USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 267 GLN : amide:sc= -0.747 K(o=-0.24,f=1.3) USER MOD Set 1.2: A 296 THR OG1 : rot 180:sc= 0.505 USER MOD Set 2.1: A 250 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 310 THR OG1 : rot -131:sc= -1.9! USER MOD Set 3.1: A 248 THR OG1 : rot 180:sc= -0.21 USER MOD Set 3.2: A 312 THR OG1 : rot -125:sc= 0.635 USER MOD Single : A 227 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0611) USER MOD Single : A 232 THR OG1 : rot -67:sc= 1.5 USER MOD Single : A 233 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.93) USER MOD Single : A 235 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 THR OG1 : rot 180:sc= 0.00152 USER MOD Single : A 238 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 ASN : amide:sc= 0.0461 K(o=0.046,f=-7.8!) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 SER OG : rot 180:sc= -0.0185 USER MOD Single : A 245 TYR OH : rot 180:sc= 0 USER MOD Single : A 246 GLN : amide:sc= -0.0176 K(o=-0.018,f=-1) USER MOD Single : A 252 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 255 THR OG1 : rot 150:sc= 0.255 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : A 259 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 LYS NZ :NH3+ 170:sc= 1.07 (180deg=1.02) USER MOD Single : A 269 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00547) USER MOD Single : A 271 THR OG1 : rot -74:sc= 0.662 USER MOD Single : A 272 ASN : amide:sc= -0.145! X(o=-0.15!,f=-0.0089) USER MOD Single : A 292 SER OG : rot 3:sc= 0.656 USER MOD Single : A 294 THR OG1 : rot 180:sc= -0.004 USER MOD Single : A 298 THR OG1 : rot 74:sc= 0.396 USER MOD Single : A 302 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.5) USER MOD Single : A 303 SER OG : rot 106:sc= -1.06! USER MOD Single : A 305 SER OG : rot -36:sc= 0.299 USER MOD Single : A 314 SER OG : rot 180:sc= 0 USER MOD Single : A 340 SER OG : rot 82:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 47 N GLY A 226 12.375 -4.650 -9.055 1.00 0.00 N ATOM 48 CA GLY A 226 11.735 -4.520 -7.767 1.00 0.00 C ATOM 49 C GLY A 226 10.885 -5.725 -7.430 1.00 0.00 C ATOM 50 O GLY A 226 9.990 -6.100 -8.191 1.00 0.00 O ATOM 0 HA2 GLY A 226 12.495 -4.386 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 226 11.113 -3.625 -7.760 1.00 0.00 H new ATOM 54 N THR A 227 11.190 -6.356 -6.314 1.00 0.00 N ATOM 55 CA THR A 227 10.400 -7.466 -5.807 1.00 0.00 C ATOM 56 C THR A 227 10.534 -7.530 -4.296 1.00 0.00 C ATOM 57 O THR A 227 11.501 -8.081 -3.766 1.00 0.00 O ATOM 58 CB THR A 227 10.848 -8.812 -6.406 1.00 0.00 C ATOM 59 OG1 THR A 227 10.934 -8.708 -7.836 1.00 0.00 O ATOM 60 CG2 THR A 227 9.870 -9.920 -6.029 1.00 0.00 C ATOM 0 H THR A 227 11.992 -6.116 -5.731 1.00 0.00 H new ATOM 0 HA THR A 227 9.363 -7.294 -6.096 1.00 0.00 H new ATOM 0 HB THR A 227 11.829 -9.060 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 227 11.221 -9.567 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 227 10.204 -10.863 -6.462 1.00 0.00 H new ATOM 0 HG22 THR A 227 9.827 -10.014 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 227 8.879 -9.676 -6.412 1.00 0.00 H new ATOM 68 N LEU A 228 9.577 -6.943 -3.607 1.00 0.00 N ATOM 69 CA LEU A 228 9.612 -6.896 -2.166 1.00 0.00 C ATOM 70 C LEU A 228 8.353 -7.531 -1.597 1.00 0.00 C ATOM 71 O LEU A 228 7.489 -8.006 -2.338 1.00 0.00 O ATOM 72 CB LEU A 228 9.755 -5.455 -1.663 1.00 0.00 C ATOM 73 CG LEU A 228 10.948 -4.656 -2.259 1.00 0.00 C ATOM 74 CD1 LEU A 228 10.564 -3.859 -3.508 1.00 0.00 C ATOM 75 CD2 LEU A 228 11.538 -3.727 -1.213 1.00 0.00 C ATOM 0 H LEU A 228 8.764 -6.491 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 228 10.482 -7.458 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 228 8.833 -4.918 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 228 9.859 -5.475 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 228 11.695 -5.390 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 228 11.437 -3.322 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 228 10.203 -4.541 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 228 9.779 -3.146 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 228 12.372 -3.175 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 228 10.774 -3.026 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 228 11.892 -4.313 -0.364 1.00 0.00 H new ATOM 87 N THR A 229 8.258 -7.536 -0.287 1.00 0.00 N ATOM 88 CA THR A 229 7.169 -8.183 0.410 1.00 0.00 C ATOM 89 C THR A 229 6.638 -7.255 1.501 1.00 0.00 C ATOM 90 O THR A 229 7.305 -6.289 1.870 1.00 0.00 O ATOM 91 CB THR A 229 7.694 -9.494 1.027 1.00 0.00 C