USER MOD reduce.3.24.130724 H: found=0, std=0, add=1176, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1179 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: B 49 ASN : amide:sc= -2.63 X(o=-1.9,f=-2) USER MOD Set 1.2: B 51 THR OG1 : rot 96:sc= 0.702 USER MOD Set 2.1: A 55 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.4!) USER MOD Set 2.2: B 25 LYS NZ :NH3+ -167:sc= -0.0057 (180deg=-0.126) USER MOD Set 3.1: A 49 ASN :FLIP amide:sc= -1.81 F(o=-2.8,f=-1.8) USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -1.32 (180deg=-1.93) USER MOD Single : A 14 TYR OH : rot 42:sc= 1.13 USER MOD Single : A 20 SER OG : rot 180:sc= -1.23 USER MOD Single : A 21 HIS :FLIP no HE2:sc= -1.83 F(o=-4.1!,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0108 K(o=-0.011,f=-0.92) USER MOD Single : A 31 SER OG : rot 100:sc= -0.363 USER MOD Single : A 38 ASN : amide:sc= 0.00469 X(o=0.0047,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0578) USER MOD Single : A 53 THR OG1 : rot 119:sc= -0.511 USER MOD Single : A 56 MET CE :methyl -158:sc= -1.85 (180deg=-3.71!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 68 SER OG : rot 84:sc= -0.748 USER MOD Single : A 69 LYS NZ :NH3+ 131:sc= 1.23 (180deg=-0.114) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -166:sc= 0 (180deg=-0.365) USER MOD Single : A 77 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.11) USER MOD Single : B 1 THR N :NH3+ -138:sc= 0.382 (180deg=0.000164) USER MOD Single : B 1 THR OG1 : rot 125:sc= 0.889 USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 TYR OH : rot -163:sc= 1.1 USER MOD Single : B 20 SER OG : rot 160:sc= -1.09 USER MOD Single : B 21 HIS :FLIP no HE2:sc= -1.6! C(o=-2.3!,f=-1.6!) USER MOD Single : B 28 SER OG : rot 164:sc= -2.18 USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : B 31 SER OG : rot 123:sc= 0.739 USER MOD Single : B 38 ASN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 47 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.262) USER MOD Single : B 53 THR OG1 : rot 120:sc= -0.0734 USER MOD Single : B 55 ASN : amide:sc= -0.67 K(o=-0.67,f=-6.4!) USER MOD Single : B 56 MET CE :methyl 149:sc= -1.88 (180deg=-3.51!) USER MOD Single : B 57 SER OG : rot 180:sc=-0.00831 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.113 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc=-0.000852 (180deg=-0.000852) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : B 68 SER OG : rot 88:sc= -0.283 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.352) USER MOD Single : B 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 MET CE :methyl -164:sc= -2.25! (180deg=-2.59!) USER MOD Single : B 77 GLN : amide:sc= -0.985 K(o=-0.98,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 15.437 -2.818 5.641 1.00 0.00 N ATOM 18 CA LYS A 2 15.723 -1.389 5.752 1.00 0.00 C ATOM 19 C LYS A 2 16.660 -0.937 4.634 1.00 0.00 C ATOM 20 O LYS A 2 17.643 -1.611 4.325 1.00 0.00 O ATOM 21 CB LYS A 2 16.344 -1.070 7.116 1.00 0.00 C ATOM 22 CG LYS A 2 15.511 -0.112 7.956 1.00 0.00 C ATOM 23 CD LYS A 2 16.381 0.756 8.855 1.00 0.00 C ATOM 24 CE LYS A 2 16.909 -0.025 10.052 1.00 0.00 C ATOM 25 NZ LYS A 2 18.296 -0.527 9.832 1.00 0.00 N ATOM 0 HA LYS A 2 14.782 -0.847 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.482 -1.999 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.334 -0.640 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.918 0.525 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.810 -0.680 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.219 1.151 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.803 1.611 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.892 0.613 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.248 -0.868 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.613 -1.052 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.310 -1.157 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.934 0.277 9.665 1.00 0.00 H new ATOM 39 N VAL A 3 16.346 0.212 4.034 1.00 0.00 N ATOM 40 CA VAL A 3 17.152 0.763 2.950 1.00 0.00 C ATOM 41 C VAL A 3 18.012 1.924 3.444 1.00 0.00 C ATOM 42 O VAL A 3 17.516 2.830 4.114 1.00 0.00 O ATOM 43 CB VAL A 3 16.271 1.255 1.780 1.00 0.00 C ATOM 44 CG1 VAL A 3 17.124 1.556 0.559 1.00 0.00 C ATOM 45 CG2 VAL A 3 15.191 0.233 1.446 1.00 0.00 C ATOM 0 H VAL A 3 15.536 0.779 4.283 1.00 0.00 H new ATOM 0 HA VAL A 3 17.795 -0.042 2.595 1.00 0.00 H new ATOM 0 HB VAL A 3 15.778 2.177 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.486 1.901 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.850 2.331 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.649 0.652 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.584 0.602 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.658 -0.710 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.558 0.075 2.319 1.00 0.00 H new ATOM 55 N THR A 4 19.304 1.893 3.111 1.00 0.00 N ATOM 56 CA THR A 4 20.226 2.947 3.527 1.00 0.00 C ATOM 57 C THR A 4 21.023 3.485 2.335 1.00 0.00 C ATOM 58 O THR A 4 21.938 2.827 1.839 1.00 0.00 O ATOM 59 CB THR A 4 21.173 2.428 4.615 1.00 0.00 C ATOM 60 OG1 THR A 4 20.471 1.631 5.557 1.00 0.00 O ATOM 61 CG2 THR A 4 21.863 3.533 5.384 1.00 0.00 C ATOM 0 H THR A 4 19.732 1.152 2.557 1.00 0.00 H new ATOM 0 HA THR A 4 19.638 3.769 3.937 1.00 0.00 H new ATOM 0 HB THR A 4 21.926 1.845 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 4 21.094 1.309 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 4 22.518 3.097 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 4 22.453 4.140 4.698 1.00 0.00 H new ATOM 0 HG23 THR A 4 21.115 4.159 5.871 1.00 0.00 H new ATOM 69 N LEU A 5 20.665 4.689 1.889 1.00 0.00 N ATOM 70 CA LEU A 5 21.336 5.334 0.761 1.00 0.00 C ATOM 71 C LEU A 5 22.445 6.267 1.248 1.00 0.00 C ATOM 72 O LEU A 5 22.424 6.722 2.393 1.00 0.00 O ATOM 73 CB LEU A 5 20.328 6.135 -0.076 1.00 0.00 C ATOM 74 CG LEU A 5 19.219 5.316 -0.749 1.00 0.00 C ATOM 75 CD1 LEU A 5 19.799 4.106 -1.472 1.00 0.00 C ATOM 76 CD2 LEU A 5 18.178 4.883 0.273 1.00 0.00 C ATOM 0 H LEU A 5 19.909 5.240 2.295 1.00 0.00 H new ATOM 0 HA LEU A 5 21.778 4.552 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 5 19.863 6.882 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 5 20.874 6.676 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 5 18.731 5.950 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 5 18.993 3.542 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 5 20.500 4.441 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 5 20.319 3.469 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.400 4.303 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.653 4.271 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.734 5.764 0.736 1.00 0.00 H new ATOM 88 N VAL A 6 23.407 6.553 0.370 1.00 0.00 N ATOM 89 CA VAL A 6 24.518 7.439 0.713 1.00 0.00 C ATOM 90 C VAL A 6 24.756 8.479 -0.382 1.00 0.00 C ATOM 91 O VAL A 6 25.339 8.179 -1.424 1.00 0.00 O ATOM 92 CB VAL A 6 25.826 6.653 0.960 1.00 0.00 C ATOM 93 CG1 VAL A 6 26.901 7.572 1.522 1.00 0.00 C ATOM 94 CG2 VAL A 6 25.583 5.476 1.896 1.00 0.00 C ATOM 0 H VAL A 6 23.439 6.185 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 6 24.236 7.946 1.636 1.00 0.00 H new ATOM 0 HB VAL A 6 26.173 6.259 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.815 7.003 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.099 8.376 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.559 7.997 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.518 4.938 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.208 5.842 2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.849 4.804 1.452 1.00 0.00 H new ATOM 104 N LYS A 7 24.303 9.707 -0.130 1.00 0.00 N ATOM 105 CA LYS A 7 24.465 10.805 -1.082 1.00 0.00 C ATOM 106 C LYS A 7 25.762 11.566 -0.812 1.00 0.00 C ATOM 107 O LYS A 7 26.030 11.964 0.323 1.00 0.00 O ATOM 108 CB LYS A 7 23.273 11.763 -0.992 1.00 0.00 C ATOM 109 CG LYS A 7 23.304 12.884 -2.018 1.00 0.00 C ATOM 110 CD LYS A 7 22.938 14.224 -1.396 1.00 0.00 C ATOM 111 CE LYS A 7 21.481 14.584 -1.651 1.00 0.00 C ATOM 112 NZ LYS A 7 21.192 14.760 -3.104 1.00 0.00 N ATOM 0 H LYS A 7 23.819 9.967 0.729 1.00 0.00 H new ATOM 0 HA LYS A 7 24.510 10.383 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 22.352 11.194 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 7 23.244 12.199 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 7 24.299 12.947 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 7 22.610 12.656 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.122 14.189 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.582 15.003 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.839 13.802 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.237 15.504 -1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.392 15.414 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.031 15.149 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.951 13.840 -3.524 1.00 0.00 H new ATOM 212 N GLU A 13 22.077 12.149 -8.102 1.00 0.00 N ATOM 213 CA GLU A 13 21.381 12.182 -6.818 1.00 0.00 C ATOM 214 C GLU A 13 20.711 10.838 -6.523 1.00 0.00 C ATOM 215 O GLU A 13 20.938 9.856 -7.235 1.00 0.00 O ATOM 216 CB GLU A 13 20.338 13.307 -6.816 1.00 0.00 C ATOM 217 CG GLU A 13 20.796 14.557 -6.080 1.00 0.00 C ATOM 218 CD GLU A 13 21.032 15.736 -7.005 1.00 0.00 C ATOM 219 OE1 GLU A 13 20.073 16.163 -7.683 1.00 0.00 O ATOM 220 OE2 GLU A 13 22.176 16.236 -7.047 1.00 0.00 O ATOM 0 HA GLU A 13 22.114 12.374 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 13 20.096 13.569 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.420 12.940 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.047 14.830 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.716 14.337 -5.539 1.00 0.00 H new ATOM 227 N TYR A 14 19.885 10.800 -5.472 1.00 0.00 N ATOM 228 CA TYR A 14 19.180 9.572 -5.091 1.00 0.00 C ATOM 229 C TYR A 14 18.449 8.971 -6.290 1.00 0.00 C ATOM 230 O TYR A 14 18.440 7.753 -6.474 1.00 0.00 O ATOM 231 CB TYR A 14 18.179 9.846 -3.966 1.00 0.00 C ATOM 232 CG TYR A 14 18.817 10.257 -2.659 1.00 0.00 C ATOM 233 CD1 TYR A 14 19.612 9.372 -1.940 1.00 0.00 C ATOM 234 CD2 TYR A 14 18.619 11.529 -2.139 1.00 0.00 C ATOM 235 CE1 TYR A 14 20.196 9.746 -0.743 1.00 0.00 C ATOM 236 CE2 TYR A 14 19.196 11.910 -0.943 1.00 0.00 C ATOM 237 CZ TYR A 14 19.982 11.015 -0.248 1.00 0.00 C ATOM 238 OH TYR A 14 20.556 11.393 0.944 1.00 0.00 O ATOM 0 H TYR A 14 19.689 11.602 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 14 19.925 8.860 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 14 17.494 10.631 -4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.581 8.950 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 14 19.777 8.375 -2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 14 18.003 12.233 -2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 14 20.816 9.048 -0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.032 12.904 -0.554 1.00 0.00 H new ATOM 0 HH TYR A 14 21.480 11.068 0.980 1.00 0.00 H new ATOM 248 N GLY A 15 17.843 9.841 -7.105 1.00 0.00 N ATOM 249 CA GLY A 15 17.124 9.394 -8.285 1.00 0.00 C ATOM 250 C GLY A 15 16.021 8.397 -7.976 1.00 0.00 C ATOM 251 O GLY A 15 15.909 7.367 -8.642 1.00 0.00 O ATOM 0 H GLY A 15 17.840 10.851 -6.964 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.692 10.259 -8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.829 8.940 -8.981 1.00 0.00 H new ATOM 255 N LEU A 16 15.205 8.700 -6.967 1.00 0.00 N ATOM 256 CA LEU A 16 14.106 7.816 -6.585 1.00 0.00 C ATOM 257 C LEU A 16 12.769 8.553 -6.638 1.00 0.00 C ATOM 258 O LEU A 16 12.581 9.572 -5.971 1.00 0.00 O ATOM 259 CB LEU A 16 14.344 7.230 -5.185 1.00 0.00 C ATOM 260 CG LEU A 16 14.355 8.243 -4.035 1.00 0.00 C ATOM 261 CD1 LEU A 16 13.001 8.283 -3.341 1.00 0.00 C ATOM 262 CD2 LEU A 16 15.454 7.905 -3.037 1.00 0.00 C ATOM 0 H LEU A 16 15.284 9.546 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 16 14.069 6.995 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.570 6.489 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.298 6.702 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 16 14.557 9.230 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.030 9.008 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.233 8.573 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.769 7.297 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.447 8.635 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.282 6.909 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.421 7.929 -3.539 1.00 0.00 H new ATOM 274 N ARG A 17 11.843 8.029 -7.440 1.00 0.00 N ATOM 275 CA ARG A 17 10.520 8.629 -7.588 1.00 0.00 C ATOM 276 C ARG A 17 9.628 8.255 -6.409 1.00 0.00 C ATOM 277 O ARG A 17 9.266 7.093 -6.238 1.00 0.00 O ATOM 278 CB ARG A 17 9.871 8.177 -8.899 1.00 0.00 C ATOM 279 CG ARG A 17 9.991 9.198 -10.019 1.00 0.00 C ATOM 280 CD ARG A 17 8.731 10.039 -10.141 1.00 0.00 C ATOM 281 NE ARG A 17 8.762 11.211 -9.263 1.00 0.00 N ATOM 282 CZ ARG A 17 7.679 11.903 -8.899 1.00 0.00 C ATOM 283 NH1 ARG A 17 6.473 11.553 -9.340 1.00 0.00 N ATOM 284 NH2 ARG A 17 7.801 12.953 -8.095 1.00 0.00 N ATOM 0 H ARG A 17 11.987 7.188 -7.998 1.00 0.00 H new ATOM 0 HA ARG A 17 10.637 9.712 -7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.331 7.242 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.816 7.968 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.846 9.847 -9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.181 8.685 -10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.612 10.364 -11.174 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.863 9.427 -9.897 1.00 0.00 H new ATOM 0 HE ARG A 17 9.667 11.518 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.370 10.750 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.652 12.087 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.722 13.231 -7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.974 13.481 -7.817 1.00 0.00 H new ATOM 298 N LEU A 18 9.288 9.246 -5.590 1.00 0.00 N ATOM 299 CA LEU A 18 8.450 9.015 -4.418 1.00 0.00 C ATOM 300 C LEU A 18 6.981 9.327 -4.708 1.00 0.00 C ATOM 301 O LEU A 18 6.663 10.309 -5.380 1.00 0.00 O ATOM 302 CB LEU A 18 8.947 9.863 -3.244 1.00 0.00 C ATOM 303 CG LEU A 18 8.908 9.179 -1.874 1.00 0.00 C ATOM 304 CD1 LEU A 18 7.470 9.000 -1.407 1.00 0.00 C ATOM 305 CD2 LEU A 18 9.633 7.839 -1.919 1.00 0.00 C ATOM 0 H LEU A 18 9.579 10.215 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 18 8.521 7.959 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.973 10.170 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.346 10.771 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 18 9.423 9.818 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.462 8.512 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.989 9.975 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.928 8.384 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.593 7.371 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.152 7.189 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.673 7.998 -2.203 1.00 0.00 H new ATOM 317 N ALA A 19 6.093 8.481 -4.185 1.00 0.00 N ATOM 318 CA ALA A 19 4.654 8.648 -4.369 1.00 0.00 C ATOM 319 C ALA A 19 3.889 8.255 -3.104 1.00 0.00 C ATOM 320 O ALA A 19 4.443 7.609 -2.214 1.00 0.00 O ATOM 321 CB ALA A 19 4.180 7.826 -5.557 1.00 0.00 C ATOM 0 H ALA A 19 6.350 7.667 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 19 4.454 9.701 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.106 7.958 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.696 8.157 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.398 6.773 -5.381 1.00 0.00 H new ATOM 327 N SER A 20 2.615 8.647 -3.026 1.00 0.00 N ATOM 328 CA SER A 20 1.791 8.324 -1.861 1.00 0.00 C ATOM 329 C SER A 20 0.485 7.642 -2.271 1.00 0.00 C ATOM 330 O SER A 20 -0.020 7.851 -3.376 1.00 0.00 O ATOM 331 CB SER A 20 1.493 9.587 -1.042 1.00 0.00 C ATOM 332 OG SER A 20 0.539 10.413 -1.688 1.00 0.00 O ATOM 0 H SER A 20 2.136 9.184 -3.749 1.00 0.00 H new ATOM 0 HA SER A 20 2.356 7.627 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.123 9.304 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.415 10.147 -0.887 1.00 0.00 H new ATOM 0 HG SER A 20 0.370 11.208 -1.140 1.00 0.00 H new ATOM 338 N HIS A 21 -0.054 6.824 -1.366 1.00 0.00 N ATOM 339 CA HIS A 21 -1.301 6.104 -1.618 1.00 0.00 C ATOM 340 C HIS A 21 -2.360 6.468 -0.574 1.00 0.00 C ATOM 341 O HIS A 21 -2.088 7.216 0.366 1.00 0.00 O ATOM 342 CB HIS A 21 -1.050 4.594 -1.599 1.00 0.00 C ATOM 343 CG HIS A 21 -1.281 3.936 -2.922 1.00 0.00 C ATOM 344 ND1 HIS A 21 -0.633 4.071 -4.100 1.00 0.00 N flip ATOM 345 CD2 HIS A 21 -2.278 3.013 -3.139 1.00 0.00 C flip ATOM 346 CE1 HIS A 21 -1.242 3.234 -5.002 1.00 0.00 C flip ATOM 347 NE2 HIS A 21 -2.232 2.606 -4.395 1.00 0.00 N flip ATOM 0 H HIS A 21 0.356 6.644 -0.449 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.670 6.395 -2.602 