O THR A 33 15.725 6.917 -3.151 1.00 0.44 O ATOM 507 CB THR A 33 14.202 7.798 -5.738 1.00 0.45 C ATOM 508 OG1 THR A 33 14.074 9.201 -6.021 1.00 0.66 O ATOM 509 CG2 THR A 33 13.410 7.009 -6.773 1.00 0.43 C ATOM 0 H THR A 33 14.411 9.150 -3.234 1.00 0.67 H new ATOM 0 HA THR A 33 12.719 7.027 -4.380 1.00 0.46 H new ATOM 0 HB THR A 33 15.249 7.499 -5.793 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.746 9.700 -5.512 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.787 7.236 -7.770 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.518 5.942 -6.578 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.357 7.284 -6.712 1.00 0.43 H new ATOM 517 N LEU A 34 14.195 5.300 -3.494 1.00 0.32 N ATOM 518 CA LEU A 34 14.909 4.220 -2.822 1.00 0.30 C ATOM 519 C LEU A 34 15.869 3.564 -3.799 1.00 0.31 C ATOM 520 O LEU A 34 15.449 2.834 -4.693 1.00 0.34 O ATOM 521 CB LEU A 34 13.851 3.216 -2.345 1.00 0.30 C ATOM 522 CG LEU A 34 13.912 2.759 -0.889 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.698 1.909 -0.566 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.169 1.976 -0.607 1.00 0.28 C ATOM 0 H LEU A 34 13.300 5.006 -3.885 1.00 0.32 H new ATOM 0 HA LEU A 34 15.491 4.588 -1.977 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.869 3.656 -2.518 1.00 0.30 H new ATOM 0 HB3 LEU A 34 13.919 2.331 -2.978 1.00 0.30 H new ATOM 0 HG LEU A 34 13.919 3.648 -0.259 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.746 1.586 0.474 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.792 2.495 -0.722 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.682 1.035 -1.217 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.178 1.667 0.438 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.199 1.094 -1.246 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.039 2.600 -0.809 1.00 0.28 H new ATOM 536 N SER A 35 17.153 3.844 -3.637 1.00 0.32 N ATOM 537 CA SER A 35 18.162 3.375 -4.569 1.00 0.33 C ATOM 538 C SER A 35 18.353 1.862 -4.462 1.00 0.32 C ATOM 539 O SER A 35 17.896 1.244 -3.497 1.00 0.30 O ATOM 540 CB SER A 35 19.480 4.115 -4.329 1.00 0.37 C ATOM 541 OG SER A 35 20.469 3.745 -5.277 1.00 0.40 O ATOM 0 H SER A 35 17.521 4.397 -2.863 1.00 0.32 H new ATOM 0 HA SER A 35 17.823 3.589 -5.583 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.309 5.190 -4.382 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.841 3.899 -3.323 1.00 0.37 H new ATOM 0 HG SER A 35 21.297 4.237 -5.095 1.00 0.40 H new ATOM 547 N LYS A 36 19.050 1.287 -5.449 1.00 0.38 N ATOM 548 CA LYS A 36 19.167 -0.165 -5.606 1.00 0.42 C ATOM 549 C LYS A 36 19.482 -0.847 -4.286 1.00 0.36 C ATOM 550 O LYS A 36 18.682 -1.622 -3.768 1.00 0.35 O ATOM 551 CB LYS A 36 20.253 -0.509 -6.638 1.00 0.53 C ATOM 552 CG LYS A 36 20.472 -2.008 -6.841 1.00 0.62 C ATOM 553 CD LYS A 36 19.222 -2.690 -7.369 1.00 0.66 C ATOM 554 CE LYS A 36 19.423 -4.187 -7.580 1.00 0.61 C ATOM 555 NZ LYS A 36 20.338 -4.485 -8.711 1.00 0.65 N ATOM 0 H LYS A 36 19.550 1.818 -6.162 1.00 0.38 H new ATOM 0 HA LYS A 36 18.203 -0.533 -5.958 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.985 -0.060 -7.594 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.193 -0.055 -6.325 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.295 -2.165 -7.539 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.764 -2.465 -5.895 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.401 -2.531 -6.669 1.00 0.66 H new ATOM 0 HD3 LYS A 36 18.930 -2.229 -8.312 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.823 -4.629 -6.667 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.457 -4.657 -7.765 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.053 -5.377 -9.162 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.291 -3.714 -9.408 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.312 -4.572 -8.356 1.00 0.65 H new ATOM 569 N THR A 37 20.626 -0.523 -3.731 1.00 0.37 N ATOM 570 CA THR A 37 21.075 -1.158 -2.516 1.00 0.38 C ATOM 571 C THR A 37 20.188 -0.799 -1.332 1.00 0.36 C ATOM 572 O THR A 37 19.980 -1.614 -0.429 1.00 0.38 O ATOM 573 CB THR A 37 22.507 -0.756 -2.189 1.00 0.44 C ATOM 574 OG1 THR A 37 23.328 -0.892 -3.357 1.00 0.48 O ATOM 575 CG2 THR A 37 23.037 -1.634 -1.069 1.00 0.49 C ATOM 0 H THR A 37 21.265 0.180 -4.104 1.00 0.37 H new ATOM 0 HA THR A 37 21.022 -2.233 -2.688 1.00 0.38 H new ATOM 0 HB THR A 37 22.528 0.285 -1.865 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.248 -0.631 -3.143 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.062 -1.346 -0.835 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.414 -1.510 -0.183 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.016 -2.677 -1.384 1.00 0.49 H new ATOM 583 N GLU A 38 19.657 0.414 -1.341 1.00 0.34 N ATOM 584 CA GLU A 38 18.829 0.885 -0.249 1.00 0.34 C ATOM 585 C GLU A 38 17.600 -0.007 -0.106 1.00 0.34 C ATOM 586 O GLU A 38 17.178 -0.311 1.005 1.00 0.48 O ATOM 587 CB GLU A 38 18.442 2.340 -0.471 1.00 0.35 C ATOM 588 CG GLU A 38 19.648 3.251 -0.625 1.00 0.47 C ATOM 589 CD GLU A 38 19.278 4.712 -0.748 1.00 1.27 C ATOM 590 OE1 GLU A 38 18.400 5.038 -1.569 1.00 2.16 O ATOM 591 OE2 GLU A 38 19.894 5.542 -0.046 1.00 1.96 O ATOM 0 H GLU A 38 19.787 1.089 -2.095 1.00 0.34 H new ATOM 0 HA GLU A 38 19.394 0.832 0.682 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.820 2.414 -1.363 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.838 2.683 0.369 1.00 0.35 H new ATOM 0 HG2 GLU A 38 20.306 3.120 0.234 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.212 2.950 -1.508 1.00 0.47 H new ATOM 598 N PHE A 39 17.027 -0.457 -1.223 1.00 0.29 N ATOM 599 CA PHE A 39 15.895 -1.370 -1.127 1.00 0.31 C ATOM 600 C PHE A 39 16.349 -2.788 -0.989 1.00 0.28 C ATOM 601 O PHE A 39 15.720 -3.564 -0.305 1.00 0.27 O ATOM 602 CB PHE A 39 14.884 -1.244 -2.262 1.00 0.53 C ATOM 603 CG PHE A 39 15.375 -1.382 -3.670 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.585 -2.628 -4.228 1.00 1.78 C ATOM 605 CD2 PHE A 39 15.561 -0.261 -4.455 1.00 1.76 C ATOM 606 CE1 PHE A 39 15.981 -2.751 -5.542 1.00 2.66 C ATOM 607 CE2 PHE A 39 15.964 -0.376 -5.766 1.00 2.62 C ATOM 608 CZ PHE A 39 16.173 -1.623 -6.310 1.00 2.88 C ATOM 0 H PHE A 39 17.316 -0.214 -2.170 1.00 0.29 H new ATOM 0 HA PHE A 39 15.368 -1.068 -0.222 1.00 0.31 H new ATOM 0 HB2 PHE A 39 14.112 -1.997 -2.104 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.403 -0.270 -2.172 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.437 -3.514 -3.629 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.388 0.719 -4.035 1.00 1.76 H new ATOM 0 HE1 PHE A 39 16.141 -3.730 -5.969 1.00 2.66 H new ATOM 0 HE2 PHE A 39 16.116 0.509 -6.366 1.00 2.62 H new ATOM 0 HZ PHE A 39 16.488 -1.717 -7.339 1.00 2.88 H new ATOM 618 N LEU A 40 17.442 -3.120 -1.625 1.00 0.33 N ATOM 619 CA LEU A 40 18.034 -4.432 -1.462 1.00 0.37 C ATOM 620 C LEU A 40 18.175 -4.770 0.017 1.00 0.40 C ATOM 621 O LEU A 40 17.864 -5.877 0.457 1.00 0.43 O ATOM 622 CB LEU A 40 19.405 -4.431 -2.120 1.00 0.43 C ATOM 623 CG LEU A 40 19.495 -5.095 -3.496 1.00 0.50 C ATOM 624 CD1 LEU A 40 19.362 -6.602 -3.384 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.427 -4.552 -4.413 1.00 0.46 C ATOM 0 H LEU A 40 17.945 -2.503 -2.263 1.00 0.33 H new ATOM 0 HA LEU A 40 17.393 -5.181 -1.928 1.00 0.37 H new ATOM 0 HB2 LEU A 40 19.738 -3.398 -2.216 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.106 -4.931 -1.452 1.00 0.43 H new ATOM 0 HG LEU A 40 20.475 -4.866 -3.915 1.00 0.50 H new ATOM 0 HD11 LEU A 40 19.430 -7.048 -4.376 1.00 1.07 H new ATOM 0 HD12 LEU A 40 20.163 -6.992 -2.756 1.00 1.07 H new ATOM 0 HD13 LEU A 40 18.398 -6.850 -2.940 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.505 -5.034 -5.387 1.00 0.46 H new ATOM 0 HD22 LEU A 40 17.444 -4.753 -3.986 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.559 -3.476 -4.529 1.00 0.46 H new ATOM 637 N SER A 41 18.585 -3.781 0.786 1.00 0.42 N ATOM 638 CA SER A 41 18.879 -3.997 2.188 1.00 0.52 C ATOM 639 C SER A 41 17.611 -3.902 3.019 1.00 0.45 C ATOM 640 O SER A 41 17.417 -4.663 3.967 1.00 0.47 O ATOM 641 CB SER A 41 19.927 -2.993 2.671 1.00 0.67 C ATOM 642 OG SER A 41 19.629 -1.685 2.215 1.00 1.40 O ATOM 0 H SER A 41 18.722 -2.823 0.465 1.00 0.42 H new ATOM 0 HA SER A 41 19.287 -5.001 2.309 1.00 0.52 H new ATOM 0 HB2 SER A 41 19.968 -3.001 3.760 1.00 0.67 H new ATOM 0 HB3 SER A 41 20.912 -3.291 2.313 1.00 0.67 H new ATOM 0 HG SER A 41 20.044 -1.541 1.339 1.00 1.40 H new ATOM 648 N PHE A 42 16.742 -2.974 2.645 1.00 0.42 N ATOM 649 CA PHE A 42 15.534 -2.719 3.403 1.00 0.46 C ATOM 650 C PHE A 42 14.376 -3.611 2.999 1.00 0.29 C ATOM 651 O PHE A 42 13.437 -3.809 3.763 1.00 0.43 O ATOM 652 CB PHE A 42 15.229 -1.231 3.440 1.00 0.80 C ATOM 653 CG PHE A 42 16.192 -0.582 4.389 1.00 1.89 C ATOM 654 CD1 PHE A 42 15.928 -0.559 5.750 1.00 2.77 C ATOM 655 CD2 PHE A 42 17.387 -0.055 3.937 1.00 2.69 C ATOM 656 CE1 PHE A 42 16.833 -0.018 6.636 1.00 3.80 C ATOM 657 CE2 PHE A 42 18.294 0.492 4.816 1.00 3.73 C ATOM 658 CZ PHE A 42 18.019 0.508 6.170 1.00 4.13 C ATOM 0 H PHE A 42 16.855 -2.386 1.819 1.00 0.42 H new ATOM 0 HA PHE A 42 15.711 -3.010 4.438 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.325 -0.798 2.444 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.202 -1.061 3.764 1.00 0.80 H new ATOM 0 HD1 PHE A 42 15.001 -0.971 6.120 1.00 2.77 H new ATOM 0 HD2 PHE A 42 17.612 -0.073 2.881 1.00 2.69 H new ATOM 0 HE1 PHE A 42 16.614 -0.006 7.694 1.00 3.80 H new ATOM 0 HE2 PHE A 42 19.220 0.908 4.448 1.00 3.73 H new ATOM 0 HZ PHE A 42 18.732 0.932 6.862 1.00 4.13 H new ATOM 668 N MET A 43 14.455 -4.169 1.817 1.00 0.26 N ATOM 669 CA MET A 43 13.611 -5.296 1.460 1.00 0.29 C ATOM 670 C MET A 43 14.081 -6.548 2.197 1.00 0.29 C ATOM 671 O MET A 43 13.278 -7.380 2.597 1.00 0.37 O ATOM 672 CB MET A 43 13.658 -5.551 -0.034 1.00 0.39 C ATOM 673 CG MET A 43 12.864 -4.560 -0.868 1.00 0.62 C ATOM 674 SD MET A 43 13.050 -4.840 -2.640 1.00 1.22 S ATOM 675 CE MET A 43 11.985 -3.567 -3.302 1.00 2.26 C ATOM 0 H MET A 43 15.093 -3.866 1.081 1.00 0.26 H new ATOM 0 HA MET A 43 12.586 -5.060 1.746 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.698 -5.530 -0.361 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.282 -6.555 -0.230 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.809 -4.629 -0.602 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.188 -3.547 -0.628 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.368 -3.986 -4.097 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.343 -3.181 -2.510 1.00 2.26 H new ATOM 0 HE3 MET A 43 12.593 -2.756 -3.703 1.00 2.26 H new ATOM 685 N ASN A 44 15.392 -6.685 2.370 1.00 0.29 N ATOM 686 CA ASN A 44 15.948 -7.828 3.098 1.00 0.33 C ATOM 687 C ASN A 44 15.753 -7.701 4.603 1.00 0.32 C ATOM 688 O ASN A 44 15.966 -8.660 5.341 1.00 0.39 O ATOM 689 CB ASN A 44 17.434 -7.990 2.804 1.00 0.42 C ATOM 690 CG ASN A 44 17.714 -8.978 1.690 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.024 -9.985 1.558 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.727 -8.699 0.885 1.00 1.83 N ATOM 0 H ASN A 44 16.087 -6.026 2.020 1.00 0.29 H new ATOM 0 HA ASN A 44 15.405 -8.707 2.752 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.853 -7.020 2.536 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.944 -8.318 3.710 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.960 -9.332 0.120 1.00 1.83 H new ATOM 0 HD22 ASN A 44 19.275 -7.851 1.030 1.00 1.83 H new ATOM 699 N THR A 45 15.387 -6.519 5.070 1.00 0.26 N ATOM 700 CA THR A 45 15.126 -6.325 6.491 1.00 0.29 C ATOM 701 C THR A 45 13.645 -6.214 6.769 1.00 0.28 C ATOM 702 O THR A 45 13.050 -7.059 7.442 1.00 0.34 O ATOM 703 CB THR A 45 15.803 -5.054 7.020 1.00 0.29 C ATOM 704 OG1 THR A 45 15.761 -4.036 6.018 1.00 0.34 O ATOM 705 CG2 THR A 45 17.243 -5.327 7.416 1.00 0.34 C ATOM 0 H THR A 45 15.264 -5.686 4.495 1.00 0.26 H new ATOM 0 HA THR A 45 15.535 -7.199 6.998 1.00 0.29 H new ATOM 0 HB THR A 45 15.264 -4.720 7.906 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.423 -4.234 5.323 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.699 -4.409 7.787 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.268 -6.086 8.198 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.798 -5.682 6.548 1.00 0.34 H new ATOM 713 N GLU A 46 13.053 -5.181 6.207 1.00 0.23 N ATOM 714 CA GLU A 46 11.679 -4.843 6.487 1.00 0.25 C ATOM 715 C GLU A 46 10.730 -5.733 5.699 1.00 0.25 C ATOM 716 O GLU A 46 9.528 -5.727 5.927 1.00 0.34 O ATOM 717 CB GLU A 46 11.437 -3.373 6.161 1.00 0.29 C ATOM 718 CG GLU A 46 12.404 -2.430 6.864 1.00 0.58 C ATOM 719 CD GLU A 46 12.284 -2.468 8.377 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.844 -3.396 9.005 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.648 -1.556 8.952 1.00 1.68 O ATOM 0 H GLU A 46 13.512 -4.555 5.545 1.00 0.23 H new ATOM 0 HA GLU A 46 11.484 -5.008 7.547 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.520 -3.229 5.084 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.417 -3.110 6.440 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.424 -2.689 6.580 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.225 -1.412 6.517 1.00 0.58 H new ATOM 728 N LEU A 47 11.274 -6.500 4.772 1.00 0.25 N ATOM 729 CA LEU A 47 10.467 -7.411 3.980 1.00 0.26 C ATOM 730 C LEU A 47 11.119 -8.771 3.905 1.00 0.28 C ATOM 731 O LEU A 47 10.857 -9.540 2.989 1.00 0.30 O ATOM 732 CB LEU A 47 10.265 -6.856 2.577 1.00 0.26 C ATOM 733 CG LEU A 47 9.527 -5.529 2.523 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.522 -4.999 1.106 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.111 -5.699 3.049 1.00 0.27 C ATOM 0 H LEU A 47 12.269 -6.511 4.549 1.00 0.25 H new ATOM 0 HA LEU A 47 9.496 -7.515 4.464 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.240 -6.734 2.105 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.714 -7.588 1.987 1.00 0.26 H new ATOM 0 HG LEU A 47 10.039 -4.805 3.156 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.991 -4.048 1.075 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.548 -4.853 0.768 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.023 -5.714 0.452 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.590 -4.743 3.006 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.581 -6.429 2.437 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.146 -6.048 4.081 1.00 0.27 H new ATOM 747 N ALA A 48 11.979 -9.062 4.868 1.00 0.32 N ATOM 748 CA ALA A 48 12.643 -10.352 4.924 1.00 0.36 C ATOM 749 C ALA A 48 11.619 -11.466 5.096 1.00 0.39 C ATOM 750 O ALA A 48 11.863 -12.613 4.719 1.00 0.44 O ATOM 751 CB ALA A 48 13.657 -10.365 6.046 1.00 0.41 C ATOM 0 H ALA A 48 12.233 -8.422 5.621 1.00 0.32 H new ATOM 0 HA ALA A 48 13.171 -10.523 3.986 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.150 -11.337 6.080 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.401 -9.587 5.873 1.00 0.41 H new ATOM 0 HB3 ALA A 48 13.153 -10.181 6.994 1.00 0.41 H new ATOM 757 N ALA A 49 10.471 -11.100 5.655 1.00 0.38 N ATOM 758 CA ALA A 49 9.329 -11.995 5.758 1.00 0.41 C ATOM 759 C ALA A 49 8.938 -12.513 4.378 1.00 0.41 C ATOM 760 O ALA A 49 8.617 -13.686 4.207 1.00 0.47 O ATOM 761 CB ALA A 49 8.163 -11.257 6.393 1.00 0.44 C ATOM 0 H ALA A 49 10.308 -10.173 6.049 1.00 0.38 H new ATOM 0 HA ALA A 49 9.596 -12.847 6.382 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.307 -11.927 6.470 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.447 -10.915 7.388 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.897 -10.398 5.777 1.00 0.44 H new ATOM 767 N PHE A 50 8.969 -11.617 3.405 1.00 0.36 N ATOM 768 CA PHE A 50 8.691 -11.962 2.020 1.00 0.37 C ATOM 769 C PHE A 50 9.953 -12.470 1.333 1.00 0.38 C ATOM 770 O PHE A 50 10.015 -13.605 0.865 1.00 0.44 O ATOM 771 CB PHE A 50 8.173 -10.726 1.278 1.00 0.35 C ATOM 772 CG PHE A 50 7.798 -10.984 -0.156 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.548 -11.486 -0.480 1.00 1.32 C ATOM 774 CD2 PHE A 50 8.694 -10.718 -1.181 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.199 -11.719 -1.797 1.00 1.66 C ATOM 776 CE2 PHE A 50 8.351 -10.950 -2.499 1.00 2.09 C ATOM 777 CZ PHE A 50 7.103 -11.451 -2.807 1.00 1.80 C ATOM 0 H PHE A 50 9.187 -10.632 3.552 1.00 0.36 H new ATOM 0 HA PHE A 50 7.937 -12.749 2.001 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.302 -10.337 1.806 1.00 0.35 H new ATOM 0 HB3 PHE A 50 8.938 -9.950 1.309 1.00 0.35 H new ATOM 0 HD1 PHE A 50 5.838 -11.698 0.306 1.00 1.32 H new ATOM 0 HD2 PHE A 50 9.672 -10.325 -0.946 1.00 1.63 H new ATOM 0 HE1 PHE A 50 5.221 -12.110 -2.036 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.059 -10.739 -3.287 1.00 2.09 H new ATOM 0 HZ PHE A 50 6.833 -11.634 -3.837 1.00 1.80 H new ATOM 787 N THR A 51 10.961 -11.609 1.321 1.00 0.36 N ATOM 788 CA THR A 51 12.181 -11.806 0.558 1.00 0.40 C ATOM 789 C THR A 51 12.884 -13.122 0.883 1.00 0.45 C ATOM 790 O THR A 51 13.119 -13.947 0.004 1.00 0.54 O ATOM 791 CB THR A 51 13.146 -10.646 0.842 1.00 0.39 C ATOM 792 OG1 THR A 51 12.516 -9.396 0.532 1.00 0.39 O ATOM 793 CG2 THR A 51 14.430 -10.792 0.043 1.00 0.49 C ATOM 0 H THR A 51 10.951 -10.738 1.852 1.00 0.36 H new ATOM 0 HA THR A 51 11.897 -11.839 -0.494 1.00 0.40 H new ATOM 0 HB THR A 51 13.401 -10.669 1.902 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.774 -8.726 1.199 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.094 -9.956 0.265 1.00 0.49 H new ATOM 0 HG22 THR A 51 14.922 -11.727 0.312 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.197 -10.798 -1.022 1.00 0.49 H new ATOM 801 N LYS A 52 13.212 -13.318 2.150 1.00 0.48 N ATOM 802 CA LYS A 52 14.023 -14.457 2.551 1.00 0.60 C ATOM 803 C LYS A 52 13.173 -15.709 2.692 1.00 0.69 C ATOM 804 O LYS A 52 13.678 -16.785 3.003 1.00 0.84 O ATOM 805 CB LYS A 52 14.760 -14.156 3.854 1.00 0.70 C ATOM 806 CG LYS A 52 15.723 -12.990 3.733 1.00 0.78 C ATOM 807 CD LYS A 52 16.456 -12.724 5.033 1.00 1.07 C ATOM 808 CE LYS A 52 17.363 -11.512 4.920 1.00 1.24 C ATOM 809 NZ LYS A 52 18.489 -11.742 3.975 1.00 1.82 N ATOM 0 H LYS A 52 12.931 -12.706 2.916 1.00 0.48 H new ATOM 0 HA LYS A 52 14.761 -14.639 1.770 1.00 0.60 H new ATOM 0 HB2 LYS A 52 14.032 -13.939 4.636 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.310 -15.043 4.168 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.446 -13.197 2.944 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.175 -12.096 3.436 1.00 0.78 H new ATOM 0 HD2 LYS A 52 15.734 -12.566 5.834 1.00 1.07 H new ATOM 0 HD3 LYS A 52 17.047 -13.599 5.305 1.00 1.07 H new ATOM 0 HE2 LYS A 52 16.780 -10.653 4.587 1.00 1.24 H new ATOM 0 HE3 LYS A 52 17.761 -11.264 5.904 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 19.362 -11.336 4.369 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 18.617 -12.764 3.830 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.276 -11.287 3.064 1.00 1.82 H new ATOM 823 N ASN A 53 11.881 -15.561 2.469 1.00 0.68 N ATOM 824 CA ASN A 53 10.970 -16.687 2.551 1.00 0.85 C ATOM 825 C ASN A 53 10.545 -17.111 1.147 1.00 1.00 C ATOM 826 O ASN A 53 9.846 -18.108 0.965 1.00 1.22 O ATOM 827 CB ASN A 53 9.744 -16.311 3.387 1.00 0.92 C ATOM 828 CG ASN A 53 9.041 -17.505 4.014 1.00 1.40 C ATOM 829 OD1 ASN A 53 8.394 -17.271 5.145 1.00 1.94 O flip ATOM 830 ND2 ASN A 53 9.074 -18.622 3.496 1.00 2.05 N flip ATOM 0 H ASN A 53 11.439 -14.673 2.230 1.00 0.68 H new ATOM 0 HA ASN A 53 11.477 -17.523 3.034 1.00 0.85 H new ATOM 0 HB2 ASN A 53 10.051 -15.625 4.177 1.00 0.92 H new ATOM 0 HB3 ASN A 53 9.036 -15.774 2.756 1.00 0.92 H new ATOM 0 HD21 ASN A 53 9.583 -18.765 2.624 1.00 2.05 H new ATOM 0 HD22 ASN A 53 8.592 -19.404 3.939 1.00 2.05 H new ATOM 837 N GLN A 54 10.986 -16.356 0.150 1.00 1.02 N ATOM 838 CA GLN A 54 10.601 -16.618 -1.226 1.00 1.29 C ATOM 839 C GLN A 54 11.745 -16.315 -2.192 1.00 1.33 C ATOM 840 O GLN A 54 11.895 -15.184 -2.657 1.00 2.05 O ATOM 841 CB GLN A 54 9.364 -15.794 -1.590 1.00 1.74 C ATOM 842 CG GLN A 54 8.883 -16.000 -3.018 1.00 2.17 C ATOM 843 CD GLN A 54 7.620 -15.221 -3.326 1.00 2.40 C ATOM 844 OE1 GLN A 54 6.781 -14.999 -2.453 1.00 2.91 O ATOM 845 NE2 GLN A 54 7.474 -14.800 -4.571 1.00 2.71 N ATOM 0 H GLN A 54 11.610 -15.558 0.270 1.00 1.02 H new ATOM 0 HA GLN A 54 10.363 -17.678 -1.315 1.00 1.29 H new ATOM 0 HB2 GLN A 54 8.556 -16.049 -0.905 1.00 1.74 H new ATOM 0 HB3 GLN A 54 9.587 -14.737 -1.441 1.00 1.74 H new ATOM 0 HG2 GLN A 54 9.670 -15.698 -3.709 1.00 2.17 H new ATOM 0 HG3 GLN A 54 8.701 -17.061 -3.187 1.00 2.17 H new ATOM 0 HE21 GLN A 54 8.192 -15.004 -5.266 1.00 2.71 H new ATOM 0 HE22 GLN A 54 6.643 -14.271 -4.836 1.00 2.71 H new ATOM 854 N LYS A 55 12.555 -17.340 -2.465 1.00 1.44 N ATOM 855 CA LYS A 55 13.601 -17.280 -3.489 1.00 1.87 C ATOM 856 C LYS A 55 14.772 -16.381 -3.059 1.00 1.59 C ATOM 857 O LYS A 55 14.730 -15.735 -2.011 1.00 2.27 O ATOM 858 CB LYS A 55 12.993 -16.820 -4.828 1.00 2.84 C ATOM 859 CG LYS A 55 13.923 -16.940 -6.029 1.00 3.60 C ATOM 860 CD LYS A 55 13.199 -16.650 -7.335 1.00 4.29 C ATOM 861 CE LYS A 55 12.153 -17.713 -7.643 1.00 5.02 C ATOM 862 NZ LYS A 55 11.525 -17.507 -8.973 1.00 5.58 N ATOM 0 H LYS A 55 12.504 -18.237 -1.982 1.00 1.44 H new ATOM 0 HA LYS A 55 14.013 -18.281 -3.619 1.00 1.87 H new ATOM 0 HB2 LYS A 55 12.094 -17.405 -5.023 1.00 2.84 H new ATOM 0 HB3 LYS A 55 12.681 -15.780 -4.731 1.00 2.84 H new ATOM 0 HG2 LYS A 55 14.757 -16.247 -5.914 1.00 3.60 H new ATOM 0 HG3 LYS A 55 14.345 -17.944 -6.063 1.00 3.60 H new ATOM 0 HD2 LYS A 55 12.720 -15.673 -7.277 1.00 4.29 H new ATOM 0 HD3 LYS A 55 13.922 -16.603 -8.150 1.00 4.29 