ATOM 92 OG1 THR A 229 8.292 -10.299 0.004 1.00 0.00 O ATOM 93 CG2 THR A 229 6.604 -10.299 1.729 1.00 0.00 C ATOM 0 H THR A 229 8.937 -7.089 0.329 1.00 0.00 H new ATOM 0 HA THR A 229 6.355 -8.406 -0.280 1.00 0.00 H new ATOM 0 HB THR A 229 8.430 -9.218 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 229 8.627 -11.132 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 229 7.035 -11.211 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 229 6.173 -9.703 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 229 5.825 -10.559 1.012 1.00 0.00 H new ATOM 101 N VAL A 230 5.444 -7.527 1.993 1.00 0.00 N ATOM 102 CA VAL A 230 4.865 -6.747 3.076 1.00 0.00 C ATOM 103 C VAL A 230 4.861 -7.573 4.354 1.00 0.00 C ATOM 104 O VAL A 230 4.435 -8.729 4.352 1.00 0.00 O ATOM 105 CB VAL A 230 3.432 -6.284 2.746 1.00 0.00 C ATOM 106 CG1 VAL A 230 2.836 -5.497 3.909 1.00 0.00 C ATOM 107 CG2 VAL A 230 3.435 -5.430 1.486 1.00 0.00 C ATOM 0 H VAL A 230 4.851 -8.287 1.659 1.00 0.00 H new ATOM 0 HA VAL A 230 5.477 -5.855 3.212 1.00 0.00 H new ATOM 0 HB VAL A 230 2.817 -7.168 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 230 1.825 -5.180 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 230 2.805 -6.128 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 230 3.451 -4.620 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.418 -5.108 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 230 4.066 -4.555 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.823 -6.014 0.651 1.00 0.00 H new ATOM 117 N LYS A 231 5.345 -6.986 5.437 1.00 0.00 N ATOM 118 CA LYS A 231 5.528 -7.718 6.682 1.00 0.00 C ATOM 119 C LYS A 231 4.509 -7.294 7.734 1.00 0.00 C ATOM 120 O LYS A 231 4.305 -7.986 8.730 1.00 0.00 O ATOM 121 CB LYS A 231 6.947 -7.484 7.205 1.00 0.00 C ATOM 122 CG LYS A 231 7.335 -8.363 8.380 1.00 0.00 C ATOM 123 CD LYS A 231 7.236 -9.837 8.027 1.00 0.00 C ATOM 124 CE LYS A 231 7.898 -10.704 9.079 1.00 0.00 C ATOM 125 NZ LYS A 231 7.288 -10.514 10.424 1.00 0.00 N1+ ATOM 0 H LYS A 231 5.619 -6.004 5.480 1.00 0.00 H new ATOM 0 HA LYS A 231 5.377 -8.779 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 231 7.653 -7.653 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.045 -6.439 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.353 -8.129 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 231 6.686 -8.146 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 231 6.188 -10.119 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 231 7.706 -10.013 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 231 7.817 -11.752 8.789 1.00 0.00 H new ATOM 0 HE3 LYS A 231 8.961 -10.468 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 7.662 -11.230 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 7.520 -9.564 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 6.255 -10.615 10.354 1.00 0.00 H new ATOM 139 N THR A 232 3.858 -6.171 7.501 1.00 0.00 N ATOM 140 CA THR A 232 2.963 -5.592 8.488 1.00 0.00 C ATOM 141 C THR A 232 1.705 -5.071 7.814 1.00 0.00 C ATOM 142 O THR A 232 1.479 -5.321 6.634 1.00 0.00 O ATOM 143 CB THR A 232 3.651 -4.450 9.256 1.00 0.00 C ATOM 144 OG1 THR A 232 4.273 -3.566 8.331 1.00 0.00 O ATOM 145 CG2 THR A 232 4.689 -4.985 10.234 1.00 0.00 C ATOM 0 H THR A 232 3.932 -5.639 6.634 1.00 0.00 H new ATOM 0 HA THR A 232 2.695 -6.374 9.199 1.00 0.00 H new ATOM 0 HB THR A 232 2.892 -3.917 9.829 1.00 0.00 H new ATOM 0 HG1 THR A 232 5.017 -4.025 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 232 5.156 -4.153 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 232 4.204 -5.644 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 232 5.450 -5.542 9.688 1.00 0.00 H new ATOM 153 N GLN A 233 0.903 -4.332 8.555 1.00 0.00 N ATOM 154 CA GLN A 233 -0.399 -3.917 8.071 1.00 0.00 C ATOM 155 C GLN A 233 -0.372 -2.445 7.682 1.00 0.00 C ATOM 156 O GLN A 233 -0.111 -1.581 8.518 1.00 0.00 O ATOM 157 CB GLN A 233 -1.457 -4.163 9.147 1.00 0.00 C ATOM 158 CG GLN A 233 -1.445 -5.581 9.703 1.00 0.00 C ATOM 159 CD GLN A 233 -2.343 -5.743 10.912 1.00 0.00 C ATOM 160 OE1 GLN A 233 -2.541 -4.807 11.688 1.00 0.00 O ATOM 161 NE2 GLN A 233 -2.895 -6.932 11.076 1.00 0.00 N ATOM 0 H GLN A 233 1.130 -4.007 9.495 1.00 0.00 H new ATOM 0 HA GLN A 233 -0.652 -4.504 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.301 -3.460 9.965 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.442 -3.954 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -1.762 -6.275 8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -0.425 -5.852 9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -2.704 -7.679 