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.023 4.408 -1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.700 4.135 -0.855 1.00 0.00 H new ATOM 0 HD1 HIS A 21 0.162 4.682 -4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.987 2.674 -2.398 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.958 3.110 -6.037 1.00 0.00 H new ATOM 356 N ILE A 22 -3.571 5.933 -0.747 1.00 0.00 N ATOM 357 CA ILE A 22 -4.671 6.204 0.178 1.00 0.00 C ATOM 358 C ILE A 22 -5.381 4.915 0.593 1.00 0.00 C ATOM 359 O ILE A 22 -5.581 4.014 -0.224 1.00 0.00 O ATOM 360 CB ILE A 22 -5.701 7.172 -0.448 1.00 0.00 C ATOM 361 CG1 ILE A 22 -5.008 8.446 -0.943 1.00 0.00 C ATOM 362 CG2 ILE A 22 -6.800 7.516 0.550 1.00 0.00 C ATOM 363 CD1 ILE A 22 -4.458 9.317 0.170 1.00 0.00 C ATOM 0 H ILE A 22 -3.813 5.311 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.234 6.668 1.062 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.161 6.673 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.192 8.168 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.717 9.029 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.512 8.198 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.315 6.604 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.360 7.992 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.983 10.199 -0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.272 9.626 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.724 8.753 0.745 1.00 0.00 H new ATOM 375 N PHE A 23 -5.759 4.836 1.871 1.00 0.00 N ATOM 376 CA PHE A 23 -6.448 3.661 2.399 1.00 0.00 C ATOM 377 C PHE A 23 -7.398 4.041 3.539 1.00 0.00 C ATOM 378 O PHE A 23 -7.503 5.213 3.908 1.00 0.00 O ATOM 379 CB PHE A 23 -5.431 2.622 2.888 1.00 0.00 C ATOM 380 CG PHE A 23 -4.713 3.028 4.145 1.00 0.00 C ATOM 381 CD1 PHE A 23 -3.775 4.048 4.121 1.00 0.00 C ATOM 382 CD2 PHE A 23 -4.978 2.394 5.348 1.00 0.00 C ATOM 383 CE1 PHE A 23 -3.118 4.429 5.273 1.00 0.00 C ATOM 384 CE2 PHE A 23 -4.321 2.770 6.504 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.390 3.788 6.466 1.00 0.00 C ATOM 0 H PHE A 23 -5.599 5.573 2.558 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.040 3.230 1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.945 1.677 3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.697 2.446 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.556 4.550 3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.706 1.597 5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.392 5.228 5.242 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.536 2.268 7.436 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.875 4.083 7.368 1.00 0.00 H new ATOM 395 N VAL A 24 -8.083 3.041 4.096 1.00 0.00 N ATOM 396 CA VAL A 24 -9.017 3.265 5.196 1.00 0.00 C ATOM 397 C VAL A 24 -8.434 2.769 6.518 1.00 0.00 C ATOM 398 O VAL A 24 -8.239 1.566 6.708 1.00 0.00 O ATOM 399 CB VAL A 24 -10.370 2.561 4.947 1.00 0.00 C ATOM 400 CG1 VAL A 24 -11.390 2.967 6.000 1.00 0.00 C ATOM 401 CG2 VAL A 24 -10.889 2.871 3.550 1.00 0.00 C ATOM 0 H VAL A 24 -8.007 2.067 3.802 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.185 4.341 5.252 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.212 1.485 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.335 2.460 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.024 2.687 6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.543 4.046 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.842 2.366 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.027 3.947 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.169 2.523 2.809 1.00 0.00 H new ATOM 411 N LYS A 25 -8.162 3.701 7.429 1.00 0.00 N ATOM 412 CA LYS A 25 -7.607 3.362 8.740 1.00 0.00 C ATOM 413 C LYS A 25 -8.584 2.504 9.550 1.00 0.00 C ATOM 414 O LYS A 25 -8.170 1.585 10.258 1.00 0.00 O ATOM 415 CB LYS A 25 -7.256 4.636 9.516 1.00 0.00 C ATOM 416 CG LYS A 25 -6.231 4.422 10.623 1.00 0.00 C ATOM 417 CD LYS A 25 -4.808 4.393 10.079 1.00 0.00 C ATOM 418 CE LYS A 25 -3.779 4.441 11.201 1.00 0.00 C ATOM 419 NZ LYS A 25 -2.619 3.541 10.939 1.00 0.00 N ATOM 0 H LYS A 25 -8.317 4.699 7.284 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.698 2.782 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.873 5.381 8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.167 5.047 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.322 5.219 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.442 3.485 11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.662 3.489 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.656 5.239 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.423 5.464 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.254 4.156 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.944 3.606 11.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.954 2.560 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.149 3.828 10.057 1.00 0.00 H new ATOM 433 N GLU A 26 -9.879 2.810 9.438 1.00 0.00 N ATOM 434 CA GLU A 26 -10.919 2.068 10.155 1.00 0.00 C ATOM 435 C GLU A 26 -12.311 2.556 9.753 1.00 0.00 C ATOM 436 O GLU A 26 -12.446 3.543 9.032 1.00 0.00 O ATOM 437 CB GLU A 26 -10.736 2.219 11.670 1.00 0.00 C ATOM 438 CG GLU A 26 -10.627 0.892 12.406 1.00 0.00 C ATOM 439 CD GLU A 26 -10.481 1.073 13.904 1.00 0.00 C ATOM 440 OE1 GLU A 26 -9.340 1.275 14.368 1.00 0.00 O ATOM 441 OE2 GLU A 26 -11.509 1.014 14.614 1.00 0.00 O ATOM 0 H GLU A 26 -10.233 3.569 8.856 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.826 1.016 9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.838 2.806 11.862 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.577 2.781 12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.513 0.291 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.770 0.337 12.024 1.00 0.00 H new ATOM 448 N ILE A 27 -13.343 1.861 10.231 1.00 0.00 N ATOM 449 CA ILE A 27 -14.725 2.230 9.929 1.00 0.00 C ATOM 450 C ILE A 27 -15.600 2.139 11.180 1.00 0.00 C ATOM 451 O ILE A 27 -15.478 1.200 11.965 1.00 0.00 O ATOM 452 CB ILE A 27 -15.332 1.337 8.821 1.00 0.00 C ATOM 453 CG1 ILE A 27 -14.380 1.243 7.623 1.00 0.00 C ATOM 454 CG2 ILE A 27 -16.684 1.883 8.379 1.00 0.00 C ATOM 455 CD1 ILE A 27 -13.528 -0.008 7.621 1.00 0.00 C ATOM 0 H ILE A 27 -13.248 1.040 10.829 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.703 3.260 9.572 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.476 0.336 9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -14.963 1.276 6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.728 2.116 7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -17.097 1.243 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.364 1.903 9.230 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.559 2.894 7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.880 -0.005 6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.917 -0.034 8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -14.172 -0.887 7.593 1.00 0.00 H new ATOM 467 N SER A 28 -16.480 3.125 11.359 1.00 0.00 N ATOM 468 CA SER A 28 -17.372 3.163 12.515 1.00 0.00 C ATOM 469 C SER A 28 -18.624 2.322 12.272 1.00 0.00 C ATOM 470 O SER A 28 -19.087 2.191 11.138 1.00 0.00 O ATOM 471 CB SER A 28 -17.766 4.607 12.835 1.00 0.00 C ATOM 472 OG SER A 28 -16.741 5.264 13.558 1.00 0.00 O ATOM 0 H SER A 28 -16.593 3.909 10.716 1.00 0.00 H new ATOM 0 HA SER A 28 -16.837 2.742 13.366 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.966 5.147 11.909 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.689 4.616 13.415 1.00 0.00 H new ATOM 0 HG SER A 28 -17.015 6.185 13.749 1.00 0.00 H new ATOM 478 N GLN A 29 -19.165 1.756 13.351 1.00 0.00 N ATOM 479 CA GLN A 29 -20.365 0.927 13.264 1.00 0.00 C ATOM 480 C GLN A 29 -21.618 1.787 13.112 1.00 0.00 C ATOM 481 O GLN A 29 -21.615 2.972 13.451 1.00 0.00 O ATOM 482 CB GLN A 29 -20.489 0.033 14.500 1.00 0.00 C ATOM 483 CG GLN A 29 -19.616 -1.212 14.442 1.00 0.00 C ATOM 484 CD GLN A 29 -20.288 -2.370 13.725 1.00 0.00 C ATOM 485 OE1 GLN A 29 -21.289 -2.191 13.027 1.00 0.00 O ATOM 486 NE2 GLN A 29 -19.742 -3.569 13.893 1.00 0.00 N ATOM 0 H GLN A 29 -18.791 1.857 14.294 1.00 0.00 H new ATOM 0 HA GLN A 29 -20.273 0.297 12.379 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -20.223 0.612 15.385 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -21.530 -0.269 14.617 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.681 -0.971 13.936 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.360 -1.518 15.456 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -18.914 -3.675 14.479 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.151 -4.384 13.436 1.00 0.00 H new ATOM 495 N ASP A 30 -22.688 1.176 12.597 1.00 0.00 N ATOM 496 CA ASP A 30 -23.958 1.875 12.387 1.00 0.00 C ATOM 497 C ASP A 30 -23.780 3.089 11.471 1.00 0.00 C ATOM 498 O ASP A 30 -24.493 4.086 11.600 1.00 0.00 O ATOM 499 CB ASP A 30 -24.559 2.311 13.729 1.00 0.00 C ATOM 500 CG ASP A 30 -25.454 1.246 14.334 1.00 0.00 C ATOM 501 OD1 ASP A 30 -24.926 0.190 14.743 1.00 0.00 O ATOM 502 OD2 ASP A 30 -26.681 1.468 14.398 1.00 0.00 O ATOM 0 H ASP A 30 -22.700 0.195 12.317 1.00 0.00 H new ATOM 0 HA ASP A 30 -24.643 1.180 11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -23.754 2.544 14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -25.133 3.227 13.587 1.00 0.00 H new ATOM 507 N SER A 31 -22.829 2.997 10.541 1.00 0.00 N ATOM 508 CA SER A 31 -22.563 4.083 9.605 1.00 0.00 C ATOM 509 C SER A 31 -22.903 3.665 8.177 1.00 0.00 C ATOM 510 O SER A 31 -23.305 2.525 7.932 1.00 0.00 O ATOM 511 CB SER A 31 -21.095 4.514 9.695 1.00 0.00 C ATOM 512 OG SER A 31 -20.983 5.916 9.871 1.00 0.00 O ATOM 0 H SER A 31 -22.231 2.180 10.418 1.00 0.00 H new ATOM 0 HA SER A 31 -23.196 4.928 9.874 1.00 0.00 H new ATOM 0 HB2 SER A 31 -20.613 4.001 10.527 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.569 4.215 8.788 1.00 0.00 H new ATOM 0 HG SER A 31 -20.821 6.115 10.817 1.00 0.00 H new ATOM 518 N LEU A 32 -22.736 4.593 7.236 1.00 0.00 N ATOM 519 CA LEU A 32 -23.022 4.321 5.828 1.00 0.00 C ATOM 520 C LEU A 32 -22.182 3.149 5.315 1.00 0.00 C ATOM 521 O LEU A 32 -22.653 2.348 4.508 1.00 0.00 O ATOM 522 CB LEU A 32 -22.765 5.569 4.980 1.00 0.00 C ATOM 523 CG LEU A 32 -23.613 6.787 5.355 1.00 0.00 C ATOM 524 CD1 LEU A 32 -23.150 8.018 4.592 1.00 0.00 C ATOM 525 CD2 LEU A 32 -25.084 6.513 5.085 1.00 0.00 C ATOM 0 H LEU A 32 -22.404 5.539 7.423 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.074 4.049 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.712 5.837 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -22.949 5.324 3.934 1.00 0.00 H new ATOM 0 HG LEU A 32 -23.487 6.979 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -23.765 8.873 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -22.108 8.226 4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -23.244 7.839 3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -25.673 7.389 5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -25.225 6.295 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -25.410 5.658 5.678 1.00 0.00 H new ATOM 537 N ALA A 33 -20.941 3.050 5.801 1.00 0.00 N ATOM 538 CA ALA A 33 -20.042 1.967 5.403 1.00 0.00 C ATOM 539 C ALA A 33 -20.518 0.622 5.952 1.00 0.00 C ATOM 540 O ALA A 33 -20.424 -0.400 5.273 1.00 0.00 O ATOM 541 CB ALA A 33 -18.624 2.256 5.876 1.00 0.00 C ATOM 0 H ALA A 33 -20.538 3.707 6.470 1.00 0.00 H new ATOM 0 HA ALA A 33 -20.048 1.909 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.966 1.442 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -18.275 3.189 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -18.614 2.345 6.962 1.00 0.00 H new ATOM 547 N ALA A 34 -21.029 0.631 7.185 1.00 0.00 N ATOM 548 CA ALA A 34 -21.520 -0.591 7.824 1.00 0.00 C ATOM 549 C ALA A 34 -22.735 -1.149 7.086 1.00 0.00 C ATOM 550 O ALA A 34 -22.786 -2.340 6.775 1.00 0.00 O ATOM 551 CB ALA A 34 -21.861 -0.327 9.284 1.00 0.00 C ATOM 0 H ALA A 34 -21.113 1.469 7.760 1.00 0.00 H new ATOM 0 HA ALA A 34 -20.726 -1.337 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -22.225 -1.246 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -20.969 0.014 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.634 0.440 9.344 1.00 0.00 H new ATOM 557 N ARG A 35 -23.708 -0.282 6.802 1.00 0.00 N ATOM 558 CA ARG A 35 -24.920 -0.692 6.093 1.00 0.00 C ATOM 559 C ARG A 35 -24.590 -1.165 4.678 1.00 0.00 C ATOM 560 O ARG A 35 -25.144 -2.157 4.202 1.00 0.00 O ATOM 561 CB ARG A 35 -25.926 0.463 6.037 1.00 0.00 C ATOM 562 CG ARG A 35 -27.086 0.310 7.008 1.00 0.00 C ATOM 563 CD ARG A 35 -27.418 1.626 7.697 1.00 0.00 C ATOM 564 NE ARG A 35 -28.656 1.542 8.474 1.00 0.00 N ATOM 565 CZ ARG A 35 -29.881 1.606 7.942 1.00 0.00 C ATOM 566 NH1 ARG A 35 -30.043 1.759 6.630 1.00 0.00 N ATOM 567 NH2 ARG A 35 -30.950 1.521 8.731 1.00 0.00 N ATOM 0 H ARG A 35 -23.680 0.707 7.052 1.00 0.00 H new ATOM 0 HA ARG A 35 -25.365 -1.523 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -25.406 1.397 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -26.320 0.542 5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -27.964 -0.053 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -26.837 -0.441 7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -26.596 1.908 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -27.512 2.413 6.949 1.00 0.00 H new ATOM 0 HE ARG A 35 -28.579 1.427 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -29.228 1.829 6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -30.982 1.807 6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -30.833 1.407 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -31.886 1.569 8.329 1.00 0.00 H new ATOM 581 N ASP A 36 -23.677 -0.454 4.016 1.00 0.00 N ATOM 582 CA ASP A 36 -23.263 -0.803 2.659 1.00 0.00 C ATOM 583 C ASP A 36 -22.469 -2.109 2.643 1.00 0.00 C ATOM 584 O ASP A 36 -22.657 -2.948 1.761 1.00 0.00 O ATOM 585 CB ASP A 36 -22.413 0.320 2.059 1.00 0.00 C ATOM 586 CG ASP A 36 -22.517 0.389 0.547 1.00 0.00 C ATOM 587 OD1 ASP A 36 -23.654 0.409 0.028 1.00 0.00 O ATOM 588 OD2 ASP A 36 -21.461 0.424 -0.118 1.00 0.00 O ATOM 0 H ASP A 36 -23.210 0.368 4.399 1.00 0.00 H new ATOM 0 HA ASP A 36 -24.164 -0.937 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.726 1.274 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.371 0.171 2.341 1.00 0.00 H new ATOM 593 N GLY A 37 -21.582 -2.270 3.625 1.00 0.00 N ATOM 594 CA GLY A 37 -20.766 -3.470 3.711 1.00 0.00 C ATOM 595 C GLY A 37 -19.788 -3.607 2.554 1.00 0.00 C ATOM 596 O GLY A 37 -19.545 -4.716 2.075 1.00 0.00 O ATOM 0 H GLY A 37 -21.415 -1.588 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.211 -3.459 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.417 -4.344 3.735 1.00 0.00 H new ATOM 600 N ASN A 38 -19.224 -2.484 2.102 1.00 0.00 N ATOM 601 CA ASN A 38 -18.268 -2.500 0.990 1.00 0.00 C ATOM 602 C ASN A 38 -16.898 -1.936 1.389 1.00 0.00 C ATOM 603 O ASN A 38 -16.013 -1.801 0.543 1.00 0.00 O ATOM 604 CB ASN A 38 -18.830 -1.715 -0.199 1.00 0.00 C ATOM 605 CG ASN A 38 -19.803 -2.537 -1.019 1.00 0.00 C ATOM 606 OD1 ASN A 38 -19.419 -3.187 -1.990 1.00 0.00 O ATOM 607 ND2 ASN A 38 -21.073 -2.512 -0.631 1.00 0.00 N ATOM 0 H ASN A 38 -19.411 -1.557 2.485 1.00 0.00 H new ATOM 0 HA ASN A 38 -18.121 -3.542 0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.331 -0.818 0.164 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -18.009 -1.386 -0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.774 -3.046 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.347 -1.959 0.181 1.00 0.00 H new ATOM 614 N ILE A 39 -16.719 -1.609 2.673 1.00 0.00 N ATOM 615 CA ILE A 39 -15.451 -1.068 3.153 1.00 0.00 C ATOM 616 C ILE A 39 -14.942 -1.853 4.360 1.00 0.00 C ATOM 617 O ILE A 39 -15.688 -2.097 5.310 1.00 0.00 O ATOM 618 CB ILE A 39 -15.571 0.426 3.531 1.00 0.00 C ATOM 619 CG1 ILE A 39 -16.214 1.223 2.390 1.00 0.00 C ATOM 620 CG2 ILE A 39 -14.202 0.997 3.876 1.00 0.00 C ATOM 621 CD1 ILE A 39 -17.299 2.174 2.849 1.00 0.00 C ATOM 0 H ILE A 39 -17.435 -1.710 3.393 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.739 -1.163 2.333 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.212 0.509 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.440 1.791 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -16.636 0.527 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -14.303 2.050 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.782 0.450 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.540 0.901 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -17.707 2.703 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.093 1.611 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.879 2.894 3.551 1.00 0.00 H new ATOM 633 N GLN A 40 -13.670 -2.242 4.312 1.00 0.00 N ATOM 634 CA GLN A 40 -13.053 -3.000 5.397 1.00 0.00 C ATOM 635 C GLN A 40 -11.816 -2.281 5.929 1.00 0.00 C ATOM 636 O GLN A 40 -11.222 -1.457 5.231 1.00 0.00 O ATOM 637 CB GLN A 40 -12.672 -4.403 4.915 1.00 0.00 C ATOM 638 CG GLN A 40 -13.859 -5.347 4.793 1.00 0.00 C ATOM 639 CD GLN A 40 -14.650 -5.136 3.515 1.00 0.00 C ATOM 640 OE1 GLN A 40 -14.166 -4.528 2.560 1.00 0.00 O ATOM 641 NE2 GLN A 40 -15.878 -5.639 3.489 1.00 0.00 N ATOM 0 H GLN A 40 -13.045 -2.044 3.531 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.779 -3.084 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.180 -4.324 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.947 -4.832 5.607 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.503 -6.377 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.518 -5.207 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.243 -6.137 4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.457 -5.528 2.657 1.00 0.00 H new ATOM 650 N GLU A 41 -11.436 -2.596 7.167 1.00 0.00 N ATOM 651 CA GLU A 41 -10.266 -1.973 7.790 1.00 0.00 C ATOM 652 C GLU A 41 -8.997 -2.308 7.013 1.00 0.00 C ATOM 653 O GLU A 41 -8.624 -3.477 6.891 1.00 0.00 O ATOM 654 CB GLU A 41 -10.105 -2.429 9.246 1.00 0.00 C ATOM 655 CG GLU A 41 -11.382 -2.356 10.070 1.00 0.00 C ATOM 656 CD GLU A 41 -11.985 -3.725 10.324 1.00 0.00 C ATOM 657 OE1 GLU A 41 -12.638 -4.266 9.407 1.00 0.00 O ATOM 658 OE2 GLU A 41 -11.800 -4.258 11.439 1.00 0.00 O ATOM 0 H GLU A 41 -11.918 -3.275 7.757 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.424 -0.895 7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.739 -3.456 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.342 -1.815 9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.169 -1.873 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.110 -1.732 9.552 1.00 0.00 H new ATOM 665 N GLY A 42 -8.339 -1.278 6.487 1.00 0.00 N ATOM 666 CA GLY A 42 -7.118 -1.481 5.725 1.00 0.00 C ATOM 667 C GLY A 42 -7.332 -1.421 4.217 1.00 0.00 C ATOM 668 O GLY A 42 -6.374 -1.552 3.452 1.00 0.00 O ATOM 0 H GLY A 42 -8.630 -0.304 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.389 -0.724 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.692 -2.449 5.986 1.00 0.00 H new ATOM 672 N ASP A 43 -8.582 -1.220 3.785 1.00 0.00 N ATOM 673 CA ASP A 43 -8.900 -1.140 2.360 1.00 0.00 C ATOM 674 C ASP A 43 -8.130 0.001 1.692 1.00 0.00 C ATOM 675 O ASP A 43 -8.071 1.110 2.221 1.00 0.00 O ATOM 676 CB ASP A 43 -10.409 -0.948 2.155 1.00 0.00 C ATOM 677 CG ASP A 43 -11.093 -2.169 1.563 1.00 0.00 C ATOM 678 OD1 ASP A 43 -10.420 -2.957 0.860 1.00 0.00 O ATOM 679 OD2 ASP A 43 -12.309 -2.337 1.800 1.00 0.00 O ATOM 0 H ASP A 43 -9.386 -1.110 4.402 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.598 -2.079 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.872 -0.709 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.574 -0.093 1.499 1.00 0.00 H new ATOM 684 N VAL A 44 -7.541 -0.284 0.531 1.00 0.00 N ATOM 685 CA VAL A 44 -6.771 0.715 -0.208 1.00 0.00 C ATOM 686 C VAL A 44 -7.620 1.363 -1.301 1.00 0.00 C ATOM 687 O VAL A 44 -8.035 0.697 -2.251 1.00 0.00 O ATOM 688 CB VAL A 44 -5.506 0.097 -0.844 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.646 1.172 -1.490 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.702 -0.681 0.191 1.00 0.00 C ATOM 0 H VAL A 44 -7.583 -1.199 0.082 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.467 1.477 0.510 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.826 -0.598 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.761 0.714 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.219 1.678 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.341 1.897 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.816 -1.107 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.398 -0.010 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.316 -1.483 0.600 1.00 0.00 H new ATOM 700 N VAL A 45 -7.873 2.664 -1.160 1.00 0.00 N ATOM 701 CA VAL A 45 -8.674 3.404 -2.132 1.00 0.00 C ATOM 702 C VAL A 45 -7.799 4.004 -3.232 1.00 0.00 C ATOM 703 O VAL A 45 -6.814 4.691 -2.952 1.00 0.00 O ATOM 704 CB VAL A 45 -9.477 4.540 -1.461 1.00 0.00 C ATOM 705 CG1 VAL A 45 -10.461 5.152 -2.447 1.00 0.00 C ATOM 706 CG2 VAL A 45 -10.203 4.033 -0.222 1.00 0.00 C ATOM 0 H VAL A 45 -7.534 3.227 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.368 2.687 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.776 5.314 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.018 5.951 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.917 5.559 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.154 4.385 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.761 4.851 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.892 3.237 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.476 3.648 0.493 1.00 0.00 H new ATOM 716 N LEU A 46 -8.172 3.743 -4.483 1.00 0.00 N ATOM 717 CA LEU A 46 -7.430 4.257 -5.632 1.00 0.00 C ATOM 718 C LEU A 46 -8.151 5.453 -6.261 1.00 0.00 C ATOM 719 O LEU A 46 -7.519 6.452 -6.609 1.00 0.00 O ATOM 720 CB LEU A 46 -7.236 3.151 -6.674 1.00 0.00 C ATOM 721 CG LEU A 46 -5.832 2.545 -6.723 1.00 0.00 C ATOM 722 CD1 LEU A 46 -5.421 2.023 -5.352 1.00 0.00 C ATOM 723 CD2 LEU A 46 -5.764 1.433 -7.762 1.00 0.00 C ATOM 0 H LEU A 46 -8.985 3.178 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.454 4.593 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.952 2.354 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.476 3.554 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.133 3.329 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.420 1.597 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.425 2.843 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.124 1.255 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.758 1.015 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.477 0.650 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.008 1.837 -8.744 1.00 0.00 H new ATOM 735 N LYS A 47 -9.476 5.343 -6.409 1.00 0.00 N ATOM 736 CA LYS A 47 -10.276 6.419 -7.002 1.00 0.00 C ATOM 737 C LYS A 47 -11.520 6.721 -6.165 1.00 0.00 C ATOM 738 O LYS A 47 -12.047 5.843 -5.479 1.00 0.00 O ATOM 739 CB LYS A 47 -10.693 6.045 -8.429 1.00 0.00 C ATOM 740 CG LYS A 47 -9.603 6.281 -9.464 1.00 0.00 C ATOM 741 CD LYS A 47 -9.173 4.984 -10.134 1.00 0.00 C ATOM 742 CE LYS A 47 -8.923 5.179 -11.623 1.00 0.00 C ATOM 743 NZ LYS A 47 -10.191 5.379 -12.383 1.00 0.00 N ATOM 0 H LYS A 47 -10.014 4.524 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.656 7.315 -7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.981 4.994 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.575 6.623 -8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.964 6.979 -10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.741 6.747 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.266 4.611 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.943 4.226 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.272 6.041 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.397 4.310 -12.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.006 5.271 -13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.892 4.672 -12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.560 6.333 -12.197 1.00 0.00 H new ATOM 757 N ILE A 48 -11.992 7.969 -6.239 1.00 0.00 N ATOM 758 CA ILE A 48 -13.181 8.391 -5.500 1.00 0.00 C ATOM 759 C ILE A 48 -14.064 9.296 -6.362 1.00 0.00 C ATOM 760 O ILE A 48 -13.596 10.304 -6.894 1.00 0.00 O ATOM 761 CB ILE A 48 -12.815 9.126 -4.191 1.00 0.00 C ATOM 762 CG1 ILE A 48 -11.754 8.337 -3.413 1.00 0.00 C ATOM 763 CG2 ILE A 48 -14.054 9.335 -3.330 1.00 0.00 C ATOM 764 CD1 ILE A 48 -11.266 9.036 -2.163 1.00 0.00 C ATOM 0 H ILE A 48 -11.567 8.704 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.731 7.486 -5.242 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.404 10.102 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.166 7.366 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.903 8.148 -4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.776 9.854 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.782 9.933 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.492 8.368 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.518 8.416 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.823 9.995 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.105 9.201 -1.487 1.00 0.00 H new ATOM 776 N ASN A 49 -15.338 8.913 -6.495 1.00 0.00 N ATOM 777 CA ASN A 49 -16.319 9.660 -7.296 1.00 0.00 C ATOM 778 C ASN A 49 -15.738 10.102 -8.647 1.00 0.00 C ATOM 779 O ASN A 49 -16.030 11.198 -9.132 1.00 0.00 O ATOM 780 CB ASN A 49 -16.863 10.872 -6.515 1.00 0.00 C ATOM 781 CG ASN A 49 -15.782 11.850 -6.080 1.00 0.00 C ATOM 782 OD1 ASN A 49 -15.535 11.922 -4.776 1.00 0.00 O flip ATOM 783 ND2 ASN A 49 -15.180 12.539 -6.904 1.00 0.00 N flip ATOM 0 H ASN A 49 -15.720 8.078 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 49 -17.148 8.982 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -17.589 11.398 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -17.396 10.516 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.399 12.454 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.463 13.194 -6.594 1.00 0.00 H new ATOM 790 N GLY A 50 -14.913 9.241 -9.253 1.00 0.00 N ATOM 791 CA GLY A 50 -14.310 9.563 -10.535 1.00 0.00 C ATOM 792 C GLY A 50 -13.109 10.487 -10.405 1.00 0.00 C ATOM 793 O GLY A 50 -12.906 11.369 -11.239 1.00 0.00 O ATOM 0 H GLY A 50 -14.655 8.329 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.002 8.641 -11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.057 10.033 -11.175 1.00 0.00 H new ATOM 797 N THR A 51 -12.312 10.287 -9.353 1.00 0.00 N ATOM 798 CA THR A 51 -11.128 11.110 -9.116 1.00 0.00 C ATOM 799 C THR A 51 -10.013 10.279 -8.490 1.00 0.00 C ATOM 800 O THR A 51 -10.217 9.629 -7.462 1.00 0.00 O ATOM 801 CB THR A 51 -11.472 12.298 -8.207 1.00 0.00 C ATOM 802 OG1 THR A 51 -12.692 12.903 -8.606 1.00 0.00 O ATOM 803 CG2 THR A 51 -10.411 13.379 -8.200 1.00 0.00 C ATOM 0 H THR A 51 -12.467 9.562 -8.653 1.00 0.00 H new ATOM 0 HA THR A 51 -10.782 11.492 -10.076 1.00 0.00 H new ATOM 0 HB THR A 51 -11.547 11.876 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.893 13.657 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.720 14.187 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.468 12.961 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.281 13.768 -9.210 1.00 0.00 H new ATOM 811 N VAL A 52 -8.835 10.304 -9.114 1.00 0.00 N ATOM 812 CA VAL A 52 -7.686 9.552 -8.612 1.00 0.00 C ATOM 813 C VAL A 52 -7.283 10.050 -7.229 1.00 0.00 C ATOM 814 O VAL A 52 -7.374 11.245 -6.940 1.00 0.00 O ATOM 815 CB VAL A 52 -6.469 9.647 -9.562 1.00 0.00 C ATOM 816 CG1 VAL A 52 -5.359 8.712 -9.100 1.00 0.00 C ATOM 817 CG2 VAL A 52 -6.875 9.328 -10.995 1.00 0.00 C ATOM 0 H VAL A 52 -8.652 10.835 -9.965 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.993 8.508 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.094 10.670 -9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.510 8.791 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.045 8.989 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.726 7.686 -9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.003 9.401 -11.645 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.279 8.317 -11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.634 10.038 -11.325 1.00 0.00 H new ATOM 827 N THR A 53 -6.843 9.130 -6.374 1.00 0.00 N ATOM 828 CA THR A 53 -6.430 9.474 -5.019 1.00 0.00 C ATOM 829 C THR A 53 -5.012 8.979 -4.740 1.00 0.00 C ATOM 830 O THR A 53 -4.767 8.273 -3.762 1.00 0.00 O ATOM 831 CB THR A 53 -7.416 8.897 -3.991 1.00 0.00 C ATOM 832 OG1 THR A 53 -8.684 8.643 -4.579 1.00 0.00 O ATOM 833 CG2 THR A 53 -7.637 9.814 -2.807 1.00 0.00 C ATOM 0 H THR A 53 -6.764 8.138 -6.598 1.00 0.00 H new ATOM 0 HA THR A 53 -6.434 10.560 -4.928 1.00 0.00 H new ATOM 0 HB THR A 53 -6.958 7.971 -3.644 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.889 7.687 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.342 9.352 -2.116 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.689 9.985 -2.297 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.039 10.766 -3.154 1.00 0.00 H new ATOM 841 N GLU A 54 -4.081 9.366 -5.608 1.00 0.00 N ATOM 842 CA GLU A 54 -2.682 8.980 -5.458 1.00 0.00 C ATOM 843 C GLU A 54 -1.789 10.218 -5.466 1.00 0.00 C ATOM 844 O GLU A 54 -2.003 11.142 -6.252 1.00 0.00 O ATOM 845 CB GLU A 54 -2.264 8.018 -6.569 1.00 0.00 C ATOM 846 CG GLU A 54 -1.697 6.704 -6.058 1.00 0.00 C ATOM 847 CD GLU A 54 -2.283 5.497 -6.764 1.00 0.00 C ATOM 848 OE1 GLU A 54 -3.456 5.161 -6.496 1.00 0.00 O ATOM 849 OE2 GLU A 54 -1.567 4.885 -7.584 1.00 0.00 O ATOM 0 H GLU A 54 -4.271 9.948 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.567 8.469 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.127 7.810 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.519 8.505 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.615 6.705 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.889 6.622 -4.988 1.00 0.00 H new ATOM 856 N ASN A 55 -0.793 10.228 -4.577 1.00 0.00 N ATOM 857 CA ASN A 55 0.143 11.351 -4.455 1.00 0.00 C ATOM 858 C ASN A 55 -0.528 12.596 -3.854 1.00 0.00 C ATOM 859 O ASN A 55 0.096 13.656 -3.769 1.00 0.00 O ATOM 860 CB ASN A 55 0.770 11.705 -5.810 1.00 0.00 C ATOM 861 CG ASN A 55 1.066 10.487 -6.668 1.00 0.00 C ATOM 862 OD1 ASN A 55 1.661 9.515 -6.202 1.00 0.00 O ATOM 863 ND2 ASN A 55 0.651 10.536 -7.929 1.00 0.00 N ATOM 0 H ASN A 55 -0.612 9.464 -3.925 1.00 0.00 H new ATOM 0 HA ASN A 55 0.930 11.025 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.097 12.369 -6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.695 12.257 -5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.822 9.748 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.161 11.362 -8.273 1.00 0.00 H new ATOM 870 N MET A 56 -1.793 12.473 -3.437 1.00 0.00 N ATOM 871 CA MET A 56 -2.514 13.598 -2.848 1.00 0.00 C ATOM 872 C MET A 56 -2.353 13.617 -1.329 1.00 0.00 C ATOM 873 O MET A 56 -2.022 12.599 -0.717 1.00 0.00 O ATOM 874 CB MET A 56 -3.999 13.525 -3.214 1.00 0.00 C ATOM 875 CG MET A 56 -4.556 14.824 -3.776 1.00 0.00 C ATOM 876 SD MET A 56 -6.114 14.587 -4.650 1.00 0.00 S ATOM 877 CE MET A 56 -5.637 13.364 -5.868 1.00 0.00 C ATOM 0 H MET A 56 -2.333 11.610 -3.497 1.00 0.00 H new ATOM 0 HA MET A 56 -2.091 14.518 -3.250 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.145 12.731 -3.946 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.569 13.249 -2.327 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.704 15.534 -2.962 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.826 15.265 -4.455 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.333 13.395 -6.706 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.630 13.579 -6.225 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.658 12.373 -5.415 1.00 0.00 H new ATOM 887 N SER A 57 -2.596 14.780 -0.725 1.00 0.00 N ATOM 888 CA SER A 57 -2.485 14.929 0.724 1.00 0.00 C ATOM 889 C SER A 57 -3.679 14.290 1.427 1.00 0.00 C ATOM 890 O SER A 57 -4.788 14.269 0.888 1.00 0.00 O ATOM 891 CB SER A 57 -2.381 16.410 1.106 1.00 0.00 C ATOM 892 OG SER A 57 -3.520 17.135 0.672 1.00 0.00 O ATOM 0 H SER A 57 -2.870 15.631 -1.216 1.00 0.00 H new ATOM 0 HA SER A 57 -1.578 14.418 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.279 16.503 2.187 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.483 16.840 0.663 1.00 0.00 H new ATOM 0 HG SER A 57 -3.427 18.076 0.930 1.00 0.00 H new ATOM 898 N LEU A 58 -3.451 13.776 2.636 1.00 0.00 N ATOM 899 CA LEU A 58 -4.515 13.145 3.416 1.00 0.00 C ATOM 900 C LEU A 58 -5.682 14.110 3.618 1.00 0.00 C ATOM 901 O LEU A 58 -6.836 13.691 3.707 1.00 0.00 O ATOM 902 CB LEU A 58 -3.981 12.680 4.774 1.00 0.00 C ATOM 903 CG LEU A 58 -4.998 11.949 5.660 1.00 0.00 C ATOM 904 CD1 LEU A 58 -5.649 10.798 4.904 1.00 0.00 C ATOM 905 CD2 LEU A 58 -4.328 11.445 6.931 1.00 0.00 C ATOM 0 H LEU A 58 -2.540 13.784 3.095 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.872 12.277 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.130 12.020 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.608 13.549 5.317 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.780 12.656 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.366 10.295 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.165 11.185 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.883 10.088 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.062 10.929 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.525 10.756 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.917 12.289 7.485 1.00 0.00 H new ATOM 917 N THR A 59 -5.369 15.406 3.686 1.00 0.00 N ATOM 918 CA THR A 59 -6.388 16.433 3.872 1.00 0.00 C ATOM 919 C THR A 59 -7.318 16.499 2.662 1.00 0.00 C ATOM 920 O THR A 59 -8.532 16.641 2.816 1.00 0.00 O ATOM 921 CB THR A 59 -5.740 17.802 4.102 1.00 0.00 C ATOM 922 OG1 THR A 59 -4.388 17.665 4.506 1.00 0.00 O ATOM 923 CG2 THR A 59 -6.449 18.629 5.154 1.00 0.00 C ATOM 0 H THR A 59 -4.417 15.766 3.615 1.00 0.00 H new ATOM 0 HA THR A 59 -6.974 16.167 4.752 1.00 0.00 H new ATOM 0 HB THR A 59 -5.812 18.315 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.996 18.553 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.940 19.586 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.481 18.801 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.437 18.096 6.105 1.00 0.00 H new ATOM 931 N ASP A 60 -6.742 16.385 1.463 1.00 0.00 N ATOM 932 CA ASP A 60 -7.522 16.424 0.226 1.00 0.00 C ATOM 933 C ASP A 60 -8.585 15.326 0.218 1.00 0.00 C ATOM 934 O ASP A 60 -9.723 15.558 -0.192 1.00 0.00 O ATOM 935 CB ASP A 60 -6.603 16.270 -0.990 1.00 0.00 C ATOM 936 CG ASP A 60 -6.295 17.596 -1.659 1.00 0.00 C ATOM 937 OD1 ASP A 60 -5.459 18.353 -1.122 1.00 0.00 O ATOM 938 OD2 ASP A 60 -6.887 17.875 -2.722 1.00 0.00 O ATOM 0 H ASP A 60 -5.739 16.265 1.324 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.022 17.391 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.671 15.799 -0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.072 15.603 -1.713 1.00 0.00 H new ATOM 943 N ALA A 61 -8.208 14.136 0.689 1.00 0.00 N ATOM 944 CA ALA A 61 -9.134 13.007 0.748 1.00 0.00 C ATOM 945 C ALA A 61 -10.356 13.353 1.597 1.00 0.00 C ATOM 946 O ALA A 61 -11.477 12.958 1.273 1.00 0.00 O ATOM 947 CB ALA A 61 -8.436 11.775 1.305 1.00 0.00 C ATOM 0 H ALA A 61 -7.270 13.931 1.034 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.470 12.789 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.140 10.944 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.596 11.511 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.071 11.987 2.310 1.00 0.00 H new ATOM 953 N LYS A 62 -10.130 14.107 2.673 1.00 0.00 N ATOM 954 CA LYS A 62 -11.206 14.525 3.560 1.00 0.00 C ATOM 955 C LYS A 62 -12.123 15.520 2.847 1.00 0.00 C ATOM 956 O LYS A 62 -13.338 15.510 3.051 1.00 0.00 O ATOM 957 CB LYS A 62 -10.610 15.121 4.851 1.00 0.00 C ATOM 958 CG LYS A 62 -11.172 16.477 5.265 1.00 0.00 C ATOM 959 CD LYS A 62 -11.574 16.482 6.734 1.00 0.00 C ATOM 960 CE LYS A 62 -11.066 17.722 7.453 1.00 0.00 C ATOM 961 NZ LYS A 62 -12.111 18.779 7.545 1.00 0.00 N ATOM 0 H LYS A 62 -9.206 14.440 2.949 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.812 13.661 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.772 14.415 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.532 15.217 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.427 17.252 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.037 16.719 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.660 16.434 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.179 15.591 7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.736 17.450 8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.197 18.116 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.725 19.607 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.409 19.057 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.931 18.412 8.070 1.00 0.00 H new ATOM 975 N THR A 63 -11.533 16.370 2.003 1.00 0.00 N ATOM 976 CA THR A 63 -12.297 17.364 1.252 1.00 0.00 C ATOM 977 C THR A 63 -13.217 16.690 0.235 1.00 0.00 C ATOM 978 O THR A 63 -14.366 17.100 0.065 1.00 0.00 O ATOM 979 CB THR A 63 -11.364 18.340 0.530 1.00 0.00 C ATOM 980 OG1 THR A 63 -10.077 18.362 1.130 1.00 0.00 O ATOM 981 CG2 THR A 63 -11.885 19.762 0.508 1.00 0.00 C ATOM 0 H THR A 63 -10.529 16.388 1.824 1.00 0.00 H new ATOM 0 HA THR A 63 -12.905 17.919 1.967 1.00 0.00 H new ATOM 0 HB THR A 63 -11.309 17.971 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.502 18.992 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.176 20.401 -0.018 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.847 19.789 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.007 20.121 1.530 1.00 0.00 H new ATOM 989 N LEU A 64 -12.709 15.650 -0.434 1.00 0.00 N ATOM 990 CA LEU A 64 -13.494 14.919 -1.425 1.00 0.00 C ATOM 991 C LEU A 64 -14.788 14.391 -0.804 1.00 0.00 C ATOM 992 O LEU A 64 -15.830 14.351 -1.460 1.00 0.00 O ATOM 993 CB LEU A 64 -12.681 13.757 -2.002 1.00 0.00 C ATOM 994 CG LEU A 64 -11.818 14.103 -3.219 1.00 0.00 C ATOM 995 CD1 LEU A 64 -11.087 12.867 -3.724 1.00 0.00 C ATOM 996 CD2 LEU A 64 -12.670 14.712 -4.325 1.00 0.00 C ATOM 0 H LEU A 64 -11.760 15.299 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.747 15.607 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.034 13.364 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.368 12.957 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.075 14.840 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.479 13.132 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.445 12.476 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.813 12.106 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.039 14.951 -5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.437 13.999 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.145 15.622 -3.959 1.00 0.00 H new ATOM 1008 N ILE A 65 -14.713 14.005 0.471 1.00 0.00 N ATOM 1009 CA ILE A 65 -15.877 13.499 1.190 1.00 0.00 C ATOM 1010 C ILE A 65 -16.887 14.622 1.444 1.00 0.00 C ATOM 1011 O ILE A 65 -18.093 14.377 1.511 1.00 0.00 O ATOM 1012 CB ILE A 65 -15.483 12.854 2.539 1.00 0.00 C ATOM 1013 CG1 ILE A 65 -14.365 11.824 2.339 1.00 0.00 C ATOM 1014 CG2 ILE A 65 -16.697 12.200 3.188 1.00 0.00 C ATOM 1015 CD1 ILE A 65 -13.595 11.504 3.603 1.00 0.00 C ATOM 0 H ILE A 65 -13.857 14.034 1.025 1.00 0.00 H new ATOM 0 HA ILE A 65 -16.331 12.734 0.560 1.00 0.00 H new ATOM 0 HB ILE A 65 -15.114 13.638 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -14.797 10.904 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.670 12.197 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -16.404 11.750 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.465 12.953 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -17.091 11.428 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -12.822 10.768 3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -13.132 12.413 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.276 11.100 4.352 1.00 0.00 H new ATOM 1027 N GLU A 66 -16.386 15.853 1.578 1.00 0.00 N ATOM 1028 CA GLU A 66 -17.244 17.013 1.817 1.00 0.00 C ATOM 1029 C GLU A 66 -17.991 17.409 0.545 1.00 0.00 C ATOM 1030 O GLU A 66 -19.214 17.553 0.554 1.00 0.00 O ATOM 1031 CB GLU A 66 -16.415 18.194 2.326 1.00 0.00 C ATOM 1032 CG GLU A 66 -17.075 18.958 3.466 1.00 0.00 C ATOM 1033 CD GLU A 66 -16.734 20.439 3.468 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -15.601 20.791 3.075 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -17.600 21.246 3.865 1.00 0.00 O ATOM 0 H GLU A 66 -15.391 16.070 1.525 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.976 16.740 2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.444 17.828 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.230 18.880 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.156 18.840 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.768 18.519 4.415 1.00 0.00 H new ATOM 1042 N ARG A 67 -17.246 17.578 -0.550 1.00 0.00 N ATOM 1043 CA ARG A 67 -17.840 17.952 -1.835 1.00 0.00 C ATOM 1044 C ARG A 67 -18.809 16.877 -2.335 1.00 0.00 C ATOM 1045 O ARG A 67 -19.721 17.171 -3.110 1.00 0.00 O ATOM 1046 CB ARG A 67 -16.744 18.189 -2.879 1.00 0.00 C ATOM 1047 CG ARG A 67 -17.184 19.076 -4.035 1.00 0.00 C ATOM 1048 CD ARG A 67 -16.546 18.643 -5.346 1.00 0.00 C ATOM 1049 NE ARG A 67 -17.308 19.105 -6.507 1.00 0.00 N ATOM 1050 CZ ARG A 67 -17.251 20.348 -6.996 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -16.475 21.266 -6.421 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -17.972 20.674 -8.065 1.00 0.00 N ATOM 0 H ARG A 67 -16.233 17.462 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.401 18.874 -1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.882 18.644 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.417 17.227 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.269 19.041 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.915 20.111 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.530 19.034 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.471 17.556 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.921 18.436 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.919 21.023 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -16.437 22.212 -6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.568 19.976 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -17.929 21.622 -8.439 1.00 0.00 H new ATOM 1066 N SER A 68 -18.605 15.634 -1.890 1.00 0.00 N ATOM 1067 CA SER A 68 -19.458 14.519 -2.289 1.00 0.00 C ATOM 1068 C SER A 68 -20.918 14.787 -1.929 1.00 0.00 C ATOM 1069 O SER A 68 -21.267 14.897 -0.751 1.00 0.00 O ATOM 1070 CB SER A 68 -18.978 13.227 -1.624 1.00 0.00 C ATOM 1071 OG SER A 68 -18.081 12.530 -2.468 1.00 0.00 O ATOM 0 H SER A 68 -17.853 15.377 -1.251 1.00 0.00 H new ATOM 0 HA SER A 68 -19.392 14.410 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.488 13.460 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.833 12.593 -1.392 1.00 0.00 H new ATOM 0 HG SER A 68 -17.179 12.898 -2.362 1.00 0.00 H new ATOM 1077 N LYS A 69 -21.763 14.902 -2.954 1.00 0.00 N ATOM 1078 CA LYS A 69 -23.187 15.171 -2.756 1.00 0.00 C ATOM 1079 C LYS A 69 -23.980 13.881 -2.541 1.00 0.00 C ATOM 1080 O LYS A 69 -24.218 13.124 -3.483 1.00 0.00 O ATOM 1081 CB LYS A 69 -23.760 15.931 -3.957 1.00 0.00 C ATOM 1082 CG LYS A 69 -23.181 17.326 -4.133 1.00 0.00 C ATOM 1083 CD LYS A 69 -23.656 18.272 -3.040 1.00 0.00 C ATOM 1084 CE LYS A 69 -22.569 18.521 -2.004 1.00 0.00 C ATOM 1085 NZ LYS A 69 -21.408 19.256 -2.578 1.00 0.00 N ATOM 0 H LYS A 69 -21.485 14.813 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 69 -23.281 15.783 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -23.574 15.354 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -24.841 16.008 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -22.092 17.273 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -23.470 17.720 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -23.960 19.220 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -24.536 17.853 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -22.984 19.091 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.230 17.568 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.163 20.056 -1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.593 18.614 -2.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.656 19.612 -3.523 1.00 0.00 H new ATOM 1099 N GLY A 70 -24.399 13.649 -1.295 1.00 0.00 N ATOM 1100 CA GLY A 70 -25.179 12.464 -0.969 1.00 0.00 C ATOM 1101 C GLY A 70 -24.443 11.162 -1.232 1.00 0.00 C ATOM 1102 O GLY A 70 -23.643 10.719 -0.409 1.00 0.00 O ATOM 0 H GLY A 70 -24.210 14.264 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.464 12.505 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -26.101 12.475 -1.550 1.00 0.00 H new ATOM 1106 N LYS A 71 -24.728 10.544 -2.376 1.00 0.00 N ATOM 1107 CA LYS A 71 -24.101 9.275 -2.748 1.00 0.00 C ATOM 1108 C LYS A 71 -22.599 9.450 -2.990 1.00 0.00 C ATOM 1109 O LYS A 71 -22.167 10.447 -3.570 1.00 0.00 O ATOM 1110 CB LYS A 71 -24.773 8.702 -4.002 1.00 0.00 C ATOM 1111 CG LYS A 71 -25.175 7.238 -3.873 1.00 0.00 C ATOM 1112 CD LYS A 71 -26.431 6.931 -4.677 1.00 0.00 C ATOM 1113 CE LYS A 71 -26.144 5.981 -5.832 1.00 0.00 C ATOM 1114 NZ LYS A 71 -26.496 4.571 -5.500 1.00 0.00 N ATOM 0 H LYS A 71 -25.391 10.902 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 71 -24.232 8.578 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -25.660 9.293 -4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -24.093 8.809 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.358 6.604 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -25.346 6.998 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -27.183 6.491 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -26.850 7.859 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.707 6.298 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -25.087 6.038 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -26.284 3.959 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -25.940 4.259 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.510 4.510 -5.275 1.00 0.00 H new ATOM 1128 N LEU A 72 -21.810 8.471 -2.539 1.00 0.00 N ATOM 1129 CA LEU A 72 -20.357 8.512 -2.703 1.00 0.00 C ATOM 1130 C LEU A 72 -19.843 7.237 -3.369 1.00 0.00 C ATOM 1131 O LEU A 72 -20.367 6.147 -3.133 1.00 0.00 O ATOM 1132 CB LEU A 72 -19.671 8.699 -1.345 1.00 0.00 C ATOM 1133 CG LEU A 72 -18.665 9.854 -1.272 1.00 0.00 C ATOM 1134 CD1 LEU A 72 -18.189 10.062 0.157 1.00 0.00 C ATOM 1135 CD2 LEU A 72 -17.481 9.601 -2.192 1.00 0.00 C ATOM 0 H LEU A 72 -22.155 7.641 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.118 9.359 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.439 8.859 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.156 7.774 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 72 -19.170 10.761 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.476 10.886 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -19.042 10.297 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.708 9.152 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.782 10.434 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.979 8.680 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.832 9.507 -3.220 1.00 0.00 H new ATOM 1147 N LYS A 73 -18.810 7.382 -4.196 1.00 0.00 N ATOM 1148 CA LYS A 73 -18.213 6.247 -4.893 1.00 0.00 C ATOM 1149 C LYS A 73 -16.727 6.133 -4.557 1.00 0.00 C ATOM 1150 O LYS A 73 -15.995 7.121 -4.612 1.00 0.00 O ATOM 1151 CB LYS A 73 -18.395 6.397 -6.406 1.00 0.00 C ATOM 1152 CG LYS A 73 -19.836 6.247 -6.866 1.00 0.00 C ATOM 1153 CD LYS A 73 -20.004 6.669 -8.316 1.00 0.00 C ATOM 1154 CE LYS A 73 -21.472 6.785 -8.698 1.00 0.00 C ATOM 1155 NZ LYS A 73 -21.693 7.804 -9.763 1.00 0.00 N ATOM 0 H LYS A 73 -18.368 8.278 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 73 -18.717 5.339 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.025 7.376 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.782 5.652 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.150 5.210 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -20.486 6.851 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.509 7.627 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.514 5.944 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.835 5.816 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -22.056 7.049 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -22.706 7.851 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.371 8.734 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.156 7.539 -10.614 1.00 0.00 H new ATOM 1169 N MET A 74 -16.287 4.924 -4.209 1.00 0.00 N ATOM 1170 CA MET A 74 -14.886 4.684 -3.866 1.00 0.00 C ATOM 1171 C MET A 74 -14.399 3.366 -4.465 1.00 0.00 C ATOM 1172 O MET A 74 -14.992 2.313 -4.234 1.00 0.00 O ATOM 1173 CB MET A 74 -14.695 4.659 -2.344 1.00 0.00 C ATOM 1174 CG MET A 74 -15.405 5.785 -1.607 1.00 0.00 C ATOM 1175 SD MET A 74 -14.591 6.223 -0.058 1.00 0.00 S ATOM 1176 CE MET A 74 -14.358 4.606 0.679 1.00 0.00 C ATOM 0 H MET A 74 -16.880 4.096 -4.157 1.00 0.00 H new ATOM 0 HA MET A 74 -14.298 5.501 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 74 -15.055 3.705 -1.960 1.00 0.00 H new ATOM 0 HB3 MET A 74 -13.629 4.710 -2.122 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.450 6.664 -2.250 1.00 0.00 H new ATOM 0 HG3 MET A 74 -16.433 5.488 -1.401 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.099 4.720 1.732 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.279 4.030 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 74 -13.553 4.083 0.162 1.00 0.00 H new ATOM 1186 N VAL A 75 -13.311 3.431 -5.232 1.00 0.00 N ATOM 1187 CA VAL A 75 -12.741 2.239 -5.858 1.00 0.00 C ATOM 1188 C VAL A 75 -11.540 1.733 -5.062 1.00 0.00 C ATOM 1189 O VAL A 75 -10.522 2.419 -4.960 1.00 0.00 O ATOM 1190 CB VAL A 75 -12.301 2.511 -7.314 1.00 0.00 C ATOM 1191 CG1 VAL A 75 -11.928 1.208 -8.009 1.00 0.00 C ATOM 1192 CG2 VAL A 75 -13.391 3.240 -8.089 1.00 0.00 C ATOM 0 H VAL A 75 -12.808 4.295 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 75 -13.524 1.481 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 75 -11.422 3.155 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.620 1.417 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -11.106 0.732 -7.473 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.790 0.541 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.054 3.418 -9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.295 2.631 -8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.605 4.193 -7.606 1.00 0.00 H new ATOM 1202 N VAL A 76 -11.666 0.532 -4.500 1.00 0.00 N ATOM 1203 CA VAL A 76 -10.590 -0.067 -3.710 1.00 0.00 C ATOM 1204 C VAL A 76 -10.049 -1.338 -4.371 1.00 0.00 C ATOM 1205 O VAL A 76 -10.697 -1.918 -5.245 1.00 0.00 O ATOM 1206 CB VAL A 76 -11.057 -0.407 -2.277 1.00 0.00 C ATOM 1207 CG1 VAL A 76 -11.432 0.858 -1.521 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -12.224 -1.389 -2.303 1.00 0.00 C ATOM 0 H VAL A 76 -12.503 -0.046 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.795 0.677 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.228 -0.884 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.758 0.597 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.566 1.517 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.241 1.368 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -12.534 -1.612 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.059 -0.948 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.914 -2.309 -2.798 1.00 0.00 H new ATOM 1218 N GLN A 77 -8.859 -1.766 -3.943 1.00 0.00 N ATOM 1219 CA GLN A 77 -8.233 -2.971 -4.489 1.00 0.00 C ATOM 1220 C GLN A 77 -7.725 -3.886 -3.373 1.00 0.00 C ATOM 1221 O GLN A 77 -7.271 -3.415 -2.328 1.00 0.00 O ATOM 1222 CB GLN A 77 -7.080 -2.600 -5.432 1.00 0.00 C ATOM 1223 CG GLN A 77 -6.030 -1.696 -4.804 1.00 0.00 C ATOM 1224 CD GLN A 77 -4.702 -2.401 -4.590 1.00 0.00 C ATOM 1225 OE1 GLN A 77 -4.154 -3.011 -5.509 1.00 0.00 O ATOM 1226 NE2 GLN A 77 -4.175 -2.321 -3.373 1.00 0.00 N ATOM 0 H GLN A 77 -8.311 -1.297 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.992 -3.512 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.597 -3.515 -5.776 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.490 -2.105 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.876 -0.826 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.399 -1.327 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.661 -1.806 -2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.284 -2.775 -3.172 1.00 0.00 H new ATOM 1321 N THR B 1 -14.141 -3.994 -8.133 1.00 0.00 N ATOM 1322 CA THR B 1 -14.217 -3.591 -6.700 1.00 0.00 C ATOM 1323 C THR B 1 -14.617 -2.120 -6.560 1.00 0.00 C ATOM 1324 O THR B 1 -13.760 -1.240 -6.452 1.00 0.00 O ATOM 1325 CB THR B 1 -12.856 -3.846 -6.037 1.00 0.00 C ATOM 1326 OG1 THR B 1 -11.805 -3.774 -6.987 1.00 0.00 O ATOM 1327 CG2 THR B 1 -12.765 -5.195 -5.352 1.00 0.00 C ATOM 0 H1 THR B 1 -14.566 -4.936 -8.252 1.00 0.00 H new ATOM 0 H2 THR B 1 -14.658 -3.305 -8.715 1.00 0.00 H new ATOM 0 H3 THR B 1 -13.146 -4.023 -8.433 1.00 0.00 H new ATOM 0 HA THR B 1 -14.984 -4.186 -6.203 1.00 0.00 H new ATOM 0 HB THR B 1 -12.757 -3.065 -5.283 1.00 0.00 H new ATOM 0 HG1 THR B 1 -11.139 -3.120 -6.689 1.00 0.00 H new ATOM 0 HG21 THR B 1 -11.778 -5.310 -4.905 1.00 0.00 H new ATOM 0 HG22 THR B 1 -13.526 -5.260 -4.574 1.00 0.00 H new ATOM 0 HG23 THR B 1 -12.926 -5.986 -6.084 1.00 0.00 H new ATOM 1337 N LYS B 2 -15.926 -1.864 -6.567 1.00 0.00 N ATOM 1338 CA LYS B 2 -16.448 -0.506 -6.445 1.00 0.00 C ATOM 1339 C LYS B 2 -17.331 -0.368 -5.204 1.00 0.00 C ATOM 1340 O LYS B 2 -18.180 -1.221 -4.937 1.00 0.00 O ATOM 1341 CB LYS B 2 -17.247 -0.135 -7.700 1.00 0.00 C ATOM 1342 CG LYS B 2 -16.575 0.922 -8.564 1.00 0.00 C ATOM 1343 CD LYS B 2 -16.353 0.424 -9.985 1.00 0.00 C ATOM 1344 CE LYS B 2 -14.906 0.010 -10.216 1.00 0.00 C ATOM 1345 NZ LYS B 2 -14.255 0.829 -11.276 1.00 0.00 N ATOM 0 H LYS B 2 -16.644 -2.583 -6.656 1.00 0.00 H new ATOM 0 HA LYS B 2 -15.604 0.175 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -17.405 -1.033 -8.297 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -18.231 0.226 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -17.191 1.821 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -15.619 1.201 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -17.010 -0.424 -10.181 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -16.625 1.208 -10.692 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -14.347 0.110 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -14.870 -1.042 -10.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -13.272 0.515 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -14.773 0.714 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -14.266 1.831 -10.996 1.00 0.00 H new ATOM 1359 N VAL B 3 -17.120 0.712 -4.453 1.00 0.00 N ATOM 1360 CA VAL B 3 -17.886 0.976 -3.238 1.00 0.00 C ATOM 1361 C VAL B 3 -18.824 2.166 -3.441 1.00 0.00 C ATOM 1362 O VAL B 3 -18.373 3.276 -3.723 1.00 0.00 O ATOM 1363 CB VAL B 3 -16.951 1.264 -2.039 1.00 0.00 C ATOM 1364 CG1 VAL B 3 -17.737 1.308 -0.737 1.00 0.00 C ATOM 1365 CG2 VAL B 3 -15.839 0.224 -1.961 1.00 0.00 C ATOM 0 H VAL B 3 -16.420 1.422 -4.668 1.00 0.00 H new ATOM 0 HA VAL B 3 -18.473 0.083 -3.022 1.00 0.00 H new ATOM 0 HB VAL B 3 -16.495 2.242 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -17.058 1.512 0.091 1.00 0.00 H new ATOM 0 HG12 VAL B 3 -18.489 2.095 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL B 3 -18.228 0.348 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -15.193 0.445 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -16.276 -0.767 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -15.252 0.249 -2.879 1.00 0.00 H new ATOM 1375 N THR B 4 -20.129 1.927 -3.306 1.00 0.00 N ATOM 1376 CA THR B 4 -21.123 2.985 -3.489 1.00 0.00 C ATOM 1377 C THR B 4 -21.916 3.236 -2.204 1.00 0.00 C ATOM 1378 O THR B 4 -22.754 2.423 -1.812 1.00 0.00 O ATOM 1379 CB THR B 4 -22.078 2.632 -4.638 1.00 0.00 C ATOM 1380 OG1 THR B 4 -21.475 1.727 -5.550 1.00 0.00 O ATOM 1381 CG2 THR B 4 -22.528 3.841 -5.430 1.00 0.00 C ATOM 0 H THR B 4 -20.521 1.015 -3.072 1.00 0.00 H new ATOM 0 HA THR B 4 -20.588 3.901 -3.740 1.00 0.00 H new ATOM 0 HB THR B 4 -22.945 2.180 -4.156 1.00 0.00 H new ATOM 0 HG1 THR B 4 -22.106 1.519 -6.270 1.00 0.00 H new ATOM 0 HG21 THR B 4 -23.201 3.524 -6.227 1.00 0.00 H new ATOM 0 HG22 THR B 4 -23.049 4.535 -4.770 1.00 0.00 H new ATOM 0 HG23 THR B 4 -21.659 4.336 -5.864 1.00 0.00 H new ATOM 1389 N LEU B 5 -21.646 4.372 -1.560 1.00 0.00 N ATOM 1390 CA LEU B 5 -22.328 4.748 -0.322 1.00 0.00 C ATOM 1391 C LEU B 5 -23.449 5.752 -0.599 1.00 0.00 C ATOM 1392 O LEU B 5 -23.450 6.417 -1.634 1.00 0.00 O ATOM 1393 CB LEU B 5 -21.332 5.356 0.675 1.00 0.00 C ATOM 1394 CG LEU B 5 -20.302 4.384 1.260 1.00 0.00 C ATOM 1395 CD1 LEU B 5 -20.993 3.208 1.937 1.00 0.00 C ATOM 1396 CD2 LEU B 5 -19.348 3.895 0.179 1.00 0.00 C ATOM 0 H LEU B 5 -20.955 5.051 -1.878 1.00 0.00 H new ATOM 0 HA LEU B 5 -22.762 3.845 0.107 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -20.799 6.167 0.179 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -21.894 5.800 1.497 1.00 0.00 H new ATOM 0 HG LEU B 5 -19.721 4.918 2.012 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -20.243 2.531 2.345 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -21.628 3.574 2.744 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -21.604 2.676 1.208 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -18.625 3.206 0.616 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -19.913 3.382 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -18.822 4.746 -0.254 1.00 0.00 H new ATOM 1408 N VAL B 6 -24.392 5.861 0.338 1.00 0.00 N ATOM 1409 CA VAL B 6 -25.512 6.790 0.198 1.00 0.00 C ATOM 1410 C VAL B 6 -25.680 7.638 1.459 1.00 0.00 C ATOM 1411 O VAL B 6 -26.239 7.179 2.455 1.00 0.00 O ATOM 1412 CB VAL B 6 -26.838 6.050 -0.094 1.00 0.00 C ATOM 1413 CG1 VAL B 6 -27.936 7.042 -0.450 1.00 0.00 C ATOM 1414 CG2 VAL B 6 -26.657 5.027 -1.207 1.00 0.00 C ATOM 0 H VAL B 6 -24.402 5.317 1.201 1.00 0.00 H new ATOM 0 HA VAL B 6 -25.279 7.437 -0.648 1.00 0.00 H new ATOM 0 HB VAL B 6 -27.135 5.517 0.809 1.00 0.00 H new ATOM 0 HG11 VAL B 6 -28.862 6.503 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL B 6 -28.090 7.728 0.383 1.00 0.00 H new ATOM 0 HG13 VAL B 6 -27.644 7.606 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL B 6 -27.604 4.520 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL B 6 -26.331 5.532 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL B 6 -25.906 4.295 -0.910 1.00 0.00 H new ATOM 1424 N LYS B 7 -25.191 8.877 1.410 1.00 0.00 N ATOM 1425 CA LYS B 7 -25.287 9.788 2.550 1.00 0.00 C ATOM 1426 C LYS B 7 -26.648 10.480 2.592 1.00 0.00 C ATOM 1427 O LYS B 7 -27.110 11.026 1.587 1.00 0.00 O ATOM 1428 CB LYS B 7 -24.171 10.837 2.495 1.00 0.00 C ATOM 1429 CG LYS B 7 -23.935 11.552 3.817 1.00 0.00 C ATOM 1430 CD LYS B 7 -23.642 13.030 3.609 1.00 0.00 C ATOM 1431 CE LYS B 7 -22.151 13.318 3.688 1.00 0.00 C ATOM 1432 NZ LYS B 7 -21.852 14.769 3.519 1.00 0.00 N ATOM 0 H LYS B 7 -24.725 9.273 0.594 1.00 0.00 H new ATOM 0 HA LYS B 7 -25.175 9.195 3.458 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -23.245 10.353 2.184 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -24.417 11.576 1.732 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -24.813 11.440 4.454 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -23.101 11.085 4.340 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -24.024 13.345 2.638 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -24.167 13.616 4.363 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -21.767 12.978 4.650 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -21.631 12.749 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -20.825 14.921 3.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -22.195 15.088 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -22.327 15.311 4.269 1.00 0.00 H new ATOM 1532 N GLU B 13 -22.821 11.076 8.723 1.00 0.00 N ATOM 1533 CA GLU B 13 -21.620 10.910 7.913 1.00 0.00 C ATOM 1534 C GLU B 13 -21.358 9.433 7.606 1.00 0.00 C ATOM 1535 O GLU B 13 -22.012 8.546 8.157 1.00 0.00 O ATOM 1536 CB GLU B 13 -20.410 11.528 8.620 1.00 0.00 C ATOM 1537 CG GLU B 13 -20.277 11.140 10.083 1.00 0.00 C ATOM 1538 CD GLU B 13 -18.869 11.334 10.608 1.00 0.00 C ATOM 1539 OE1 GLU B 13 -18.520 12.477 10.970 1.00 0.00 O ATOM 1540 OE2 GLU B 13 -18.111 10.342 10.651 1.00 0.00 O ATOM 0 HA GLU B 13 -21.779 11.428 6.967 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -19.504 11.229 8.093 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -20.477 12.614 8.548 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.969 11.736 10.678 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -20.567 10.097 10.207 1.00 0.00 H new ATOM 1547 N TYR B 14 -20.398 9.182 6.718 1.00 0.00 N ATOM 1548 CA TYR B 14 -20.042 7.816 6.323 1.00 0.00 C ATOM 1549 C TYR B 14 -19.316 7.069 7.448 1.00 0.00 C ATOM 1550 O TYR B 14 -19.272 5.836 7.448 1.00 0.00 O ATOM 1551 CB TYR B 14 -19.166 7.831 5.065 1.00 0.00 C ATOM 1552 CG TYR B 14 -19.737 8.657 3.929 1.00 0.00 C ATOM 1553 CD1 TYR B 14 -19.433 10.008 3.804 1.00 0.00 C ATOM 1554 CD2 TYR B 14 -20.577 8.086 2.980 1.00 0.00 C ATOM 1555 CE1 TYR B 14 -19.956 10.765 2.772 1.00 0.00 C ATOM 1556 CE2 TYR B 14 -21.102 8.838 1.945 1.00 0.00 C ATOM 1557 CZ TYR B 14 -20.786 10.177 1.845 1.00 0.00 C ATOM 1558 OH TYR B 14 -21.307 10.933 0.821 1.00 0.00 O ATOM 0 H TYR B 14 -19.850 9.908 6.256 1.00 0.00 H new ATOM 0 HA TYR B 14 -20.972 7.289 6.111 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -18.181 8.220 5.324 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -19.024 6.807 4.721 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -18.777 10.474 4.525 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -20.824 7.037 3.052 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -19.714 11.815 2.694 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -21.756 8.379 1.218 1.00 0.00 H new ATOM 0 HH TYR B 14 -22.064 10.459 0.417 1.00 0.00 H new ATOM 1568 N GLY B 15 -18.749 7.818 8.401 1.00 0.00 N ATOM 1569 CA GLY B 15 -18.035 7.208 9.513 1.00 0.00 C ATOM 1570 C GLY B 15 -16.884 6.323 9.063 1.00 0.00 C ATOM 1571 O GLY B 15 -16.687 5.235 9.606 1.00 0.00 O ATOM 0 H GLY B 15 -18.774 8.838 8.419 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -17.650 7.992 10.165 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -18.733 6.615 10.105 1.00 0.00 H new ATOM 1575 N LEU B 16 -16.124 6.788 8.073 1.00 0.00 N ATOM 1576 CA LEU B 16 -14.989 6.025 7.559 1.00 0.00 C ATOM 1577 C LEU B 16 -13.675 6.762 7.808 1.00 0.00 C ATOM 1578 O LEU B 16 -13.496 7.899 7.370 1.00 0.00 O ATOM 1579 CB LEU B 16 -15.163 5.730 6.061 1.00 0.00 C ATOM 1580 CG LEU B 16 -15.453 6.944 5.171 1.00 0.00 C ATOM 1581 CD1 LEU B 16 -14.165 7.499 4.578 1.00 0.00 C ATOM 1582 CD2 LEU B 16 -16.430 6.571 4.065 1.00 0.00 C ATOM 0 H LEU B 16 -16.273 7.686 7.613 1.00 0.00 H new ATOM 0 HA LEU B 16 -14.954 5.077 8.096 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -14.257 5.245 5.698 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -15.977 5.014 5.943 1.00 0.00 H new ATOM 0 HG LEU B 16 -15.906 7.719 5.788 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -14.395 8.360 3.950 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -13.496 7.805 5.383 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -13.681 6.730 3.976 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -16.625 7.444 3.442 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -16.001 5.777 3.453 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -17.364 6.224 4.507 1.00 0.00 H new ATOM 1594 N ARG B 17 -12.758 6.099 8.513 1.00 0.00 N ATOM 1595 CA ARG B 17 -11.455 6.680 8.820 1.00 0.00 C ATOM 1596 C ARG B 17 -10.525 6.575 7.615 1.00 0.00 C ATOM 1597 O ARG B 17 -10.114 5.482 7.231 1.00 0.00 O ATOM 1598 CB ARG B 17 -10.831 5.982 10.034 1.00 0.00 C ATOM 1599 CG ARG B 17 -10.515 6.926 11.183 1.00 0.00 C ATOM 1600 CD ARG B 17 -9.541 6.303 12.173 1.00 0.00 C ATOM 1601 NE ARG B 17 -8.511 7.251 12.602 1.00 0.00 N ATOM 1602 CZ ARG B 17 -7.766 7.104 13.703 1.00 0.00 C ATOM 1603 NH1 ARG B 17 -7.922 6.042 14.488 1.00 0.00 N ATOM 1604 NH2 ARG B 17 -6.861 8.024 14.017 1.00 0.00 N ATOM 0 H ARG B 17 -12.896 5.158 8.882 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.596 7.734 9.058 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.512 5.208 10.388 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -9.914 5.482 9.723 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -10.092 7.850 10.789 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.437 7.193 11.699 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.089 5.945 13.044 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.066 5.434 11.716 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.351 8.076 12.024 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.614 5.331 14.252 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.349 5.938 15.326 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -6.735 8.841 13.419 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.292 7.914 14.856 1.00 0.00 H new ATOM 1618 N LEU B 18 -10.208 7.719 7.016 1.00 0.00 N ATOM 1619 CA LEU B 18 -9.338 7.758 5.847 1.00 0.00 C ATOM 1620 C LEU B 18 -7.882 8.009 6.243 1.00 0.00 C ATOM 1621 O LEU B 18 -7.596 8.853 7.096 1.00 0.00 O ATOM 1622 CB LEU B 18 -9.821 8.845 4.876 1.00 0.00 C ATOM 1623 CG LEU B 18 -9.577 8.564 3.391 1.00 0.00 C ATOM 1624 CD1 LEU B 18 -8.091 8.618 3.075 1.00 0.00 C ATOM 1625 CD2 LEU B 18 -10.166 7.217 2.992 1.00 0.00 C ATOM 0 H LEU B 18 -10.542 8.633 7.322 1.00 0.00 H new ATOM 0 HA LEU B 18 -9.385 6.787 5.355 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -10.890 8.993 5.028 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -9.329 9.783 5.135 1.00 0.00 H new ATOM 0 HG LEU B 18 -10.079 9.337 2.809 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -7.937 8.416 2.015 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -7.704 9.608 3.316 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -7.566 7.869 3.667 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -9.981 7.038 1.933 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -9.699 6.427 3.580 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -11.240 7.220 3.177 1.00 0.00 H new ATOM 1637 N ALA B 19 -6.968 7.270 5.613 1.00 0.00 N ATOM 1638 CA ALA B 19 -5.537 7.400 5.886 1.00 0.00 C ATOM 1639 C ALA B 19 -4.726 7.373 4.587 1.00 0.00 C ATOM 1640 O ALA B 19 -5.283 7.177 3.504 1.00 0.00 O ATOM 1641 CB ALA B 19 -5.081 6.292 6.822 1.00 0.00 C ATOM 0 H ALA B 19 -7.196 6.571 4.906 1.00 0.00 H new ATOM 0 HA ALA B 19 -5.365 8.362 6.369 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -4.014 6.398 7.019 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -5.631 6.359 7.760 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -5.270 5.324 6.359 1.00 0.00 H new ATOM 1647 N SER B 20 -3.409 7.576 4.694 1.00 0.00 N ATOM 1648 CA SER B 20 -2.542 7.579 3.514 1.00 0.00 C ATOM 1649 C SER B 20 -1.201 6.896 3.788 1.00 0.00 C ATOM 1650 O SER B 20 -0.707 6.897 4.918 1.00 0.00 O ATOM 1651 CB SER B 20 -2.305 9.012 3.025 1.00 0.00 C ATOM 1652 OG SER B 20 -2.018 9.886 4.104 1.00 0.00 O ATOM 0 H SER B 20 -2.925 7.739 5.577 1.00 0.00 H new ATOM 0 HA SER B 20 -3.054 7.011 2.737 1.00 0.00 H new ATOM 0 HB2 SER B 20 -1.478 9.024 2.315 1.00 0.00 H new ATOM 0 HB3 SER B 20 -3.187 9.367 2.492 1.00 0.00 H new ATOM 0 HG SER B 20 -1.567 10.687 3.765 1.00 0.00 H new ATOM 1658 N HIS B 21 -0.622 6.317 2.735 1.00 0.00 N ATOM 1659 CA HIS B 21 0.662 5.626 