H new ATOM 0 HE2 LYS A 55 12.617 -18.699 -7.610 1.00 5.02 H new ATOM 0 HE3 LYS A 55 11.383 -17.698 -6.872 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 10.819 -18.252 -9.143 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 11.060 -16.577 -8.997 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 12.256 -17.547 -9.712 1.00 5.58 H new ATOM 876 N ASP A 56 15.833 -16.388 -3.858 1.00 1.36 N ATOM 877 CA ASP A 56 17.017 -15.564 -3.619 1.00 1.50 C ATOM 878 C ASP A 56 16.682 -14.077 -3.724 1.00 1.27 C ATOM 879 O ASP A 56 15.668 -13.707 -4.314 1.00 1.44 O ATOM 880 CB ASP A 56 18.097 -15.912 -4.650 1.00 2.13 C ATOM 881 CG ASP A 56 18.699 -17.279 -4.431 1.00 2.83 C ATOM 882 OD1 ASP A 56 19.667 -17.387 -3.654 1.00 3.44 O ATOM 883 OD2 ASP A 56 18.219 -18.252 -5.049 1.00 3.39 O ATOM 0 H ASP A 56 15.898 -16.968 -4.695 1.00 1.36 H new ATOM 0 HA ASP A 56 17.379 -15.768 -2.611 1.00 1.50 H new ATOM 0 HB2 ASP A 56 17.666 -15.866 -5.650 1.00 2.13 H new ATOM 0 HB3 ASP A 56 18.887 -15.162 -4.609 1.00 2.13 H new ATOM 888 N PRO A 57 17.556 -13.201 -3.174 1.00 1.06 N ATOM 889 CA PRO A 57 17.376 -11.736 -3.213 1.00 1.02 C ATOM 890 C PRO A 57 17.308 -11.188 -4.634 1.00 0.75 C ATOM 891 O PRO A 57 17.026 -10.007 -4.842 1.00 0.70 O ATOM 892 CB PRO A 57 18.623 -11.199 -2.501 1.00 1.20 C ATOM 893 CG PRO A 57 19.607 -12.309 -2.598 1.00 1.20 C ATOM 894 CD PRO A 57 18.793 -13.558 -2.458 1.00 1.14 C ATOM 0 HA PRO A 57 16.436 -11.438 -2.748 1.00 1.02 H new ATOM 0 HB2 PRO A 57 18.996 -10.294 -2.980 1.00 1.20 H new ATOM 0 HB3 PRO A 57 18.410 -10.946 -1.462 1.00 1.20 H new ATOM 0 HG2 PRO A 57 20.135 -12.286 -3.551 1.00 1.20 H new ATOM 0 HG3 PRO A 57 20.361 -12.239 -1.814 1.00 1.20 H new ATOM 0 HD2 PRO A 57 19.289 -14.420 -2.905 1.00 1.14 H new ATOM 0 HD3 PRO A 57 18.603 -13.806 -1.414 1.00 1.14 H new ATOM 902 N GLY A 58 17.567 -12.053 -5.609 1.00 0.67 N ATOM 903 CA GLY A 58 17.396 -11.696 -7.002 1.00 0.56 C ATOM 904 C GLY A 58 15.964 -11.312 -7.312 1.00 0.49 C ATOM 905 O GLY A 58 15.677 -10.696 -8.334 1.00 0.48 O ATOM 0 H GLY A 58 17.896 -13.006 -5.454 1.00 0.67 H new ATOM 0 HA2 GLY A 58 18.057 -10.865 -7.248 1.00 0.56 H new ATOM 0 HA3 GLY A 58 17.692 -12.535 -7.631 1.00 0.56 H new ATOM 909 N VAL A 59 15.058 -11.684 -6.420 1.00 0.52 N ATOM 910 CA VAL A 59 13.667 -11.288 -6.538 1.00 0.52 C ATOM 911 C VAL A 59 13.522 -9.781 -6.423 1.00 0.49 C ATOM 912 O VAL A 59 12.750 -9.169 -7.157 1.00 0.49 O ATOM 913 CB VAL A 59 12.792 -11.971 -5.469 1.00 0.61 C ATOM 914 CG1 VAL A 59 13.351 -11.728 -4.078 1.00 0.65 C ATOM 915 CG2 VAL A 59 11.355 -11.479 -5.552 1.00 0.66 C ATOM 0 H VAL A 59 15.264 -12.261 -5.605 1.00 0.52 H new ATOM 0 HA VAL A 59 13.325 -11.608 -7.522 1.00 0.52 H new ATOM 0 HB VAL A 59 12.802 -13.044 -5.663 1.00 0.61 H new ATOM 0 HG11 VAL A 59 12.717 -12.219 -3.340 1.00 0.65 H new ATOM 0 HG12 VAL A 59 14.361 -12.133 -4.016 1.00 0.65 H new ATOM 0 HG13 VAL A 59 13.377 -10.657 -3.878 1.00 0.65 H new ATOM 0 HG21 VAL A 59 10.756 -11.975 -4.788 1.00 0.66 H new ATOM 0 HG22 VAL A 59 11.329 -10.401 -5.390 1.00 0.66 H new ATOM 0 HG23 VAL A 59 10.948 -11.708 -6.537 1.00 0.66 H new ATOM 925 N LEU A 60 14.291 -9.188 -5.523 1.00 0.48 N ATOM 926 CA LEU A 60 14.250 -7.748 -5.318 1.00 0.46 C ATOM 927 C LEU A 60 14.777 -7.054 -6.556 1.00 0.43 C ATOM 928 O LEU A 60 14.512 -5.881 -6.796 1.00 0.41 O ATOM 929 CB LEU A 60 15.092 -7.340 -4.109 1.00 0.48 C ATOM 930 CG LEU A 60 14.941 -8.238 -2.881 1.00 0.51 C ATOM 931 CD1 LEU A 60 15.852 -7.769 -1.758 1.00 0.51 C ATOM 932 CD2 LEU A 60 13.490 -8.272 -2.430 1.00 0.52 C ATOM 0 H LEU A 60 14.951 -9.682 -4.923 1.00 0.48 H new ATOM 0 HA LEU A 60 13.217 -7.454 -5.131 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.141 -7.328 -4.404 1.00 0.48 H new ATOM 0 HB3 LEU A 60 14.828 -6.320 -3.829 1.00 0.48 H new ATOM 0 HG LEU A 60 15.239 -9.251 -3.150 1.00 0.51 H new ATOM 0 HD11 LEU A 60 15.729 -8.421 -0.893 1.00 0.51 H new ATOM 0 HD12 LEU A 60 16.889 -7.802 -2.093 1.00 0.51 H new ATOM 0 HD13 LEU A 60 15.592 -6.747 -1.481 1.00 0.51 H new ATOM 0 HD21 LEU A 60 13.396 -8.915 -1.555 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.164 -7.263 -2.176 1.00 0.52 H new ATOM 0 HD23 LEU A 60 12.868 -8.662 -3.235 1.00 0.52 H new ATOM 944 N ASP A 61 15.522 -7.812 -7.343 1.00 0.46 N ATOM 945 CA ASP A 61 16.070 -7.320 -8.597 1.00 0.46 C ATOM 946 C ASP A 61 14.977 -7.257 -9.642 1.00 0.47 C ATOM 947 O ASP A 61 14.955 -6.371 -10.493 1.00 0.51 O ATOM 948 CB ASP A 61 17.201 -8.226 -9.081 1.00 0.47 C ATOM 949 CG ASP A 61 18.156 -7.515 -10.021 1.00 0.48 C ATOM 950 OD1 ASP A 61 17.924 -7.542 -11.248 1.00 1.22 O ATOM 951 OD2 ASP A 61 19.157 -6.940 -9.539 1.00 1.19 O ATOM 0 H ASP A 61 15.763 -8.781 -7.133 1.00 0.46 H new ATOM 0 HA ASP A 61 16.473 -6.320 -8.434 1.00 0.46 H new ATOM 0 HB2 ASP A 61 17.755 -8.600 -8.220 1.00 0.47 H new ATOM 0 HB3 ASP A 61 16.776 -9.092 -9.588 1.00 0.47 H new ATOM 956 N ARG A 62 14.057 -8.201 -9.553 1.00 0.47 N ATOM 957 CA ARG A 62 12.902 -8.217 -10.431 1.00 0.51 C ATOM 958 C ARG A 62 11.971 -7.093 -10.022 1.00 0.50 C ATOM 959 O ARG A 62 11.422 -6.376 -10.861 1.00 0.56 O ATOM 960 CB ARG A 62 12.161 -9.544 -10.335 1.00 0.55 C ATOM 961 CG ARG A 62 13.074 -10.742 -10.186 1.00 0.55 C ATOM 962 CD ARG A 62 12.277 -12.016 -9.992 1.00 0.62 C ATOM 963 NE ARG A 62 11.169 -11.839 -9.047 1.00 1.45 N ATOM 964 CZ ARG A 62 10.219 -12.751 -8.832 1.00 1.97 C ATOM 965 NH1 ARG A 62 10.277 -13.930 -9.440 1.00 1.66 N ATOM 966 NH2 ARG A 62 9.217 -12.489 -8.002 1.00 3.02 N ATOM 0 H ARG A 62 14.088 -8.967 -8.880 1.00 0.47 H new ATOM 0 HA ARG A 62 13.236 -8.087 -11.460 1.00 0.51 H new ATOM 0 HB2 ARG A 62 11.480 -9.509 -9.484 1.00 0.55 H new ATOM 0 HB3 ARG A 62 11.549 -9.674 -11.228 1.00 0.55 H new ATOM 0 HG2 ARG A 62 13.704 -10.835 -11.071 1.00 0.55 H new ATOM 0 HG3 ARG A 62 13.739 -10.593 -9.335 1.00 0.55 H new ATOM 0 HD2 ARG A 62 11.883 -12.346 -10.953 1.00 0.62 H new ATOM 0 HD3 ARG A 62 12.938 -12.804 -9.631 1.00 0.62 H new ATOM 0 HE ARG A 62 11.122 -10.966 -8.522 1.00 1.45 H new ATOM 0 HH11 ARG A 62 11.049 -14.140 -10.073 1.00 1.66 H new ATOM 0 HH12 ARG A 62 9.550 -14.626 -9.274 1.00 1.66 H new ATOM 0 HH21 ARG A 62 9.171 -11.588 -7.526 1.00 3.02 H new ATOM 0 HH22 ARG A 62 8.493 -13.189 -7.840 1.00 3.02 H new ATOM 980 N MET A 63 11.809 -6.953 -8.708 1.00 0.45 N ATOM 981 CA MET A 63 11.020 -5.874 -8.141 1.00 0.44 C ATOM 982 C MET A 63 11.609 -4.550 -8.580 1.00 0.41 C ATOM 983 O MET A 63 10.895 -3.685 -9.071 1.00 0.42 O ATOM 984 CB MET A 63 11.000 -5.947 -6.615 1.00 0.43 C ATOM 985 CG MET A 63 10.640 -7.319 -6.077 1.00 0.49 C ATOM 986 SD MET A 63 9.053 -7.928 -6.685 1.00 0.64 S ATOM 987 CE MET A 63 7.928 -6.697 -6.032 1.00 1.54 C ATOM 0 H MET A 63 12.219 -7.581 -8.016 1.00 0.45 H new ATOM 0 HA MET A 63 9.994 -5.967 -8.496 1.00 0.44 H new ATOM 0 HB2 MET A 63 11.980 -5.662 -6.233 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.285 -5.218 -6.234 1.00 0.43 H new ATOM 0 HG2 MET A 63 11.422 -8.026 -6.351 1.00 0.49 H new ATOM 0 HG3 MET A 63 10.614 -7.280 -4.988 1.00 0.49 H new ATOM 0 HE1 MET A 63 6.905 -6.962 -6.298 1.00 1.54 H new ATOM 0 HE2 MET A 63 8.022 -6.657 -4.947 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.171 -5.722 -6.454 1.00 1.54 H new ATOM 997 N MET A 64 12.927 -4.428 -8.417 1.00 0.41 N ATOM 998 CA MET A 64 13.672 -3.260 -8.864 1.00 0.42 C ATOM 999 C MET A 64 13.204 -2.808 -10.225 1.00 0.44 C ATOM 1000 O MET A 64 12.743 -1.698 -10.391 1.00 0.41 O ATOM 1001 CB MET A 64 15.167 -3.574 -8.958 1.00 0.55 C ATOM 1002 CG MET A 64 15.959 -2.513 -9.714 1.00 0.65 C ATOM 1003 SD MET A 64 17.609 -3.070 -10.173 1.00 1.87 S ATOM 1004 CE MET A 64 18.246 -1.596 -10.966 1.00 2.41 C ATOM 0 H MET A 64 13.505 -5.140 -7.970 1.00 0.41 H new ATOM 0 HA MET A 64 13.499 -2.471 -8.132 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.574 -3.674 -7.952 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.299 -4.537 -9.452 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.412 -2.230 -10.614 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.041 -1.618 -9.097 1.00 0.65 H new ATOM 0 HE1 MET A 64 19.098 -1.859 -11.593 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.466 -1.149 -11.583 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.562 -0.881 -10.206 1.00 2.41 H new ATOM 1014 N LYS A 65 13.292 -3.700 -11.183 1.00 0.52 N ATOM 1015 CA LYS A 65 13.091 -3.336 -12.575 1.00 0.56 C ATOM 1016 C LYS A 65 11.624 -3.106 -12.908 1.00 0.54 C ATOM 1017 O LYS A 65 11.305 -2.384 -13.851 1.00 0.60 O ATOM 1018 CB LYS A 65 13.704 -4.408 -13.454 1.00 0.66 C ATOM 1019 CG LYS A 65 15.177 -4.608 -13.146 1.00 0.79 C ATOM 1020 CD LYS A 65 16.012 -3.398 -13.548 1.00 0.86 C ATOM 1021 CE LYS A 65 15.939 -3.126 -15.043 1.00 1.57 C ATOM 1022 NZ LYS A 65 16.454 -4.268 -15.848 1.00 2.49 N ATOM 0 H LYS A 65 13.502 -4.686 -11.029 1.00 0.52 H new ATOM 0 HA LYS A 65 13.588 -2.384 -12.763 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.171 -5.347 -13.309 1.00 0.66 H new ATOM 0 HB3 LYS A 65 13.585 -4.132 -14.502 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.302 -4.797 -12.080 1.00 0.79 H new ATOM 0 HG3 LYS A 65 15.541 -5.491 -13.672 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.665 -2.521 -13.003 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.050 -3.562 -13.260 1.00 0.86 H new ATOM 0 HE2 LYS A 65 14.906 -2.923 -15.324 1.00 1.57 H new ATOM 0 HE3 LYS A 65 16.515 -2.230 -15.276 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 16.560 -3.974 -16.840 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 17.377 -4.567 -15.475 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 15.784 -5.062 -15.792 1.00 2.49 H new ATOM 1036 N LYS A 66 10.733 -3.707 -12.136 1.00 0.50 N ATOM 1037 CA LYS A 66 9.310 -3.420 -12.264 1.00 0.52 C ATOM 1038 C LYS A 66 9.020 -2.013 -11.761 1.00 0.48 C ATOM 1039 O LYS A 66 8.319 -1.232 -12.403 1.00 0.55 O ATOM 1040 CB LYS A 66 8.479 -4.409 -11.443 1.00 0.55 C ATOM 1041 CG LYS A 66 7.009 -4.020 -11.350 1.00 0.91 C ATOM 1042 CD LYS A 66 6.357 -4.557 -10.080 1.00 0.96 C ATOM 1043 CE LYS A 66 6.369 -6.078 -10.026 1.00 0.73 C ATOM 1044 NZ LYS A 66 5.500 -6.682 -11.074 1.00 1.47 N ATOM 0 H LYS A 66 10.966 -4.393 -11.418 1.00 0.50 H new ATOM 0 HA LYS A 66 9.042 -3.510 -13.317 1.00 0.52 H new ATOM 0 HB2 LYS A 66 8.559 -5.400 -11.889 1.00 0.55 H new ATOM 0 HB3 LYS A 66 8.895 -4.478 -10.438 1.00 0.55 H new ATOM 0 HG2 LYS A 66 6.919 -2.934 -11.373 1.00 0.91 H new ATOM 0 HG3 LYS A 66 6.477 -4.402 -12.221 1.00 0.91 H new ATOM 0 HD2 LYS A 66 6.880 -4.160 -9.210 1.00 0.96 H new ATOM 0 HD3 LYS A 66 5.328 -4.201 -10.024 1.00 0.96 H new ATOM 0 HE2 LYS A 66 7.391 -6.437 -10.152 1.00 0.73 H new ATOM 0 HE3 LYS A 66 6.034 -6.408 -9.043 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 5.457 -7.712 -10.938 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 4.542 -6.283 -11.003 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 5.893 -6.473 -12.014 1.00 1.47 H new ATOM 1058 N LEU A 67 9.594 -1.711 -10.612 1.00 0.41 N ATOM 1059 CA LEU A 67 9.251 -0.523 -9.853 1.00 0.39 C ATOM 1060 C LEU A 67 10.136 0.662 -10.212 1.00 0.40 C ATOM 1061 O LEU A 67 9.801 1.804 -9.925 1.00 0.46 O ATOM 1062 CB LEU A 67 9.421 -0.830 -8.382 1.00 0.34 C ATOM 1063 CG LEU A 67 8.794 -2.144 -7.907 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.296 -2.503 -6.525 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.282 -2.057 -7.909 1.00 0.37 C ATOM 0 H LEU A 67 10.315 -2.286 -10.176 1.00 0.41 H new ATOM 0 HA LEU A 67 8.222 -0.254 -10.089 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.487 -0.853 -8.154 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.989 -0.012 -7.805 1.00 0.34 H new ATOM 0 HG LEU A 67 9.092 -2.928 -8.603 1.00 0.33 H new ATOM 0 HD11 LEU A 67 8.840 -3.439 -6.204 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.380 -2.617 -6.550 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.031 -1.711 -5.824 1.00 0.30 H new ATOM 0 HD21 LEU A 67 6.863 -3.003 -7.568 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.963 -1.257 -7.241 1.00 0.37 H new ATOM 0 HD23 LEU A 67 6.931 -1.848 -8.920 1.00 0.37 H new ATOM 1077 N ASP A 68 11.288 0.385 -10.791 1.00 0.40 N ATOM 1078 CA ASP A 68 12.221 1.437 -11.181 1.00 0.42 C ATOM 1079 C ASP A 68 11.669 2.214 -12.356 1.00 0.52 C ATOM 1080 O ASP A 68 12.079 2.060 -13.507 1.00 0.56 O ATOM 1081 CB ASP A 68 13.598 0.864 -11.487 1.00 0.43 C ATOM 1082 CG ASP A 68 14.575 1.894 -12.035 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.678 3.004 -11.463 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.264 1.590 -13.029 1.00 1.13 O ATOM 0 H ASP A 68 11.606 -0.561 -11.004 1.00 0.40 H new ATOM 0 HA ASP A 68 12.339 2.125 -10.344 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.012 0.429 -10.577 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.494 0.054 -12.209 1.00 0.43 H new ATOM 1089 N THR A 69 10.693 3.020 -12.033 1.00 0.59 N ATOM 1090 CA THR A 69 10.043 3.880 -12.983 1.00 0.74 C ATOM 1091 C THR A 69 10.906 5.109 -13.248 1.00 0.84 C ATOM 1092 O THR A 69 10.681 5.866 -14.190 1.00 0.99 O ATOM 1093 CB THR A 69 8.668 4.274 -12.429 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.747 4.525 -13.498 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.771 5.510 -11.544 1.00 0.83 C ATOM 0 H THR A 69 10.322 3.098 -11.086 1.00 0.59 H new ATOM 0 HA THR A 69 9.907 3.361 -13.932 1.00 0.74 H new ATOM 0 HB THR A 69 8.301 3.442 -11.828 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.875 4.773 -13.127 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.783 5.769 -11.164 1.00 0.83 H new ATOM 0 HG22 THR A 69 9.439 5.304 -10.708 1.00 0.83 H new ATOM 0 HG23 THR A 69 9.165 6.343 -12.127 1.00 0.83 H new ATOM 1103 N ASN A 70 11.914 5.273 -12.403 1.00 0.80 N ATOM 1104 CA ASN A 70 12.851 6.376 -12.516 1.00 0.94 C ATOM 1105 C ASN A 70 13.939 6.021 -13.516 1.00 0.86 C ATOM 1106 O ASN A 70 14.734 6.864 -13.932 1.00 0.97 O ATOM 1107 CB ASN A 70 13.462 6.655 -11.146 1.00 1.01 C ATOM 1108 CG ASN A 70 14.234 7.962 -11.091 1.00 1.25 C ATOM 1109 OD1 ASN A 70 13.925 8.915 -11.803 1.00 1.46 O ATOM 1110 ND2 ASN A 70 15.246 8.017 -10.239 1.00 1.66 N ATOM 0 H ASN A 70 12.103 4.645 -11.622 1.00 0.80 H new ATOM 0 HA ASN A 70 12.332 7.269 -12.866 1.00 0.94 H new ATOM 0 HB2 ASN A 70 12.669 6.677 -10.399 1.00 1.01 H new ATOM 0 HB3 ASN A 70 14.129 5.835 -10.879 1.00 1.01 H new ATOM 0 HD21 ASN A 70 15.798 8.871 -10.158 1.00 1.66 H new ATOM 0 HD22 ASN A 70 15.473 7.206 -9.664 1.00 1.66 H new ATOM 1117 N SER A 71 13.935 4.743 -13.890 1.00 0.70 N ATOM 1118 CA SER A 71 14.885 4.155 -14.831 1.00 0.66 C ATOM 1119 C SER A 71 16.327 4.475 -14.459 1.00 0.61 C ATOM 1120 O SER A 71 17.189 4.640 -15.323 1.00 0.65 O ATOM 1121 CB SER A 71 14.571 4.579 -16.275 1.00 0.82 C ATOM 1122 OG SER A 71 14.539 5.993 -16.418 1.00 1.47 O ATOM 0 H SER A 71 13.253 4.071 -13.538 1.00 0.70 H new ATOM 0 HA SER A 71 14.773 3.073 -14.769 1.00 0.66 H new ATOM 0 HB2 SER A 71 15.322 4.163 -16.947 1.00 0.82 H new ATOM 0 HB3 SER A 71 13.610 4.162 -16.575 1.00 0.82 H new ATOM 0 HG SER A 71 14.988 6.409 -15.653 1.00 1.47 H new ATOM 1128 N ASP A 72 16.578 4.545 -13.165 1.00 0.58 N ATOM 1129 CA ASP A 72 17.908 4.844 -12.649 1.00 0.65 C ATOM 1130 C ASP A 72 18.371 3.716 -11.744 1.00 0.56 C ATOM 1131 O ASP A 72 19.559 3.556 -11.470 1.00 0.66 O ATOM 1132 CB ASP A 72 17.891 6.162 -11.868 1.00 0.80 C ATOM 1133 CG ASP A 72 19.269 6.579 -11.380 1.00 0.93 C ATOM 1134 OD1 ASP A 72 19.979 7.283 -12.128 1.00 1.53 O ATOM 1135 OD2 ASP A 72 19.646 6.216 -10.243 1.00 1.56 O ATOM 0 H ASP A 72 15.873 4.398 -12.443 1.00 0.58 H new ATOM 0 HA ASP A 72 18.598 4.942 -13.487 1.00 0.65 H new ATOM 0 HB2 ASP A 72 17.482 6.949 -12.502 1.00 0.80 H new ATOM 0 HB3 ASP A 72 17.223 6.063 -11.012 1.00 0.80 H new ATOM 1140 N GLY A 73 17.414 2.916 -11.313 1.00 0.45 N ATOM 1141 CA GLY A 73 17.685 1.890 -10.342 1.00 0.46 C ATOM 1142 C GLY A 73 17.182 2.287 -8.974 1.00 0.41 C ATOM 1143 O GLY A 73 17.760 1.902 -7.961 1.00 0.44 O ATOM 0 H GLY A 73 16.444 2.962 -11.624 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.210 0.959 -10.651 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.758 1.702 -10.298 1.00 0.46 H new ATOM 1147 N GLN A 74 16.113 3.078 -8.943 1.00 0.38 N ATOM 1148 CA GLN A 74 15.552 3.548 -7.692 1.00 0.37 C ATOM 1149 C GLN A 74 14.044 3.410 -7.714 1.00 0.36 C ATOM 1150 O GLN A 74 13.416 3.452 -8.772 1.00 0.39 O ATOM 1151 CB GLN A 74 15.887 5.015 -7.435 1.00 0.38 C ATOM 1152 CG GLN A 74 17.329 5.398 -7.709 1.00 0.42 C ATOM 1153 CD GLN A 74 17.619 6.855 -7.397 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.028 7.435 -6.493 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.513 7.461 -8.160 1.00 1.25 N ATOM 0 H GLN A 74 15.621 3.404 -9.775 1.00 0.38 H new ATOM 0 HA GLN A 74 15.987 2.939 -6.900 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.238 5.635 -8.054 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.655 5.249 -6.396 1.00 0.38 H new ATOM 0 HG2 GLN A 74 17.988 4.765 -7.114 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.560 5.202 -8.756 1.00 0.42 H new ATOM 0 HE21 GLN A 74 18.984 6.944 -8.903 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.732 8.445 -8.006 1.00 1.25 H new ATOM 1164 N LEU A 75 13.471 3.279 -6.540 1.00 0.33 N ATOM 1165 CA LEU A 75 12.037 3.124 -6.398 1.00 0.32 C ATOM 1166 C LEU A 75 11.438 4.352 -5.771 1.00 0.32 C ATOM 1167 O LEU A 75 11.784 4.723 -4.656 1.00 0.32 O ATOM 1168 CB LEU A 75 11.715 1.910 -5.539 1.00 0.31 C ATOM 1169 CG LEU A 75 12.386 0.624 -5.991 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.778 -0.565 -5.273 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.273 0.486 -7.499 1.00 0.35 C ATOM 0 H LEU A 75 13.982 3.277 -5.657 1.00 0.33 H new ATOM 0 HA LEU A 75 11.611 2.982 -7.391 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.012 2.118 -4.511 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.635 1.760 -5.534 1.00 0.31 H new ATOM 0 HG LEU A 75 13.445 0.657 -5.735 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.268 -1.480 -5.606 1.00 0.35 H new ATOM 0 HD12 LEU A 75 11.916 -0.450 -4.198 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.713 -0.621 -5.498 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.756 -0.438 -7.817 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.221 0.463 -7.784 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.761 1.334 -7.980 1.00 0.35 H new ATOM 1183 N ASP A 76 10.532 4.978 -6.478 1.00 0.35 N ATOM 1184 CA ASP A 76 9.899 6.171 -5.954 1.00 0.36 C ATOM 1185 C ASP A 76 8.702 5.735 -5.135 1.00 0.33 C ATOM 1186 O ASP A 76 8.309 4.576 -5.215 1.00 0.32 O ATOM 1187 CB ASP A 76 9.530 7.141 -7.086 1.00 0.44 C ATOM 1188 CG ASP A 76 8.046 7.160 -7.424 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.293 7.932 -6.792 1.00 1.68 O ATOM 1190 OD2 ASP A 76 7.627 6.416 -8.326 1.00 1.45 O ATOM 0 H ASP A 76 10.217 4.691 -7.405 1.00 0.35 H new ATOM 0 HA ASP A 76 10.583 6.724 -5.311 1.00 0.36 H new ATOM 0 HB2 ASP A 76 9.841 8.147 -6.805 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.093 6.871 -7.980 1.00 0.44 H new ATOM 1195 N PHE A 77 8.145 6.631 -4.338 1.00 0.41 N ATOM 1196 CA PHE A 77 7.110 6.259 -3.380 1.00 0.49 C ATOM 1197 C PHE A 77 5.978 5.500 -4.048 1.00 0.39 C ATOM 1198 O PHE A 77 5.547 4.458 -3.566 1.00 0.39 O ATOM 1199 CB PHE A 77 6.552 7.495 -2.698 1.00 0.72 C ATOM 1200 CG PHE A 77 5.752 7.175 -1.472 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.344 6.558 -0.384 1.00 2.66 C ATOM 1202 CD2 PHE A 77 4.409 7.486 -1.409 1.00 2.56 C ATOM 1203 CE1 PHE A 77 5.610 6.259 0.744 1.00 3.77 C ATOM 1204 CE2 PHE A 77 3.671 7.191 -0.284 1.00 3.67 C ATOM 1205 CZ PHE A 77 4.271 6.576 0.795 1.00 4.15 C ATOM 0 H PHE A 77 8.390 7.621 -4.333 1.00 0.41 H new ATOM 0 HA PHE A 77 7.572 5.607 -2.639 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.375 8.156 -2.426 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.924 8.040 -3.403 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.394 6.308 -0.419 1.00 2.66 H new ATOM 0 HD2 PHE A 77 3.932 7.966 -2.251 1.00 2.56 H new ATOM 0 HE1 PHE A 77 6.084 5.777 1.586 1.00 3.77 H new ATOM 0 HE2 PHE A 77 2.621 7.442 -0.247 1.00 3.67 H new ATOM 0 HZ PHE A 77 3.692 6.344 1.677 1.00 4.15 H new ATOM 1215 N SER A 78 5.527 6.026 -5.170 1.00 0.39 N ATOM 1216 CA SER A 78 4.450 5.426 -5.937 1.00 0.38 C ATOM 1217 C SER A 78 4.801 3.995 -6.335 1.00 0.38 C ATOM 1218 O SER A 78 3.946 3.108 -6.364 1.00 0.44 O ATOM 1219 CB SER A 78 4.217 6.265 -7.184 1.00 0.45 C ATOM 1220 OG SER A 78 4.653 7.601 -6.974 1.00 1.31 O ATOM 0 H SER A 78 5.898 6.884 -5.578 1.00 0.39 H new ATOM 0 HA SER A 78 3.547 5.396 -5.327 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.753 5.830 -8.028 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.158 6.258 -7.441 1.00 0.45 H new ATOM 0 HG SER A 78 5.585 7.690 -7.262 1.00 1.31 H new ATOM 1226 N GLU A 79 6.076 3.774 -6.607 1.00 0.36 N ATOM 1227 CA GLU A 79 6.548 2.476 -7.061 1.00 0.42 C ATOM 1228 C GLU A 79 6.876 1.577 -5.878 1.00 0.33 C ATOM 1229 O GLU A 79 6.761 0.358 -5.959 1.00 0.33 O ATOM 1230 CB GLU A 79 7.761 2.645 -7.956 1.00 0.51 C ATOM 1231 CG GLU A 79 7.477 3.488 -9.185 1.00 0.64 C ATOM 1232 CD GLU A 79 6.376 2.916 -10.061 1.00 1.81 C ATOM 1233 OE1 GLU A 79 6.655 1.984 -10.842 1.00 2.54 O ATOM 1234 OE2 GLU A 79 5.227 3.406 -9.981 1.00 2.57 O ATOM 0 H GLU A 79 6.807 4.481 -6.521 1.00 0.36 H new ATOM 0 HA GLU A 79 5.753 2.000 -7.636 1.00 0.42 H new ATOM 0 HB2 GLU A 79 8.566 3.106 -7.384 1.00 0.51 H new ATOM 0 HB3 GLU A 79 8.114 1.663 -8.270 