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -3.512 -7.103 11.870 1.00 0.00 H new ATOM 170 N PRO A 234 -0.625 -2.147 6.403 1.00 0.00 N ATOM 171 CA PRO A 234 -0.606 -0.777 5.892 1.00 0.00 C ATOM 172 C PRO A 234 -1.760 0.053 6.441 1.00 0.00 C ATOM 173 O PRO A 234 -2.909 -0.127 6.044 1.00 0.00 O ATOM 174 CB PRO A 234 -0.741 -0.958 4.378 1.00 0.00 C ATOM 175 CG PRO A 234 -1.413 -2.274 4.204 1.00 0.00 C ATOM 176 CD PRO A 234 -0.958 -3.128 5.353 1.00 0.00 C ATOM 0 HA PRO A 234 0.296 -0.241 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -1.329 -0.154 3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 234 0.234 -0.946 3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -2.497 -2.162 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -1.142 -2.727 3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -1.741 -3.813 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -0.094 -3.736 5.084 1.00 0.00 H new ATOM 184 N THR A 235 -1.454 0.954 7.361 1.00 0.00 N ATOM 185 CA THR A 235 -2.490 1.769 7.970 1.00 0.00 C ATOM 186 C THR A 235 -1.940 3.100 8.501 1.00 0.00 C ATOM 187 O THR A 235 -0.978 3.126 9.274 1.00 0.00 O ATOM 188 CB THR A 235 -3.195 0.977 9.101 1.00 0.00 C ATOM 189 OG1 THR A 235 -4.285 1.729 9.640 1.00 0.00 O ATOM 190 CG2 THR A 235 -2.225 0.607 10.224 1.00 0.00 C ATOM 0 H THR A 235 -0.509 1.137 7.698 1.00 0.00 H new ATOM 0 HA THR A 235 -3.218 2.011 7.196 1.00 0.00 H new ATOM 0 HB THR A 235 -3.574 0.056 8.658 1.00 0.00 H new ATOM 0 HG1 THR A 235 -4.719 1.213 10.351 1.00 0.00 H new ATOM 0 HG21 THR A 235 -2.758 0.053 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 235 -1.422 -0.011 9.822 1.00 0.00 H new ATOM 0 HG23 THR A 235 -1.803 1.515 10.654 1.00 0.00 H new ATOM 198 N VAL A 236 -2.527 4.201 8.034 1.00 0.00 N ATOM 199 CA VAL A 236 -2.245 5.531 8.563 1.00 0.00 C ATOM 200 C VAL A 236 -3.454 6.446 8.327 1.00 0.00 C ATOM 201 O VAL A 236 -4.383 6.050 7.626 1.00 0.00 O ATOM 202 CB VAL A 236 -0.910 6.129 7.988 1.00 0.00 C ATOM 203 CG1 VAL A 236 -0.971 7.622 7.704 1.00 0.00 C ATOM 204 CG2 VAL A 236 0.217 5.876 8.963 1.00 0.00 C ATOM 0 H VAL A 236 -3.212 4.194 7.278 1.00 0.00 H new ATOM 0 HA VAL A 236 -2.084 5.452 9.638 1.00 0.00 H new ATOM 0 HB VAL A 236 -0.744 5.627 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -0.011 7.957 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -1.753 7.821 6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -1.192 8.159 8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 236 1.143 6.291 8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -0.013 6.352 9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 236 0.335 4.803 9.112 1.00 0.00 H new ATOM 214 N THR A 237 -3.429 7.623 8.961 1.00 0.00 N ATOM 215 CA THR A 237 -4.475 8.644 8.908 1.00 0.00 C ATOM 216 C THR A 237 -5.493 8.450 7.784 1.00 0.00 C ATOM 217 O THR A 237 -5.162 8.560 6.599 1.00 0.00 O ATOM 218 CB THR A 237 -3.821 10.030 8.747 1.00 0.00 C ATOM 219 OG1 THR A 237 -2.900 10.257 9.824 1.00 0.00 O ATOM 220 CG2 THR A 237 -4.866 11.137 8.724 1.00 0.00 C ATOM 0 H THR A 237 -2.644 7.900 9.550 1.00 0.00 H new ATOM 0 HA THR A 237 -5.027 8.557 9.844 1.00 0.00 H new ATOM 0 HB THR A 237 -3.290 10.046 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 237 -2.484 11.138 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 237 -4.372 12.102 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 237 -5.547 10.977 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 237 -5.428 11.126 9.658 1.00 0.00 H new ATOM 228 N TYR A 238 -6.727 8.155 8.167 1.00 0.00 N ATOM 229 CA TYR A 238 -7.818 8.100 7.215 1.00 0.00 C ATOM 230 C TYR A 238 -8.690 9.327 7.415 1.00 0.00 C ATOM 231 O TYR A 238 -9.641 9.301 8.196 1.00 0.00 O ATOM 232 CB TYR A 238 -8.681 6.832 7.405 1.00 0.00 C ATOM 233 CG TYR A 238 -9.505 6.461 6.201 1.00 0.00 C ATOM 234 CD1 TYR A 238 -10.818 6.894 6.071 1.00 0.00 C ATOM 235 CD2 TYR A 238 -8.974 5.671 5.200 1.00 0.00 C ATOM 236 CE1 TYR A 238 -11.574 6.547 4.971 1.00 0.00 C ATOM 237 CE2 TYR A 238 -9.720 5.319 4.097 1.00 0.00 C ATOM 238 CZ TYR A 238 -11.020 5.759 3.984 1.00 0.00 C ATOM 239 OH TYR A 238 -11.768 5.409 2.884 1.00 0.00 O ATOM 0 H TYR A 238 -6.994 7.951 9.130 1.00 0.00 H new ATOM 0 HA TYR A 238 -7.399 8.072 6.209 1.00 0.00 H new ATOM 0 HB2 TYR A 238 -8.028 5.996 7.656 1.00 0.00 H new ATOM 0 HB3 TYR A 238 -9.347 6.983 8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 238 -11.254 7.512 6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 238 -7.955 5.323 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 238 -12.594 6.890 4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 