2.831 1.00 0.00 C ATOM 1660 C HIS B 21 1.687 6.245 1.875 1.00 0.00 C ATOM 1661 O HIS B 21 1.380 7.197 1.155 1.00 0.00 O ATOM 1662 CB HIS B 21 0.480 4.139 2.505 1.00 0.00 C ATOM 1663 CG HIS B 21 0.658 3.241 3.685 1.00 0.00 C ATOM 1664 ND1 HIS B 21 -0.031 3.162 4.844 1.00 0.00 N flip ATOM 1665 CD2 HIS B 21 1.644 2.280 3.760 1.00 0.00 C flip ATOM 1666 CE1 HIS B 21 0.544 2.166 5.595 1.00 0.00 C flip ATOM 1667 NE2 HIS B 21 1.553 1.650 4.916 1.00 0.00 N flip ATOM 0 H HIS B 21 -1.027 6.314 1.799 1.00 0.00 H new ATOM 0 HA HIS B 21 1.033 5.731 3.850 1.00 0.00 H new ATOM 0 HB2 HIS B 21 -0.516 3.986 2.090 1.00 0.00 H new ATOM 0 HB3 HIS B 21 1.194 3.855 1.732 1.00 0.00 H new ATOM 0 HD1 HIS B 21 -0.831 3.736 5.112 1.00 0.00 H new ATOM 0 HD2 HIS B 21 2.376 2.075 2.993 1.00 0.00 H new ATOM 0 HE1 HIS B 21 0.224 1.856 6.579 1.00 0.00 H new ATOM 1676 N ILE B 22 2.904 5.694 1.867 1.00 0.00 N ATOM 1677 CA ILE B 22 3.968 6.192 0.995 1.00 0.00 C ATOM 1678 C ILE B 22 4.691 5.042 0.288 1.00 0.00 C ATOM 1679 O ILE B 22 4.938 3.994 0.886 1.00 0.00 O ATOM 1680 CB ILE B 22 4.997 7.031 1.786 1.00 0.00 C ATOM 1681 CG1 ILE B 22 4.301 8.175 2.532 1.00 0.00 C ATOM 1682 CG2 ILE B 22 6.071 7.582 0.858 1.00 0.00 C ATOM 1683 CD1 ILE B 22 3.680 9.213 1.620 1.00 0.00 C ATOM 0 H ILE B 22 3.175 4.905 2.454 1.00 0.00 H new ATOM 0 HA ILE B 22 3.493 6.827 0.247 1.00 0.00 H new ATOM 0 HB ILE B 22 5.475 6.379 2.518 1.00 0.00 H new ATOM 0 HG12 ILE B 22 3.525 7.758 3.174 1.00 0.00 H new ATOM 0 HG13 ILE B 22 5.025 8.664 3.184 1.00 0.00 H new ATOM 0 HG21 ILE B 22 6.785 8.169 1.436 1.00 0.00 H new ATOM 0 HG22 ILE B 22 6.590 6.756 0.372 1.00 0.00 H new ATOM 0 HG23 ILE B 22 5.608 8.216 0.101 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.207 9.989 2.221 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.454 9.659 0.996 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.931 8.739 0.986 1.00 0.00 H new ATOM 1695 N PHE B 23 5.024 5.247 -0.988 1.00 0.00 N ATOM 1696 CA PHE B 23 5.717 4.229 -1.778 1.00 0.00 C ATOM 1697 C PHE B 23 6.627 4.865 -2.834 1.00 0.00 C ATOM 1698 O PHE B 23 6.732 6.090 -2.920 1.00 0.00 O ATOM 1699 CB PHE B 23 4.696 3.304 -2.454 1.00 0.00 C ATOM 1700 CG PHE B 23 3.940 3.964 -3.576 1.00 0.00 C ATOM 1701 CD1 PHE B 23 3.042 4.985 -3.313 1.00 0.00 C ATOM 1702 CD2 PHE B 23 4.129 3.565 -4.890 1.00 0.00 C ATOM 1703 CE1 PHE B 23 2.356 5.604 -4.337 1.00 0.00 C ATOM 1704 CE2 PHE B 23 3.443 4.179 -5.920 1.00 0.00 C ATOM 1705 CZ PHE B 23 2.550 5.198 -5.641 1.00 0.00 C ATOM 0 H PHE B 23 4.825 6.109 -1.496 1.00 0.00 H new ATOM 0 HA PHE B 23 6.342 3.646 -1.102 1.00 0.00 H new ATOM 0 HB2 PHE B 23 5.213 2.426 -2.842 1.00 0.00 H new ATOM 0 HB3 PHE B 23 3.986 2.951 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE B 23 2.877 5.300 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE B 23 4.820 2.765 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE B 23 1.667 6.406 -4.118 1.00 0.00 H new ATOM 0 HE2 PHE B 23 3.603 3.864 -6.941 1.00 0.00 H new ATOM 0 HZ PHE B 23 2.006 5.675 -6.443 1.00 0.00 H new ATOM 1715 N VAL B 24 7.279 4.023 -3.638 1.00 0.00 N ATOM 1716 CA VAL B 24 8.176 4.498 -4.690 1.00 0.00 C ATOM 1717 C VAL B 24 7.571 4.262 -6.075 1.00 0.00 C ATOM 1718 O VAL B 24 7.294 3.123 -6.457 1.00 0.00 O ATOM 1719 CB VAL B 24 9.556 3.805 -4.616 1.00 0.00 C ATOM 1720 CG1 VAL B 24 10.559 4.503 -5.523 1.00 0.00 C ATOM 1721 CG2 VAL B 24 10.066 3.770 -3.182 1.00 0.00 C ATOM 0 H VAL B 24 7.202 3.008 -3.579 1.00 0.00 H new ATOM 0 HA VAL B 24 8.310 5.568 -4.531 1.00 0.00 H new ATOM 0 HB VAL B 24 9.438 2.778 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL B 24 11.523 3.999 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.203 4.469 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.670 5.542 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL B 24 11.038 3.278 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL B 24 10.163 4.788 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL B 24 9.362 3.219 -2.559 1.00 0.00 H new ATOM 1731 N LYS B 25 7.370 5.348 -6.821 1.00 0.00 N ATOM 1732 CA LYS B 25 6.797 5.272 -8.166 1.00 0.00 C ATOM 1733 C LYS B 25 7.752 4.590 -9.149 1.00 0.00 C ATOM 1734 O LYS B 25 7.335 3.736 -9.934 1.00 0.00 O ATOM 1735 CB LYS B 25 6.443 6.674 -8.675 1.00 0.00 C ATOM 1736 CG LYS B 25 5.229 6.709 -9.591 1.00 0.00 C ATOM 1737 CD LYS B 25 3.940 6.442 -8.828 1.00 0.00 C ATOM 1738 CE LYS B 25 2.712 6.768 -9.665 1.00 0.00 C ATOM 1739 NZ LYS B 25 2.538 8.237 -9.855 1.00 0.00 N ATOM 0 H LYS B 25 7.596 6.295 -6.516 1.00 0.00 H new ATOM 0 HA LYS B 25 5.891 4.670 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS B 25 6.260 7.325 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.301 7.083 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.169 7.682 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.346 5.965 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS B 25 3.907 5.395 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS B 25 3.927 7.038 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS B 25 2.798 6.284 -10.638 1.00 0.00 H new ATOM 0 HE3 LYS B 25 1.825 6.357 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 1.588 8.428 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 2.650 8.721 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 3.254 8.588 -10.523 1.00 0.00 H new ATOM 1753 N GLU B 26 9.030 4.975 -9.109 1.00 0.00 N ATOM 1754 CA GLU B 26 10.037 4.401 -10.006 1.00 0.00 C ATOM 1755 C GLU B 26 11.453 4.736 -9.535 1.00 0.00 C ATOM 1756 O GLU B 26 11.640 5.519 -8.600 1.00 0.00 O ATOM 1757 CB GLU B 26 9.830 4.917 -11.435 1.00 0.00 C ATOM 1758 CG GLU B 26 10.059 3.864 -12.510 1.00 0.00 C ATOM 1759 CD GLU B 26 10.873 4.388 -13.679 1.00 0.00 C ATOM 1760 OE1 GLU B 26 10.283 5.032 -14.571 1.00 0.00 O ATOM 1761 OE2 GLU B 26 12.100 4.156 -13.699 1.00 0.00 O ATOM 0 H GLU B 26 9.392 5.680 -8.467 1.00 0.00 H new ATOM 0 HA GLU B 26 9.918 3.318 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.815 5.302 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU B 26 10.506 5.754 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.571 3.008 -12.071 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.096 3.507 -12.874 1.00 0.00 H new ATOM 1768 N ILE B 27 12.450 4.139 -10.190 1.00 0.00 N ATOM 1769 CA ILE B 27 13.853 4.373 -9.844 1.00 0.00 C ATOM 1770 C ILE B 27 14.650 4.823 -11.068 1.00 0.00 C ATOM 1771 O ILE B 27 14.590 4.190 -12.124 1.00 0.00 O ATOM 1772 CB ILE B 27 14.522 3.109 -9.251 1.00 0.00 C ATOM 1773 CG1 ILE B 27 13.499 2.234 -8.513 1.00 0.00 C ATOM 1774 CG2 ILE B 27 15.662 3.497 -8.317 1.00 0.00 C ATOM 1775 CD1 ILE B 27 12.887 2.895 -7.297 1.00 0.00 C ATOM 0 H ILE B 27 12.312 3.489 -10.964 1.00 0.00 H new ATOM 0 HA ILE B 27 13.859 5.160 -9.089 1.00 0.00 H new ATOM 0 HB ILE B 27 14.929 2.526 -10.077 1.00 0.00 H new ATOM 0 HG12 ILE B 27 12.702 1.962 -9.205 1.00 0.00 H new ATOM 0 HG13 ILE B 27 13.984 1.308 -8.205 1.00 0.00 H new ATOM 0 HG21 ILE B 27 16.121 2.596 -7.909 1.00 0.00 H new ATOM 0 HG22 ILE B 27 16.409 4.066 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE B 27 15.273 4.107 -7.502 1.00 0.00 H new ATOM 0 HD11 ILE B 27 12.175 2.213 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE B 27 13.673 3.142 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE B 27 12.371 3.807 -7.599 1.00 0.00 H new ATOM 1787 N SER B 28 15.400 5.917 -10.921 1.00 0.00 N ATOM 1788 CA SER B 28 16.211 6.444 -12.017 1.00 0.00 C ATOM 1789 C SER B 28 17.498 5.636 -12.170 1.00 0.00 C ATOM 1790 O SER B 28 18.054 5.143 -11.186 1.00 0.00 O ATOM 1791 CB SER B 28 16.533 7.926 -11.787 1.00 0.00 C ATOM 1792 OG SER B 28 17.689 8.090 -10.982 1.00 0.00 O ATOM 0 H SER B 28 15.462 6.453 -10.055 1.00 0.00 H new ATOM 0 HA SER B 28 15.637 6.356 -12.939 1.00 0.00 H new ATOM 0 HB2 SER B 28 16.684 8.419 -12.747 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.684 8.414 -11.309 1.00 0.00 H new ATOM 0 HG SER B 28 18.016 9.010 -11.063 1.00 0.00 H new ATOM 1798 N GLN B 29 17.962 5.502 -13.409 1.00 0.00 N ATOM 1799 CA GLN B 29 19.181 4.750 -13.694 1.00 0.00 C ATOM 1800 C GLN B 29 20.423 5.539 -13.287 1.00 0.00 C ATOM 1801 O GLN B 29 20.424 6.772 -13.319 1.00 0.00 O ATOM 1802 CB GLN B 29 19.255 4.387 -15.181 1.00 0.00 C ATOM 1803 CG GLN B 29 17.949 3.849 -15.748 1.00 0.00 C ATOM 1804 CD GLN B 29 18.065 2.417 -16.242 1.00 0.00 C ATOM 1805 OE1 GLN B 29 18.962 2.086 -17.019 1.00 0.00 O ATOM 1806 NE2 GLN B 29 17.154 1.560 -15.794 1.00 0.00 N ATOM 0 H GLN B 29 17.513 5.904 -14.232 1.00 0.00 H new ATOM 0 HA GLN B 29 19.150 3.832 -13.107 1.00 0.00 H new ATOM 0 HB2 GLN B 29 19.549 5.271 -15.747 1.00 0.00 H new ATOM 0 HB3 GLN B 29 20.037 3.642 -15.325 1.00 0.00 H new ATOM 0 HG2 GLN B 29 17.176 3.902 -14.981 1.00 0.00 H new ATOM 0 HG3 GLN B 29 17.626 4.487 -16.571 1.00 0.00 H new ATOM 0 HE21 GLN B 29 16.428 1.877 -15.151 1.00 0.00 H new ATOM 0 HE22 GLN B 29 17.180 0.585 -16.093 1.00 0.00 H new ATOM 1815 N ASP B 30 21.479 4.816 -12.910 1.00 0.00 N ATOM 1816 CA ASP B 30 22.743 5.434 -12.495 1.00 0.00 C ATOM 1817 C ASP B 30 22.550 6.336 -11.273 1.00 0.00 C ATOM 1818 O ASP B 30 23.170 7.397 -11.170 1.00 0.00 O ATOM 1819 CB ASP B 30 23.347 6.240 -13.653 1.00 0.00 C ATOM 1820 CG ASP B 30 24.114 5.375 -14.638 1.00 0.00 C ATOM 1821 OD1 ASP B 30 23.715 4.208 -14.849 1.00 0.00 O ATOM 1822 OD2 ASP B 30 25.115 5.865 -15.202 1.00 0.00 O ATOM 0 H ASP B 30 21.485 3.796 -12.883 1.00 0.00 H new ATOM 0 HA ASP B 30 23.429 4.634 -12.219 1.00 0.00 H new ATOM 0 HB2 ASP B 30 22.549 6.762 -14.181 1.00 0.00 H new ATOM 0 HB3 ASP B 30 24.014 7.002 -13.250 1.00 0.00 H new ATOM 1827 N SER B 31 21.692 5.910 -10.347 1.00 0.00 N ATOM 1828 CA SER B 31 21.424 6.684 -9.139 1.00 0.00 C ATOM 1829 C SER B 31 21.887 5.937 -7.887 1.00 0.00 C ATOM 1830 O SER B 31 22.374 4.806 -7.969 1.00 0.00 O ATOM 1831 CB SER B 31 19.927 7.003 -9.042 1.00 0.00 C ATOM 1832 OG SER B 31 19.206 5.935 -8.447 1.00 0.00 O ATOM 0 H SER B 31 21.172 5.035 -10.411 1.00 0.00 H new ATOM 0 HA SER B 31 21.987 7.615 -9.201 1.00 0.00 H new ATOM 0 HB2 SER B 31 19.784 7.911 -8.456 1.00 0.00 H new ATOM 0 HB3 SER B 31 19.531 7.201 -10.038 1.00 0.00 H new ATOM 0 HG SER B 31 18.723 6.265 -7.661 1.00 0.00 H new ATOM 1838 N LEU B 32 21.728 6.577 -6.728 1.00 0.00 N ATOM 1839 CA LEU B 32 22.120 5.973 -5.455 1.00 0.00 C ATOM 1840 C LEU B 32 21.293 4.717 -5.177 1.00 0.00 C ATOM 1841 O LEU B 32 21.808 3.736 -4.641 1.00 0.00 O ATOM 1842 CB LEU B 32 21.954 6.978 -4.310 1.00 0.00 C ATOM 1843 CG LEU B 32 22.807 8.243 -4.426 1.00 0.00 C ATOM 1844 CD1 LEU B 32 22.354 9.287 -3.418 1.00 0.00 C ATOM 1845 CD2 LEU B 32 24.277 7.912 -4.224 1.00 0.00 C ATOM 0 H LEU B 32 21.331 7.513 -6.645 1.00 0.00 H new ATOM 0 HA LEU B 32 23.170 5.690 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU B 32 20.905 7.270 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU B 32 22.197 6.479 -3.372 1.00 0.00 H new ATOM 0 HG LEU B 32 22.679 8.654 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU B 32 22.972 10.179 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU B 32 21.312 9.545 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU B 32 22.453 8.886 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU B 32 24.870 8.823 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.420 7.478 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU B 32 24.597 7.198 -4.983 1.00 0.00 H new ATOM 1857 N ALA B 33 20.012 4.751 -5.555 1.00 0.00 N ATOM 1858 CA ALA B 33 19.117 3.610 -5.359 1.00 0.00 C ATOM 1859 C ALA B 33 19.559 2.416 -6.203 1.00 0.00 C ATOM 1860 O ALA B 33 19.584 1.283 -5.721 1.00 0.00 O ATOM 1861 CB ALA B 33 17.684 3.993 -5.700 1.00 0.00 C ATOM 0 H ALA B 33 19.572 5.557 -5.999 1.00 0.00 H new ATOM 0 HA ALA B 33 19.164 3.322 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA B 33 17.032 3.133 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA B 33 17.362 4.810 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA B 33 17.630 4.310 -6.741 1.00 0.00 H new ATOM 1867 N ALA B 34 19.915 2.679 -7.462 1.00 0.00 N ATOM 1868 CA ALA B 34 20.364 1.624 -8.369 1.00 0.00 C ATOM 1869 C ALA B 34 21.601 0.920 -7.815 1.00 0.00 C ATOM 1870 O ALA B 34 21.693 -0.307 -7.849 1.00 0.00 O ATOM 1871 CB ALA B 34 20.647 2.194 -9.752 1.00 0.00 C ATOM 0 H ALA B 34 19.901 3.612 -7.875 1.00 0.00 H new ATOM 0 HA ALA B 34 19.565 0.887 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA B 34 20.980 1.395 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA B 34 19.738 2.643 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA B 34 21.425 2.954 -9.680 1.00 0.00 H new ATOM 1877 N ARG B 35 22.546 1.706 -7.293 1.00 0.00 N ATOM 1878 CA ARG B 35 23.771 1.156 -6.717 1.00 0.00 C ATOM 1879 C ARG B 35 23.477 0.447 -5.393 1.00 0.00 C ATOM 1880 O ARG B 35 24.044 -0.609 -5.109 1.00 0.00 O ATOM 1881 CB ARG B 35 24.807 2.267 -6.498 1.00 0.00 C ATOM 1882 CG ARG B 35 26.174 1.761 -6.054 1.00 0.00 C ATOM 1883 CD ARG B 35 26.719 0.705 -7.005 1.00 0.00 C ATOM 1884 NE ARG B 35 28.113 0.364 -6.709 1.00 0.00 N ATOM 1885 CZ ARG B 35 28.722 -0.740 -7.148 1.00 0.00 C ATOM 1886 NH1 ARG B 35 28.070 -1.621 -7.904 1.00 0.00 N ATOM 1887 NH2 ARG B 35 29.993 -0.965 -6.829 1.00 0.00 N ATOM 0 H ARG B 35 22.485 2.724 -7.258 1.00 0.00 H new ATOM 0 HA ARG B 35 24.177 0.428 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG B 35 24.923 2.830 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG B 35 24.427 2.961 -5.749 1.00 0.00 H new ATOM 0 HG2 ARG B 35 26.872 2.597 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG B 35 26.099 1.343 -5.050 1.00 0.00 H new ATOM 0 HD2 ARG B 35 26.105 -0.193 -6.939 1.00 0.00 H new ATOM 0 HD3 ARG B 35 26.645 1.068 -8.030 1.00 0.00 H new ATOM 0 HE ARG B 35 28.651 1.010 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG B 35 27.095 -1.456 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG B 35 28.546 -2.461 -8.234 1.00 0.00 H new ATOM 0 HH21 ARG B 35 30.500 -0.295 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG B 35 30.461 -1.808 -7.163 1.00 0.00 H new ATOM 1901 N ASP B 36 22.584 1.032 -4.589 1.00 0.00 N ATOM 1902 CA ASP B 36 22.213 0.450 -3.298 1.00 0.00 C ATOM 1903 C ASP B 36 21.512 -0.897 -3.480 1.00 0.00 C ATOM 1904 O ASP B 36 21.682 -1.806 -2.667 1.00 0.00 O ATOM 1905 CB ASP B 36 21.301 1.399 -2.517 1.00 0.00 C ATOM 1906 CG ASP B 36 21.457 1.240 -1.014 1.00 0.00 C ATOM 1907 OD1 ASP B 36 22.601 1.344 -0.521 1.00 0.00 O ATOM 1908 OD2 ASP B 36 20.436 1.010 -0.332 1.00 0.00 O ATOM 0 H ASP B 36 22.106 1.906 -4.810 1.00 0.00 H new ATOM 0 HA ASP B 36 23.133 0.293 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP B 36 21.526 2.428 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP B 36 20.263 1.213 -2.794 1.00 0.00 H new ATOM 1913 N GLY B 37 20.720 -1.016 -4.547 1.00 0.00 N ATOM 1914 CA GLY B 37 20.005 -2.251 -4.810 1.00 0.00 C ATOM 1915 C GLY B 37 18.922 -2.526 -3.783 1.00 0.00 C ATOM 1916 O GLY B 37 18.733 -3.672 -3.367 1.00 0.00 O ATOM 0 H GLY B 37 20.563 -0.277 -5.232 1.00 0.00 H new ATOM 0 HA2 GLY B 37 19.556 -2.203 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY B 37 20.711 -3.081 -4.819 1.00 0.00 H new ATOM 1920 N ASN B 38 18.211 -1.476 -3.369 1.00 0.00 N ATOM 1921 CA ASN B 38 17.142 -1.618 -2.381 1.00 0.00 C ATOM 1922 C ASN B 38 15.855 -0.948 -2.857 1.00 0.00 C ATOM 1923 O ASN B 38 14.792 -1.567 -2.855 1.00 0.00 O ATOM 1924 CB ASN B 38 17.580 -1.029 -1.039 1.00 0.00 C ATOM 1925 CG ASN B 38 18.424 -1.997 -0.232 1.00 0.00 C ATOM 1926 OD1 ASN B 38 17.900 -2.888 0.435 1.00 0.00 O ATOM 1927 ND2 ASN B 38 19.741 -1.825 -0.288 1.00 0.00 N ATOM 0 H ASN B 38 18.355 -0.522 -3.701 1.00 0.00 H new ATOM 0 HA ASN B 38 16.941 -2.682 -2.254 1.00 0.00 H new ATOM 0 HB2 ASN B 38 18.147 -0.115 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN B 38 16.698 -0.751 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN B 38 20.359 -2.445 0.235 1.00 0.00 H new ATOM 0 HD22 ASN B 38 20.133 -1.073 -0.854 1.00 0.00 H new ATOM 1934 N ILE B 39 15.958 0.316 -3.264 1.00 0.00 N ATOM 1935 CA ILE B 39 14.798 1.064 -3.744 1.00 0.00 C ATOM 1936 C ILE B 39 14.351 0.556 -5.113 1.00 0.00 C ATOM 1937 O ILE B 39 15.092 0.652 -6.092 1.00 0.00 O ATOM 1938 CB ILE B 39 15.093 2.579 -3.836 1.00 0.00 C ATOM 1939 CG1 ILE B 39 15.739 3.085 -2.542 1.00 0.00 C ATOM 1940 CG2 ILE B 39 13.817 3.358 -4.137 1.00 0.00 C ATOM 1941 CD1 ILE B 39 14.898 2.843 -1.306 1.00 0.00 C ATOM 0 H ILE B 39 16.831 0.843 -3.271 1.00 0.00 H new ATOM 0 HA ILE B 39 13.999 0.908 -3.019 1.00 0.00 H new ATOM 0 HB ILE B 39 15.795 2.740 -4.654 1.00 0.00 H new ATOM 0 HG12 ILE B 39 16.705 2.597 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE B 39 15.931 4.154 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE B 39 14.046 4.422 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE B 39 13.401 3.022 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE B 39 13.091 3.188 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE B 39 15.420 3.228 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE B 39 13.941 3.354 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE B 39 14.727 1.773 -1.186 1.00 0.00 H new ATOM 1953 N GLN B 40 13.135 0.013 -5.170 1.00 0.00 N ATOM 1954 CA GLN B 40 12.584 -0.516 -6.417 1.00 0.00 C ATOM 1955 C GLN B 40 11.218 0.096 -6.721 1.00 0.00 C ATOM 1956 O GLN B 40 10.641 0.798 -5.888 1.00 0.00 O ATOM 1957 CB GLN B 40 12.465 -2.041 -6.339 1.00 0.00 C ATOM 1958 CG GLN B 40 13.771 -2.773 -6.606 1.00 0.00 C ATOM 1959 CD GLN B 40 13.743 -4.210 -6.117 1.00 0.00 C ATOM 1960 OE1 GLN B 40 13.008 -5.044 -6.647 1.00 0.00 O ATOM 1961 NE2 GLN B 40 14.544 -4.509 -5.100 1.00 0.00 N ATOM 0 H GLN B 40 12.513 -0.072 -4.366 1.00 0.00 H new ATOM 0 HA GLN B 40 13.266 -0.249 -7.224 1.00 0.00 H new ATOM 0 HB2 GLN B 40 12.100 -2.317 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN B 40 11.718 -2.375 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN B 40 13.978 -2.761 -7.676 1.00 0.00 H new ATOM 0 HG3 GLN B 40 14.588 -2.242 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN B 40 15.137 -3.788 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN B 40 14.565 -5.459 -4.730 1.00 0.00 H new ATOM 1970 N GLU B 41 10.706 -0.178 -7.922 1.00 0.00 N ATOM 1971 CA GLU B 41 9.406 0.342 -8.343 1.00 0.00 C ATOM 1972 C GLU B 41 8.273 -0.405 -7.646 1.00 0.00 C ATOM 1973 O GLU B 41 8.228 -1.637 -7.663 1.00 0.00 O ATOM 1974 CB GLU B 41 9.236 0.221 -9.861 1.00 0.00 C ATOM 1975 CG GLU B 41 10.386 0.805 -10.668 1.00 0.00 C ATOM 1976 CD GLU B 41 11.474 -0.209 -10.972 1.00 0.00 C ATOM 1977 OE1 GLU B 41 11.137 -1.350 -11.359 1.00 0.00 O ATOM 1978 OE2 GLU B 41 12.663 0.138 -10.822 1.00 0.00 O ATOM 0 H GLU B 41 11.173 -0.757 -8.620 1.00 0.00 H new ATOM 0 HA GLU B 41 9.366 1.395 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.124 -0.832 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.312 0.721 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU B 41 9.998 1.205 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU B 41 10.820 1.641 -10.119 1.00 0.00 H new ATOM 1985 N GLY B 42 7.363 0.345 -7.031 1.00 0.00 N ATOM 1986 CA GLY B 42 6.243 -0.266 -6.334 1.00 0.00 C ATOM 1987 C GLY B 42 6.504 -0.463 -4.848 1.00 0.00 C ATOM 1988 O GLY B 42 5.562 -0.635 -4.071 1.00 0.00 O ATOM 0 H GLY B 42 7.380 1.364 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.358 0.358 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.021 -1.231 -6.790 1.00 0.00 H new ATOM 1992 N ASP B 43 7.782 -0.440 -4.451 1.00 0.00 N ATOM 1993 CA ASP B 43 8.161 -0.619 -3.049 1.00 0.00 C ATOM 1994 C ASP B 43 7.468 0.412 -2.155 1.00 0.00 C ATOM 1995 O ASP B 43 7.448 1.603 -2.467 1.00 0.00 O ATOM 1996 CB ASP B 43 9.685 -0.513 -2.890 1.00 0.00 C ATOM 1997 CG ASP B 43 10.259 -1.547 -1.932 1.00 0.00 C ATOM 1998 OD1 ASP B 43 9.509 -2.046 -1.066 1.00 0.00 O ATOM 1999 OD2 ASP B 43 11.464 -1.856 -2.051 1.00 0.00 O ATOM 0 H ASP B 43 8.570 -0.299 -5.083 1.00 0.00 H new ATOM 0 HA ASP B 43 7.839 -1.613 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP B 43 10.155 -0.631 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP B 43 9.938 0.485 -2.532 1.00 0.00 H new ATOM 2004 N VAL B 44 6.895 -0.059 -1.048 1.00 0.00 N ATOM 2005 CA VAL B 44 6.192 0.814 -0.110 1.00 0.00 C ATOM 2006 C VAL B 44 7.069 1.158 1.095 1.00 0.00 C ATOM 2007 O VAL B 44 7.587 0.267 1.770 1.00 0.00 O ATOM 2008 CB VAL B 44 4.882 0.163 0.386 1.00 0.00 C ATOM 2009 CG1 VAL B 44 4.064 1.151 1.204 1.00 0.00 C ATOM 2010 CG2 VAL B 44 4.065 -0.365 -0.787 1.00 0.00 C ATOM 0 H VAL B 44 6.904 -1.043 -0.779 1.00 0.00 H new ATOM 0 HA VAL B 44 5.954 1.731 -0.649 1.00 0.00 H new ATOM 0 HB VAL B 44 5.144 -0.678 1.028 1.00 0.00 H new ATOM 0 HG11 VAL B 44 3.146 0.671 1.543 1.00 0.00 H new ATOM 0 HG12 VAL B 44 4.644 1.476 2.068 1.00 0.00 H new ATOM 0 HG13 VAL B 44 3.815 2.015 0.588 1.00 0.00 H new ATOM 0 HG21 VAL B 44 3.147 -0.819 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL B 44 3.817 0.458 -1.457 1.00 0.00 H new ATOM 0 HG23 VAL B 44 4.646 -1.112 -1.328 1.00 0.00 H new ATOM 2020 N VAL B 45 7.228 2.457 1.357 1.00 0.00 N ATOM 2021 CA VAL B 45 8.041 2.926 2.478 1.00 0.00 C ATOM 2022 C VAL B 45 7.177 3.251 3.697 1.00 0.00 C ATOM 2023 O VAL B 45 6.172 3.956 3.591 1.00 0.00 O ATOM 2024 CB VAL B 45 8.862 4.179 2.100 1.00 0.00 C ATOM 2025 CG1 VAL B 45 9.847 4.525 3.207 1.00 0.00 C ATOM 2026 CG2 VAL B 45 9.590 3.972 0.777 1.00 0.00 C ATOM 0 H VAL B 45 6.803 3.203 0.806 1.00 0.00 H new ATOM 0 HA VAL B 45 8.723 2.113 2.726 1.00 0.00 H new ATOM 0 HB VAL B 45 8.173 5.015 1.979 1.00 0.00 H new ATOM 0 HG11 VAL B 45 10.417 5.410 2.924 1.00 0.00 H new ATOM 0 HG12 VAL B 45 9.302 4.724 4.130 1.00 0.00 H new ATOM 0 HG13 VAL B 45 10.529 3.689 3.362 1.00 0.00 H new ATOM 0 HG21 VAL B 45 10.161 4.868 0.532 1.00 0.00 H new ATOM 0 HG22 VAL B 45 10.267 3.122 0.863 1.00 0.00 H new ATOM 0 HG23 VAL B 45 8.863 3.778 -0.012 1.00 0.00 H new ATOM 2036 N LEU B 46 7.588 2.731 4.852 1.00 0.00 N ATOM 2037 CA LEU B 46 6.874 2.956 6.105 1.00 0.00 C ATOM 2038 C LEU B 46 7.526 4.081 6.913 1.00 0.00 C ATOM 2039 O LEU B 46 6.835 4.946 7.458 1.00 0.00 O ATOM 2040 CB LEU B 46 6.858 1.663 6.932 1.00 0.00 C ATOM 2041 CG LEU B 46 5.604 1.424 7.781 1.00 0.00 C ATOM 2042 CD1 LEU B 46 5.329 2.610 8.693 1.00 0.00 C ATOM 2043 CD2 LEU B 46 4.402 1.138 6.893 1.00 0.00 C ATOM 0 H LEU B 46 8.419 2.146 4.945 1.00 0.00 H new ATOM 0 HA LEU B 46 5.852 3.252 5.870 1.00 0.00 H new ATOM 0 HB2 LEU B 46 6.979 0.819 6.253 1.00 0.00 H new ATOM 0 HB3 LEU B 46 7.725 1.667 7.593 1.00 0.00 H new ATOM 0 HG LEU B 46 5.782 0.551 8.409 1.00 0.00 H new ATOM 0 HD11 LEU B 46 4.434 2.415 9.284 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.178 2.761 9.359 1.00 0.00 H new ATOM 0 HD13 LEU B 46 5.177 3.505 8.090 1.00 0.00 H new ATOM 0 HD21 LEU B 46 3.522 0.971 7.514 1.00 0.00 H new ATOM 0 HD22 LEU B 46 4.225 1.989 6.235 1.00 0.00 H new ATOM 0 HD23 LEU B 46 4.596 0.249 6.293 1.00 0.00 H new ATOM 2055 N LYS B 47 8.860 4.059 6.997 1.00 0.00 N ATOM 2056 CA LYS B 47 9.605 5.070 7.752 1.00 0.00 C ATOM 2057 C LYS B 47 10.795 5.609 6.954 1.00 0.00 C ATOM 2058 O LYS B 47 11.328 4.924 6.080 1.00 0.00 O ATOM 2059 CB LYS B 47 10.102 4.469 9.074 1.00 0.00 C ATOM 2060 CG LYS B 47 9.487 5.105 10.311 1.00 0.00 C ATOM 2061 CD LYS B 47 10.299 4.789 11.558 1.00 0.00 C ATOM 2062 CE LYS B 47 9.401 4.545 12.764 1.00 0.00 C ATOM 2063 NZ LYS B 47 9.376 5.711 13.692 1.00 0.00 N ATOM 0 H LYS B 47 9.445 3.352 6.552 1.00 0.00 H new ATOM 0 HA LYS B 47 8.929 5.902 7.952 1.00 0.00 H new ATOM 0 HB2 LYS B 47 9.884 3.401 9.081 1.00 0.00 H new ATOM 0 HB3 LYS B 47 11.186 4.574 9.124 1.00 0.00 H new ATOM 0 HG2 LYS B 47 9.429 6.185 10.176 1.00 0.00 H new ATOM 0 HG3 LYS B 47 8.466 4.745 10.438 1.00 0.00 H new ATOM 0 HD2 LYS B 47 10.915 3.908 11.378 1.00 0.00 H new ATOM 0 HD3 LYS B 47 10.978 5.615 11.770 1.00 0.00 H new ATOM 0 HE2 LYS B 47 8.388 4.332 12.423 1.00 0.00 H new ATOM 0 HE3 LYS B 47 9.749 3.663 13.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 8.597 5.597 14.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 10.279 5.765 14.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 9.234 6.585 13.147 1.00 0.00 H new ATOM 2077 N ILE B 48 11.211 6.839 7.272 1.00 0.00 N ATOM 2078 CA ILE B 48 12.345 7.471 6.597 1.00 0.00 C ATOM 2079 C ILE B 48 13.303 8.101 7.614 1.00 0.00 C ATOM 2080 O ILE B 48 12.909 8.972 8.390 1.00 0.00 O ATOM 2081 CB ILE B 48 11.881 8.544 5.585 1.00 0.00 C ATOM 2082 CG1 ILE B 48 10.789 7.977 4.669 1.00 0.00 C ATOM 2083 CG2 ILE B 48 13.059 9.048 4.759 1.00 0.00 C ATOM 2084 CD1 ILE B 48 10.161 9.006 3.752 1.00 0.00 C ATOM 0 H ILE B 48 10.778 7.416 7.993 1.00 0.00 H new ATOM 0 HA ILE B 48 12.869 6.687 6.049 1.00 0.00 H new ATOM 0 HB ILE B 48 11.467 9.385 6.141 1.00 0.00 H new ATOM 0 HG12 ILE B 48 11.216 7.177 4.063 1.00 0.00 H new ATOM 0 HG13 ILE B 48 10.009 7.529 5.284 1.00 0.00 H new ATOM 0 HG21 ILE B 48 12.712 9.802 4.053 1.00 0.00 H new ATOM 0 HG22 ILE B 48 13.806 9.487 5.421 1.00 0.00 H new ATOM 0 HG23 ILE B 48 13.502 8.216 4.212 1.00 0.00 H new ATOM 0 HD11 ILE B 48 9.399 8.528 3.136 1.00 0.00 H new ATOM 0 HD12 ILE B 48 9.703 9.794 4.349 1.00 0.00 H new ATOM 0 HD13 ILE B 48 10.929 9.437 3.109 1.00 0.00 H new ATOM 2096 N ASN B 49 14.559 7.635 7.603 1.00 0.00 N ATOM 2097 CA ASN B 49 15.606 8.115 8.518 1.00 0.00 C ATOM 2098 C ASN B 49 15.089 8.254 9.957 1.00 0.00 C ATOM 2099 O ASN B 49 15.455 9.187 10.675 1.00 0.00 O ATOM 2100 CB ASN B 49 16.209 9.445 8.023 1.00 0.00 C ATOM 2101 CG ASN B 49 15.200 10.582 7.934 1.00 0.00 C ATOM 2102 OD1 ASN B 49 14.627 11.005 8.937 1.00 0.00 O ATOM 2103 ND2 ASN B 49 14.987 11.093 6.728 1.00 0.00 N ATOM 0 H ASN B 49 14.879 6.913 6.958 1.00 0.00 H new ATOM 0 HA ASN B 49 16.395 7.363 8.525 1.00 0.00 H new ATOM 0 HB2 ASN B 49 17.016 9.739 8.694 1.00 0.00 H new ATOM 0 HB3 ASN B 49 16.653 9.288 7.040 1.00 0.00 H new ATOM 0 HD21 ASN B 49 14.329 11.863 6.609 1.00 0.00 H new ATOM 0 HD22 ASN B 49 15.481 10.715 5.920 1.00 0.00 H new ATOM 2110 N GLY B 50 14.238 7.313 10.375 1.00 0.00 N ATOM 2111 CA GLY B 50 13.687 7.350 11.721 1.00 0.00 C ATOM 2112 C GLY B 50 12.505 8.299 11.848 1.00 0.00 C ATOM 2113 O GLY B 50 12.360 8.980 12.864 1.00 0.00 O ATOM 0 H GLY B 50 13.922 6.528 9.805 1.00 0.00 H new ATOM 0 HA2 GLY B 50 13.374 6.346 12.008 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.467 7.653 12.420 1.00 0.00 H new ATOM 2117 N THR B 51 11.661 8.351 10.814 1.00 0.00 N ATOM 2118 CA THR B 51 10.490 9.230 10.817 1.00 0.00 C ATOM 2119 C THR B 51 9.340 8.596 10.040 1.00 0.00 C ATOM 2120 O THR B 51 9.472 8.314 8.848 1.00 0.00 O ATOM 2121 CB THR B 51 10.840 10.598 10.208 1.00 0.00 C ATOM 2122 OG1 THR B 51 12.212 10.902 10.397 1.00 0.00 O ATOM 2123 CG2 THR B 51 10.040 11.741 10.795 1.00 0.00 C ATOM 0 H THR B 51 11.767 7.795 9.965 1.00 0.00 H new ATOM 0 HA THR B 51 10.178 9.374 11.851 1.00 0.00 H new ATOM 0 HB THR B 51 10.596 10.506 9.150 1.00 0.00 H new ATOM 0 HG1 THR B 51 12.716 10.651 9.595 1.00 0.00 H new ATOM 0 HG21 THR B 51 10.338 12.676 10.320 1.00 0.00 H new ATOM 0 HG22 THR B 51 8.978 11.568 10.622 1.00 0.00 H new ATOM 0 HG23 THR B 51 10.227 11.803 11.867 1.00 0.00 H new ATOM 2131 N VAL B 52 8.214 8.376 10.721 1.00 0.00 N ATOM 2132 CA VAL B 52 7.039 7.776 10.085 1.00 0.00 C ATOM 2133 C VAL B 52 6.480 8.703 9.012 1.00 0.00 C ATOM 2134 O VAL B 52 6.416 9.917 9.208 1.00 0.00 O ATOM 2135 CB VAL B 52 5.923 7.450 11.105 1.00 0.00 C ATOM 2136 CG1 VAL B 52 4.824 6.625 10.446 1.00 0.00 C ATOM 2137 CG2 VAL B 52 6.488 6.715 12.314 1.00 0.00 C ATOM 0 H VAL B 52 8.091 8.603 11.708 1.00 0.00 H new ATOM 0 HA VAL B 52 7.370 6.841 9.633 1.00 0.00 H new ATOM 0 HB VAL B 52 5.493 8.390 11.450 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.047 6.404 11.177 1.00 0.00 H new ATOM 0 HG12 VAL B 52 4.394 7.188 9.618 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.245 5.692 10.071 1.00 0.00 H new ATOM 0 HG21 VAL B 52 5.683 6.497 13.016 1.00 0.00 H new ATOM 0 HG22 VAL B 52 6.949 5.782 11.990 1.00 0.00 H new ATOM 0 HG23 VAL B 52 7.237 7.339 12.802 1.00 0.00 H new ATOM 2147 N THR B 53 6.085 8.127 7.879 1.00 0.00 N ATOM 2148 CA THR B 53 5.538 8.908 6.773 1.00 0.00 C ATOM 2149 C THR B 53 4.119 8.459 6.427 1.00 0.00 C ATOM 2150 O THR B 53 3.735 8.436 5.258 1.00 0.00 O ATOM 2151 CB THR B 53 6.443 8.799 5.536 1.00 0.00 C ATOM 2152 OG1 THR B 53 7.698 8.223 5.864 1.00 0.00 O ATOM 2153 CG2 THR B 53 6.710 10.134 4.877 1.00 0.00 C ATOM 0 H THR B 53 6.133 7.123 7.703 1.00 0.00 H new ATOM 0 HA THR B 53 5.498 9.950 7.090 1.00 0.00 H new ATOM 0 HB THR B 53 5.896 8.164 4.840 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.824 7.399 5.349 1.00 0.00 H new ATOM 0 HG21 THR B 53 7.355 9.989 4.010 1.00 0.00 H new ATOM 0 HG22 THR B 53 5.767 10.577 4.558 1.00 0.00 H new ATOM 0 HG23 THR B 53 7.201 10.799 5.588 1.00 0.00 H new ATOM 2161 N GLU B 54 3.336 8.120 7.449 1.00 0.00 N ATOM 2162 CA GLU B 54 1.961 7.696 7.238 1.00 0.00 C ATOM 2163 C GLU B 54 1.002 8.830 7.579 1.00 0.00 C ATOM 2164 O GLU B 54 1.267 9.630 8.479 1.00 0.00 O ATOM 2165 CB GLU B 54 1.638 6.459 8.077 1.00 0.00 C ATOM 2166 CG GLU B 54 1.130 5.285 7.257 1.00 0.00 C ATOM 2167 CD GLU B 54 1.916 4.014 7.505 1.00 0.00 C ATOM 2168 OE1 GLU B 54 2.917 3.788 6.793 1.00 0.00 O ATOM 2169 OE2 GLU B 54 1.526 3.241 8.405 1.00 0.00 O ATOM 0 H GLU B 54 3.632 8.132 8.425 1.00 0.00 H new ATOM 0 HA GLU B 54 1.841 7.436 6.186 1.00 0.00 H new ATOM 0 HB2 GLU B 54 2.533 6.153 8.618 1.00 0.00 H new ATOM 0 HB3 GLU B 54 0.888 6.722 8.823 1.00 0.00 H new ATOM 0 HG2 GLU B 54 0.080 5.110 7.493 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.181 5.538 6.198 1.00 0.00 H new ATOM 2176 N ASN B 55 -0.106 8.896 6.845 1.00 0.00 N ATOM 2177 CA ASN B 55 -1.119 9.935 7.048 1.00 0.00 C ATOM 2178 C ASN B 55 -0.575 11.341 6.752 1.00 0.00 C ATOM 2179 O ASN B 55 -1.245 12.337 7.033 1.00 0.00 O ATOM 2180 CB ASN B 55 -1.674 9.875 8.475 1.00 0.00 C ATOM 2181 CG ASN B 55 -2.130 8.479 8.868 1.00 0.00 C ATOM 2182 OD1 ASN B 55 -1.323 7.553 8.962 1.00 0.00 O ATOM 2183 ND2 ASN B 55 -3.428 8.317 9.103 1.00 0.00 N ATOM 0 H ASN B 55 -0.328 8.238 6.098 1.00 0.00 H new ATOM 0 HA ASN B 55 -1.925 9.738 6.341 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -0.908 10.213 9.173 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -2.513 10.565 8.564 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -3.787 7.401 9.372 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -4.065 9.109 9.015 1.00 0.00 H new ATOM 2190 N MET B 56 0.633 11.425 6.181 1.00 0.00 N ATOM 2191 CA MET B 56 1.237 12.713 5.858 1.00 0.00 C ATOM 2192 C MET B 56 1.016 13.075 4.388 1.00 0.00 C ATOM 2193 O MET B 56 0.706 12.214 3.563 1.00 0.00 O ATOM 2194 CB MET B 56 2.737 12.685 6.165 1.00 0.00 C ATOM 2195 CG MET B 56 3.188 13.800 7.097 1.00 0.00 C ATOM 2196 SD MET B 56 3.325 13.259 8.811 1.00 0.00 S ATOM 2197 CE MET B 56 4.469 11.890 8.643 1.00 0.00 C ATOM 0 H MET B 56 1.205 10.617 5.936 1.00 0.00 H new ATOM 0 HA MET B 56 0.756 13.473 6.474 1.00 0.00 H new ATOM 0 HB2 MET B 56 2.990 11.724 6.613 1.00 0.00 H new ATOM 0 HB3 MET B 56 3.292 12.757 5.230 1.00 0.00 H new ATOM 0 HG2 MET B 56 4.153 14.180 6.762 1.00 0.00 H new ATOM 0 HG3 MET B 56 2.481 14.627 7.037 1.00 0.00 H new ATOM 0 HE1 MET B 56 5.068 11.803 9.549 1.00 0.00 H new ATOM 0 HE2 MET B 56 3.911 10.967 8.487 1.00 0.00 H new ATOM 0 HE3 MET B 56 5.125 12.066 7.790 1.00 0.00 H new ATOM 2207 N SER B 57 1.184 14.358 4.068 1.00 0.00 N ATOM 2208 CA SER B 57 1.013 14.843 2.701 1.00 0.00 C ATOM 2209 C SER B 57 2.228 14.495 1.846 1.00 0.00 C ATOM 2210 O SER B 57 3.346 14.402 2.356 1.00 0.00 O ATOM 2211 CB SER B 57 0.789 16.359 2.695 1.00 0.00 C ATOM 2212 OG SER B 57 -0.205 16.737 3.635 1.00 0.00 O ATOM 0 H SER B 57 1.439 15.081 4.740 1.00 0.00 H new ATOM 0 HA SER B 57 0.137 14.353 2.276 1.00 0.00 H new ATOM 0 HB2 SER B 57 1.724 16.868 2.927 1.00 0.00 H new ATOM 0 HB3 SER B 57 0.490 16.681 1.697 1.00 0.00 H new ATOM 0 HG SER B 57 -0.326 17.709 3.610 1.00 0.00 H new ATOM 2218 N LEU B 58 2.005 14.313 0.543 1.00 0.00 N ATOM 2219 CA LEU B 58 3.090 13.985 -0.385 1.00 0.00 C ATOM 2220 C LEU B 58 4.215 15.015 -0.294 1.00 0.00 C ATOM 2221 O LEU B 58 5.382 14.691 -0.517 1.00 0.00 O ATOM 2222 CB LEU B 58 2.568 13.920 -1.822 1.00 0.00 C ATOM 2223 CG LEU B 58 3.518 13.260 -2.828 1.00 0.00 C ATOM 2224 CD1 LEU B 58 3.346 11.750 -2.811 1.00 0.00 C ATOM 2225 CD2 LEU B 58 3.282 13.810 -4.227 1.00 0.00 C ATOM 0 H LEU B 58 1.086 14.387 0.107 1.00 0.00 H new ATOM 0 HA LEU B 58 3.484 13.008 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.624 13.375 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU B 58 2.352 14.933 -2.160 1.00 0.00 H new ATOM 0 HG LEU B 58 4.542 13.493 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU B 58 4.028 11.298 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU B 58 3.567 11.370 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU B 58 2.319 11.498 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU B 58 3.966 13.330 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU B 58 2.254 13.609 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU B 58 3.457 14.886 -4.229 1.00 0.00 H new ATOM 2237 N THR B 59 3.853 16.255 0.041 1.00 0.00 N ATOM 2238 CA THR B 59 4.827 17.334 0.170 1.00 0.00 C ATOM 2239 C THR B 59 5.849 17.013 1.258 1.00 0.00 C ATOM 2240 O THR B 59 7.045 17.241 1.079 1.00 0.00 O ATOM 2241 CB THR B 59 4.128 18.658 0.493 1.00 0.00 C ATOM 2242 OG1 THR B 59 2.761 18.617 0.118 1.00 0.00 O ATOM 2243 CG2 THR B 59 4.754 19.850 -0.194 1.00 0.00 C ATOM 0 H THR B 59 2.890 16.534 0.228 1.00 0.00 H new ATOM 0 HA THR B 59 5.346 17.431 -0.784 1.00 0.00 H new ATOM 0 HB THR B 59 4.236 18.779 1.571 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.336 19.473 0.336 1.00 0.00 H new ATOM 0 HG21 THR B 59 4.210 20.754 0.079 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.794 19.945 0.118 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.710 19.712 -1.274 1.00 0.00 H new ATOM 2251 N ASP B 60 5.368 16.472 2.381 1.00 0.00 N ATOM 2252 CA ASP B 60 6.241 16.111 3.496 1.00 0.00 C ATOM 2253 C ASP B 60 7.328 15.140 3.041 1.00 0.00 C ATOM 2254 O ASP B 60 8.500 15.309 3.377 1.00 0.00 O ATOM 2255 CB ASP B 60 5.427 15.484 4.633 1.00 0.00 C ATOM 2256 CG ASP B 60 5.932 15.894 6.002 1.00 0.00 C ATOM 2257 OD1 ASP B 60 7.088 15.557 6.336 1.00 0.00 O ATOM 2258 OD2 ASP B 60 5.170 16.551 6.742 1.00 0.00 O ATOM 0 H ASP B 60 4.380 16.276 2.540 1.00 0.00 H new ATOM 0 HA ASP B 60 6.716 17.022 3.860 1.00 0.00 H new ATOM 0 HB2 ASP B 60 4.382 15.777 4.532 1.00 0.00 H new ATOM 0 HB3 ASP B 60 5.464 14.398 4.546 1.00 0.00 H new ATOM 2263 N ALA B 61 6.929 14.130 2.263 1.00 0.00 N ATOM 2264 CA ALA B 61 7.872 13.139 1.749 1.00 0.00 C ATOM 2265 C ALA B 61 8.988 13.817 0.959 1.00 0.00 C ATOM 2266 O ALA B 61 10.152 13.426 1.049 1.00 0.00 O ATOM 2267 CB ALA B 61 7.153 12.116 0.882 1.00 0.00 C ATOM 0 H ALA B 61 5.962 13.979 1.977 1.00 0.00 H new ATOM 0 HA ALA B 61 8.318 12.620 2.597 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.872 11.386 0.508 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.393 11.606 1.475 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.678 12.621 0.041 1.00 0.00 H new ATOM 2273 N LYS B 62 8.621 14.847 0.195 1.00 0.00 N ATOM 2274 CA LYS B 62 9.586 15.599 -0.602 1.00 0.00 C ATOM 2275 C LYS B 62 10.570 16.335 0.310 1.00 0.00 C ATOM 2276 O LYS B 62 11.762 16.416 0.010 1.00 0.00 O ATOM 2277 CB LYS B 62 8.865 16.598 -1.516 1.00 0.00 C ATOM 2278 CG LYS B 62 7.749 15.977 -2.346 1.00 0.00 C ATOM 2279 CD LYS B 62 7.533 16.730 -3.651 1.00 0.00 C ATOM 2280 CE LYS B 62 6.366 17.702 -3.547 1.00 0.00 C ATOM 2281 NZ LYS B 62 5.056 17.029 -3.773 1.00 0.00 N ATOM 0 H LYS B 62 7.660 15.179 0.113 1.00 0.00 H new ATOM 0 HA LYS B 62 10.141 14.897 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS B 62 8.448 17.399 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS B 62 9.593 17.054 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.992 14.937 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.824 15.975 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.440 17.275 -3.912 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.345 16.019 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS B 62 6.369 18.168 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS B 62 6.494 18.501 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 4.289 17.727 -3.