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.197 4.494 -8.871 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.390 3.580 -9.773 1.00 0.64 H new ATOM 1241 N PHE A 80 7.284 2.187 -4.778 1.00 0.28 N ATOM 1242 CA PHE A 80 7.447 1.475 -3.522 1.00 0.25 C ATOM 1243 C PHE A 80 6.094 0.951 -3.060 1.00 0.23 C ATOM 1244 O PHE A 80 5.996 -0.073 -2.393 1.00 0.26 O ATOM 1245 CB PHE A 80 8.046 2.401 -2.463 1.00 0.31 C ATOM 1246 CG PHE A 80 8.182 1.776 -1.103 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.223 0.907 -0.825 1.00 1.60 C ATOM 1248 CD2 PHE A 80 7.266 2.060 -0.103 1.00 1.26 C ATOM 1249 CE1 PHE A 80 9.348 0.331 0.425 1.00 1.98 C ATOM 1250 CE2 PHE A 80 7.385 1.489 1.148 1.00 1.56 C ATOM 1251 CZ PHE A 80 8.428 0.622 1.412 1.00 1.64 C ATOM 0 H PHE A 80 7.510 3.181 -4.730 1.00 0.28 H new ATOM 0 HA PHE A 80 8.127 0.636 -3.669 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.029 2.730 -2.799 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.423 3.291 -2.381 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.946 0.677 -1.594 1.00 1.60 H new ATOM 0 HD2 PHE A 80 6.449 2.737 -0.305 1.00 1.26 H new ATOM 0 HE1 PHE A 80 10.164 -0.346 0.629 1.00 1.98 H new ATOM 0 HE2 PHE A 80 6.664 1.719 1.919 1.00 1.56 H new ATOM 0 HZ PHE A 80 8.523 0.173 2.389 1.00 1.64 H new ATOM 1261 N LEU A 81 5.048 1.668 -3.427 1.00 0.25 N ATOM 1262 CA LEU A 81 3.697 1.241 -3.129 1.00 0.26 C ATOM 1263 C LEU A 81 3.252 0.185 -4.116 1.00 0.26 C ATOM 1264 O LEU A 81 2.472 -0.702 -3.779 1.00 0.27 O ATOM 1265 CB LEU A 81 2.753 2.423 -3.163 1.00 0.29 C ATOM 1266 CG LEU A 81 3.127 3.545 -2.200 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.144 4.683 -2.319 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.205 3.026 -0.763 1.00 0.29 C ATOM 0 H LEU A 81 5.110 2.551 -3.933 1.00 0.25 H new ATOM 0 HA LEU A 81 3.680 0.811 -2.127 1.00 0.26 H new ATOM 0 HB2 LEU A 81 2.725 2.823 -4.177 1.00 0.29 H new ATOM 0 HB3 LEU A 81 1.746 2.077 -2.928 1.00 0.29 H new ATOM 0 HG LEU A 81 4.115 3.919 -2.468 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.422 5.478 -1.627 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.156 5.069 -3.338 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.143 4.326 -2.078 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.473 3.844 -0.095 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.237 2.620 -0.470 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.961 2.243 -0.699 1.00 0.29 H new ATOM 1280 N ASN A 82 3.748 0.288 -5.341 1.00 0.26 N ATOM 1281 CA ASN A 82 3.551 -0.775 -6.316 1.00 0.26 C ATOM 1282 C ASN A 82 4.192 -2.046 -5.779 1.00 0.23 C ATOM 1283 O ASN A 82 3.687 -3.154 -5.961 1.00 0.25 O ATOM 1284 CB ASN A 82 4.171 -0.414 -7.674 1.00 0.30 C ATOM 1285 CG ASN A 82 3.822 -1.419 -8.759 1.00 0.79 C ATOM 1286 OD1 ASN A 82 4.620 -1.685 -9.657 1.00 1.51 O ATOM 1287 ND2 ASN A 82 2.616 -1.962 -8.704 1.00 1.42 N ATOM 0 H ASN A 82 4.284 1.087 -5.681 1.00 0.26 H new ATOM 0 HA ASN A 82 2.482 -0.920 -6.470 1.00 0.26 H new ATOM 0 HB2 ASN A 82 3.827 0.575 -7.975 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.255 -0.357 -7.571 1.00 0.30 H new ATOM 0 HD21 ASN A 82 2.322 -2.625 -9.421 1.00 1.42 H new ATOM 0 HD22 ASN A 82 1.981 -1.718 -7.944 1.00 1.42 H new ATOM 1294 N LEU A 83 5.322 -1.853 -5.117 1.00 0.23 N ATOM 1295 CA LEU A 83 5.988 -2.904 -4.379 1.00 0.24 C ATOM 1296 C LEU A 83 5.076 -3.465 -3.300 1.00 0.23 C ATOM 1297 O LEU A 83 4.885 -4.677 -3.209 1.00 0.25 O ATOM 1298 CB LEU A 83 7.249 -2.355 -3.735 1.00 0.27 C ATOM 1299 CG LEU A 83 7.810 -3.221 -2.618 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.391 -4.511 -3.174 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.836 -2.458 -1.801 1.00 0.36 C ATOM 0 H LEU A 83 5.803 -0.954 -5.079 1.00 0.23 H new ATOM 0 HA LEU A 83 6.244 -3.704 -5.073 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.012 -2.235 -4.504 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.037 -1.362 -3.338 1.00 0.27 H new ATOM 0 HG LEU A 83 6.991 -3.487 -1.950 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.786 -5.114 -2.357 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.610 -5.068 -3.692 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.194 -4.277 -3.873 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.221 -3.100 -1.009 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.657 -2.146 -2.447 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.368 -1.578 -1.359 1.00 0.36 H new ATOM 1313 N ILE A 84 4.530 -2.571 -2.475 1.00 0.24 N ATOM 1314 CA ILE A 84 3.564 -2.956 -1.452 1.00 0.26 C ATOM 1315 C ILE A 84 2.419 -3.741 -2.084 1.00 0.27 C ATOM 1316 O ILE A 84 1.846 -4.625 -1.457 1.00 0.29 O ATOM 1317 CB ILE A 84 3.045 -1.717 -0.668 1.00 0.29 C ATOM 1318 CG1 ILE A 84 3.822 -1.555 0.643 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.549 -1.804 -0.383 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.306 -1.331 0.457 1.00 0.62 C ATOM 0 H ILE A 84 4.743 -1.574 -2.497 1.00 0.24 H new ATOM 0 HA ILE A 84 4.063 -3.601 -0.729 1.00 0.26 H new ATOM 0 HB ILE A 84 3.209 -0.842 -1.297 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.405 -0.715 1.198 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.673 -2.446 1.253 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.231 -0.918 0.166 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.002 -1.863 -1.324 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.343 -2.693 0.213 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.783 -1.226 1.431 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.739 -2.181 -0.069 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.467 -0.424 -0.125 1.00 0.62 H new ATOM 1332 N GLY A 85 2.123 -3.432 -3.339 1.00 0.26 N ATOM 1333 CA GLY A 85 1.175 -4.214 -4.091 1.00 0.29 C ATOM 1334 C GLY A 85 1.622 -5.655 -4.229 1.00 0.29 C ATOM 1335 O GLY A 85 0.933 -6.557 -3.781 1.00 0.33 O ATOM 0 H GLY A 85 2.528 -2.647 -3.849 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.203 -4.180 -3.599 1.00 0.29 H new ATOM 0 HA3 GLY A 85 1.046 -3.776 -5.081 1.00 0.29 H new ATOM 1339 N GLY A 86 2.821 -5.866 -4.766 1.00 0.28 N ATOM 1340 CA GLY A 86 3.281 -7.219 -5.053 1.00 0.31 C ATOM 1341 C GLY A 86 3.513 -8.006 -3.785 1.00 0.29 C ATOM 1342 O GLY A 86 3.463 -9.237 -3.772 1.00 0.35 O ATOM 0 H GLY A 86 3.482 -5.128 -5.008 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.544 -7.732 -5.671 1.00 0.31 H new ATOM 0 HA3 GLY A 86 4.205 -7.176 -5.630 1.00 0.31 H new ATOM 1346 N LEU A 87 3.758 -7.269 -2.721 1.00 0.25 N ATOM 1347 CA LEU A 87 3.935 -7.826 -1.395 1.00 0.25 C ATOM 1348 C LEU A 87 2.592 -8.241 -0.815 1.00 0.26 C ATOM 1349 O LEU A 87 2.344 -9.418 -0.541 1.00 0.29 O ATOM 1350 CB LEU A 87 4.550 -6.758 -0.501 1.00 0.25 C ATOM 1351 CG LEU A 87 6.020 -6.437 -0.747 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.372 -5.113 -0.097 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.909 -7.536 -0.195 1.00 0.35 C ATOM 0 H LEU A 87 3.841 -6.253 -2.753 1.00 0.25 H new ATOM 0 HA LEU A 87 4.582 -8.701 -1.453 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.975 -5.840 -0.619 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.437 -7.073 0.536 1.00 0.25 H new ATOM 0 HG LEU A 87 6.185 -6.368 -1.822 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.423 -4.888 -0.276 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.754 -4.323 -0.524 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.192 -5.175 0.976 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.954 -7.287 -0.381 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.745 -7.632 0.878 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.668 -8.479 -0.685 1.00 0.35 H new ATOM 1365 N ALA A 88 1.716 -7.255 -0.672 1.00 0.25 N ATOM 1366 CA ALA A 88 0.409 -7.450 -0.071 1.00 0.27 C ATOM 1367 C ALA A 88 -0.391 -8.479 -0.819 1.00 0.30 C ATOM 1368 O ALA A 88 -1.056 -9.311 -0.225 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.369 -6.159 -0.072 1.00 0.27 C ATOM 0 H ALA A 88 1.895 -6.296 -0.971 1.00 0.25 H new ATOM 0 HA ALA A 88 0.575 -7.793 0.950 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.346 -6.323 0.382 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.175 -5.406 0.499 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.499 -5.813 -1.098 1.00 0.27 H new ATOM 1375 N MET A 89 -0.332 -8.393 -2.130 1.00 0.29 N ATOM 1376 CA MET A 89 -1.086 -9.270 -2.997 1.00 0.33 C ATOM 1377 C MET A 89 -0.756 -10.726 -2.732 1.00 0.34 C ATOM 1378 O MET A 89 -1.631 -11.586 -2.778 1.00 0.39 O ATOM 1379 CB MET A 89 -0.800 -8.921 -4.448 1.00 0.35 C ATOM 1380 CG MET A 89 -1.440 -7.618 -4.885 1.00 0.42 C ATOM 1381 SD MET A 89 -1.060 -7.217 -6.605 1.00 1.03 S ATOM 1382 CE MET A 89 -1.551 -8.727 -7.440 1.00 1.89 C ATOM 0 H MET A 89 0.242 -7.711 -2.625 1.00 0.29 H new ATOM 0 HA MET A 89 -2.147 -9.128 -2.791 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.278 -8.856 -4.594 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.160 -9.728 -5.087 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.521 -7.685 -4.759 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.094 -6.810 -4.240 1.00 0.42 H new ATOM 0 HE1 MET A 89 -1.749 -8.514 -8.491 1.00 1.89 H new ATOM 0 HE2 MET A 89 -0.750 -9.462 -7.363 1.00 1.89 H new ATOM 0 HE3 MET A 89 -2.453 -9.123 -6.974 1.00 1.89 H new ATOM 1392 N ALA A 90 0.505 -10.987 -2.428 1.00 0.34 N ATOM 1393 CA ALA A 90 0.957 -12.339 -2.147 1.00 0.40 C ATOM 1394 C ALA A 90 0.454 -12.803 -0.784 1.00 0.42 C ATOM 1395 O ALA A 90 0.000 -13.936 -0.628 1.00 0.49 O ATOM 1396 CB ALA A 90 2.474 -12.400 -2.208 1.00 0.46 C ATOM 0 H ALA A 90 1.236 -10.278 -2.370 1.00 0.34 H new ATOM 0 HA ALA A 90 0.548 -13.010 -2.902 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.806 -13.416 -1.996 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.810 -12.108 -3.203 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.896 -11.719 -1.468 1.00 0.46 H new ATOM 1402 N CYS A 91 0.515 -11.907 0.192 1.00 0.41 N ATOM 1403 CA CYS A 91 0.083 -12.210 1.551 1.00 0.47 C ATOM 1404 C CYS A 91 -1.439 -12.275 1.653 1.00 0.45 C ATOM 1405 O CYS A 91 -1.984 -13.007 2.478 1.00 0.51 O ATOM 1406 CB CYS A 91 0.644 -11.161 2.513 1.00 0.55 C ATOM 1407 SG CYS A 91 2.449 -11.143 2.599 1.00 1.76 S ATOM 0 H CYS A 91 0.863 -10.956 0.066 1.00 0.41 H new ATOM 0 HA CYS A 91 0.468 -13.192 1.824 1.00 0.47 H new ATOM 0 HB2 CYS A 91 0.294 -10.175 2.206 1.00 0.55 H new ATOM 0 HB3 CYS A 91 0.244 -11.345 3.510 1.00 0.55 H new ATOM 0 HG CYS A 91 2.835 -10.224 3.434 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.121 -11.513 0.813 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.574 -11.526 0.763 1.00 0.46 C ATOM 1415 C HIS A 92 -4.045 -12.753 0.009 1.00 0.45 C ATOM 1416 O HIS A 92 -5.048 -13.359 0.363 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.107 -10.260 0.092 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.605 -10.196 0.012 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.533 -9.884 0.948 1.00 2.13 N flip ATOM 1420 CD2 HIS A 92 -6.306 -10.466 -1.140 1.00 1.96 C flip ATOM 1421 CE1 HIS A 92 -7.764 -9.972 0.347 1.00 2.74 C flip ATOM 1422 NE2 HIS A 92 -7.595 -10.324 -0.914 1.00 2.62 N flip ATOM 0 H HIS A 92 -1.686 -10.871 0.150 1.00 0.41 H new ATOM 0 HA HIS A 92 -3.958 -11.557 1.783 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.745 -9.390 0.641 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.696 -10.195 -0.916 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -6.351 -9.631 1.919 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -5.867 -10.751 -2.085 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.713 -9.784 0.826 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.318 -13.104 -1.037 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.567 -14.346 -1.753 1.00 0.52 C ATOM 1433 C ASP A 93 -3.386 -15.513 -0.793 1.00 0.56 C ATOM 1434 O ASP A 93 -4.182 -16.447 -0.766 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.610 -14.468 -2.938 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.839 -15.727 -3.748 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.695 -15.706 -4.655 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -2.150 -16.736 -3.494 1.00 1.48 O ATOM 0 H ASP A 93 -2.550 -12.547 -1.411 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.586 -14.354 -2.139 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.727 -13.599 -3.585 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.583 -14.458 -2.573 1.00 0.54 H new ATOM 1443 N SER A 94 -2.349 -15.413 0.028 1.00 0.54 N ATOM 1444 CA SER A 94 -2.085 -16.379 1.081 1.00 0.60 C ATOM 1445 C SER A 94 -3.235 -16.382 2.075 1.00 0.63 C ATOM 1446 O SER A 94 -3.659 -17.427 2.546 1.00 0.70 O ATOM 1447 CB SER A 94 -0.797 -16.009 1.810 1.00 0.65 C ATOM 1448 OG SER A 94 -0.340 -17.070 2.630 1.00 1.27 O ATOM 0 H SER A 94 -1.666 -14.657 -0.019 1.00 0.54 H new ATOM 0 HA SER A 94 -1.982 -17.369 0.636 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.027 -15.753 1.082 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.966 -15.122 2.421 1.00 0.65 H new ATOM 0 HG SER A 94 0.487 -16.801 3.082 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.723 -15.188 2.381 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.848 -14.996 3.282 1.00 0.66 C ATOM 1456 C PHE A 95 -6.064 -15.757 2.770 1.00 0.72 C ATOM 1457 O PHE A 95 -6.805 -16.354 3.539 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.150 -13.500 3.374 1.00 0.64 C ATOM 1459 CG PHE A 95 -6.207 -13.125 4.365 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -6.017 -13.335 5.721 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -7.384 -12.535 3.940 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -6.985 -12.965 6.633 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -8.356 -12.166 4.846 1.00 2.35 C ATOM 1464 CZ PHE A 95 -8.157 -12.380 6.193 1.00 2.08 C ATOM 0 H PHE A 95 -3.345 -14.318 2.007 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.602 -15.379 4.272 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.230 -12.975 3.631 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.455 -13.146 2.389 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.102 -13.793 6.068 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -7.543 -12.361 2.886 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -6.827 -13.132 7.688 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -9.272 -11.710 4.501 1.00 2.35 H new ATOM 0 HZ PHE A 95 -8.917 -12.091 6.904 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.237 -15.741 1.457 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.313 -16.474 0.802 1.00 0.81 C ATOM 1476 C LEU A 96 -7.081 -17.970 0.924 1.00 0.90 C ATOM 1477 O LEU A 96 -8.000 -18.739 1.208 1.00 1.09 O ATOM 1478 CB LEU A 96 -7.390 -16.085 -0.676 1.00 0.83 C ATOM 1479 CG LEU A 96 -8.285 -14.885 -1.015 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -9.751 -15.269 -0.920 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -7.996 -13.704 -0.103 1.00 1.08 C ATOM 0 H LEU A 96 -5.638 -15.221 0.816 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.254 -16.219 1.290 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -6.381 -15.870 -1.027 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -7.746 -16.948 -1.239 1.00 0.83 H new ATOM 0 HG LEU A 96 -8.062 -14.586 -2.039 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -10.370 -14.405 -1.164 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -9.962 -16.076 -1.622 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -9.975 -15.601 0.094 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.646 -12.871 -0.369 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -8.179 -13.991 0.933 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -6.955 -13.402 -0.217 1.00 1.08 H new ATOM 1493 N LYS A 97 -5.838 -18.364 0.716 1.00 0.83 N ATOM 1494 CA LYS A 97 -5.448 -19.763 0.765 1.00 0.93 C ATOM 1495 C LYS A 97 -5.470 -20.284 2.198 1.00 0.97 C ATOM 1496 O LYS A 97 -5.656 -21.477 2.440 1.00 1.12 O ATOM 1497 CB LYS A 97 -4.057 -19.919 0.156 1.00 0.93 C ATOM 1498 CG LYS A 97 -3.999 -19.426 -1.278 1.00 0.99 C ATOM 1499 CD LYS A 97 -4.842 -20.278 -2.215 1.00 1.25 C ATOM 1500 CE LYS A 97 -4.187 -21.616 -2.500 1.00 2.06 C ATOM 1501 NZ LYS A 97 -2.929 -21.458 -3.274 1.00 2.65 N ATOM 0 H LYS A 97 -5.071 -17.725 0.509 1.00 0.83 H new ATOM 0 HA LYS A 97 -6.162 -20.352 0.189 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -3.335 -19.367 0.758 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -3.763 -20.968 0.190 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -4.345 -18.393 -1.319 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -2.964 -19.429 -1.620 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -5.825 -20.441 -1.773 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -4.998 -19.743 -3.152 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -3.974 -22.125 -1.560 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -4.879 -22.249 -3.055 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -2.681 -22.363 -3.723 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -3.061 -20.733 -4.008 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -2.162 -21.167 -2.634 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.280 -19.373 3.140 1.00 0.99 N ATOM 1516 CA ALA A 98 -5.231 -19.712 4.550 1.00 1.06 C ATOM 1517 C ALA A 98 -6.617 -19.659 5.182 1.00 1.09 C ATOM 1518 O ALA A 98 -7.170 -20.687 5.570 1.00 1.23 O ATOM 1519 CB ALA A 98 -4.278 -18.776 5.280 1.00 1.00 C ATOM 0 H ALA A 98 -5.156 -18.379 2.947 1.00 0.99 H new ATOM 0 HA ALA A 98 -4.864 -20.734 4.640 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -4.249 -19.039 6.337 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -3.279 -18.870 4.855 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.623 -17.748 5.171 1.00 1.00 H new ATOM 1525 N VAL A 99 -7.174 -18.455 5.257 1.00 1.00 N ATOM 1526 CA VAL A 99 -8.468 -18.228 5.888 1.00 1.06 C ATOM 1527 C VAL A 99 -8.867 -16.753 5.753 1.00 1.00 C ATOM 1528 O VAL A 99 -8.545 -15.912 6.594 1.00 1.01 O ATOM 1529 CB VAL A 99 -8.470 -18.672 7.375 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -7.339 -18.018 8.161 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -9.817 -18.385 8.021 1.00 1.24 C ATOM 0 H VAL A 99 -6.742 -17.611 4.883 1.00 1.00 H new ATOM 0 HA VAL A 99 -9.207 -18.841 5.372 1.00 1.06 H new ATOM 0 HB VAL A 99 -8.300 -19.749 7.396 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -7.374 -18.354 9.197 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -6.381 -18.297 7.721 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -7.451 -16.934 8.127 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -9.796 -18.704 9.063 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -10.023 -17.316 7.973 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -10.598 -18.929 7.490 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.587 -16.417 4.680 1.00 1.00 N ATOM 1542 CA PRO A 100 -9.895 -15.039 4.344 1.00 1.02 C ATOM 1543 C PRO A 100 -11.151 -14.520 5.033 1.00 1.28 C ATOM 1544 O PRO A 100 -11.827 -13.626 4.528 1.00 1.60 O ATOM 1545 CB PRO A 100 -10.067 -15.090 2.833 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.524 -16.484 2.526 1.00 1.03 C ATOM 1547 CD PRO A 100 -10.162 -17.355 3.707 1.00 1.06 C ATOM 0 HA PRO A 100 -9.118 -14.351 4.676 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.798 -14.355 2.497 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -9.130 -14.864 2.324 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.600 -16.504 2.351 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -10.046 -16.852 1.618 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -11.038 -17.862 4.112 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -9.446 -18.128 3.428 1.00 1.06 H new ATOM 1555 N SER A 101 -11.456 -15.085 6.189 1.00 1.57 N ATOM 1556 CA SER A 101 -12.539 -14.585 7.016 1.00 1.88 C ATOM 1557 C SER A 101 -11.976 -13.679 8.107 1.00 1.62 C ATOM 1558 O SER A 101 -12.721 -13.061 8.870 1.00 1.94 O ATOM 1559 CB SER A 101 -13.320 -15.747 7.632 1.00 2.76 C ATOM 1560 OG SER A 101 -13.822 -16.611 6.623 1.00 3.39 O ATOM 0 H SER A 101 -10.967 -15.892 6.576 1.00 1.57 H new ATOM 0 HA SER A 101 -13.224 -14.007 6.395 1.00 1.88 H new ATOM 0 HB2 SER A 101 -12.674 -16.307 8.308 1.00 2.76 H new ATOM 0 HB3 SER A 101 -14.146 -15.360 8.229 1.00 2.76 H new ATOM 0 HG SER A 101 -14.316 -17.348 7.039 1.00 3.39 H new ATOM 1566 N GLN A 102 -10.639 -13.617 8.147 1.00 1.61 N ATOM 1567 CA GLN A 102 -9.891 -12.801 9.105 1.00 2.12 C ATOM 1568 C GLN A 102 -9.988 -13.364 10.516 1.00 2.74 C ATOM 1569 O GLN A 102 -11.069 -13.461 11.093 1.00 3.39 O ATOM 1570 CB GLN A 102 -10.354 -11.339 9.080 1.00 2.47 C ATOM 1571 CG GLN A 102 -9.641 -10.459 10.095 1.00 3.02 C ATOM 1572 CD GLN A 102 -10.046 -9.003 10.002 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -11.164 -8.678 9.601 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -9.140 -8.117 10.381 1.00 4.44 N ATOM 0 H GLN A 102 -10.041 -14.139 7.506 1.00 1.61 H new ATOM 0 HA GLN A 102 -8.845 -12.832 8.799 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -10.193 -10.932 8.082 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -11.427 -11.303 9.270 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -9.853 -10.826 11.099 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -8.564 -10.541 9.947 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -8.226 -8.430 10.707 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -9.356 -7.121 10.348 1.00 4.44 H new ATOM 1583 N LYS A 103 -8.848 -13.748 11.060 1.00 3.15 N ATOM 1584 CA LYS A 103 -8.781 -14.216 12.431 1.00 4.06 C ATOM 1585 C LYS A 103 -8.258 -13.104 13.323 1.00 4.57 C ATOM 1586 O LYS A 103 -7.080 -13.081 13.685 1.00 5.24 O ATOM 1587 CB LYS A 103 -7.885 -15.451 12.545 1.00 4.73 C ATOM 1588 CG LYS A 103 -8.396 -16.653 11.767 1.00 5.30 C ATOM 1589 CD LYS A 103 -7.466 -17.850 11.911 1.00 6.25 C ATOM 1590 CE LYS A 103 -7.392 -18.347 13.348 1.00 6.82 C ATOM 1591 NZ LYS A 103 -8.712 -18.821 13.843 1.00 7.43 N ATOM 0 H LYS A 103 -7.953 -13.745 10.571 1.00 3.15 H new ATOM 0 HA LYS A 103 -9.784 -14.497 12.753 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -6.886 -15.198 12.190 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -7.790 -15.724 13.596 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -9.392 -16.920 12.121 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -8.492 -16.391 10.713 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -7.812 -18.657 11.266 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -6.467 -17.576 11.571 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -6.667 -19.159 13.414 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -7.031 -17.544 13.991 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -8.583 -19.333 14.739 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -9.338 -18.005 13.998 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -9.139 -19.456 13.139 1.00 7.43 H new ATOM 1605 N ARG A 104 -9.135 -12.168 13.654 1.00 4.68 N ATOM 1606 CA ARG A 104 -8.766 -11.045 14.498 1.00 5.53 C ATOM 1607 C ARG A 104 -8.496 -11.522 15.919 1.00 5.66 C ATOM 1608 O ARG A 104 -9.398 -11.995 16.613 1.00 5.96 O ATOM 1609 CB ARG A 104 -9.866 -9.981 14.489 1.00 6.11 C ATOM 1610 CG ARG A 104 -9.545 -8.764 15.343 1.00 6.81 C ATOM 1611 CD ARG A 104 -10.636 -7.709 15.249 1.00 7.63 C ATOM 1612 NE ARG A 104 -11.941 -8.220 15.673 1.00 8.13 N ATOM 1613 CZ ARG A 104 -13.068 -7.506 15.640 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -13.051 -6.245 15.223 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -14.211 -8.053 16.028 1.00 9.59 N ATOM 0 H ARG A 104 -10.109 -12.165 13.350 1.00 4.68 H new ATOM 0 HA ARG A 104 -7.855 -10.597 14.102 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -10.039 -9.658 13.462 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -10.795 -10.428 14.843 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -9.423 -9.070 16.382 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -8.595 -8.335 15.023 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -10.365 -6.853 15.867 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -10.705 -7.351 14.222 1.00 7.63 H new ATOM 0 HE ARG A 104 -11.992 -9.180 16.014 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -12.174 -5.818 14.926 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -13.915 -5.704 15.200 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -14.230 -9.020 16.352 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -15.072 -7.507 16.003 1.00 9.59 H new ATOM 1629 N THR A 105 -7.245 -11.429 16.328 1.00 5.79 N ATOM 1630 CA THR A 105 -6.849 -11.819 17.665 1.00 6.20 C ATOM 1631 C THR A 105 -5.903 -10.774 18.248 1.00 6.46 C ATOM 1632 O THR A 105 -6.396 -9.806 18.865 1.00 6.80 O ATOM 1633 CB THR A 105 -6.171 -13.206 17.657 1.00 6.59 C ATOM 1634 OG1 THR A 105 -6.999 -14.149 16.955 1.00 6.66 O ATOM 1635 CG2 THR A 105 -5.930 -13.705 19.076 1.00 7.00 C ATOM 1636 OXT THR A 105 -4.676 -10.903 18.061 1.00 6.62 O ATOM 0 H THR A 105 -6.481 -11.084 15.747 1.00 5.79 H new ATOM 0 HA THR A 105 -7.742 -11.883 18.286 1.00 6.20 H new ATOM 0 HB THR A 105 -5.209 -13.111 17.153 1.00 6.59 H new ATOM 0 HG1 THR A 105 -6.564 -15.027 16.951 1.00 6.66 H new ATOM 0 HG21 THR A 105 -5.452 -14.684 19.041 1.00 7.00 H new ATOM 0 HG22 THR A 105 -5.284 -13.004 19.603 1.00 7.00 H new ATOM 0 HG23 THR A 105 -6.882 -13.785 19.600 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 18.383 -15.193 15.796 1.00 7.64 N ATOM 1646 CA MET B 1 18.674 -16.631 16.001 1.00 7.05 C ATOM 1647 C MET B 1 17.593 -17.493 15.357 1.00 6.85 C ATOM 1648 O MET B 1 17.839 -18.165 14.355 1.00 7.13 O ATOM 1649 CB MET B 1 18.776 -16.952 17.496 1.00 7.11 C ATOM 1650 CG MET B 1 19.102 -18.410 17.785 1.00 7.39 C ATOM 1651 SD MET B 1 19.138 -18.784 19.550 1.00 7.66 S ATOM 1652 CE MET B 1 17.432 -18.464 20.001 1.00 7.91 C ATOM 0 H1 MET B 1 19.129 -14.621 16.241 1.00 7.64 H new ATOM 0 H2 MET B 1 18.350 -14.987 14.777 1.00 7.64 H new ATOM 0 H3 MET B 1 17.465 -14.960 16.226 1.00 7.64 H new ATOM 0 HA MET B 1 19.630 -16.855 15.528 1.00 7.05 H new ATOM 0 HB2 MET B 1 19.544 -16.321 17.943 1.00 7.11 H new ATOM 0 HB3 MET B 1 17.833 -16.697 17.979 1.00 7.11 H new ATOM 0 HG2 MET B 1 18.362 -19.046 17.299 1.00 7.39 H new ATOM 0 HG3 MET B 1 20.070 -18.655 17.347 1.00 7.39 H new ATOM 0 HE1 MET B 1 17.197 -18.986 20.929 1.00 7.91 H new ATOM 0 HE2 MET B 1 17.287 -17.393 20.140 1.00 7.91 H new ATOM 0 HE3 MET B 1 16.773 -18.819 19.208 1.00 7.91 H new ATOM 1664 N ALA B 2 16.397 -17.467 15.931 1.00 6.68 N ATOM 1665 CA ALA B 2 15.290 -18.273 15.439 1.00 6.74 C ATOM 1666 C ALA B 2 13.960 -17.634 15.812 1.00 6.15 C ATOM 1667 O ALA B 2 13.929 -16.642 16.544 1.00 6.28 O ATOM 1668 CB ALA B 2 15.377 -19.685 16.001 1.00 7.32 C ATOM 0 H ALA B 2 16.169 -16.892 16.742 1.00 6.68 H new ATOM 0 HA ALA B 2 15.354 -18.326 14.352 1.00 6.74 H new ATOM 0 HB1 ALA B 2 14.543 -20.278 15.625 1.00 7.32 H new ATOM 0 HB2 ALA B 2 16.316 -20.143 15.691 1.00 7.32 H new ATOM 0 HB3 ALA B 2 15.334 -19.647 17.089 1.00 7.32 H new ATOM 1674 N LYS B 3 12.873 -18.208 15.298 1.00 5.79 N ATOM 1675 CA LYS B 3 11.519 -17.734 15.584 1.00 5.53 C ATOM 1676 C LYS B 3 11.364 -16.261 15.207 1.00 5.00 C ATOM 1677 O LYS B 3 10.868 -15.449 15.993 1.00 5.14 O ATOM 1678 CB LYS B 3 11.176 -17.943 17.063 1.00 6.01 C ATOM 1679 CG LYS B 3 11.236 -19.398 17.509 1.00 6.28 C ATOM 1680 CD LYS B 3 10.204 -20.250 16.789 1.00 6.97 C ATOM 1681 CE LYS B 3 10.244 -21.695 17.262 1.00 7.46 C ATOM 1682 NZ LYS B 3 9.996 -21.812 18.725 1.00 7.93 N ATOM 0 H LYS B 3 12.906 -19.013 14.673 1.00 5.79 H new ATOM 0 HA LYS B 3 10.824 -18.316 14.979 1.00 5.53 H new ATOM 0 HB2 LYS B 3 11.865 -17.357 17.672 1.00 6.01 H new ATOM 0 HB3 LYS B 3 10.175 -17.556 17.252 1.00 6.01 H new ATOM 0 HG2 LYS B 3 12.233 -19.796 17.319 1.00 6.28 H new ATOM 0 HG3 LYS B 3 11.069 -19.456 18.585 1.00 6.28 H new ATOM 0 HD2 LYS B 3 9.209 -19.838 16.958 1.00 6.97 H new ATOM 0 HD3 LYS B 3 10.386 -20.213 15.715 1.00 6.97 H new ATOM 0 HE2 LYS B 3 9.496 -22.274 16.720 1.00 7.46 H new ATOM 0 HE3 LYS B 3 11.216 -22.127 17.024 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 9.797 -22.804 18.965 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 10.837 -21.492 19.246 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 9.181 -21.222 18.987 1.00 7.93 H new ATOM 1696 N ILE B 4 11.785 -15.927 13.997 1.00 4.75 N ATOM 1697 CA ILE B 4 11.735 -14.553 13.520 1.00 4.41 C ATOM 1698 C ILE B 4 10.419 -14.273 12.798 1.00 3.66 C ATOM 1699 O ILE B 4 10.394 -13.701 11.706 1.00 3.91 O ATOM 1700 CB ILE B 4 12.926 -14.230 12.593 1.00 5.15 C ATOM 1701 CG1 ILE B 4 13.021 -15.251 11.450 1.00 5.78 C ATOM 1702 CG2 ILE B 4 14.220 -14.197 13.394 1.00 5.59 C ATOM 1703 CD1 ILE B 4 14.135 -14.964 10.467 1.00 6.54 C ATOM 0 H ILE B 4 12.167 -16.592 13.324 1.00 4.75 H new ATOM 0 HA ILE B 4 11.801 -13.906 14.395 1.00 4.41 H new ATOM 0 HB ILE B 4 12.764 -13.247 12.152 1.00 5.15 H new ATOM 0 HG12 ILE B 4 13.170 -16.244 11.874 1.00 5.78 H new ATOM 0 HG13 ILE B 4 12.072 -15.272 10.914 1.00 5.78 H new ATOM 0 HG21 ILE B 4 15.053 -13.968 12.730 1.00 5.59 H new ATOM 0 HG22 ILE B 4 14.151 -13.431 14.166 1.00 5.59 H new ATOM 0 HG23 ILE B 4 14.384 -15.168 13.861 1.00 5.59 H new ATOM 0 HD11 ILE B 4 14.139 -15.727 9.689 1.00 6.54 H new ATOM 0 HD12 ILE B 4 13.977 -13.985 10.014 1.00 6.54 H new ATOM 0 HD13 ILE B 4 15.092 -14.973 10.989 1.00 6.54 H new ATOM 1715 N SER B 5 9.319 -14.666 13.426 1.00 3.24 N ATOM 1716 CA SER B 5 7.992 -14.447 12.872 1.00 2.93 C ATOM 1717 C SER B 5 7.467 -13.067 13.261 1.00 2.01 C ATOM 1718 O SER B 5 6.259 -12.843 13.354 1.00 2.25 O ATOM 1719 CB SER B 5 7.046 -15.542 13.359 1.00 3.70 C ATOM 1720 OG SER B 5 7.212 -15.779 14.750 1.00 4.46 O ATOM 0 H SER B 5 9.322 -15.142 14.328 1.00 3.24 H new ATOM 0 HA SER B 5 8.050 -14.488 11.784 1.00 2.93 H new ATOM 0 HB2 SER B 5 6.015 -15.253 13.157 1.00 3.70 H new ATOM 0 HB3 SER B 5 7.233 -16.462 12.805 1.00 3.70 H new ATOM 0 HG SER B 5 6.594 -16.483 15.038 1.00 4.46 H new ATOM 1726 N SER B 6 8.391 -12.151 13.499 1.00 1.51 N ATOM 1727 CA SER B 6 8.053 -10.784 13.836 1.00 1.03 C ATOM 1728 C SER B 6 7.878 -9.972 12.558 1.00 0.82 C ATOM 1729 O SER B 6 8.696 -10.064 11.641 1.00 0.86 O ATOM 1730 CB SER B 6 9.158 -10.178 14.702 1.00 1.67 C ATOM 1731 OG SER B 6 9.460 -11.019 15.808 1.00 2.25 O ATOM 0 H SER B 6 9.393 -12.336 13.463 1.00 1.51 H new ATOM 0 HA SER B 6 7.118 -10.767 14.397 1.00 1.03 H new ATOM 0 HB2 SER B 6 10.054 -10.027 14.100 1.00 1.67 H new ATOM 0 HB3 SER B 6 8.846 -9.197 15.061 1.00 1.67 H new ATOM 0 HG SER B 6 10.170 -10.610 16.345 1.00 2.25 H new ATOM 1737 N PRO B 7 6.800 -9.184 12.469 1.00 0.70 N ATOM 1738 CA PRO B 7 6.510 -8.381 11.288 1.00 0.54 C ATOM 1739 C PRO B 7 7.252 -7.053 11.312 1.00 0.45 C ATOM 1740 O PRO B 7 7.973 -6.739 12.262 1.00 0.57 O ATOM 1741 CB PRO B 7 5.010 -8.151 11.426 1.00 0.62 C ATOM 1742 CG PRO B 7 4.839 -7.981 12.890 1.00 0.75 C ATOM 1743 CD PRO B 7 5.769 -8.992 13.514 1.00 0.82 C ATOM 0 HA PRO B 7 6.812 -8.861 10.357 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.683 -7.269 10.875 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.434 -8.995 11.046 1.00 0.62 H new ATOM 0 HG2 PRO B 7 5.092 -6.968 13.201 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.806 -8.158 13.190 1.00 0.75 H new ATOM 0 HD2 PRO B 7 6.201 -8.623 14.444 1.00 0.82 H new ATOM 0 HD3 PRO B 7 5.254 -9.923 13.749 1.00 0.82 H new ATOM 1751 N THR B 8 7.060 -6.274 10.272 1.00 0.34 N ATOM 1752 CA THR B 8 7.665 -4.965 10.174 1.00 0.27 C ATOM 1753 C THR B 8 6.580 -3.943 9.951 1.00 0.28 C ATOM 1754 O THR B 8 5.420 -4.314 9.793 1.00 0.34 O ATOM 1755 CB THR B 8 8.654 -4.894 9.010 1.00 0.29 C ATOM 1756 OG1 THR B 8 7.937 -4.979 7.773 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.660 -6.020 9.104 1.00 0.33 C ATOM 0 H THR B 8 6.481 -6.529 9.472 1.00 0.34 H new ATOM 0 HA THR B 8 8.206 -4.766 11.099 1.00 0.27 H new ATOM 0 HB THR B 8 9.192 -3.947 9.055 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.570 -4.947 7.025 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.357 -5.956 8.268 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.209 -5.940 10.042 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.139 -6.977 9.069 1.00 0.33 H new ATOM 1765 N GLU B 9 6.950 -2.679 9.908 1.00 0.28 N ATOM 1766 CA GLU B 9 5.974 -1.617 9.710 1.00 0.33 C ATOM 1767 C GLU B 9 5.201 -1.845 8.410 1.00 0.36 C ATOM 1768 O GLU B 9 3.983 -1.955 8.424 1.00 0.52 O ATOM 1769 CB GLU B 9 6.652 -0.247 9.696 1.00 0.40 C ATOM 1770 CG GLU B 9 5.666 0.908 9.684 1.00 0.56 C ATOM 1771 CD GLU B 9 4.931 1.070 11.001 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.596 1.237 12.047 1.00 2.48 O ATOM 1773 OE2 GLU B 9 3.687 1.032 10.998 1.00 2.47 O ATOM 0 H GLU B 9 7.914 -2.359 10.007 1.00 0.28 H new ATOM 0 HA GLU B 9 5.272 -1.637 10.544 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.295 -0.158 10.571 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.296 -0.176 8.819 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.198 1.831 9.455 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.941 0.752 8.886 1.00 0.56 H new ATOM 1780 N THR B 10 5.918 -1.980 7.304 1.00 0.26 N ATOM 1781 CA THR B 10 5.288 -2.166 6.001 1.00 0.27 C ATOM 1782 C THR B 10 4.541 -3.489 5.933 1.00 0.27 C ATOM 1783 O THR B 10 3.451 -3.547 5.384 1.00 0.31 O ATOM 1784 CB THR B 10 6.310 -2.071 4.839 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.791 -2.690 3.654 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.637 -2.712 5.220 1.00 0.26 C ATOM 0 H THR B 10 6.938 -1.964 7.281 1.00 0.26 H new ATOM 0 HA THR B 10 4.572 -1.353 5.883 1.00 0.27 H new ATOM 0 HB THR B 10 6.483 -1.014 4.638 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.502 -2.761 2.984 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.333 -2.630 4.386 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.051 -2.202 6.090 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.478 -3.764 5.458 1.00 0.26 H new ATOM 1794 N GLU B 11 5.102 -4.534 6.518 1.00 0.24 N ATOM 1795 CA GLU B 11 4.488 -5.853 6.448 1.00 0.27 C ATOM 1796 C GLU B 11 3.207 -5.930 7.258 1.00 0.30 C ATOM 1797 O GLU B 11 2.217 -6.496 6.806 1.00 0.32 O ATOM 1798 CB GLU B 11 5.472 -6.912 6.878 1.00 0.29 C ATOM 1799 CG GLU B 11 6.448 -7.223 5.777 1.00 0.41 C ATOM 1800 CD GLU B 11 6.053 -8.431 4.952 1.00 1.11 C ATOM 1801 OE1 GLU B 11 4.840 -8.636 4.736 1.00 1.71 O ATOM 1802 OE2 GLU B 11 6.950 -9.180 4.518 1.00 1.85 O ATOM 0 H GLU B 11 5.975 -4.498 7.044 1.00 0.24 H new ATOM 0 HA GLU B 11 4.213 -6.036 5.409 1.00 0.27 H new ATOM 0 HB2 GLU B 11 6.012 -6.573 7.762 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.936 -7.818 7.160 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.535 -6.356 5.122 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.433 -7.394 6.211 1.00 0.41 H new ATOM 1809 N ARG B 12 3.214 -5.340 8.443 1.00 0.35 N ATOM 1810 CA ARG B 12 2.011 -5.306 9.265 1.00 0.42 C ATOM 1811 C ARG B 12 0.990 -4.386 8.624 1.00 0.43 C ATOM 1812 O ARG B 12 -0.210 -4.632 8.675 1.00 0.47 O ATOM 1813 CB ARG B 12 2.323 -4.883 10.712 1.00 0.48 C ATOM 1814 CG ARG B 12 2.859 -3.462 10.891 1.00 0.49 C ATOM 1815 CD ARG B 12 1.766 -2.414 10.782 1.00 0.56 C ATOM 1816 NE ARG B 12 2.150 -1.159 11.421 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.757 -0.788 12.637 1.00 1.34 C ATOM 1818 NH1 ARG B 12 0.953 -1.563 13.356 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.181 0.363 13.133 1.00 1.95 N ATOM 0 H ARG B 12 4.028 -4.883 8.855 1.00 0.35 H new ATOM 0 HA ARG B 12 1.595 -6.312 9.320 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.413 -4.985 11.304 1.00 0.48 H new ATOM 0 HB3 ARG B 12 3.052 -5.580 11.125 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.343 -3.379 11.864 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.622 -3.267 10.138 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.541 -2.232 9.731 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.853 -2.792 11.243 1.00 0.56 H new ATOM 0 HE ARG B 12 2.759 -0.526 10.902 1.00 1.08 H new ATOM 0 HH11 ARG B 12 0.630 -2.453 12.977 1.00 1.86 H new ATOM 0 HH12 ARG B 12 0.659 -1.268 14.287 1.00 1.86 H new ATOM 0 HH21 ARG B 12 2.803 0.957 12.584 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.886 0.657 14.064 1.00 1.95 H new ATOM 1833 N CYS B 13 1.494 -3.332 8.000 1.00 0.42 N ATOM 1834 CA CYS B 13 0.667 -2.363 7.313 1.00 0.44 C ATOM 1835 C CYS B 13 0.053 -2.989 6.077 1.00 0.30 C ATOM 1836 O CYS B 13 -1.073 -2.677 5.694 1.00 0.29 O ATOM 1837 CB CYS B 13 1.519 -1.147 6.966 1.00 0.57 C ATOM 1838 SG CYS B 13 1.759 -0.025 8.356 1.00 2.16 S ATOM 0 H CYS B 13 2.492 -3.128 7.958 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.152 -2.041 7.956 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.492 -1.484 6.608 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.048 -0.604 6.147 1.00 0.57 H new ATOM 0 HG CYS B 13 2.874 -0.313 8.959 1.00 2.16 H new ATOM 1844 N ILE B 14 0.800 -3.899 5.482 1.00 0.26 N ATOM 1845 CA ILE B 14 0.316 -4.694 4.379 1.00 0.24 C ATOM 1846 C ILE B 14 -0.857 -5.565 4.824 1.00 0.21 C ATOM 1847 O ILE B 14 -1.863 -5.690 4.122 1.00 0.23 O ATOM 1848 CB ILE B 14 1.453 -5.576 3.824 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.361 -4.770 2.893 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.908 -6.803 3.115 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.639 -5.492 2.552 1.00 0.27 C ATOM 0 H ILE B 14 1.761 -4.105 5.753 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.029 -4.024 3.591 1.00 0.24 H new ATOM 0 HB ILE B 14 2.048 -5.920 4.670 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.821 -4.543 1.974 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.602 -3.817 3.364 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.736 -7.402 2.736 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.321 -7.397 3.815 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.275 -6.492 2.284 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.242 -4.871 1.889 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.197 -5.695 3.466 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.404 -6.433 2.054 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.733 -6.127 6.018 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.749 -7.007 6.559 1.00 0.28 C ATOM 1865 C GLU B 15 -2.923 -6.191 7.013 1.00 0.30 C ATOM 1866 O GLU B 15 -4.050 -6.668 7.072 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.208 -7.778 7.741 1.00 0.32 C ATOM 1868 CG GLU B 15 0.064 -8.545 7.430 1.00 0.32 C ATOM 1869 CD GLU B 15 0.513 -9.412 8.583 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.086 -8.879 9.552 1.00 1.06 O ATOM 1871 OE2 GLU B 15 0.278 -10.636 8.529 1.00 1.25 O ATOM 0 H GLU B 15 0.069 -5.985 6.632 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.051 -7.708 5.781 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.014 -7.085 8.560 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.969 -8.477 8.088 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.098 -9.170 6.551 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.857 -7.841 7.179 1.00 0.32 H new ATOM 1878 N SER B 16 -2.634 -4.960 7.364 1.00 0.31 N ATOM 1879 CA SER B 16 -3.651 -4.025 7.736 1.00 0.37 C ATOM 1880 C SER B 16 -4.516 -3.684 6.537 1.00 0.28 C ATOM 1881 O SER B 16 -5.731 -3.601 6.652 1.00 0.28 O ATOM 1882 CB SER B 16 -3.013 -2.778 8.316 1.00 0.54 C ATOM 1883 OG SER B 16 -2.412 -3.042 9.572 1.00 0.97 O ATOM 0 H SER B 16 -1.686 -4.586 7.397 1.00 0.31 H new ATOM 0 HA SER B 16 -4.290 -4.473 8.496 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.262 -2.396 7.624 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.768 -2.000 8.428 1.00 0.54 H new ATOM 0 HG SER B 16 -2.727 -2.387 10.229 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.890 -3.511 5.381 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.637 -3.308 4.150 1.00 0.28 C ATOM 1891 C LEU B 17 -5.450 -4.555 3.852 1.00 0.27 C ATOM 1892 O LEU B 17 -6.565 -4.472 3.356 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.699 -2.993 2.988 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.696 -1.881 3.277 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.741 -1.695 2.112 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.410 -0.573 3.599 1.00 0.46 C ATOM 0 H LEU B 17 -2.876 -3.507 5.271 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.306 -2.457 4.275 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.154 -3.898 2.720 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.296 -2.712 2.120 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.114 -2.175 4.150 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.036 -0.896 2.343 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.195 -2.622 1.938 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.305 -1.433 1.217 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.673 0.204 3.801 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.026 -0.276 2.750 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.042 -0.710 4.476 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.876 -5.709 4.174 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.595 -6.975 4.104 1.00 0.30 C ATOM 1910 C ILE B 18 -6.832 -6.936 5.003 1.00 0.28 C ATOM 1911 O ILE B 18 -7.929 -7.298 4.581 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.690 -8.165 4.517 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.617 -8.408 3.453 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.518 -9.425 4.750 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.667 -9.539 3.788 1.00 1.37 C ATOM 0 H ILE B 18 -3.909 -5.793 4.488 1.00 0.27 H new ATOM 0 HA ILE B 18 -5.903 -7.121 3.069 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.197 -7.913 5.456 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.104 -8.625 2.502 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.042 -7.492 3.315 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.860 -10.245 5.038 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.241 -9.243 5.545 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.045 -9.689 3.833 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -1.936 -9.650 2.987 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.151 -9.316 4.722 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.229 -10.466 3.897 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.637 -6.471 6.231 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.701 -6.396 7.222 1.00 0.25 C ATOM 1929 C ALA B 19 -8.802 -5.434 6.789 1.00 0.23 C ATOM 1930 O ALA B 19 -9.984 -5.779 6.812 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.127 -5.967 8.566 1.00 0.28 C ATOM 0 H ALA B 19 -5.735 -6.135 6.567 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.145 -7.387 7.317 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -7.928 -5.913 9.303 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.382 -6.693 8.892 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.659 -4.988 8.466 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.412 -4.230 6.389 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.376 -3.218 5.998 1.00 0.22 C ATOM 1939 C VAL B 20 -10.065 -3.619 4.709 1.00 0.23 C ATOM 1940 O VAL B 20 -11.279 -3.500 4.582 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.729 -1.822 5.846 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.831 -1.549 7.016 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -7.952 -1.670 4.548 1.00 0.87 C ATOM 0 H VAL B 20 -7.438 -3.934 6.328 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.114 -3.149 6.797 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.540 -1.094 5.817 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.377 -0.564 6.904 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.414 -1.578 7.937 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.048 -2.306 7.058 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.521 -0.670 4.497 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.154 -2.412 4.513 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.624 -1.819 3.702 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.293 -4.116 3.760 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.866 -4.550 2.493 1.00 0.25 C ATOM 1955 C PHE B 21 -10.870 -5.668 2.725 1.00 0.29 C ATOM 1956 O PHE B 21 -11.907 -5.731 2.071 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.787 -5.023 1.527 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.324 -5.397 0.178 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.718 -4.419 -0.716 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.436 -6.726 -0.193 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.214 -4.757 -1.957 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -9.931 -7.070 -1.432 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.320 -6.084 -2.316 1.00 2.40 C ATOM 0 H PHE B 21 -8.282 -4.229 3.837 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.372 -3.693 2.048 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.043 -4.235 1.409 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.274 -5.883 1.958 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.636 -3.378 -0.439 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.132 -7.501 0.495 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.519 -3.984 -2.647 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -10.015 -8.110 -1.711 1.00 2.48 H new ATOM 0 HZ PHE B 21 -10.707 -6.352 -3.288 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.562 -6.528 3.681 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.398 -7.667 4.003 1.00 0.37 C ATOM 1975 C GLN B 22 -12.756 -7.191 4.492 1.00 0.36 C ATOM 1976 O GLN B 22 -13.792 -7.686 4.062 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.705 -8.503 5.082 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.110 -9.968 5.137 1.00 1.11 C ATOM 1979 CD GLN B 22 -12.549 -10.199 5.564 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -13.447 -10.313 4.732 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -12.776 -10.260 6.865 1.00 2.65 N ATOM 0 H GLN B 22 -9.723 -6.454 4.256 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.548 -8.279 3.113 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.628 -8.448 4.924 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.908 -8.051 6.053 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.959 -10.413 4.153 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.449 -10.491 5.828 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -12.003 -10.161 7.523 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -13.724 -10.406 7.211 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.753 -6.209 5.373 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.991 -5.771 5.984 1.00 0.39 C ATOM 1992 C LYS B 23 -14.889 -5.005 5.006 1.00 0.41 C ATOM 1993 O LYS B 23 -16.107 -5.034 5.151 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.719 -4.955 7.249 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.881 -3.729 7.025 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.390 -3.174 8.339 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.309 -1.667 8.283 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.832 -1.064 9.553 1.00 0.91 N ATOM 0 H LYS B 23 -11.920 -5.706 5.678 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.540 -6.668 6.270 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.672 -4.655 7.686 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -13.221 -5.593 7.979 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.032 -3.974 6.387 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.466 -2.973 6.501 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -13.062 -3.478 9.142 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.409 -3.588 8.571 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.639 -1.374 7.474 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.293 -1.264 8.043 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.460 -0.111 9.367 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.622 -1.002 10.226 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -11.079 -1.656 9.957 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.315 -4.320 4.011 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.152 -3.633 3.019 1.00 0.39 C ATOM 2014 C TYR B 24 -15.539 -4.589 1.892 1.00 0.34 C ATOM 2015 O TYR B 24 -16.712 -4.746 1.569 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.479 -2.397 2.392 1.00 0.46 C ATOM 2017 CG TYR B 24 -13.434 -1.687 3.222 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -13.657 -1.350 4.544 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -12.228 -1.306 2.646 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -12.711 -0.657 5.269 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -11.276 -0.621 3.365 1.00 1.83 C ATOM 2022 CZ TYR B 24 -11.523 -0.297 4.675 1.00 1.71 C ATOM 2023 OH TYR B 24 -10.579 0.394 5.395 1.00 2.15 O ATOM 0 H TYR B 24 -13.309 -4.227 3.872 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.031 -3.293 3.566 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -14.015 -2.703 1.454 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.259 -1.678 2.142 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -14.586 -1.634 5.016 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -12.034 -1.553 1.613 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -12.902 -0.397 6.300 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -10.342 -0.341 2.902 1.00 1.83 H new ATOM 0 HH TYR B 24 -10.286 1.177 4.884 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.534 -5.232 1.310 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.723 -6.067 0.127 1.00 0.34 C ATOM 2035 C ALA B 25 -15.339 -7.413 0.479 1.00 0.47 C ATOM 2036 O ALA B 25 -15.885 -8.111 -0.377 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.386 -6.267 -0.565 1.00 0.37 C ATOM 0 H ALA B 25 -13.570 -5.191 1.641 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.415 -5.558 -0.544 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.523 -6.890 -1.449 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -12.982 -5.299 -0.862 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -12.692 -6.755 0.119 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.248 -7.775 1.745 1.00 0.50 N ATOM 2044 CA GLY B 26 -15.765 -9.056 2.191 1.00 0.64 C ATOM 2045 C GLY B 26 -17.248 -9.015 2.496 1.00 0.76 C ATOM 2046 O GLY B 26 -17.809 -9.979 3.022 1.00 0.96 O ATOM 0 H GLY B 26 -14.825 -7.206 2.478 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.577 -9.806 1.423 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.224 -9.371 3.083 1.00 0.64 H new ATOM 2050 N LYS B 27 -17.887 -7.902 2.164 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.307 -7.729 2.428 1.00 0.82 C ATOM 2052 C LYS B 27 -20.145 -8.414 1.362 1.00 0.95 C ATOM 2053 O LYS B 27 -20.975 -9.271 1.672 1.00 1.11 O ATOM 2054 CB LYS B 27 -19.647 -6.245 2.505 1.00 0.77 C ATOM 2055 CG LYS B 27 -18.942 -5.550 3.651 1.00 0.81 C ATOM 2056 CD LYS B 27 -19.246 -4.065 3.707 1.00 0.86 C ATOM 2057 CE LYS B 27 -18.770 -3.483 5.025 1.00 1.11 C ATOM 2058 NZ LYS B 27 -19.357 -4.186 6.196 1.00 1.72 N ATOM 0 H LYS B 27 -17.443 -7.104 1.710 1.00 0.69 H new ATOM 0 HA LYS B 27 -19.539 -8.194 3.386 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.372 -5.763 1.567 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -20.725 -6.127 2.620 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -19.240 -6.014 4.591 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -17.866 -5.694 3.552 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -18.757 -3.554 2.878 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -20.318 -3.901 3.594 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -17.683 -3.544 5.075 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -19.033 -2.426 5.069 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -19.368 -3.546 7.015 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -20.329 -4.480 5.973 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -18.784 -5.025 6.420 1.00 1.72 H new ATOM 2072 N ASP B 28 -19.930 -8.040 0.109 1.00 1.00 N ATOM 2073 CA ASP B 28 -20.617 -8.688 -0.998 1.00 1.19 C ATOM 2074 C ASP B 28 -20.038 -10.080 -1.219 1.00 1.26 C ATOM 2075 O ASP B 28 -20.707 -10.983 -1.725 1.00 1.58 O ATOM 2076 CB ASP B 28 -20.491 -7.849 -2.270 1.00 1.33 C ATOM 2077 CG ASP B 28 -21.411 -8.331 -3.374 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -22.629 -8.055 -3.304 1.00 2.15 O ATOM 2079 OD2 ASP B 28 -20.920 -8.988 -4.317 1.00 2.09 O ATOM 0 H ASP B 28 -19.289 -7.295 -0.165 1.00 1.00 H new ATOM 0 HA ASP B 28 -21.675 -8.779 -0.753 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -20.719 -6.808 -2.040 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -19.460 -7.879 -2.621 1.00 1.33 H new ATOM 2084 N GLY B 29 -18.785 -10.241 -0.805 1.00 1.15 N ATOM 2085 CA GLY B 29 -18.148 -11.544 -0.812 1.00 1.32 C ATOM 2086 C GLY B 29 -17.796 -12.031 -2.201 1.00 1.51 C ATOM 2087 O GLY B 29 -17.551 -13.221 -2.395 1.00 1.64 O ATOM 0 H GLY B 29 -18.195 -9.483 -0.462 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -17.241 -11.500 -0.209 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -18.811 -12.268 -0.338 1.00 1.32 H new ATOM 2091 N TYR B 30 -17.763 -11.121 -3.166 1.00 2.07 N ATOM 2092 CA TYR B 30 -17.429 -11.481 -4.537 1.00 2.80 C ATOM 2093 C TYR B 30 -15.925 -11.704 -4.669 1.00 2.61 C ATOM 2094 O TYR B 30 -15.187 -10.798 -5.061 1.00 3.02 O ATOM 2095 CB TYR B 30 -17.902 -10.395 -5.508 1.00 3.68 C ATOM 2096 CG TYR B 30 -17.760 -10.773 -6.967 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -18.618 -11.695 -7.552 1.00 5.12 C ATOM 2098 CD2 TYR B 30 -16.768 -10.206 -7.759 1.00 5.11 C ATOM 2099 CE1 TYR B 30 -18.491 -12.042 -8.883 1.00 6.09 C ATOM 2100 CE2 TYR B 30 -16.637 -10.546 -9.090 1.00 6.04 C ATOM 2101 CZ TYR B 30 -17.500 -11.463 -9.647 1.00 6.46 C ATOM 2102 OH TYR B 30 -17.373 -11.804 -10.973 1.00 7.51 O ATOM 0 H TYR B 30 -17.963 -10.131 -3.025 1.00 2.07 H new ATOM 0 HA TYR B 30 -17.941 -12.409 -4.790 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -18.948 -10.167 -5.302 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -17.335 -9.483 -5.322 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -19.397 -12.148 -6.957 1.00 5.12 H new ATOM 0 HD2 TYR B 30 -16.088 -9.487 -7.325 1.00 5.11 H new ATOM 0 HE1 TYR B 30 -19.164 -12.763 -9.323 1.00 6.09 H new ATOM 0 HE2 TYR B 30 -15.862 -10.095 -9.692 1.00 6.04 H new ATOM 0 HH TYR B 30 -16.627 -11.306 -11.369 1.00 7.51 H new ATOM 2112 N ASN B 31 -15.494 -12.915 -4.316 1.00 2.62 N ATOM 2113 CA ASN B 31 -14.083 -13.314 -4.341 1.00 2.78 C ATOM 2114 C ASN B 31 -13.257 -12.472 -3.373 1.00 1.96 C ATOM 2115 O ASN B 31 -13.000 -12.880 -2.240 1.00 2.53 O ATOM 2116 CB ASN B 31 -13.485 -13.218 -5.752 1.00 3.85 C ATOM 2117 CG ASN B 31 -14.195 -14.096 -6.762 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -14.770 -15.126 -6.416 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -14.156 -13.696 -8.025 1.00 5.33 N ATOM 0 H ASN B 31 -16.120 -13.656 -4.001 1.00 2.62 H new ATOM 0 HA ASN B 31 -14.046 -14.357 -4.026 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -13.527 -12.182 -6.088 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -12.432 -13.498 -5.713 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -14.614 -14.249 -8.750 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -13.668 -12.835 -8.272 1.00 5.33 H new ATOM 2126 N TYR B 32 -12.860 -11.294 -3.830 1.00 1.18 N ATOM 2127 CA TYR B 32 -12.092 -10.357 -3.030 1.00 1.18 C ATOM 2128 C TYR B 32 -12.108 -8.991 -3.706 1.00 0.91 C ATOM 2129 O TYR B 32 -11.068 -8.416 -4.012 1.00 1.04 O ATOM 2130 CB TYR B 32 -10.649 -10.857 -2.816 1.00 1.78 C ATOM 2131 CG TYR B 32 -9.885 -11.194 -4.087 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -10.064 -12.413 -4.731 1.00 3.08 C ATOM 2133 CD2 TYR B 32 -8.977 -10.295 -4.635 1.00 2.99 C ATOM 2134 CE1 TYR B 32 -9.365 -12.723 -5.882 1.00 3.93 C ATOM 2135 CE2 TYR B 32 -8.277 -10.597 -5.785 1.00 3.86 C ATOM 2136 CZ TYR B 32 -8.474 -11.811 -6.406 1.00 4.19 C ATOM 2137 OH TYR B 32 -7.777 -12.115 -7.555 1.00 5.19 O ATOM 0 H TYR B 32 -13.064 -10.961 -4.772 1.00 1.18 H new ATOM 0 HA TYR B 32 -12.549 -10.272 -2.044 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -10.095 -10.094 -2.269 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -10.679 -11.744 -2.183 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -10.762 -13.130 -4.325 1.00 3.08 H new ATOM 0 HD2 TYR B 32 -8.817 -9.343 -4.152 1.00 2.99 H new ATOM 0 HE1 TYR B 32 -9.516 -13.675 -6.369 1.00 3.93 H new ATOM 0 HE2 TYR B 32 -7.577 -9.885 -6.197 1.00 3.86 H new ATOM 0 HH TYR B 32 -7.192 -11.365 -7.791 1.00 5.19 H new ATOM 2147 N THR B 33 -13.301 -8.477 -3.940 1.00 0.66 N ATOM 2148 CA THR B 33 -13.448 -7.233 -4.668 1.00 0.45 C ATOM 2149 C THR B 33 -14.407 -6.282 -3.949 1.00 0.37 C ATOM 2150 O THR B 33 -15.494 -6.671 -3.524 1.00 0.44 O ATOM 2151 CB THR B 33 -13.929 -7.500 -6.109 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.798 -8.898 -6.419 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.122 -6.691 -7.116 1.00 0.43 C ATOM 0 H THR B 33 -14.178 -8.900 -3.638 1.00 0.66 H new ATOM 0 HA THR B 33 -12.470 -6.754 -4.713 1.00 0.45 H new ATOM 0 HB THR B 33 -14.975 -7.200 -6.173 1.00 0.45 H new ATOM 0 HG1 THR B 33 -14.443 -9.412 -5.890 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.483 -6.899 -8.123 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.235 -5.628 -6.903 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.070 -6.966 -7.044 1.00 0.43 H new ATOM 2161 N LEU B 34 -13.961 -5.044 -3.816 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.687 -3.976 -3.133 1.00 0.30 C ATOM 2163 C LEU B 34 -15.630 -3.299 -4.113 1.00 0.31 C ATOM 2164 O LEU B 34 -15.195 -2.548 -4.982 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.637 -2.982 -2.621 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.722 -2.553 -1.158 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.513 -1.711 -0.799 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.984 -1.775 -0.882 1.00 0.28 C ATOM 0 H LEU B 34 -13.061 -4.742 -4.188 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.283 -4.361 -2.306 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.652 -3.419 -2.786 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.695 -2.085 -3.238 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.740 -3.454 -0.544 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.578 -1.407 0.246 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.605 -2.295 -0.951 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.485 -0.825 -1.433 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -15.011 -1.486 0.169 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -15.004 -0.881 -1.505 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.851 -2.395 -1.110 1.00 0.28 H new ATOM 2180 N SER B 35 -16.916 -3.583 -3.978 1.00 0.31 N ATOM 2181 CA SER B 35 -17.909 -3.097 -4.920 1.00 0.33 C ATOM 2182 C SER B 35 -18.104 -1.586 -4.782 1.00 0.32 C ATOM 2183 O SER B 35 -17.667 -0.988 -3.797 1.00 0.30 O ATOM 2184 CB SER B 35 -19.229 -3.844 -4.718 1.00 0.37 C ATOM 2185 OG SER B 35 -20.204 -3.461 -5.678 1.00 0.40 O ATOM 0 H SER B 35 -17.297 -4.151 -3.221 1.00 0.31 H new ATOM 0 HA SER B 35 -17.553 -3.289 -5.932 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.053 -4.918 -4.787 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.609 -3.647 -3.716 1.00 0.37 H new ATOM 0 HG SER B 35 -21.033 -3.959 -5.519 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.780 -0.991 -5.772 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.900 0.465 -5.898 1.00 0.42 C ATOM 2193 C LYS B 36 -19.242 1.119 -4.573 1.00 0.36 C ATOM 2194 O LYS B 36 -18.454 1.886 -4.026 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.967 0.825 -6.944 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.185 2.326 -7.124 1.00 0.62 C ATOM 2197 CD LYS B 36 -18.926 3.018 -7.620 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.122 4.519 -7.806 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.019 4.841 -8.946 1.00 0.65 N ATOM 0 H LYS B 36 -19.260 -1.507 -6.509 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.930 0.844 -6.221 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.680 0.393 -7.903 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.912 0.364 -6.657 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -20.996 2.494 -7.832 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.493 2.766 -6.176 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.116 2.845 -6.911 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.620 2.574 -8.567 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.536 4.944 -6.891 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.153 4.991 -7.966 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -19.736 5.750 -9.365 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -19.950 4.092 -9.664 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.000 4.907 -8.608 1.00 0.65 H new ATOM 2213 N THR B 37 -20.394 0.783 -4.042 1.00 0.37 N ATOM 2214 CA THR B 37 -20.864 1.397 -2.825 1.00 0.38 C ATOM 2215 C THR B 37 -19.992 1.017 -1.635 1.00 0.36 C ATOM 2216 O THR B 37 -19.801 1.815 -0.715 1.00 0.38 O ATOM 2217 CB THR B 37 -22.300 0.986 -2.521 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.115 1.141 -3.692 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.845 1.839 -1.391 1.00 0.49 C ATOM 0 H THR B 37 -21.024 0.085 -4.436 1.00 0.37 H new ATOM 0 HA THR B 37 -20.814 2.475 -2.981 1.00 0.38 H new ATOM 0 HB THR B 37 -22.317 -0.061 -2.220 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.035 0.873 -3.488 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.872 1.544 -1.175 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.232 1.698 -0.501 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.823 2.889 -1.684 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.459 -0.196 -1.658 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.647 -0.688 -0.562 1.00 0.33 C ATOM 2229 C GLU B 38 -17.422 0.200 -0.381 1.00 0.33 C ATOM 2230 O GLU B 38 -17.020 0.483 0.742 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.253 -2.138 -0.805 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.453 -3.046 -0.997 1.00 0.47 C ATOM 2233 CD GLU B 38 -19.079 -4.504 -1.144 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -18.198 -4.814 -1.968 1.00 2.16 O ATOM 2235 OE2 GLU B 38 -19.693 -5.344 -0.457 1.00 1.96 O ATOM 0 H GLU B 38 -19.576 -0.856 -2.426 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.228 -0.653 0.359 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.615 -2.194 -1.687 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.663 -2.496 0.038 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -20.125 -2.934 -0.146 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -20.003 -2.728 -1.882 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.832 0.674 -1.480 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.700 1.581 -1.348 1.00 0.31 C ATOM 2244 C PHE B 39 -16.157 2.997 -1.192 1.00 0.28 C ATOM 2245 O PHE B 39 -15.537 3.761 -0.485 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.671 1.477 -2.470 1.00 0.53 C ATOM 2247 CG PHE B 39 -15.139 1.642 -3.882 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.340 2.899 -4.420 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -15.312 0.536 -4.691 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -15.716 3.047 -5.736 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -15.695 0.677 -6.006 1.00 2.61 C ATOM 2252 CZ PHE B 39 -15.896 1.934 -6.529 1.00 2.87 C ATOM 0 H PHE B 39 -17.109 0.453 -2.437 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.187 1.260 -0.441 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -13.902 2.227 -2.285 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -14.191 0.502 -2.391 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.201 3.774 -3.802 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.145 -0.452 -4.287 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -15.870 4.034 -6.147 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -15.837 -0.196 -6.625 1.00 2.61 H new ATOM 0 HZ PHE B 39 -16.195 2.048 -7.561 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.241 3.341 -1.836 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.836 4.648 -1.660 1.00 0.37 