238 -9.287 4.701 3.324 1.00 0.00 H new ATOM 0 HH TYR A 238 -11.228 4.853 2.285 1.00 0.00 H new ATOM 249 N ASN A 239 -8.354 10.401 6.730 1.00 0.00 N ATOM 250 CA ASN A 239 -9.053 11.656 6.906 1.00 0.00 C ATOM 251 C ASN A 239 -9.556 12.171 5.565 1.00 0.00 C ATOM 252 O ASN A 239 -8.870 12.087 4.550 1.00 0.00 O ATOM 253 CB ASN A 239 -8.125 12.668 7.585 1.00 0.00 C ATOM 254 CG ASN A 239 -8.845 13.910 8.076 1.00 0.00 C ATOM 255 OD1 ASN A 239 -9.682 14.486 7.381 1.00 0.00 O ATOM 256 ND2 ASN A 239 -8.539 14.318 9.296 1.00 0.00 N ATOM 0 H ASN A 239 -7.599 10.429 6.045 1.00 0.00 H new ATOM 0 HA ASN A 239 -9.922 11.505 7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 239 -7.630 12.187 8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 239 -7.345 12.963 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 239 -9.002 15.136 9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 239 -7.840 13.814 9.842 1.00 0.00 H new ATOM 263 N ALA A 240 -10.761 12.698 5.578 1.00 0.00 N ATOM 264 CA ALA A 240 -11.450 13.105 4.361 1.00 0.00 C ATOM 265 C ALA A 240 -11.481 14.618 4.216 1.00 0.00 C ATOM 266 O ALA A 240 -11.227 15.150 3.137 1.00 0.00 O ATOM 267 CB ALA A 240 -12.861 12.548 4.354 1.00 0.00 C ATOM 0 H ALA A 240 -11.296 12.859 6.431 1.00 0.00 H new ATOM 0 HA ALA A 240 -10.898 12.702 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 240 -13.370 12.857 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 240 -12.823 11.460 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 240 -13.406 12.927 5.219 1.00 0.00 H new ATOM 273 N VAL A 241 -11.792 15.309 5.308 1.00 0.00 N ATOM 274 CA VAL A 241 -11.827 16.767 5.314 1.00 0.00 C ATOM 275 C VAL A 241 -10.451 17.327 4.974 1.00 0.00 C ATOM 276 O VAL A 241 -10.325 18.323 4.264 1.00 0.00 O ATOM 277 CB VAL A 241 -12.285 17.308 6.690 1.00 0.00 C ATOM 278 CG1 VAL A 241 -12.323 18.832 6.704 1.00 0.00 C ATOM 279 CG2 VAL A 241 -13.649 16.739 7.063 1.00 0.00 C ATOM 0 H VAL A 241 -12.024 14.880 6.204 1.00 0.00 H new ATOM 0 HA VAL A 241 -12.546 17.089 4.560 1.00 0.00 H new ATOM 0 HB VAL A 241 -11.556 16.984 7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 241 -12.649 19.179 7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 241 -11.328 19.223 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 241 -13.020 19.186 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 241 -13.954 17.131 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 241 -14.382 17.027 6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 241 -13.588 15.652 7.114 1.00 0.00 H new ATOM 289 N LYS A 242 -9.423 16.648 5.457 1.00 0.00 N ATOM 290 CA LYS A 242 -8.046 17.046 5.201 1.00 0.00 C ATOM 291 C LYS A 242 -7.547 16.418 3.914 1.00 0.00 C ATOM 292 O LYS A 242 -6.442 16.701 3.450 1.00 0.00 O ATOM 293 CB LYS A 242 -7.169 16.608 6.367 1.00 0.00 C ATOM 294 CG LYS A 242 -7.721 17.067 7.695 1.00 0.00 C ATOM 295 CD LYS A 242 -7.414 18.529 7.946 1.00 0.00 C ATOM 296 CE LYS A 242 -8.487 19.169 8.799 1.00 0.00 C ATOM 297 NZ LYS A 242 -8.150 20.572 9.156 1.00 0.00 N1+ ATOM 0 H LYS A 242 -9.517 15.812 6.033 1.00 0.00 H new ATOM 0 HA LYS A 242 -8.000 18.130 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -7.082 15.521 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -6.164 17.008 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -8.800 16.911 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -7.296 16.462 8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -6.447 18.622 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -7.337 19.057 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -9.436 19.149 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -8.623 18.586 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -8.911 20.974 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -7.257 20.590 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -8.046 21.136 8.288 1.00 0.00 H new ATOM 311 N ASP A 243 -8.396 15.563 3.354 1.00 0.00 N ATOM 312 CA ASP A 243 -8.072 14.766 2.168 1.00 0.00 C ATOM 313 C ASP A 243 -6.750 14.044 2.371 1.00 0.00 C ATOM 314 O ASP A 243 -5.748 14.347 1.730 1.00 0.00 O ATOM 315 CB ASP A 243 -8.020 15.636 0.907 1.00 0.00 C ATOM 316 CG ASP A 243 -7.878 14.807 -0.358 1.00 0.00 C ATOM 317 OD1 ASP A 243 -8.906 14.304 -0.856 1.00 0.00 O ATOM 318 OD2 ASP A 243 -6.742 14.657 -0.861 1.00 0.00 O1- ATOM 0 H ASP A 243 -9.337 15.400 3.711 1.00 0.00 H new ATOM 0 HA ASP A 243 -8.863 14.029 2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 243 -8.927 16.237 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 243 -7.182 16.329 0.981 1.00 0.00 H new