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 5.042 16.606 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 4.921 16.283 -3.061 1.00 0.00 H new ATOM 2295 N THR B 63 10.063 16.857 1.429 1.00 0.00 N ATOM 2296 CA THR B 63 10.897 17.576 2.392 1.00 0.00 C ATOM 2297 C THR B 63 11.907 16.636 3.048 1.00 0.00 C ATOM 2298 O THR B 63 13.057 17.013 3.272 1.00 0.00 O ATOM 2299 CB THR B 63 10.037 18.231 3.474 1.00 0.00 C ATOM 2300 OG1 THR B 63 8.694 18.372 3.047 1.00 0.00 O ATOM 2301 CG2 THR B 63 10.530 19.601 3.882 1.00 0.00 C ATOM 0 H THR B 63 9.079 16.795 1.690 1.00 0.00 H new ATOM 0 HA THR B 63 11.435 18.351 1.846 1.00 0.00 H new ATOM 0 HB THR B 63 10.107 17.561 4.331 1.00 0.00 H new ATOM 0 HG1 THR B 63 8.167 18.792 3.759 1.00 0.00 H new ATOM 0 HG21 THR B 63 9.875 20.009 4.652 1.00 0.00 H new ATOM 0 HG22 THR B 63 11.544 19.521 4.273 1.00 0.00 H new ATOM 0 HG23 THR B 63 10.526 20.262 3.015 1.00 0.00 H new ATOM 2309 N LEU B 64 11.470 15.409 3.351 1.00 0.00 N ATOM 2310 CA LEU B 64 12.341 14.417 3.975 1.00 0.00 C ATOM 2311 C LEU B 64 13.592 14.194 3.127 1.00 0.00 C ATOM 2312 O LEU B 64 14.686 13.996 3.657 1.00 0.00 O ATOM 2313 CB LEU B 64 11.590 13.095 4.164 1.00 0.00 C ATOM 2314 CG LEU B 64 10.777 12.993 5.459 1.00 0.00 C ATOM 2315 CD1 LEU B 64 9.357 12.531 5.165 1.00 0.00 C ATOM 2316 CD2 LEU B 64 11.456 12.051 6.445 1.00 0.00 C ATOM 0 H LEU B 64 10.520 15.083 3.173 1.00 0.00 H new ATOM 0 HA LEU B 64 12.646 14.792 4.952 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.918 12.952 3.318 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.311 12.278 4.140 1.00 0.00 H new ATOM 0 HG LEU B 64 10.727 13.983 5.912 1.00 0.00 H new ATOM 0 HD11 LEU B 64 8.796 12.465 6.097 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.872 13.245 4.499 1.00 0.00 H new ATOM 0 HD13 LEU B 64 9.385 11.551 4.688 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.864 11.992 7.358 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.540 11.059 6.002 1.00 0.00 H new ATOM 0 HD23 LEU B 64 12.451 12.428 6.682 1.00 0.00 H new ATOM 2328 N ILE B 65 13.422 14.245 1.806 1.00 0.00 N ATOM 2329 CA ILE B 65 14.535 14.067 0.879 1.00 0.00 C ATOM 2330 C ILE B 65 15.418 15.317 0.839 1.00 0.00 C ATOM 2331 O ILE B 65 16.627 15.223 0.624 1.00 0.00 O ATOM 2332 CB ILE B 65 14.041 13.748 -0.551 1.00 0.00 C ATOM 2333 CG1 ILE B 65 13.017 12.605 -0.531 1.00 0.00 C ATOM 2334 CG2 ILE B 65 15.218 13.392 -1.450 1.00 0.00 C ATOM 2335 CD1 ILE B 65 12.053 12.633 -1.699 1.00 0.00 C ATOM 0 H ILE B 65 12.522 14.409 1.355 1.00 0.00 H new ATOM 0 HA ILE B 65 15.119 13.222 1.244 1.00 0.00 H new ATOM 0 HB ILE B 65 13.552 14.636 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE B 65 13.548 11.653 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE B 65 12.450 12.653 0.399 1.00 0.00 H new ATOM 0 HG21 ILE B 65 14.855 13.170 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE B 65 15.911 14.233 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE B 65 15.732 12.519 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE B 65 11.359 11.796 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE B 65 11.495 13.569 -1.688 1.00 0.00 H new ATOM 0 HD13 ILE B 65 12.610 12.554 -2.633 1.00 0.00 H new ATOM 2347 N GLU B 66 14.807 16.487 1.049 1.00 0.00 N ATOM 2348 CA GLU B 66 15.544 17.750 1.037 1.00 0.00 C ATOM 2349 C GLU B 66 16.462 17.862 2.253 1.00 0.00 C ATOM 2350 O GLU B 66 17.645 18.176 2.121 1.00 0.00 O ATOM 2351 CB GLU B 66 14.576 18.934 1.004 1.00 0.00 C ATOM 2352 CG GLU B 66 14.380 19.524 -0.382 1.00 0.00 C ATOM 2353 CD GLU B 66 15.001 20.901 -0.524 1.00 0.00 C ATOM 2354 OE1 GLU B 66 16.242 21.008 -0.417 1.00 0.00 O ATOM 2355 OE2 GLU B 66 14.247 21.873 -0.741 1.00 0.00 O ATOM 0 H GLU B 66 13.808 16.584 1.229 1.00 0.00 H new ATOM 0 HA GLU B 66 16.160 17.769 0.138 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.610 18.613 1.392 1.00 0.00 H new ATOM 0 HB3 GLU B 66 14.945 19.712 1.672 1.00 0.00 H new ATOM 0 HG2 GLU B 66 14.817 18.854 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.314 19.586 -0.599 1.00 0.00 H new ATOM 2362 N ARG B 67 15.908 17.602 3.438 1.00 0.00 N ATOM 2363 CA ARG B 67 16.677 17.670 4.679 1.00 0.00 C ATOM 2364 C ARG B 67 17.846 16.681 4.661 1.00 0.00 C ATOM 2365 O ARG B 67 18.908 16.957 5.218 1.00 0.00 O ATOM 2366 CB ARG B 67 15.773 17.385 5.883 1.00 0.00 C ATOM 2367 CG ARG B 67 16.061 18.272 7.084 1.00 0.00 C ATOM 2368 CD ARG B 67 14.809 18.992 7.563 1.00 0.00 C ATOM 2369 NE ARG B 67 14.545 20.210 6.794 1.00 0.00 N ATOM 2370 CZ ARG B 67 13.425 20.929 6.895 1.00 0.00 C ATOM 2371 NH1 ARG B 67 12.459 20.562 7.732 1.00 0.00 N ATOM 2372 NH2 ARG B 67 13.270 22.023 6.155 1.00 0.00 N ATOM 0 H ARG B 67 14.930 17.342 3.563 1.00 0.00 H new ATOM 0 HA ARG B 67 17.082 18.678 4.765 1.00 0.00 H new ATOM 0 HB2 ARG B 67 14.733 17.517 5.585 1.00 0.00 H new ATOM 0 HB3 ARG B 67 15.890 16.342 6.176 1.00 0.00 H new ATOM 0 HG2 ARG B 67 16.466 17.667 7.895 1.00 0.00 H new ATOM 0 HG3 ARG B 67 16.824 19.004 6.821 1.00 0.00 H new ATOM 0 HD2 ARG B 67 13.953 18.321 7.484 1.00 0.00 H new ATOM 0 HD3 ARG B 67 14.919 19.246 8.617 1.00 0.00 H new ATOM 0 HE ARG B 67 15.261 20.528 6.141 1.00 0.00 H new ATOM 0 HH11 ARG B 67 12.570 19.725 8.304 1.00 0.00 H new ATOM 0 HH12 ARG B 67 11.607 21.118 7.802 1.00 0.00 H new ATOM 0 HH21 ARG B 67 14.007 22.312 5.511 1.00 0.00 H new ATOM 0 HH22 ARG B 67 12.415 22.573 6.231 1.00 0.00 H new ATOM 2386 N SER B 68 17.643 15.532 4.011 1.00 0.00 N ATOM 2387 CA SER B 68 18.678 14.506 3.915 1.00 0.00 C ATOM 2388 C SER B 68 19.761 14.917 2.916 1.00 0.00 C ATOM 2389 O SER B 68 19.663 14.623 1.723 1.00 0.00 O ATOM 2390 CB SER B 68 18.060 13.171 3.500 1.00 0.00 C ATOM 2391 OG SER B 68 17.228 12.655 4.526 1.00 0.00 O ATOM 0 H SER B 68 16.769 15.291 3.544 1.00 0.00 H new ATOM 0 HA SER B 68 19.140 14.394 4.896 1.00 0.00 H new ATOM 0 HB2 SER B 68 17.479 13.303 2.588 1.00 0.00 H new ATOM 0 HB3 SER B 68 18.850 12.455 3.273 1.00 0.00 H new ATOM 0 HG SER B 68 16.320 13.008 4.420 1.00 0.00 H new ATOM 2397 N LYS B 69 20.795 15.598 3.413 1.00 0.00 N ATOM 2398 CA LYS B 69 21.900 16.050 2.567 1.00 0.00 C ATOM 2399 C LYS B 69 23.106 15.113 2.683 1.00 0.00 C ATOM 2400 O LYS B 69 24.255 15.557 2.645 1.00 0.00 O ATOM 2401 CB LYS B 69 22.302 17.481 2.948 1.00 0.00 C ATOM 2402 CG LYS B 69 21.708 18.545 2.038 1.00 0.00 C ATOM 2403 CD LYS B 69 21.403 19.824 2.801 1.00 0.00 C ATOM 2404 CE LYS B 69 20.054 19.746 3.501 1.00 0.00 C ATOM 2405 NZ LYS B 69 19.187 20.916 3.184 1.00 0.00 N ATOM 0 H LYS B 69 20.890 15.848 4.397 1.00 0.00 H new ATOM 0 HA LYS B 69 21.562 16.036 1.531 1.00 0.00 H new ATOM 0 HB2 LYS B 69 21.989 17.676 3.974 1.00 0.00 H new ATOM 0 HB3 LYS B 69 23.389 17.562 2.926 1.00 0.00 H new ATOM 0 HG2 LYS B 69 22.403 18.761 1.227 1.00 0.00 H new ATOM 0 HG3 LYS B 69 20.794 18.166 1.581 1.00 0.00 H new ATOM 0 HD2 LYS B 69 22.186 20.006 3.537 1.00 0.00 H new ATOM 0 HD3 LYS B 69 21.409 20.670 2.113 1.00 0.00 H new ATOM 0 HE2 LYS B 69 19.546 18.828 3.205 1.00 0.00 H new ATOM 0 HE3 LYS B 69 20.208 19.692 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 18.279 20.820 3.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 19.659 21.791 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 19.017 20.954 2.159 1.00 0.00 H new ATOM 2419 N GLY B 70 22.836 13.815 2.821 1.00 0.00 N ATOM 2420 CA GLY B 70 23.906 12.840 2.936 1.00 0.00 C ATOM 2421 C GLY B 70 23.395 11.415 2.898 1.00 0.00 C ATOM 2422 O GLY B 70 23.066 10.903 1.831 1.00 0.00 O ATOM 0 H GLY B 70 21.895 13.423 2.855 1.00 0.00 H new ATOM 0 HA2 GLY B 70 24.619 12.989 2.125 1.00 0.00 H new ATOM 0 HA3 GLY B 70 24.445 13.005 3.869 1.00 0.00 H new ATOM 2426 N LYS B 71 23.322 10.769 4.060 1.00 0.00 N ATOM 2427 CA LYS B 71 22.840 9.393 4.134 1.00 0.00 C ATOM 2428 C LYS B 71 21.339 9.351 4.428 1.00 0.00 C ATOM 2429 O LYS B 71 20.878 9.885 5.439 1.00 0.00 O ATOM 2430 CB LYS B 71 23.616 8.599 5.192 1.00 0.00 C ATOM 2431 CG LYS B 71 23.419 9.095 6.617 1.00 0.00 C ATOM 2432 CD LYS B 71 24.473 8.525 7.556 1.00 0.00 C ATOM 2433 CE LYS B 71 24.037 7.193 8.150 1.00 0.00 C ATOM 2434 NZ LYS B 71 24.399 6.042 7.275 1.00 0.00 N ATOM 0 H LYS B 71 23.589 11.174 4.957 1.00 0.00 H new ATOM 0 HA LYS B 71 23.009 8.929 3.163 1.00 0.00 H new ATOM 0 HB2 LYS B 71 23.313 7.553 5.139 1.00 0.00 H new ATOM 0 HB3 LYS B 71 24.678 8.636 4.950 1.00 0.00 H new ATOM 0 HG2 LYS B 71 23.465 10.184 6.634 1.00 0.00 H new ATOM 0 HG3 LYS B 71 22.426 8.813 6.968 1.00 0.00 H new ATOM 0 HD2 LYS B 71 25.410 8.393 7.014 1.00 0.00 H new ATOM 0 HD3 LYS B 71 24.667 9.236 8.359 1.00 0.00 H new ATOM 0 HE2 LYS B 71 24.501 7.064 9.128 1.00 0.00 H new ATOM 0 HE3 LYS B 71 22.958 7.203 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 24.452 5.175 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 23.676 5.926 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 25.322 6.221 6.831 1.00 0.00 H new ATOM 2448 N LEU B 72 20.586 8.714 3.533 1.00 0.00 N ATOM 2449 CA LEU B 72 19.136 8.599 3.687 1.00 0.00 C ATOM 2450 C LEU B 72 18.739 7.170 4.042 1.00 0.00 C ATOM 2451 O LEU B 72 19.343 6.210 3.561 1.00 0.00 O ATOM 2452 CB LEU B 72 18.426 9.031 2.401 1.00 0.00 C ATOM 2453 CG LEU B 72 17.307 10.061 2.591 1.00 0.00 C ATOM 2454 CD1 LEU B 72 17.082 10.850 1.311 1.00 0.00 C ATOM 2455 CD2 LEU B 72 16.020 9.378 3.030 1.00 0.00 C ATOM 0 H LEU B 72 20.956 8.269 2.693 1.00 0.00 H new ATOM 0 HA LEU B 72 18.831 9.257 4.501 1.00 0.00 H new ATOM 0 HB2 LEU B 72 19.167 9.444 1.717 1.00 0.00 H new ATOM 0 HB3 LEU B 72 18.007 8.147 1.921 1.00 0.00 H new ATOM 0 HG LEU B 72 17.612 10.756 3.373 1.00 0.00 H new ATOM 0 HD11 LEU B 72 16.284 11.576 1.467 1.00 0.00 H new ATOM 0 HD12 LEU B 72 17.999 11.372 1.039 1.00 0.00 H new ATOM 0 HD13 LEU B 72 16.801 10.168 0.508 1.00 0.00 H new ATOM 0 HD21 LEU B 72 15.237 10.125 3.160 1.00 0.00 H new ATOM 0 HD22 LEU B 72 15.713 8.659 2.271 1.00 0.00 H new ATOM 0 HD23 LEU B 72 16.187 8.860 3.974 1.00 0.00 H new ATOM 2467 N LYS B 73 17.718 7.035 4.881 1.00 0.00 N ATOM 2468 CA LYS B 73 17.234 5.723 5.295 1.00 0.00 C ATOM 2469 C LYS B 73 15.737 5.591 5.031 1.00 0.00 C ATOM 2470 O LYS B 73 14.982 6.545 5.212 1.00 0.00 O ATOM 2471 CB LYS B 73 17.523 5.491 6.779 1.00 0.00 C ATOM 2472 CG LYS B 73 18.641 4.492 7.034 1.00 0.00 C ATOM 2473 CD LYS B 73 19.538 4.942 8.176 1.00 0.00 C ATOM 2474 CE LYS B 73 20.536 3.862 8.567 1.00 0.00 C ATOM 2475 NZ LYS B 73 20.166 3.196 9.849 1.00 0.00 N ATOM 0 H LYS B 73 17.209 7.819 5.288 1.00 0.00 H new ATOM 0 HA LYS B 73 17.759 4.968 4.709 1.00 0.00 H new ATOM 0 HB2 LYS B 73 17.785 6.442 7.242 1.00 0.00 H new ATOM 0 HB3 LYS B 73 16.614 5.138 7.267 1.00 0.00 H new ATOM 0 HG2 LYS B 73 18.213 3.517 7.268 1.00 0.00 H new ATOM 0 HG3 LYS B 73 19.236 4.370 6.129 1.00 0.00 H new ATOM 0 HD2 LYS B 73 20.075 5.845 7.883 1.00 0.00 H new ATOM 0 HD3 LYS B 73 18.925 5.201 9.039 1.00 0.00 H new ATOM 0 HE2 LYS B 73 20.592 3.116 7.774 1.00 0.00 H new ATOM 0 HE3 LYS B 73 21.529 4.303 8.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 20.872 2.467 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 20.137 3.903 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 19.230 2.753 9.753 1.00 0.00 H new ATOM 2489 N MET B 74 15.318 4.403 4.606 1.00 0.00 N ATOM 2490 CA MET B 74 13.910 4.142 4.321 1.00 0.00 C ATOM 2491 C MET B 74 13.554 2.695 4.646 1.00 0.00 C ATOM 2492 O MET B 74 14.214 1.767 4.179 1.00 0.00 O ATOM 2493 CB MET B 74 13.597 4.440 2.851 1.00 0.00 C ATOM 2494 CG MET B 74 13.601 5.924 2.510 1.00 0.00 C ATOM 2495 SD MET B 74 12.515 6.322 1.127 1.00 0.00 S ATOM 2496 CE MET B 74 13.188 5.265 -0.152 1.00 0.00 C ATOM 0 H MET B 74 15.934 3.605 4.451 1.00 0.00 H new ATOM 0 HA MET B 74 13.309 4.799 4.950 1.00 0.00 H new ATOM 0 HB2 MET B 74 14.328 3.931 2.223 1.00 0.00 H new ATOM 0 HB3 MET B 74 12.620 4.023 2.605 1.00 0.00 H new ATOM 0 HG2 MET B 74 13.292 6.495 3.386 1.00 0.00 H new ATOM 0 HG3 MET B 74 14.618 6.235 2.270 1.00 0.00 H new ATOM 0 HE1 MET B 74 12.823 5.593 -1.125 1.00 0.00 H new ATOM 0 HE2 MET B 74 14.276 5.321 -0.135 1.00 0.00 H new ATOM 0 HE3 MET B 74 12.875 4.236 0.025 1.00 0.00 H new ATOM 2506 N VAL B 75 12.506 2.507 5.445 1.00 0.00 N ATOM 2507 CA VAL B 75 12.067 1.167 5.827 1.00 0.00 C ATOM 2508 C VAL B 75 10.907 0.711 4.945 1.00 0.00 C ATOM 2509 O VAL B 75 9.802 1.248 5.032 1.00 0.00 O ATOM 2510 CB VAL B 75 11.629 1.109 7.309 1.00 0.00 C ATOM 2511 CG1 VAL B 75 11.341 -0.326 7.730 1.00 0.00 C ATOM 2512 CG2 VAL B 75 12.685 1.733 8.213 1.00 0.00 C ATOM 0 H VAL B 75 11.947 3.263 5.839 1.00 0.00 H new ATOM 0 HA VAL B 75 12.919 0.500 5.690 1.00 0.00 H new ATOM 0 HB VAL B 75 10.711 1.687 7.412 1.00 0.00 H new ATOM 0 HG11 VAL B 75 11.035 -0.344 8.776 1.00 0.00 H new ATOM 0 HG12 VAL B 75 10.542 -0.733 7.111 1.00 0.00 H new ATOM 0 HG13 VAL B 75 12.240 -0.929 7.605 1.00 0.00 H new ATOM 0 HG21 VAL B 75 12.354 1.680 9.250 1.00 0.00 H new ATOM 0 HG22 VAL B 75 13.624 1.190 8.104 1.00 0.00 H new ATOM 0 HG23 VAL B 75 12.834 2.776 7.933 1.00 0.00 H new ATOM 2522 N VAL B 76 11.170 -0.281 4.097 1.00 0.00 N ATOM 2523 CA VAL B 76 10.149 -0.812 3.195 1.00 0.00 C ATOM 2524 C VAL B 76 9.594 -2.139 3.706 1.00 0.00 C ATOM 2525 O VAL B 76 10.130 -2.727 4.648 1.00 0.00 O ATOM 2526 CB VAL B 76 10.699 -1.011 1.766 1.00 0.00 C ATOM 2527 CG1 VAL B 76 10.936 0.333 1.091 1.00 0.00 C ATOM 2528 CG2 VAL B 76 11.977 -1.840 1.788 1.00 0.00 C ATOM 0 H VAL B 76 12.081 -0.733 4.015 1.00 0.00 H new ATOM 0 HA VAL B 76 9.347 -0.075 3.165 1.00 0.00 H new ATOM 0 HB VAL B 76 9.954 -1.556 1.187 1.00 0.00 H new ATOM 0 HG11 VAL B 76 11.324 0.172 0.085 1.00 0.00 H new ATOM 0 HG12 VAL B 76 9.996 0.882 1.034 1.00 0.00 H new ATOM 0 HG13 VAL B 76 11.658 0.909 1.670 1.00 0.00 H new ATOM 0 HG21 VAL B 76 12.346 -1.967 0.770 1.00 0.00 H new ATOM 0 HG22 VAL B 76 12.732 -1.329 2.386 1.00 0.00 H new ATOM 0 HG23 VAL B 76 11.769 -2.818 2.223 1.00 0.00 H new ATOM 2538 N GLN B 77 8.518 -2.607 3.075 1.00 0.00 N ATOM 2539 CA GLN B 77 7.887 -3.866 3.460 1.00 0.00 C ATOM 2540 C GLN B 77 7.663 -4.765 2.245 1.00 0.00 C ATOM 2541 O GLN B 77 7.407 -4.281 1.140 1.00 0.00 O ATOM 2542 CB GLN B 77 6.557 -3.603 4.177 1.00 0.00 C ATOM 2543 CG GLN B 77 5.526 -2.875 3.325 1.00 0.00 C ATOM 2544 CD GLN B 77 4.649 -3.819 2.520 1.00 0.00 C ATOM 2545 OE1 GLN B 77 4.591 -5.019 2.793 1.00 0.00 O ATOM 2546 NE2 GLN B 77 3.957 -3.280 1.522 1.00 0.00 N ATOM 0 H GLN B 77 8.065 -2.132 2.294 1.00 0.00 H new ATOM 0 HA GLN B 77 8.560 -4.382 4.145 1.00 0.00 H new ATOM 0 HB2 GLN B 77 6.137 -4.555 4.502 1.00 0.00 H new ATOM 0 HB3 GLN B 77 6.750 -3.016 5.075 1.00 0.00 H new ATOM 0 HG2 GLN B 77 4.895 -2.264 3.971 1.00 0.00 H new ATOM 0 HG3 GLN B 77 6.039 -2.196 2.645 1.00 0.00 H new ATOM 0 HE21 GLN B 77 4.034 -2.281 1.329 1.00 0.00 H new ATOM 0 HE22 GLN B 77 3.349 -3.865 0.949 1.00 0.00 H new