C ATOM 2264 C LEU B 40 -17.997 4.963 -0.178 1.00 0.40 C ATOM 2265 O LEU B 40 -17.693 6.063 0.284 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.196 4.660 -2.338 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.265 5.350 -3.703 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -19.136 6.855 -3.562 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.182 4.823 -4.611 1.00 0.46 C ATOM 0 H LEU B 40 -17.735 2.734 -2.491 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.189 5.404 -2.105 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.528 3.629 -2.458 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.907 5.148 -1.671 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.238 5.130 -4.142 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -19.188 7.319 -4.547 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -19.947 7.233 -2.939 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -18.180 7.096 -3.098 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.243 5.322 -5.578 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.207 5.016 -4.164 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -18.313 3.750 -4.748 1.00 0.46 H new ATOM 2281 N SER B 41 -18.420 3.961 0.569 1.00 0.42 N ATOM 2282 CA SER B 41 -18.734 4.149 1.972 1.00 0.52 C ATOM 2283 C SER B 41 -17.478 4.034 2.818 1.00 0.45 C ATOM 2284 O SER B 41 -17.293 4.775 3.783 1.00 0.47 O ATOM 2285 CB SER B 41 -19.785 3.134 2.416 1.00 0.67 C ATOM 2286 OG SER B 41 -19.473 1.837 1.936 1.00 1.40 O ATOM 0 H SER B 41 -18.554 3.009 0.228 1.00 0.42 H new ATOM 0 HA SER B 41 -19.143 5.150 2.110 1.00 0.52 H new ATOM 0 HB2 SER B 41 -19.844 3.119 3.504 1.00 0.67 H new ATOM 0 HB3 SER B 41 -20.766 3.436 2.048 1.00 0.67 H new ATOM 0 HG SER B 41 -19.797 1.742 1.016 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.606 3.113 2.440 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.413 2.842 3.213 1.00 0.46 C ATOM 2294 C PHE B 42 -14.248 3.741 2.846 1.00 0.29 C ATOM 2295 O PHE B 42 -13.322 3.922 3.629 1.00 0.42 O ATOM 2296 CB PHE B 42 -15.108 1.354 3.227 1.00 0.80 C ATOM 2297 CG PHE B 42 -16.086 0.686 4.149 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -15.843 0.637 5.513 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -17.272 0.170 3.666 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -16.763 0.079 6.374 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -18.191 -0.394 4.520 1.00 3.73 C ATOM 2302 CZ PHE B 42 -17.939 -0.439 5.877 1.00 4.13 C ATOM 0 H PHE B 42 -16.706 2.542 1.601 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.609 3.112 4.251 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -15.188 0.940 2.222 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.086 1.178 3.564 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -14.922 1.041 5.906 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -17.480 0.210 2.607 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -16.563 0.048 7.435 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -19.111 -0.802 4.129 1.00 3.73 H new ATOM 0 HZ PHE B 42 -18.662 -0.879 6.547 1.00 4.13 H new ATOM 2312 N MET B 43 -14.308 4.321 1.673 1.00 0.26 N ATOM 2313 CA MET B 43 -13.460 5.456 1.352 1.00 0.29 C ATOM 2314 C MET B 43 -13.942 6.694 2.103 1.00 0.29 C ATOM 2315 O MET B 43 -13.147 7.519 2.532 1.00 0.37 O ATOM 2316 CB MET B 43 -13.484 5.738 -0.138 1.00 0.38 C ATOM 2317 CG MET B 43 -12.674 4.762 -0.979 1.00 0.62 C ATOM 2318 SD MET B 43 -12.833 5.077 -2.748 1.00 1.22 S ATOM 2319 CE MET B 43 -11.756 3.816 -3.416 1.00 2.25 C ATOM 0 H MET B 43 -14.933 4.031 0.921 1.00 0.26 H new ATOM 0 HA MET B 43 -12.440 5.215 1.652 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.518 5.722 -0.481 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.107 6.746 -0.310 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.624 4.827 -0.695 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.000 3.744 -0.764 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.127 4.249 -4.193 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.127 3.416 -2.621 1.00 2.25 H new ATOM 0 HE3 MET B 43 -12.357 3.013 -3.842 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.256 6.827 2.255 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.826 7.956 2.995 1.00 0.33 C ATOM 2331 C ASN B 44 -15.653 7.803 4.501 1.00 0.32 C ATOM 2332 O ASN B 44 -15.872 8.750 5.249 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.307 8.120 2.681 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.572 9.125 1.579 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -16.878 10.134 1.464 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.578 8.862 0.760 1.00 1.83 N ATOM 0 H ASN B 44 -15.944 6.174 1.880 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.280 8.843 2.673 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.720 7.154 2.391 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.831 8.433 3.584 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.800 9.507 0.002 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -19.131 8.014 0.887 1.00 1.83 H new ATOM 2343 N THR B 45 -15.296 6.612 4.952 1.00 0.27 N ATOM 2344 CA THR B 45 -15.056 6.391 6.373 1.00 0.29 C ATOM 2345 C THR B 45 -13.579 6.274 6.670 1.00 0.28 C ATOM 2346 O THR B 45 -12.993 7.106 7.370 1.00 0.34 O ATOM 2347 CB THR B 45 -15.742 5.112 6.871 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.684 4.107 5.855 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.187 5.378 7.246 1.00 0.34 C ATOM 0 H THR B 45 -15.166 5.789 4.364 1.00 0.27 H new ATOM 0 HA THR B 45 -15.473 7.256 6.889 1.00 0.29 H new ATOM 0 HB THR B 45 -15.216 4.766 7.761 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.373 4.283 5.181 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.648 4.454 7.595 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.226 6.125 8.039 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.727 5.746 6.374 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.978 5.252 6.100 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.609 4.908 6.396 1.00 0.25 C ATOM 2359 C GLU B 46 -10.648 5.813 5.642 1.00 0.25 C ATOM 2360 O GLU B 46 -9.451 5.805 5.892 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.359 3.445 6.045 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.336 2.487 6.716 1.00 0.57 C ATOM 2363 CD GLU B 46 -12.244 2.503 8.230 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.786 3.436 8.856 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.644 1.568 8.808 1.00 1.68 O ATOM 0 H GLU B 46 -13.426 4.638 5.420 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.434 5.052 7.462 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.425 3.322 4.964 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.343 3.178 6.335 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.352 2.746 6.417 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.147 1.475 6.358 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.176 6.598 4.721 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.357 7.523 3.960 1.00 0.26 C ATOM 2374 C LEU B 47 -11.006 8.886 3.901 1.00 0.28 C ATOM 2375 O LEU B 47 -10.725 9.676 3.007 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.134 6.994 2.551 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.395 5.669 2.484 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.366 5.166 1.058 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.988 5.831 3.035 1.00 0.28 C ATOM 0 H LEU B 47 -12.167 6.614 4.482 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.394 7.617 4.461 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.102 6.881 2.062 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.574 7.737 1.982 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.917 4.933 3.095 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.834 4.215 1.018 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.386 5.026 0.701 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.857 5.893 0.426 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.465 4.876 2.983 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.449 6.572 2.445 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.039 6.161 4.073 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.884 9.159 4.853 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.548 10.448 4.923 1.00 0.37 C ATOM 2393 C ALA B 48 -11.529 11.557 5.137 1.00 0.39 C ATOM 2394 O ALA B 48 -11.770 12.713 4.788 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.585 10.442 6.027 1.00 0.41 C ATOM 0 H ALA B 48 -12.153 8.504 5.587 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.057 10.635 3.978 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.076 11.414 6.070 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.327 9.669 5.825 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -13.099 10.239 6.981 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.388 11.180 5.707 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.247 12.073 5.841 1.00 0.41 C ATOM 2403 C ALA B 49 -8.832 12.615 4.479 1.00 0.41 C ATOM 2404 O ALA B 49 -8.495 13.789 4.335 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.089 11.322 6.478 1.00 0.44 C ATOM 0 H ALA B 49 -10.231 10.247 6.088 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.527 12.914 6.475 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.234 11.990 6.579 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.387 10.962 7.463 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.815 10.474 5.850 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.851 11.740 3.487 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.552 12.110 2.114 1.00 0.37 C ATOM 2413 C PHE B 50 -9.803 12.632 1.418 1.00 0.38 C ATOM 2414 O PHE B 50 -9.856 13.776 0.971 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.022 10.888 1.357 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.623 11.174 -0.067 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.368 11.681 -0.360 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.502 10.928 -1.111 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -5.996 11.937 -1.667 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.137 11.183 -2.418 1.00 2.10 C ATOM 2421 CZ PHE B 50 -6.883 11.688 -2.696 1.00 1.80 C ATOM 0 H PHE B 50 -9.074 10.753 3.611 1.00 0.36 H new ATOM 0 HA PHE B 50 -7.797 12.897 2.121 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.160 10.488 1.891 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -8.787 10.112 1.360 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -5.672 11.879 0.442 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.484 10.532 -0.899 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.014 12.331 -1.883 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -8.832 10.988 -3.222 1.00 2.10 H new ATOM 0 HZ PHE B 50 -6.595 11.888 -3.718 1.00 1.80 H new ATOM 2431 N THR B 51 -10.809 11.771 1.374 1.00 0.36 N ATOM 2432 CA THR B 51 -12.017 11.981 0.595 1.00 0.40 C ATOM 2433 C THR B 51 -12.726 13.291 0.933 1.00 0.45 C ATOM 2434 O THR B 51 -12.943 14.133 0.066 1.00 0.53 O ATOM 2435 CB THR B 51 -12.987 10.817 0.842 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.353 9.573 0.520 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.257 10.979 0.024 1.00 0.49 C ATOM 0 H THR B 51 -10.807 10.891 1.889 1.00 0.36 H new ATOM 0 HA THR B 51 -11.716 12.032 -0.451 1.00 0.40 H new ATOM 0 HB THR B 51 -13.259 10.821 1.897 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.609 8.895 1.179 1.00 0.39 H new ATOM 0 HG21 THR B 51 -14.925 10.140 0.219 1.00 0.49 H new ATOM 0 HG22 THR B 51 -14.752 11.910 0.301 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.006 11.004 -1.036 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.075 13.465 2.197 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.895 14.596 2.606 1.00 0.60 C ATOM 2447 C LYS B 52 -13.050 15.846 2.779 1.00 0.69 C ATOM 2448 O LYS B 52 -13.563 16.923 3.087 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.649 14.270 3.894 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.611 13.106 3.734 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.363 12.815 5.019 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.262 11.601 4.866 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.383 11.845 3.917 1.00 1.82 N ATOM 0 H LYS B 52 -12.805 12.840 2.957 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.624 14.791 1.819 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.931 14.037 4.681 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.203 15.151 4.218 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.323 13.329 2.939 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.059 12.218 3.427 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -15.653 12.645 5.829 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.962 13.682 5.297 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -16.670 10.755 4.516 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -17.667 11.326 5.840 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -19.259 11.437 4.302 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -18.507 12.869 3.783 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.167 11.400 3.002 1.00 1.82 H new ATOM 2467 N ASN B 53 -11.753 15.701 2.581 1.00 0.68 N ATOM 2468 CA ASN B 53 -10.840 16.822 2.702 1.00 0.85 C ATOM 2469 C ASN B 53 -10.397 17.277 1.314 1.00 1.00 C ATOM 2470 O ASN B 53 -9.702 18.283 1.164 1.00 1.22 O ATOM 2471 CB ASN B 53 -9.628 16.422 3.547 1.00 0.92 C ATOM 2472 CG ASN B 53 -8.930 17.603 4.205 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -8.308 17.357 5.345 1.00 1.93 O flip ATOM 2474 ND2 ASN B 53 -8.944 18.722 3.698 1.00 2.05 N flip ATOM 0 H ASN B 53 -11.308 14.817 2.335 1.00 0.68 H new ATOM 0 HA ASN B 53 -11.349 17.649 3.197 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -9.949 15.723 4.320 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -8.914 15.894 2.916 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -9.434 18.877 2.817 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -8.466 19.496 4.158 1.00 2.05 H new ATOM 2481 N GLN B 54 -10.819 16.540 0.295 1.00 1.01 N ATOM 2482 CA GLN B 54 -10.412 16.831 -1.069 1.00 1.29 C ATOM 2483 C GLN B 54 -11.540 16.548 -2.057 1.00 1.33 C ATOM 2484 O GLN B 54 -11.681 15.424 -2.545 1.00 2.05 O ATOM 2485 CB GLN B 54 -9.168 16.014 -1.429 1.00 1.74 C ATOM 2486 CG GLN B 54 -8.663 16.250 -2.842 1.00 2.17 C ATOM 2487 CD GLN B 54 -7.395 15.478 -3.138 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -6.573 15.243 -2.254 1.00 2.90 O ATOM 2489 NE2 GLN B 54 -7.230 15.074 -4.387 1.00 2.71 N ATOM 0 H GLN B 54 -11.442 15.738 0.389 1.00 1.01 H new ATOM 0 HA GLN B 54 -10.173 17.893 -1.134 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -8.372 16.254 -0.724 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -9.393 14.955 -1.307 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -9.436 15.961 -3.554 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -8.479 17.315 -2.986 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -7.936 15.290 -5.090 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -6.396 14.547 -4.646 1.00 2.71 H new ATOM 2498 N LYS B 55 -12.345 17.577 -2.324 1.00 1.43 N ATOM 2499 CA LYS B 55 -13.375 17.535 -3.366 1.00 1.87 C ATOM 2500 C LYS B 55 -14.552 16.627 -2.972 1.00 1.59 C ATOM 2501 O LYS B 55 -14.522 15.960 -1.939 1.00 2.27 O ATOM 2502 CB LYS B 55 -12.744 17.096 -4.703 1.00 2.84 C ATOM 2503 CG LYS B 55 -13.655 17.238 -5.916 1.00 3.60 C ATOM 2504 CD LYS B 55 -12.911 16.973 -7.217 1.00 4.28 C ATOM 2505 CE LYS B 55 -11.862 18.041 -7.492 1.00 5.02 C ATOM 2506 NZ LYS B 55 -11.212 17.858 -8.816 1.00 5.58 N ATOM 0 H LYS B 55 -12.302 18.465 -1.824 1.00 1.43 H new ATOM 0 HA LYS B 55 -13.786 18.538 -3.485 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -11.842 17.683 -4.873 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -12.435 16.054 -4.618 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -14.490 16.543 -5.827 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -14.078 18.242 -5.937 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -12.431 15.995 -7.170 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -13.622 16.940 -8.043 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -12.328 19.025 -7.450 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -11.104 18.014 -6.709 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -10.505 18.607 -8.962 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -10.745 16.929 -8.848 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -11.931 17.910 -9.566 1.00 5.58 H new ATOM 2520 N ASP B 56 -15.601 16.651 -3.790 1.00 1.36 N ATOM 2521 CA ASP B 56 -16.788 15.821 -3.584 1.00 1.50 C ATOM 2522 C ASP B 56 -16.449 14.337 -3.714 1.00 1.27 C ATOM 2523 O ASP B 56 -15.425 13.979 -4.297 1.00 1.44 O ATOM 2524 CB ASP B 56 -17.858 16.189 -4.621 1.00 2.13 C ATOM 2525 CG ASP B 56 -18.470 17.552 -4.384 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -19.448 17.646 -3.611 1.00 3.44 O ATOM 2527 OD2 ASP B 56 -17.982 18.538 -4.982 1.00 3.39 O ATOM 0 H ASP B 56 -15.653 17.247 -4.616 1.00 1.36 H new ATOM 0 HA ASP B 56 -17.163 16.004 -2.577 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -17.414 16.165 -5.616 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -18.646 15.436 -4.605 1.00 2.13 H new ATOM 2532 N PRO B 57 -17.330 13.449 -3.197 1.00 1.06 N ATOM 2533 CA PRO B 57 -17.147 11.985 -3.260 1.00 1.02 C ATOM 2534 C PRO B 57 -17.053 11.463 -4.691 1.00 0.76 C ATOM 2535 O PRO B 57 -16.763 10.286 -4.913 1.00 0.70 O ATOM 2536 CB PRO B 57 -18.407 11.434 -2.581 1.00 1.20 C ATOM 2537 CG PRO B 57 -19.389 12.546 -2.672 1.00 1.20 C ATOM 2538 CD PRO B 57 -18.578 13.791 -2.494 1.00 1.14 C ATOM 0 HA PRO B 57 -16.216 11.679 -2.783 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -18.772 10.539 -3.085 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -18.212 11.159 -1.544 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -19.902 12.543 -3.634 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -20.156 12.460 -1.902 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -19.067 14.662 -2.931 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -18.404 14.018 -1.442 1.00 1.14 H new ATOM 2546 N GLY B 58 -17.298 12.346 -5.653 1.00 0.67 N ATOM 2547 CA GLY B 58 -17.105 12.016 -7.050 1.00 0.56 C ATOM 2548 C GLY B 58 -15.668 11.642 -7.348 1.00 0.49 C ATOM 2549 O GLY B 58 -15.365 11.053 -8.382 1.00 0.48 O ATOM 0 H GLY B 58 -17.631 13.295 -5.485 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -17.760 11.188 -7.321 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -17.394 12.866 -7.667 1.00 0.56 H new ATOM 2553 N VAL B 59 -14.777 11.992 -6.433 1.00 0.52 N ATOM 2554 CA VAL B 59 -13.385 11.600 -6.534 1.00 0.52 C ATOM 2555 C VAL B 59 -13.242 10.090 -6.445 1.00 0.49 C ATOM 2556 O VAL B 59 -12.458 9.492 -7.179 1.00 0.49 O ATOM 2557 CB VAL B 59 -12.530 12.263 -5.435 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.113 11.994 -4.059 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -11.093 11.772 -5.502 1.00 0.66 C ATOM 0 H VAL B 59 -14.998 12.550 -5.608 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.025 11.939 -7.505 1.00 0.52 H new ATOM 0 HB VAL B 59 -12.538 13.339 -5.608 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -12.492 12.472 -3.301 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -14.124 12.397 -4.007 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.142 10.919 -3.880 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -10.507 12.252 -4.718 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.071 10.691 -5.361 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -10.669 12.020 -6.475 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.027 9.480 -5.569 1.00 0.48 N ATOM 2570 CA LEU B 60 -13.991 8.036 -5.391 1.00 0.46 C ATOM 2571 C LEU B 60 -14.500 7.366 -6.651 1.00 0.43 C ATOM 2572 O LEU B 60 -14.234 6.197 -6.909 1.00 0.41 O ATOM 2573 CB LEU B 60 -14.852 7.608 -4.203 1.00 0.48 C ATOM 2574 CG LEU B 60 -14.720 8.482 -2.957 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -15.649 7.990 -1.857 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -13.277 8.505 -2.482 1.00 0.52 C ATOM 0 H LEU B 60 -14.697 9.963 -4.970 1.00 0.48 H new ATOM 0 HA LEU B 60 -12.962 7.735 -5.194 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -15.896 7.603 -4.515 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -14.593 6.583 -3.938 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.013 9.501 -3.212 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -15.540 8.625 -0.978 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -16.680 8.029 -2.207 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.393 6.963 -1.596 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.196 9.131 -1.594 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -12.957 7.491 -2.242 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -12.641 8.909 -3.270 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.232 8.140 -7.434 1.00 0.46 N ATOM 2589 CA ASP B 61 -15.761 7.676 -8.706 1.00 0.46 C ATOM 2590 C ASP B 61 -14.650 7.636 -9.738 1.00 0.47 C ATOM 2591 O ASP B 61 -14.618 6.771 -10.613 1.00 0.51 O ATOM 2592 CB ASP B 61 -16.886 8.595 -9.184 1.00 0.47 C ATOM 2593 CG ASP B 61 -17.841 7.907 -10.139 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -17.600 7.946 -11.363 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -18.845 7.324 -9.671 1.00 