ATOM 323 N SER A 244 -6.745 13.101 3.290 1.00 0.00 N ATOM 324 CA SER A 244 -5.524 12.410 3.652 1.00 0.00 C ATOM 325 C SER A 244 -5.811 10.954 3.980 1.00 0.00 C ATOM 326 O SER A 244 -6.291 10.639 5.065 1.00 0.00 O ATOM 327 CB SER A 244 -4.873 13.100 4.853 1.00 0.00 C ATOM 328 OG SER A 244 -4.729 14.493 4.623 1.00 0.00 O ATOM 0 H SER A 244 -7.573 12.795 3.801 1.00 0.00 H new ATOM 0 HA SER A 244 -4.840 12.444 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 244 -5.479 12.936 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 244 -3.896 12.657 5.046 1.00 0.00 H new ATOM 0 HG SER A 244 -4.312 14.912 5.405 1.00 0.00 H new ATOM 334 N TYR A 245 -5.535 10.076 3.034 1.00 0.00 N ATOM 335 CA TYR A 245 -5.676 8.652 3.250 1.00 0.00 C ATOM 336 C TYR A 245 -4.321 8.005 3.005 1.00 0.00 C ATOM 337 O TYR A 245 -3.929 7.800 1.855 1.00 0.00 O ATOM 338 CB TYR A 245 -6.706 8.064 2.283 1.00 0.00 C ATOM 339 CG TYR A 245 -8.079 8.718 2.304 1.00 0.00 C ATOM 340 CD1 TYR A 245 -8.881 8.713 3.443 1.00 0.00 C ATOM 341 CD2 TYR A 245 -8.590 9.313 1.158 1.00 0.00 C ATOM 342 CE1 TYR A 245 -10.136 9.276 3.437 1.00 0.00 C ATOM 343 CE2 TYR A 245 -9.845 9.886 1.147 1.00 0.00 C ATOM 344 CZ TYR A 245 -10.613 9.863 2.286 1.00 0.00 C ATOM 345 OH TYR A 245 -11.871 10.417 2.269 1.00 0.00 O ATOM 0 H TYR A 245 -5.209 10.329 2.101 1.00 0.00 H new ATOM 0 HA TYR A 245 -6.016 8.463 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 245 -6.307 8.132 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 245 -6.825 7.004 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 245 -8.510 8.258 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 245 -7.993 9.327 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 245 -10.744 9.258 4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 245 -10.222 10.350 0.248 1.00 0.00 H new ATOM 0 HH TYR A 245 -12.052 10.790 1.381 1.00 0.00 H new ATOM 355 N GLN A 246 -3.596 7.689 4.067 1.00 0.00 N ATOM 356 CA GLN A 246 -2.219 7.237 3.918 1.00 0.00 C ATOM 357 C GLN A 246 -2.003 5.916 4.656 1.00 0.00 C ATOM 358 O GLN A 246 -2.929 5.397 5.273 1.00 0.00 O ATOM 359 CB GLN A 246 -1.273 8.320 4.442 1.00 0.00 C ATOM 360 CG GLN A 246 -1.502 9.691 3.826 1.00 0.00 C ATOM 361 CD GLN A 246 -0.690 10.772 4.508 1.00 0.00 C ATOM 362 OE1 GLN A 246 -0.391 10.684 5.698 1.00 0.00 O ATOM 363 NE2 GLN A 246 -0.335 11.806 3.763 1.00 0.00 N ATOM 0 H GLN A 246 -3.931 7.736 5.029 1.00 0.00 H new ATOM 0 HA GLN A 246 -2.008 7.062 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 246 -1.387 8.395 5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 246 -0.245 8.014 4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 246 -1.243 9.659 2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 246 -2.561 9.942 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 246 -0.603 11.842 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 246 0.206 12.567 4.172 1.00 0.00 H new ATOM 372 N PHE A 247 -0.789 5.363 4.593 1.00 0.00 N ATOM 373 CA PHE A 247 -0.505 4.108 5.277 1.00 0.00 C ATOM 374 C PHE A 247 0.984 3.922 5.579 1.00 0.00 C ATOM 375 O PHE A 247 1.813 3.994 4.684 1.00 0.00 O ATOM 376 CB PHE A 247 -1.040 2.908 4.494 1.00 0.00 C ATOM 377 CG PHE A 247 -0.599 2.793 3.052 1.00 0.00 C ATOM 378 CD1 PHE A 247 0.202 1.740 2.644 1.00 0.00 C ATOM 379 CD2 PHE A 247 -1.025 3.704 2.100 1.00 0.00 C ATOM 380 CE1 PHE A 247 0.566 1.597 1.322 1.00 0.00 C ATOM 381 CE2 PHE A 247 -0.655 3.571 0.777 1.00 0.00 C ATOM 382 CZ PHE A 247 0.136 2.515 0.388 1.00 0.00 C ATOM 0 H PHE A 247 -0.001 5.760 4.082 1.00 0.00 H new ATOM 0 HA PHE A 247 -1.027 4.163 6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 247 -0.741 1.999 5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 247 -2.129 2.944 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 247 0.547 1.020 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 247 -1.655 4.529 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 247 1.187 0.767 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 247 -0.986 4.295 0.048 1.00 0.00 H new ATOM 0 HZ PHE A 247 0.420 2.405 -0.648 1.00 0.00 H new ATOM 392 N THR A 248 1.320 3.675 6.847 1.00 0.00 N ATOM 393 CA THR A 248 2.690 3.369 7.231 1.00 0.00 C ATOM 394 C THR A 248 2.851 1.867 7.283 1.00 0.00 C ATOM 395 O THR A 248 1.981 1.170 7.812 1.00 0.00 O ATOM 396 CB THR A 248 3.043 3.959 8.620 1.00 0.00 C ATOM 397 OG1 THR A 248 3.132 5.384 8.546 1.00 0.00 O ATOM 398 CG2 THR A 248 4.355 3.396 9.158 1.00 0.00 C ATOM 0 H THR A 248 0.658 3.682 7.623 1.00 0.00 H new ATOM 0 HA THR A 248 3.360 3.814 6.495 1.00 0.00 H new ATOM 0 HB THR A 248 2.244 3.675 9.305 