1.19 O ATOM 0 H ASP B 61 -15.476 9.104 -7.208 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.166 6.673 -8.574 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -17.443 8.960 -8.321 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -16.453 9.466 -9.675 1.00 0.47 H new ATOM 2600 N ARG B 62 -13.728 8.574 -9.615 1.00 0.47 N ATOM 2601 CA ARG B 62 -12.558 8.601 -10.473 1.00 0.51 C ATOM 2602 C ARG B 62 -11.638 7.469 -10.067 1.00 0.50 C ATOM 2603 O ARG B 62 -11.089 6.756 -10.905 1.00 0.56 O ATOM 2604 CB ARG B 62 -11.818 9.927 -10.340 1.00 0.55 C ATOM 2605 CG ARG B 62 -12.734 11.122 -10.183 1.00 0.55 C ATOM 2606 CD ARG B 62 -11.942 12.392 -9.949 1.00 0.62 C ATOM 2607 NE ARG B 62 -10.853 12.195 -8.988 1.00 1.45 N ATOM 2608 CZ ARG B 62 -9.909 13.103 -8.738 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -9.953 14.290 -9.327 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -8.921 12.822 -7.898 1.00 3.02 N ATOM 0 H ARG B 62 -13.767 9.327 -8.929 1.00 0.47 H new ATOM 0 HA ARG B 62 -12.872 8.487 -11.510 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -11.151 9.876 -9.479 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -11.192 10.073 -11.220 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -13.348 11.233 -11.077 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -13.414 10.955 -9.348 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -11.530 12.741 -10.896 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.610 13.173 -9.584 1.00 0.62 H new ATOM 0 HE ARG B 62 -10.815 11.311 -8.480 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -10.710 14.511 -9.973 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -9.229 14.982 -9.134 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -8.883 11.910 -7.442 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -8.200 13.518 -7.708 1.00 3.02 H new ATOM 2624 N MET B 63 -11.495 7.308 -8.754 1.00 0.45 N ATOM 2625 CA MET B 63 -10.716 6.216 -8.195 1.00 0.44 C ATOM 2626 C MET B 63 -11.299 4.902 -8.668 1.00 0.41 C ATOM 2627 O MET B 63 -10.579 4.046 -9.163 1.00 0.42 O ATOM 2628 CB MET B 63 -10.720 6.263 -6.668 1.00 0.43 C ATOM 2629 CG MET B 63 -10.369 7.626 -6.102 1.00 0.49 C ATOM 2630 SD MET B 63 -8.773 8.245 -6.675 1.00 0.63 S ATOM 2631 CE MET B 63 -7.658 7.004 -6.022 1.00 1.54 C ATOM 0 H MET B 63 -11.912 7.925 -8.057 1.00 0.45 H new ATOM 0 HA MET B 63 -9.684 6.312 -8.533 1.00 0.44 H new ATOM 0 HB2 MET B 63 -11.706 5.972 -6.306 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.011 5.527 -6.288 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.147 8.338 -6.377 1.00 0.49 H new ATOM 0 HG3 MET B 63 -10.360 7.569 -5.014 1.00 0.49 H new ATOM 0 HE1 MET B 63 -6.629 7.282 -6.251 1.00 1.54 H new ATOM 0 HE2 MET B 63 -7.783 6.935 -4.941 1.00 1.54 H new ATOM 0 HE3 MET B 63 -7.882 6.039 -6.475 1.00 1.54 H new ATOM 2641 N MET B 64 -12.618 4.779 -8.529 1.00 0.41 N ATOM 2642 CA MET B 64 -13.355 3.619 -9.011 1.00 0.42 C ATOM 2643 C MET B 64 -12.864 3.193 -10.372 1.00 0.44 C ATOM 2644 O MET B 64 -12.407 2.083 -10.553 1.00 0.41 O ATOM 2645 CB MET B 64 -14.847 3.933 -9.124 1.00 0.55 C ATOM 2646 CG MET B 64 -15.626 2.887 -9.912 1.00 0.65 C ATOM 2647 SD MET B 64 -17.266 3.457 -10.394 1.00 1.87 S ATOM 2648 CE MET B 64 -17.893 2.000 -11.224 1.00 2.41 C ATOM 0 H MET B 64 -13.203 5.483 -8.079 1.00 0.41 H new ATOM 0 HA MET B 64 -13.194 2.816 -8.291 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.271 4.014 -8.123 1.00 0.55 H new ATOM 0 HB3 MET B 64 -14.971 4.905 -9.602 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.063 2.617 -10.805 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.722 1.983 -9.311 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.743 2.275 -11.848 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.109 1.570 -11.847 1.00 2.41 H new ATOM 0 HE3 MET B 64 -18.209 1.267 -10.482 1.00 2.41 H new ATOM 2658 N LYS B 65 -12.933 4.105 -11.315 1.00 0.52 N ATOM 2659 CA LYS B 65 -12.712 3.767 -12.709 1.00 0.56 C ATOM 2660 C LYS B 65 -11.238 3.541 -13.026 1.00 0.54 C ATOM 2661 O LYS B 65 -10.907 2.839 -13.981 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.315 4.854 -13.577 1.00 0.67 C ATOM 2663 CG LYS B 65 -14.794 5.043 -13.288 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.619 3.840 -13.730 1.00 0.86 C ATOM 2665 CE LYS B 65 -15.523 3.603 -15.230 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.032 4.763 -16.009 1.00 2.49 N ATOM 0 H LYS B 65 -13.141 5.089 -11.145 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.205 2.819 -12.922 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -12.787 5.792 -13.406 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.179 4.599 -14.628 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -14.937 5.208 -12.220 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.152 5.936 -13.799 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.277 2.951 -13.200 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -16.662 3.994 -13.453 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -14.485 3.411 -15.501 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -16.092 2.711 -15.494 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -16.141 4.490 -17.007 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -16.954 5.059 -15.629 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -15.358 5.552 -15.937 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.360 4.127 -12.228 1.00 0.50 N ATOM 2681 CA LYS B 66 -8.935 3.842 -12.336 1.00 0.52 C ATOM 2682 C LYS B 66 -8.648 2.429 -11.851 1.00 0.48 C ATOM 2683 O LYS B 66 -7.920 1.665 -12.487 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.119 4.819 -11.484 1.00 0.55 C ATOM 2685 CG LYS B 66 -6.650 4.427 -11.373 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.020 4.938 -10.083 1.00 0.96 C ATOM 2687 CE LYS B 66 -6.031 6.458 -9.996 1.00 0.73 C ATOM 2688 NZ LYS B 66 -5.151 7.087 -11.017 1.00 1.47 N ATOM 0 H LYS B 66 -10.605 4.800 -11.502 1.00 0.50 H new ATOM 0 HA LYS B 66 -8.652 3.947 -13.383 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -8.192 5.817 -11.915 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.552 4.871 -10.485 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.560 3.342 -11.416 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.103 4.826 -12.227 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -6.558 4.524 -9.230 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -4.993 4.580 -10.017 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -7.051 6.820 -10.126 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -5.708 6.765 -9.001 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -5.111 8.114 -10.855 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -4.194 6.687 -10.944 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -5.533 6.901 -11.966 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.249 2.100 -10.723 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.920 0.898 -9.981 1.00 0.39 C ATOM 2704 C LEU B 67 -9.799 -0.278 -10.376 1.00 0.40 C ATOM 2705 O LEU B 67 -9.471 -1.425 -10.103 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.113 1.179 -8.507 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.491 2.483 -7.997 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.017 2.813 -6.618 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -6.979 2.397 -7.977 1.00 0.37 C ATOM 0 H LEU B 67 -9.983 2.663 -10.293 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.887 0.631 -10.206 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.182 1.200 -8.296 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.692 0.350 -7.939 1.00 0.34 H new ATOM 0 HG LEU B 67 -8.774 3.282 -8.683 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.566 3.742 -6.269 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.100 2.929 -6.660 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.765 2.006 -5.930 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.566 3.337 -7.611 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.669 1.584 -7.320 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.612 2.208 -8.986 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.940 0.010 -10.970 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.867 -1.035 -11.394 1.00 0.42 C ATOM 2723 C ASP B 68 -11.300 -1.790 -12.576 1.00 0.52 C ATOM 2724 O ASP B 68 -11.705 -1.626 -13.728 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.239 -0.456 -11.710 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.204 -1.474 -12.301 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.330 -2.593 -11.751 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.858 -1.153 -13.316 1.00 1.13 O ATOM 0 H ASP B 68 -11.253 0.959 -11.173 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.995 -1.738 -10.571 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.670 -0.045 -10.797 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.123 0.372 -12.409 1.00 0.43 H new ATOM 2733 N THR B 69 -10.324 -2.599 -12.256 1.00 0.58 N ATOM 2734 CA THR B 69 -9.656 -3.440 -13.211 1.00 0.74 C ATOM 2735 C THR B 69 -10.515 -4.666 -13.510 1.00 0.83 C ATOM 2736 O THR B 69 -10.275 -5.409 -14.462 1.00 0.99 O ATOM 2737 CB THR B 69 -8.291 -3.844 -12.640 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.350 -4.073 -13.698 1.00 0.91 O ATOM 2739 CG2 THR B 69 -8.408 -5.093 -11.779 1.00 0.82 C ATOM 0 H THR B 69 -9.965 -2.693 -11.306 1.00 0.58 H new ATOM 0 HA THR B 69 -9.503 -2.904 -14.148 1.00 0.74 H new ATOM 0 HB THR B 69 -7.935 -3.023 -12.017 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.484 -4.328 -13.316 1.00 0.91 H new ATOM 0 HG21 THR B 69 -7.426 -5.358 -11.387 1.00 0.82 H new ATOM 0 HG22 THR B 69 -9.090 -4.901 -10.951 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.792 -5.916 -12.382 1.00 0.82 H new ATOM 2747 N ASN B 70 -11.538 -4.844 -12.686 1.00 0.80 N ATOM 2748 CA ASN B 70 -12.473 -5.945 -12.831 1.00 0.94 C ATOM 2749 C ASN B 70 -13.545 -5.574 -13.841 1.00 0.86 C ATOM 2750 O ASN B 70 -14.332 -6.409 -14.286 1.00 0.98 O ATOM 2751 CB ASN B 70 -13.105 -6.248 -11.475 1.00 1.00 C ATOM 2752 CG ASN B 70 -13.870 -7.559 -11.452 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -13.533 -8.500 -12.165 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -14.903 -7.629 -10.625 1.00 1.66 N ATOM 0 H ASN B 70 -11.741 -4.228 -11.899 1.00 0.80 H new ATOM 0 HA ASN B 70 -11.948 -6.832 -13.187 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -12.324 -6.277 -10.716 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -13.780 -5.436 -11.206 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -15.450 -8.487 -10.564 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -15.151 -6.824 -10.049 1.00 1.66 H new ATOM 2761 N SER B 71 -13.539 -4.288 -14.190 1.00 0.70 N ATOM 2762 CA SER B 71 -14.473 -3.685 -15.138 1.00 0.66 C ATOM 2763 C SER B 71 -15.922 -4.013 -14.796 1.00 0.61 C ATOM 2764 O SER B 71 -16.771 -4.166 -15.679 1.00 0.66 O ATOM 2765 CB SER B 71 -14.133 -4.083 -16.584 1.00 0.82 C ATOM 2766 OG SER B 71 -14.083 -5.494 -16.748 1.00 1.48 O ATOM 0 H SER B 71 -12.867 -3.620 -13.811 1.00 0.70 H new ATOM 0 HA SER B 71 -14.363 -2.604 -15.056 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.879 -3.665 -17.260 1.00 0.82 H new ATOM 0 HB3 SER B 71 -13.172 -3.651 -16.863 1.00 0.82 H new ATOM 0 HG SER B 71 -14.476 -5.929 -15.962 1.00 1.48 H new ATOM 2772 N ASP B 72 -16.192 -4.106 -13.508 1.00 0.58 N ATOM 2773 CA ASP B 72 -17.529 -4.413 -13.020 1.00 0.65 C ATOM 2774 C ASP B 72 -18.009 -3.303 -12.100 1.00 0.56 C ATOM 2775 O ASP B 72 -19.206 -3.140 -11.856 1.00 0.66 O ATOM 2776 CB ASP B 72 -17.524 -5.746 -12.267 1.00 0.80 C ATOM 2777 CG ASP B 72 -18.909 -6.173 -11.820 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -19.622 -6.824 -12.613 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -19.295 -5.863 -10.675 1.00 1.56 O ATOM 0 H ASP B 72 -15.498 -3.972 -12.772 1.00 0.58 H new ATOM 0 HA ASP B 72 -18.205 -4.492 -13.871 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -17.100 -6.519 -12.908 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -16.875 -5.663 -11.395 1.00 0.80 H new ATOM 2784 N GLY B 73 -17.059 -2.515 -11.630 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.346 -1.504 -10.644 1.00 0.46 C ATOM 2786 C GLY B 73 -16.862 -1.922 -9.276 1.00 0.41 C ATOM 2787 O GLY B 73 -17.441 -1.538 -8.262 1.00 0.44 O ATOM 0 H GLY B 73 -16.082 -2.560 -11.920 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -16.869 -0.567 -10.931 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.420 -1.318 -10.612 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.796 -2.718 -9.246 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.251 -3.212 -7.996 1.00 0.37 C ATOM 2793 C GLN B 74 -13.744 -3.072 -7.994 1.00 0.36 C ATOM 2794 O GLN B 74 -13.101 -3.094 -9.045 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.587 -4.683 -7.774 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.024 -5.058 -8.078 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.318 -6.518 -7.800 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -16.744 -7.119 -6.896 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.202 -7.106 -8.587 1.00 1.25 N ATOM 0 H GLN B 74 -15.296 -3.032 -10.078 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.697 -2.619 -7.198 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -14.928 -5.290 -8.395 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.371 -4.938 -6.737 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.692 -4.437 -7.481 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.238 -4.841 -9.125 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -18.659 -6.574 -9.328 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.428 -8.092 -8.454 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.190 -2.965 -6.810 1.00 0.33 N ATOM 2809 CA LEU B 75 -11.758 -2.812 -6.641 1.00 0.31 C ATOM 2810 C LEU B 75 -11.168 -4.052 -6.030 1.00 0.32 C ATOM 2811 O LEU B 75 -11.533 -4.445 -4.928 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.450 -1.616 -5.754 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.111 -0.321 -6.192 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.516 0.855 -5.443 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.976 -0.155 -7.697 1.00 0.35 C ATOM 0 H LEU B 75 -13.715 -2.981 -5.936 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.316 -2.650 -7.624 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.765 -1.844 -4.736 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.370 -1.467 -5.728 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.173 -0.358 -5.951 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.000 1.776 -5.768 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.672 0.721 -4.373 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.447 0.915 -5.649 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.452 0.776 -8.005 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.920 -0.129 -7.967 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.459 -0.993 -8.200 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.250 -4.664 -6.734 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.625 -5.868 -6.224 1.00 0.36 C ATOM 2829 C ASP B 76 -8.441 -5.448 -5.377 1.00 0.33 C ATOM 2830 O ASP B 76 -8.047 -4.288 -5.428 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.236 -6.817 -7.366 1.00 0.44 C ATOM 2832 CG ASP B 76 -7.743 -6.831 -7.675 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.004 -7.628 -7.052 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -7.303 -6.057 -8.542 1.00 1.44 O ATOM 0 H ASP B 76 -9.919 -4.358 -7.649 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.321 -6.433 -5.605 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.554 -7.828 -7.110 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -9.781 -6.530 -8.265 1.00 0.44 H new ATOM 2839 N PHE B 77 -7.900 -6.358 -4.587 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.879 -6.004 -3.604 1.00 0.49 C ATOM 2841 C PHE B 77 -5.736 -5.232 -4.241 1.00 0.39 C ATOM 2842 O PHE B 77 -5.311 -4.202 -3.728 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.334 -7.252 -2.937 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.553 -6.954 -1.694 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.162 -6.358 -0.604 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -4.212 -7.269 -1.616 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -5.445 -6.079 0.541 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -3.491 -6.994 -0.474 1.00 3.67 C ATOM 2849 CZ PHE B 77 -4.107 -6.398 0.606 1.00 4.14 C ATOM 0 H PHE B 77 -8.147 -7.348 -4.603 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.352 -5.366 -2.857 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.162 -7.917 -2.690 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.696 -7.786 -3.642 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.212 -6.108 -0.650 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -3.722 -7.736 -2.458 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -5.932 -5.612 1.384 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -2.442 -7.246 -0.425 1.00 3.67 H new ATOM 0 HZ PHE B 77 -3.542 -6.182 1.500 1.00 4.14 H new ATOM 2859 N SER B 78 -5.269 -5.734 -5.366 1.00 0.38 N ATOM 2860 CA SER B 78 -4.179 -5.118 -6.104 1.00 0.38 C ATOM 2861 C SER B 78 -4.524 -3.681 -6.483 1.00 0.38 C ATOM 2862 O SER B 78 -3.666 -2.799 -6.492 1.00 0.44 O ATOM 2863 CB SER B 78 -3.928 -5.933 -7.361 1.00 0.44 C ATOM 2864 OG SER B 78 -4.359 -7.274 -7.180 1.00 1.32 O ATOM 0 H SER B 78 -5.634 -6.583 -5.798 1.00 0.38 H new ATOM 0 HA SER B 78 -3.286 -5.098 -5.479 1.00 0.38 H new ATOM 0 HB2 SER B 78 -4.457 -5.486 -8.203 1.00 0.44 H new ATOM 0 HB3 SER B 78 -2.866 -5.916 -7.606 1.00 0.44 H new ATOM 0 HG SER B 78 -5.285 -7.364 -7.487 1.00 1.32 H new ATOM 2870 N GLU B 79 -5.794 -3.455 -6.770 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.259 -2.149 -7.206 1.00 0.42 C ATOM 2872 C GLU B 79 -6.603 -1.274 -6.009 1.00 0.33 C ATOM 2873 O GLU B 79 -6.485 -0.054 -6.064 1.00 0.33 O ATOM 2874 CB GLU B 79 -7.459 -2.300 -8.123 1.00 0.51 C ATOM 2875 CG GLU B 79 -7.159 -3.122 -9.364 1.00 0.64 C ATOM 2876 CD GLU B 79 -6.046 -2.544 -10.217 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -6.302 -1.588 -10.979 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -4.911 -3.062 -10.148 1.00 2.57 O ATOM 0 H GLU B 79 -6.526 -4.163 -6.709 1.00 0.36 H new ATOM 0 HA GLU B 79 -5.457 -1.662 -7.761 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.274 -2.769 -7.572 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -7.806 -1.311 -8.424 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -6.888 -4.134 -9.063 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.064 -3.200 -9.966 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.030 -1.906 -4.928 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.215 -1.218 -3.661 1.00 0.25 C ATOM 2887 C PHE B 80 -5.869 -0.704 -3.168 1.00 0.23 C ATOM 2888 O PHE B 80 -5.782 0.308 -2.479 1.00 0.26 O ATOM 2889 CB PHE B 80 -7.831 -2.165 -2.631 1.00 0.31 C ATOM 2890 CG PHE B 80 -7.988 -1.565 -1.261 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -9.035 -0.701 -0.982 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -7.088 -1.869 -0.252 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -9.179 -0.150 0.276 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -7.227 -1.321 1.007 1.00 1.56 C ATOM 2895 CZ PHE B 80 -8.273 -0.459 1.270 1.00 1.64 C ATOM 0 H PHE B 80 -7.256 -2.900 -4.903 1.00 0.28 H new ATOM 0 HA PHE B 80 -7.893 -0.376 -3.801 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -8.809 -2.487 -2.989 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.209 -3.057 -2.556 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.746 -0.456 -1.757 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -6.268 -2.543 -0.453 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -9.999 0.522 0.482 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -6.519 -1.566 1.785 1.00 1.56 H new ATOM 0 HZ PHE B 80 -8.382 -0.027 2.254 1.00 1.64 H new ATOM 2905 N LEU B 81 -4.818 -1.413 -3.531 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.471 -0.991 -3.205 1.00 0.26 C ATOM 2907 C LEU B 81 -3.009 0.081 -4.167 1.00 0.26 C ATOM 2908 O LEU B 81 -2.233 0.960 -3.801 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.527 -2.174 -3.245 1.00 0.29 C ATOM 2910 CG LEU B 81 -2.916 -3.314 -2.310 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -1.931 -4.448 -2.435 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.018 -2.822 -0.864 1.00 0.29 C ATOM 0 H LEU B 81 -4.872 -2.287 -4.054 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.470 -0.577 -2.197 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.482 -2.555 -4.265 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.524 -1.834 -2.987 1.00 0.29 H new ATOM 0 HG LEU B 81 -3.899 -3.684 -2.600 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.219 -5.256 -1.763 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -1.926 -4.814 -3.462 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -0.934 -4.095 -2.171 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.297 -3.653 -0.216 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.055 -2.422 -0.547 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.775 -2.041 -0.798 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.487 0.002 -5.400 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.274 1.084 -6.351 1.00 