1.00 0.00 H new ATOM 0 HG1 THR A 248 3.354 5.744 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 248 4.566 3.835 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 248 4.273 2.314 9.257 1.00 0.00 H new ATOM 0 HG23 THR A 248 5.164 3.637 8.469 1.00 0.00 H new ATOM 406 N VAL A 249 3.931 1.355 6.716 1.00 0.00 N ATOM 407 CA VAL A 249 4.121 -0.088 6.712 1.00 0.00 C ATOM 408 C VAL A 249 5.583 -0.464 6.924 1.00 0.00 C ATOM 409 O VAL A 249 6.495 0.250 6.507 1.00 0.00 O ATOM 410 CB VAL A 249 3.650 -0.745 5.389 1.00 0.00 C ATOM 411 CG1 VAL A 249 3.010 -2.097 5.655 1.00 0.00 C ATOM 412 CG2 VAL A 249 2.707 0.157 4.607 1.00 0.00 C ATOM 0 H VAL A 249 4.669 1.896 6.265 1.00 0.00 H new ATOM 0 HA VAL A 249 3.513 -0.460 7.537 1.00 0.00 H new ATOM 0 HB VAL A 249 4.535 -0.897 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 249 2.687 -2.539 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 249 3.735 -2.755 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 249 2.148 -1.969 6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 249 2.403 -0.344 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 249 1.826 0.373 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 249 3.216 1.089 4.361 1.00 0.00 H new ATOM 422 N THR A 250 5.795 -1.583 7.591 1.00 0.00 N ATOM 423 CA THR A 250 7.084 -2.234 7.599 1.00 0.00 C ATOM 424 C THR A 250 7.068 -3.332 6.542 1.00 0.00 C ATOM 425 O THR A 250 6.324 -4.310 6.658 1.00 0.00 O ATOM 426 CB THR A 250 7.407 -2.838 8.979 1.00 0.00 C ATOM 427 OG1 THR A 250 7.427 -1.803 9.974 1.00 0.00 O ATOM 428 CG2 THR A 250 8.747 -3.563 8.960 1.00 0.00 C ATOM 0 H THR A 250 5.080 -2.061 8.139 1.00 0.00 H new ATOM 0 HA THR A 250 7.857 -1.497 7.380 1.00 0.00 H new ATOM 0 HB THR A 250 6.630 -3.562 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 250 7.631 -2.194 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 250 8.949 -3.979 9.947 1.00 0.00 H new ATOM 0 HG22 THR A 250 8.715 -4.368 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 250 9.537 -2.861 8.693 1.00 0.00 H new ATOM 436 N LEU A 251 7.856 -3.151 5.503 1.00 0.00 N ATOM 437 CA LEU A 251 7.876 -4.082 4.395 1.00 0.00 C ATOM 438 C LEU A 251 9.112 -4.959 4.523 1.00 0.00 C ATOM 439 O LEU A 251 9.979 -4.697 5.356 1.00 0.00 O ATOM 440 CB LEU A 251 7.865 -3.327 3.044 1.00 0.00 C ATOM 441 CG LEU A 251 6.623 -2.472 2.732 1.00 0.00 C ATOM 442 CD1 LEU A 251 6.593 -1.188 3.553 1.00 0.00 C ATOM 443 CD2 LEU A 251 6.596 -2.126 1.257 1.00 0.00 C ATOM 0 H LEU A 251 8.495 -2.362 5.403 1.00 0.00 H new ATOM 0 HA LEU A 251 6.983 -4.707 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 251 8.740 -2.678 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 251 7.981 -4.060 2.245 1.00 0.00 H new ATOM 0 HG LEU A 251 5.745 -3.061 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.700 -0.616 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 251 6.578 -1.435 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 251 7.479 -0.594 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 251 5.715 -1.521 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 251 7.494 -1.565 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 251 6.559 -3.043 0.669 1.00 0.00 H new ATOM 455 N THR A 252 9.186 -6.006 3.732 1.00 0.00 N ATOM 456 CA THR A 252 10.291 -6.930 3.813 1.00 0.00 C ATOM 457 C THR A 252 10.948 -7.151 2.438 1.00 0.00 C ATOM 458 O THR A 252 10.355 -7.761 1.550 1.00 0.00 O ATOM 459 CB THR A 252 9.794 -8.263 4.396 1.00 0.00 C ATOM 460 OG1 THR A 252 8.390 -8.427 4.111 1.00 0.00 O ATOM 461 CG2 THR A 252 10.028 -8.317 5.905 1.00 0.00 C ATOM 0 H THR A 252 8.490 -6.238 3.023 1.00 0.00 H new ATOM 0 HA THR A 252 11.052 -6.505 4.468 1.00 0.00 H new ATOM 0 HB THR A 252 10.356 -9.074 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 252 8.078 -9.278 4.483 1.00 0.00 H new ATOM 0 HG21 THR A 252 9.668 -9.269 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 252 11.094 -8.219 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 252 9.489 -7.501 6.386 1.00 0.00 H new ATOM 469 N GLY A 253 12.159 -6.620 2.255 1.00 0.00 N ATOM 470 CA GLY A 253 12.888 -6.812 1.017 1.00 0.00 C ATOM 471 C GLY A 253 14.381 -6.863 1.267 1.00 0.00 C ATOM 472 O GLY A 253 14.908 -6.056 2.031 1.00 0.00 O ATOM 0 H GLY A 253 12.647 -6.057 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 253 12.564 -7.737 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 253 12.659 -6.000 0.327 1.00 0.00 H new ATOM 476 N ALA A 254 15.066 -7.806 0.640 1.00 0.00 N ATOM 477 CA ALA A 254 16.470 -8.043 0.942 1.00 0.00 C ATOM 478 C ALA A 254 17.399 -7.584 -0.176 1.00 0.00 C ATOM 479 O ALA A 254 17.655 -8.324 -1.124 1.00 0.00 O ATOM 480 CB ALA A 254 16.691 -9.519 1.224 1.00 0.00 C ATOM 0 H ALA A 254 14.676 -8.417 -0.077 1.00 0.00 H new ATOM 0 HA ALA A 254 16.715 -7.450 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 254 17.743 -9.693 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 254 16.082 -9.822 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 254 16.406 -10.103 0.349 1.00 0.00 H new ATOM 486 N THR A 255 17.898 -6.363 -0.068 1.00 0.00 N ATOM 487 CA THR A 255 18.942 -5.892 -0.965 1.00 0.00 C ATOM 488 C THR A 255 20.129 -5.366 -0.155 1.00 0.00 C ATOM 489 O THR A 255 19.987 -4.430 0.634 1.00 0.00 O ATOM 490 CB THR A 255 18.417 -4.803 -1.919 1.00 0.00 C ATOM 491 OG1 THR A 255 17.166 -5.229 -2.478 1.00 0.00 O ATOM 492 CG2 THR A 255 19.413 -4.545 -3.058 1.00 0.00 C ATOM 0 H THR A 255 17.598 -5.682 0.629 1.00 0.00 H new ATOM 0 HA THR A 255 19.270 -6.734 -1.575 1.00 0.00 H new ATOM 0 HB THR A 255 18.287 -3.880 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 255 16.608 -4.446 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 255 19.019 -3.772 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 255 20.365 -4.216 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 255 19.563 -5.464 -3.625 1.00 0.00 H new ATOM 500 N ALA A 256 21.287 -5.988 -0.338 1.00 0.00 N ATOM 501 CA ALA A 256 22.477 -5.650 0.439 1.00 0.00 C ATOM 502 C ALA A 256 23.080 -4.310 0.020 1.00 0.00 C ATOM 503 O ALA A 256 23.186 -4.013 -1.172 1.00 0.00 O ATOM 504 CB ALA A 256 23.517 -6.754 0.307 1.00 0.00 C ATOM 0 H ALA A 256 21.429 -6.733 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 256 22.170 -5.557 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 256 24.401 -6.493 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 256 23.102 -7.691 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 256 23.794 -6.869 -0.741 1.00 0.00 H new ATOM 510 N SER A 257 23.465 -3.518 1.019 1.00 0.00 N ATOM 511 CA SER A 257 24.164 -2.249 0.810 1.00 0.00 C ATOM 512 C SER A 257 23.341 -1.270 -0.022 1.00 0.00 C ATOM 513 O SER A 257 23.792 -0.779 -1.057 1.00 0.00 O ATOM 514 CB SER A 257 25.527 -2.496 0.151 1.00 0.00 C ATOM 515 OG SER A 257 26.360 -3.276 0.994 1.00 0.00 O ATOM 0 H SER A 257 23.301 -3.739 2.001 1.00 0.00 H new ATOM 0 HA SER A 257 24.315 -1.794 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 257 25.388 -3.005 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 257 26.010 -1.543 -0.064 1.00 0.00 H new ATOM 0 HG SER A 257 27.224 -3.424 0.555 1.00 0.00 H new ATOM 521 N VAL A 258 22.131 -0.993 0.434 1.00 0.00 N ATOM 522 CA VAL A 258 21.289 0.005 -0.203 1.00 0.00 C ATOM 523 C VAL A 258 20.717 0.946 0.848 1.00 0.00 C ATOM 524 O VAL A 258 19.708 0.644 1.500 1.00 0.00 O ATOM 525 CB VAL A 258 20.147 -0.636 -1.027 1.00 0.00 C ATOM 526 CG1 VAL A 258 19.222 0.430 -1.598 1.00 0.00 C ATOM 527 CG2 VAL A 258 20.713 -1.489 -2.148 1.00 0.00 C ATOM 0 H VAL A 258 21.709 -1.446 1.245 1.00 0.00 H new ATOM 0 HA VAL A 258 21.912 0.568 -0.898 1.00 0.00 H new ATOM 0 HB VAL A 258 19.567 -1.272 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 258 18.428 -0.047 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 258 18.784 1.006 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 258 19.791 1.095 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 258 19.895 -1.932 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 258 21.319 -0.868 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 258 21.332 -2.281 -1.726 1.00 0.00 H new ATOM 537 N THR A 259 21.392 2.070 1.035 1.00 0.00 N ATOM 538 CA THR A 259 20.954 3.074 1.987 1.00 0.00 C ATOM 539 C THR A 259 19.746 3.824 1.440 1.00 0.00 C ATOM 540 O THR A 259 19.887 4.749 0.640 1.00 0.00 O ATOM 541 CB THR A 259 22.083 4.073 2.303 1.00 0.00 C ATOM 542 OG1 THR A 259 23.266 3.358 2.686 1.00 0.00 O ATOM 543 CG2 THR A 259 21.675 5.018 3.425 1.00 0.00 C ATOM 0 H THR A 259 22.249 2.309 0.536 1.00 0.00 H new ATOM 0 HA THR A 259 20.679 2.563 2.909 1.00 0.00 H new ATOM 0 HB THR A 259 22.280 4.663 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 259 23.983 3.995 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 259 22.489 5.713 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 259 20.788 5.576 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 259 21.456 4.442 4.324 1.00 0.00 H new ATOM 551 N GLY A 260 18.564 3.407 1.866 1.00 0.00 N ATOM 552 CA GLY A 260 17.340 3.997 1.370 1.00 0.00 C ATOM 553 C GLY A 260 17.045 3.619 -0.070 1.00 0.00 C ATOM 554 O GLY A 260 17.635 4.183 -0.993 1.00 0.00 O ATOM 0 H GLY A 260 18.431 2.664 