0.26 C ATOM 2926 C ASN B 82 -3.923 2.344 -5.800 1.00 0.23 C ATOM 2927 O ASN B 82 -3.411 3.454 -5.946 1.00 0.24 O ATOM 2928 CB ASN B 82 -3.874 0.748 -7.726 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.505 1.768 -8.792 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -4.282 2.035 -9.710 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -2.305 2.323 -8.700 1.00 1.42 N ATOM 0 H ASN B 82 -4.019 -0.789 -5.763 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.203 1.232 -6.486 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -3.529 -0.238 -8.037 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.959 0.694 -7.641 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -1.999 2.995 -9.403 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -1.688 2.078 -7.926 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.065 2.140 -5.159 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.742 3.178 -4.412 1.00 0.24 C ATOM 2940 C LEU B 83 -4.846 3.717 -3.309 1.00 0.23 C ATOM 2941 O LEU B 83 -4.651 4.926 -3.195 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.014 2.616 -3.799 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.594 3.460 -2.673 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.168 4.759 -3.214 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.633 2.680 -1.888 1.00 0.36 C ATOM 0 H LEU B 83 -5.547 1.241 -5.146 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.987 3.993 -5.094 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.765 2.511 -4.582 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.808 1.616 -3.418 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.786 3.713 -1.987 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.577 5.346 -2.392 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.380 5.327 -3.709 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.959 4.537 -3.930 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -9.031 3.306 -1.090 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.443 2.381 -2.553 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.172 1.792 -1.457 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.316 2.808 -2.491 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.367 3.171 -1.446 1.00 0.26 C ATOM 2959 C ILE B 84 -2.212 3.967 -2.043 1.00 0.27 C ATOM 2960 O ILE B 84 -1.648 4.837 -1.390 1.00 0.29 O ATOM 2961 CB ILE B 84 -2.862 1.916 -0.679 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.659 1.731 0.616 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.371 1.998 -0.367 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.140 1.511 0.404 1.00 0.62 C ATOM 0 H ILE B 84 -4.531 1.812 -2.535 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.877 3.802 -0.718 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.016 1.054 -1.328 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.251 0.881 1.163 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.520 2.611 1.244 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.062 1.101 0.169 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.808 2.077 -1.297 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.176 2.875 0.250 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.632 1.389 1.369 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.565 2.371 -0.114 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.292 0.614 -0.197 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.895 3.683 -3.298 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.938 4.478 -4.020 1.00 0.29 C ATOM 2978 C GLY B 85 -1.382 5.921 -4.140 1.00 0.28 C ATOM 2979 O GLY B 85 -0.699 6.813 -3.662 1.00 0.32 O ATOM 0 H GLY B 85 -2.291 2.907 -3.829 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.026 4.435 -3.513 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.794 4.058 -5.015 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.571 6.143 -4.692 1.00 0.27 N ATOM 2984 CA GLY B 86 -3.027 7.502 -4.960 1.00 0.30 C ATOM 2985 C GLY B 86 -3.276 8.263 -3.679 1.00 0.29 C ATOM 2986 O GLY B 86 -3.220 9.494 -3.640 1.00 0.34 O ATOM 0 H GLY B 86 -3.228 5.410 -4.959 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -2.281 8.026 -5.557 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.943 7.470 -5.550 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.542 7.506 -2.634 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.741 8.038 -1.301 1.00 0.25 C ATOM 2992 C LEU B 87 -2.406 8.444 -0.692 1.00 0.26 C ATOM 2993 O LEU B 87 -2.165 9.616 -0.389 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.370 6.954 -0.437 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.837 6.637 -0.713 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.198 5.302 -0.094 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.732 7.728 -0.153 1.00 0.35 C ATOM 0 H LEU B 87 -3.627 6.491 -2.687 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.388 8.913 -1.352 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.792 6.038 -0.563 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.275 7.250 0.608 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.987 6.586 -1.791 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.246 5.080 -0.294 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.573 4.520 -0.525 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.035 5.344 0.983 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.774 7.485 -0.359 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.583 7.803 0.924 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.482 8.680 -0.621 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.532 7.456 -0.556 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.235 7.639 0.070 1.00 0.27 C ATOM 3011 C ALA B 88 0.576 8.683 -0.644 1.00 0.29 C ATOM 3012 O ALA B 88 1.227 9.506 -0.023 1.00 0.35 O ATOM 3013 CB ALA B 88 0.544 6.347 0.058 1.00 0.26 C ATOM 0 H ALA B 88 -1.705 6.504 -0.878 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.417 7.961 1.095 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.514 6.502 0.531 1.00 0.26 H new ATOM 0 HB2 ALA B 88 -0.009 5.584 0.606 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.691 6.020 -0.971 1.00 0.26 H new ATOM 3019 N MET B 89 0.539 8.621 -1.958 1.00 0.29 N ATOM 3020 CA MET B 89 1.307 9.516 -2.795 1.00 0.32 C ATOM 3021 C MET B 89 0.969 10.966 -2.503 1.00 0.34 C ATOM 3022 O MET B 89 1.845 11.826 -2.501 1.00 0.39 O ATOM 3023 CB MET B 89 1.044 9.195 -4.257 1.00 0.34 C ATOM 3024 CG MET B 89 1.689 7.900 -4.709 1.00 0.42 C ATOM 3025 SD MET B 89 1.333 7.528 -6.442 1.00 1.03 S ATOM 3026 CE MET B 89 1.836 9.053 -7.244 1.00 1.89 C ATOM 0 H MET B 89 -0.025 7.948 -2.476 1.00 0.29 H new ATOM 0 HA MET B 89 2.365 9.373 -2.577 1.00 0.32 H new ATOM 0 HB2 MET B 89 -0.032 9.134 -4.421 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.415 10.013 -4.874 1.00 0.34 H new ATOM 0 HG2 MET B 89 2.768 7.965 -4.567 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.334 7.081 -4.083 1.00 0.42 H new ATOM 0 HE1 MET B 89 2.014 8.866 -8.303 1.00 1.89 H new ATOM 0 HE2 MET B 89 1.048 9.798 -7.135 1.00 1.89 H new ATOM 0 HE3 MET B 89 2.751 9.422 -6.782 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.296 11.223 -2.220 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.753 12.569 -1.919 1.00 0.39 C ATOM 3038 C ALA B 90 -0.271 13.006 -0.539 1.00 0.42 C ATOM 3039 O ALA B 90 0.178 14.137 -0.352 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.268 12.631 -2.003 1.00 0.46 C ATOM 0 H ALA B 90 -1.028 10.514 -2.192 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.333 13.255 -2.654 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.604 13.643 -1.776 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.588 12.359 -3.009 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.701 11.935 -1.284 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.347 12.089 0.416 1.00 0.41 N ATOM 3047 CA CYS B 91 0.062 12.364 1.788 1.00 0.47 C ATOM 3048 C CYS B 91 1.584 12.427 1.917 1.00 0.44 C ATOM 3049 O CYS B 91 2.112 13.142 2.765 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.511 11.294 2.719 1.00 0.55 C ATOM 3051 SG CYS B 91 -2.318 11.269 2.771 1.00 1.76 S ATOM 0 H CYS B 91 -0.691 11.141 0.264 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.330 13.340 2.074 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -0.152 10.316 2.399 1.00 0.55 H new ATOM 0 HB3 CYS B 91 -0.129 11.459 3.727 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.716 10.333 3.581 1.00 1.76 H new ATOM 3057 N HIS B 92 2.280 11.683 1.072 1.00 0.41 N ATOM 3058 CA HIS B 92 3.734 11.699 1.049 1.00 0.46 C ATOM 3059 C HIS B 92 4.215 12.941 0.324 1.00 0.45 C ATOM 3060 O HIS B 92 5.207 13.547 0.709 1.00 0.49 O ATOM 3061 CB HIS B 92 4.280 10.444 0.366 1.00 0.54 C ATOM 3062 CG HIS B 92 5.778 10.384 0.304 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.693 10.049 1.245 1.00 2.12 N flip ATOM 3064 CD2 HIS B 92 6.496 10.681 -0.830 1.00 1.96 C flip ATOM 3065 CE1 HIS B 92 7.933 10.148 0.664 1.00 2.74 C flip ATOM 3066 NE2 HIS B 92 7.782 10.529 -0.589 1.00 2.62 N flip ATOM 0 H HIS B 92 1.857 11.056 0.388 1.00 0.41 H new ATOM 0 HA HIS B 92 4.102 11.713 2.075 1.00 0.46 H new ATOM 0 HB2 HIS B 92 3.913 9.566 0.897 1.00 0.54 H new ATOM 0 HB3 HIS B 92 3.883 10.393 -0.648 1.00 0.54 H new ATOM 0 HD1 HIS B 92 6.497 9.774 2.207 1.00 2.12 H new ATOM 0 HD2 HIS B 92 6.071 10.991 -1.773 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.875 9.947 1.152 1.00 2.74 H new ATOM 3075 N ASP B 93 3.504 13.312 -0.726 1.00 0.45 N ATOM 3076 CA ASP B 93 3.767 14.564 -1.414 1.00 0.52 C ATOM 3077 C ASP B 93 3.567 15.717 -0.437 1.00 0.56 C ATOM 3078 O ASP B 93 4.357 16.653 -0.385 1.00 0.65 O ATOM 3079 CB ASP B 93 2.835 14.706 -2.616 1.00 0.54 C ATOM 3080 CG ASP B 93 3.077 15.980 -3.397 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.977 15.987 -4.262 1.00 1.74 O ATOM 3082 OD2 ASP B 93 2.355 16.974 -3.163 1.00 1.48 O ATOM 0 H ASP B 93 2.740 12.764 -1.121 1.00 0.45 H new ATOM 0 HA ASP B 93 4.794 14.578 -1.779 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.968 13.849 -3.277 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.801 14.686 -2.273 1.00 0.54 H new ATOM 3087 N SER B 94 2.517 15.598 0.367 1.00 0.54 N ATOM 3088 CA SER B 94 2.234 16.544 1.435 1.00 0.60 C ATOM 3089 C SER B 94 3.369 16.528 2.447 1.00 0.63 C ATOM 3090 O SER B 94 3.789 17.562 2.938 1.00 0.70 O ATOM 3091 CB SER B 94 0.932 16.155 2.131 1.00 0.65 C ATOM 3092 OG SER B 94 0.443 17.197 2.960 1.00 1.26 O ATOM 0 H SER B 94 1.838 14.841 0.295 1.00 0.54 H new ATOM 0 HA SER B 94 2.138 17.544 1.012 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.181 15.904 1.382 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.095 15.260 2.731 1.00 0.65 H new ATOM 0 HG SER B 94 -0.392 16.911 3.387 1.00 1.26 H new ATOM 3098 N PHE B 95 3.852 15.329 2.738 1.00 0.60 N ATOM 3099 CA PHE B 95 4.964 15.120 3.653 1.00 0.67 C ATOM 3100 C PHE B 95 6.188 15.890 3.177 1.00 0.73 C ATOM 3101 O PHE B 95 6.915 16.472 3.971 1.00 0.84 O ATOM 3102 CB PHE B 95 5.264 13.622 3.722 1.00 0.64 C ATOM 3103 CG PHE B 95 6.306 13.226 4.722 1.00 0.78 C ATOM 3104 CD1 PHE B 95 6.093 13.408 6.078 1.00 1.29 C ATOM 3105 CD2 PHE B 95 7.491 12.647 4.304 1.00 1.80 C ATOM 3106 CE1 PHE B 95 7.046 13.017 6.998 1.00 1.76 C ATOM 3107 CE2 PHE B 95 8.447 12.259 5.217 1.00 2.35 C ATOM 3108 CZ PHE B 95 8.225 12.444 6.565 1.00 2.07 C ATOM 0 H PHE B 95 3.479 14.466 2.342 1.00 0.60 H new ATOM 0 HA PHE B 95 4.703 15.486 4.646 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.340 13.093 3.955 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.584 13.286 2.736 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.173 13.860 6.419 1.00 1.29 H new ATOM 0 HD2 PHE B 95 7.669 12.497 3.249 1.00 1.80 H new ATOM 0 HE1 PHE B 95 6.869 13.159 8.054 1.00 1.76 H new ATOM 0 HE2 PHE B 95 9.369 11.811 4.877 1.00 2.35 H new ATOM 0 HZ PHE B 95 8.973 12.141 7.282 1.00 2.07 H new ATOM 3118 N LEU B 96 6.384 15.899 1.868 1.00 0.69 N ATOM 3119 CA LEU B 96 7.470 16.646 1.245 1.00 0.81 C ATOM 3120 C LEU B 96 7.235 18.138 1.394 1.00 0.91 C ATOM 3121 O LEU B 96 8.146 18.900 1.718 1.00 1.09 O ATOM 3122 CB LEU B 96 7.572 16.286 -0.240 1.00 0.83 C ATOM 3123 CG LEU B 96 8.470 15.090 -0.587 1.00 0.87 C ATOM 3124 CD1 LEU B 96 9.935 15.471 -0.460 1.00 1.22 C ATOM 3125 CD2 LEU B 96 8.166 13.892 0.296 1.00 1.08 C ATOM 0 H LEU B 96 5.797 15.390 1.207 1.00 0.69 H new ATOM 0 HA LEU B 96 8.403 16.382 1.743 1.00 0.81 H new ATOM 0 HB2 LEU B 96 6.568 16.080 -0.612 1.00 0.83 H new ATOM 0 HB3 LEU B 96 7.940 17.159 -0.780 1.00 0.83 H new ATOM 0 HG LEU B 96 8.262 14.810 -1.620 1.00 0.87 H new ATOM 0 HD11 LEU B 96 10.557 14.612 -0.710 1.00 1.22 H new ATOM 0 HD12 LEU B 96 10.158 16.291 -1.142 1.00 1.22 H new ATOM 0 HD13 LEU B 96 10.142 15.784 0.563 1.00 1.22 H new ATOM 0 HD21 LEU B 96 8.820 13.064 0.023 1.00 1.08 H new ATOM 0 HD22 LEU B 96 8.333 14.158 1.340 1.00 1.08 H new ATOM 0 HD23 LEU B 96 7.126 13.594 0.160 1.00 1.08 H new ATOM 3137 N LYS B 97 5.995 18.536 1.167 1.00 0.83 N ATOM 3138 CA LYS B 97 5.604 19.932 1.238 1.00 0.94 C ATOM 3139 C LYS B 97 5.609 20.425 2.682 1.00 0.98 C ATOM 3140 O LYS B 97 5.821 21.608 2.951 1.00 1.14 O ATOM 3141 CB LYS B 97 4.223 20.102 0.610 1.00 0.94 C ATOM 3142 CG LYS B 97 4.188 19.638 -0.834 1.00 0.99 C ATOM 3143 CD LYS B 97 5.044 20.509 -1.740 1.00 1.25 C ATOM 3144 CE LYS B 97 4.388 21.848 -2.012 1.00 2.06 C ATOM 3145 NZ LYS B 97 3.137 21.700 -2.803 1.00 2.65 N ATOM 0 H LYS B 97 5.233 17.901 0.929 1.00 0.83 H new ATOM 0 HA LYS B 97 6.325 20.533 0.684 1.00 0.94 H new ATOM 0 HB2 LYS B 97 3.491 19.538 1.189 1.00 0.94 H new ATOM 0 HB3 LYS B 97 3.930 21.151 0.660 1.00 0.94 H new ATOM 0 HG2 LYS B 97 4.536 18.607 -0.891 1.00 0.99 H new ATOM 0 HG3 LYS B 97 3.158 19.647 -1.192 1.00 0.99 H new ATOM 0 HD2 LYS B 97 6.018 20.668 -1.278 1.00 1.25 H new ATOM 0 HD3 LYS B 97 5.219 19.991 -2.683 1.00 1.25 H new ATOM 0 HE2 LYS B 97 4.164 22.342 -1.066 1.00 2.06 H new ATOM 0 HE3 LYS B 97 5.084 22.491 -2.550 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 2.902 22.607 -3.254 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 3.273 20.975 -3.536 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 2.360 21.414 -2.173 1.00 2.65 H new ATOM 3159 N ALA B 98 5.392 19.500 3.602 1.00 0.99 N ATOM 3160 CA ALA B 98 5.326 19.812 5.018 1.00 1.07 C ATOM 3161 C ALA B 98 6.704 19.742 5.666 1.00 1.10 C ATOM 3162 O ALA B 98 7.259 20.760 6.076 1.00 1.24 O ATOM 3163 CB ALA B 98 4.359 18.865 5.716 1.00 1.01 C ATOM 0 H ALA B 98 5.257 18.512 3.387 1.00 0.99 H new ATOM 0 HA ALA B 98 4.962 20.834 5.125 1.00 1.07 H new ATOM 0 HB1 ALA B 98 4.316 19.107 6.778 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.366 18.972 5.279 1.00 1.01 H new ATOM 0 HB3 ALA B 98 4.702 17.838 5.591 1.00 1.01 H new ATOM 3169 N VAL B 99 7.258 18.536 5.731 1.00 1.01 N ATOM 3170 CA VAL B 99 8.541 18.296 6.378 1.00 1.07 C ATOM 3171 C VAL B 99 8.942 16.824 6.222 1.00 1.01 C ATOM 3172 O VAL B 99 8.609 15.967 7.042 1.00 1.02 O ATOM 3173 CB VAL B 99 8.519 18.712 7.875 1.00 1.17 C ATOM 3174 CG1 VAL B 99 7.375 18.043 8.630 1.00 1.14 C ATOM 3175 CG2 VAL B 99 9.856 18.413 8.538 1.00 1.25 C ATOM 0 H VAL B 99 6.830 17.698 5.337 1.00 1.01 H new ATOM 0 HA VAL B 99 9.288 18.918 5.885 1.00 1.07 H new ATOM 0 HB VAL B 99 8.349 19.788 7.914 1.00 1.17 H new ATOM 0 HG11 VAL B 99 7.393 18.359 9.673 1.00 1.14 H new ATOM 0 HG12 VAL B 99 6.425 18.331 8.180 1.00 1.14 H new ATOM 0 HG13 VAL B 99 7.488 16.960 8.577 1.00 1.14 H new ATOM 0 HG21 VAL B 99 9.818 18.712 9.585 1.00 1.25 H new ATOM 0 HG22 VAL B 99 10.063 17.345 8.473 1.00 1.25 H new ATOM 0 HG23 VAL B 99 10.646 18.967 8.031 1.00 1.25 H new ATOM 3185 N PRO B 100 9.679 16.510 5.154 1.00 1.01 N ATOM 3186 CA PRO B 100 9.992 15.138 4.796 1.00 1.02 C ATOM 3187 C PRO B 100 11.237 14.606 5.494 1.00 1.28 C ATOM 3188 O PRO B 100 11.922 13.720 4.982 1.00 1.60 O ATOM 3189 CB PRO B 100 10.189 15.219 3.288 1.00 1.04 C ATOM 3190 CG PRO B 100 10.650 16.619 3.018 1.00 1.04 C ATOM 3191 CD PRO B 100 10.267 17.467 4.209 1.00 1.07 C ATOM 0 HA PRO B 100 9.209 14.444 5.101 1.00 1.02 H new ATOM 0 HB2 PRO B 100 10.926 14.491 2.949 1.00 1.04 H new ATOM 0 HB3 PRO B 100 9.261 15.003 2.759 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.729 16.643 2.862 1.00 1.04 H new ATOM 0 HG3 PRO B 100 10.188 17.005 2.109 1.00 1.04 H new ATOM 0 HD2 PRO B 100 11.135 17.968 4.637 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.554 18.244 3.933 1.00 1.07 H new ATOM 3199 N SER B 101 11.522 15.148 6.665 1.00 1.57 N ATOM 3200 CA SER B 101 12.593 14.635 7.501 1.00 1.88 C ATOM 3201 C SER B 101 12.017 13.709 8.565 1.00 1.62 C ATOM 3202 O SER B 101 12.752 13.077 9.325 1.00 1.94 O ATOM 3203 CB SER B 101 13.357 15.788 8.150 1.00 2.76 C ATOM 3204 OG SER B 101 13.850 16.682 7.163 1.00 3.39 O ATOM 0 H SER B 101 11.025 15.946 7.060 1.00 1.57 H new ATOM 0 HA SER B 101 13.289 14.069 6.882 1.00 1.88 H new ATOM 0 HB2 SER B 101 12.702 16.323 8.838 1.00 2.76 H new ATOM 0 HB3 SER B 101 14.186 15.396 8.739 1.00 2.76 H new ATOM 0 HG SER B 101 14.335 17.414 7.598 1.00 3.39 H new ATOM 3210 N GLN B 102 10.680 13.645 8.585 1.00 1.61 N ATOM 3211 CA GLN B 102 9.916 12.813 9.514 1.00 2.12 C ATOM 3212 C GLN B 102 9.993 13.348 10.938 1.00 2.74 C ATOM 3213 O GLN B 102 11.064 13.422 11.537 1.00 3.39 O ATOM 3214 CB GLN B 102 10.377 11.351 9.469 1.00 2.47 C ATOM 3215 CG GLN B 102 9.642 10.455 10.453 1.00 3.01 C ATOM 3216 CD GLN B 102 10.049 9.001 10.343 1.00 3.87 C ATOM 3217 OE1 GLN B 102 11.175 8.683 9.962 1.00 4.45 O ATOM 3218 NE2 GLN B 102 9.133 8.110 10.681 1.00 4.44 N ATOM 0 H GLN B 102 10.092 14.179 7.945 1.00 1.61 H new ATOM 0 HA GLN B 102 8.875 12.853 9.192 1.00 2.12 H new ATOM 0 HB2 GLN B 102 10.234 10.964 8.460 1.00 2.47 H new ATOM 0 HB3 GLN B 102 11.446 11.308 9.679 1.00 2.47 H new ATOM 0 HG2 GLN B 102 9.833 10.805 11.468 1.00 3.01 H new ATOM 0 HG3 GLN B 102 8.569 10.541 10.283 1.00 3.01 H new ATOM 0 HE21 GLN B 102 8.212 8.418 10.992 1.00 4.44 H new ATOM 0 HE22 GLN B 102 9.347 7.114 10.631 1.00 4.44 H new ATOM 3227 N LYS B 103 8.845 13.733 11.469 1.00 3.15 N ATOM 3228 CA LYS B 103 8.752 14.167 12.850 1.00 4.07 C ATOM 3229 C LYS B 103 8.212 13.033 13.707 1.00 4.57 C ATOM 3230 O LYS B 103 7.025 12.996 14.037 1.00 5.24 O ATOM 3231 CB LYS B 103 7.854 15.399 12.977 1.00 4.74 C ATOM 3232 CG LYS B 103 8.373 16.614 12.224 1.00 5.31 C ATOM 3233 CD LYS B 103 7.443 17.809 12.376 1.00 6.26 C ATOM 3234 CE LYS B 103 7.349 18.278 13.821 1.00 6.83 C ATOM 3235 NZ LYS B 103 8.662 18.739 14.345 1.00 7.43 N ATOM 0 H LYS B 103 7.961 13.753 10.961 1.00 3.15 H new ATOM 0 HA LYS B 103 9.749 14.439 13.197 1.00 4.07 H new ATOM 0 HB2 LYS B 103 6.859 15.152 12.608 1.00 4.74 H new ATOM 0 HB3 LYS B 103 7.749 15.654 14.032 1.00 4.74 H new ATOM 0 HG2 LYS B 103 9.365 16.875 12.594 1.00 5.31 H new ATOM 0 HG3 LYS B 103 8.481 16.369 11.167 1.00 5.31 H new ATOM 0 HD2 LYS B 103 7.800 18.628 11.752 1.00 6.26 H new ATOM 0 HD3 LYS B 103 6.449 17.543 12.016 1.00 6.26 H new ATOM 0 HE2 LYS B 103 6.625 19.090 13.892 1.00 6.83 H new ATOM 0 HE3 LYS B 103 6.976 17.464 14.443 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 8.521 19.234 15.249 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 9.284 17.919 14.493 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 9.101 19.387 13.660 1.00 7.43 H new ATOM 3249 N ARG B 104 9.083 12.094 14.037 1.00 4.69 N ATOM 3250 CA ARG B 104 8.701 10.954 14.851 1.00 5.54 C ATOM 3251 C ARG B 104 8.407 11.403 16.276 1.00 5.67 C ATOM 3252 O ARG B 104 9.295 11.867 16.990 1.00 5.97 O ATOM 3253 CB ARG B 104 9.802 9.890 14.840 1.00 6.11 C ATOM 3254 CG ARG B 104 9.466 8.655 15.661 1.00 6.81 C ATOM 3255 CD ARG B 104 10.560 7.604 15.567 1.00 7.63 C ATOM 3256 NE ARG B 104 11.855 8.108 16.031 1.00 8.12 N ATOM 3257 CZ ARG B 104 12.985 7.401 15.996 1.00 8.95 C ATOM 3258 NH1 ARG B 104 12.976 6.147 15.555 1.00 9.34 N ATOM 3259 NH2 ARG B 104 14.125 7.939 16.412 1.00 9.59 N ATOM 0 H ARG B 104 10.062 12.100 13.752 1.00 4.69 H new ATOM 0 HA ARG B 104 7.798 10.513 14.430 1.00 5.54 H new ATOM 0 HB2 ARG B 104 9.995 9.590 13.810 1.00 6.11 H new ATOM 0 HB3 ARG B 104 10.724 10.329 15.221 1.00 6.11 H new ATOM 0 HG2 ARG B 104 9.322 8.939 16.704 1.00 6.81 H new ATOM 0 HG3 ARG B 104 8.524 8.232 15.313 1.00 6.81 H new ATOM 0 HD2 ARG B 104 10.277 6.734 16.160 1.00 7.63 H new ATOM 0 HD3 ARG B 104 10.652 7.269 14.534 1.00 7.63 H new ATOM 0 HE ARG B 104 11.895 9.057 16.403 1.00 8.12 H new ATOM 0 HH11 ARG B 104 12.103 5.723 15.242 1.00 9.34 H new ATOM 0 HH12 ARG B 104 13.842 5.609 15.530 1.00 9.34 H new ATOM 0 HH21 ARG B 104 14.139 8.897 16.761 1.00 9.59 H new ATOM 0 HH22 ARG B 104 14.987 7.394 16.383 1.00 9.59 H new ATOM 3273 N THR B 105 7.154 11.297 16.668 1.00 5.80 N ATOM 3274 CA THR B 105 6.740 11.666 18.005 1.00 6.20 C ATOM 3275 C THR B 105 5.792 10.608 18.559 1.00 6.46 C ATOM 3276 O THR B 105 6.282 9.638 19.174 1.00 6.81 O ATOM 3277 CB THR B 105 6.054 13.049 18.008 1.00 6.59 C ATOM 3278 OG1 THR B 105 6.882 14.002 17.324 1.00 6.66 O ATOM 3279 CG2 THR B 105 5.797 13.528 19.429 1.00 7.01 C ATOM 3280 OXT THR B 105 4.568 10.725 18.341 1.00 6.62 O ATOM 0 H THR B 105 6.399 10.955 16.073 1.00 5.80 H new ATOM 0 HA THR B 105 7.625 11.726 18.639 1.00 6.20 H new ATOM 0 HB THR B 105 5.096 12.956 17.496 1.00 6.59 H new ATOM 0 HG1 THR B 105 6.443 14.878 17.326 1.00 6.66 H new ATOM 0 HG21 THR B 105 5.313 14.504 19.402 1.00 7.01 H new ATOM 0 HG22 THR B 105 5.150 12.816 19.941 1.00 7.01 H new ATOM 0 HG23 THR B 105 6.744 13.607 19.963 1.00 7.01 H new TER 3288 THR B 105