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 260 16.509 3.682 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 260 17.407 5.082 1.449 1.00 0.00 H new ATOM 558 N PHE A 261 16.160 2.643 -0.261 1.00 0.00 N ATOM 559 CA PHE A 261 15.643 2.324 -1.593 1.00 0.00 C ATOM 560 C PHE A 261 15.200 3.597 -2.309 1.00 0.00 C ATOM 561 O PHE A 261 15.707 3.940 -3.377 1.00 0.00 O ATOM 562 CB PHE A 261 14.414 1.394 -1.516 1.00 0.00 C ATOM 563 CG PHE A 261 14.714 -0.077 -1.466 1.00 0.00 C ATOM 564 CD1 PHE A 261 15.426 -0.689 -2.486 1.00 0.00 C ATOM 565 CD2 PHE A 261 14.244 -0.854 -0.422 1.00 0.00 C ATOM 566 CE1 PHE A 261 15.667 -2.050 -2.461 1.00 0.00 C ATOM 567 CE2 PHE A 261 14.485 -2.213 -0.389 1.00 0.00 C ATOM 568 CZ PHE A 261 15.196 -2.813 -1.410 1.00 0.00 C ATOM 0 H PHE A 261 15.786 2.059 0.487 1.00 0.00 H new ATOM 0 HA PHE A 261 16.450 1.829 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 261 13.836 1.659 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 261 13.780 1.588 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 261 15.796 -0.096 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 261 13.682 -0.392 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 261 16.222 -2.516 -3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 261 14.118 -2.807 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 261 15.383 -3.876 -1.387 1.00 0.00 H new ATOM 578 N LEU A 262 14.255 4.291 -1.689 1.00 0.00 N ATOM 579 CA LEU A 262 13.615 5.456 -2.280 1.00 0.00 C ATOM 580 C LEU A 262 13.335 6.489 -1.195 1.00 0.00 C ATOM 581 O LEU A 262 13.543 6.214 -0.009 1.00 0.00 O ATOM 582 CB LEU A 262 12.300 5.041 -2.947 1.00 0.00 C ATOM 583 CG LEU A 262 12.423 3.993 -4.058 1.00 0.00 C ATOM 584 CD1 LEU A 262 11.049 3.477 -4.455 1.00 0.00 C ATOM 585 CD2 LEU A 262 13.137 4.572 -5.270 1.00 0.00 C ATOM 0 H LEU A 262 13.910 4.060 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 262 14.277 5.889 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.630 4.653 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 262 11.827 5.931 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 262 13.014 3.160 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 262 11.154 2.733 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.567 3.022 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 262 10.439 4.306 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 262 13.213 3.810 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 262 12.574 5.424 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 262 14.137 4.898 -4.982 1.00 0.00 H new ATOM 597 N LYS A 263 12.871 7.670 -1.596 1.00 0.00 N ATOM 598 CA LYS A 263 12.567 8.734 -0.649 1.00 0.00 C ATOM 599 C LYS A 263 11.178 9.320 -0.904 1.00 0.00 C ATOM 600 O LYS A 263 10.396 8.775 -1.688 1.00 0.00 O ATOM 601 CB LYS A 263 13.613 9.846 -0.741 1.00 0.00 C ATOM 602 CG LYS A 263 15.031 9.373 -0.489 1.00 0.00 C ATOM 603 CD LYS A 263 16.026 10.515 -0.640 1.00 0.00 C ATOM 604 CE LYS A 263 17.465 10.031 -0.542 1.00 0.00 C ATOM 605 NZ LYS A 263 17.838 9.640 0.844 1.00 0.00 N1+ ATOM 0 H LYS A 263 12.698 7.912 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 263 12.585 8.301 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 263 13.562 10.300 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 263 13.366 10.625 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 263 15.104 8.953 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 263 15.281 8.575 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 263 15.873 11.005 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 263 15.841 11.262 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 263 17.605 9.179 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 263 18.135 10.819 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 18.761 9.162 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 17.895 10.490 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 17.119 8.995 1.228 1.00 0.00 H new ATOM 619 N ALA A 264 10.885 10.431 -0.236 1.00 0.00 N ATOM 620 CA ALA A 264 9.605 11.107 -0.369 1.00 0.00 C ATOM 621 C ALA A 264 9.329 11.503 -1.812 1.00 0.00 C ATOM 622 O ALA A 264 10.026 12.337 -2.390 1.00 0.00 O ATOM 623 CB ALA A 264 9.567 12.340 0.519 1.00 0.00 C ATOM 0 H ALA A 264 11.529 10.885 0.411 1.00 0.00 H new ATOM 0 HA ALA A 264 8.829 10.409 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 264 8.603 12.837 0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 264 9.707 12.044 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 264 10.363 13.024 0.226 1.00 0.00 H new ATOM 629 N GLY A 265 8.315 10.888 -2.386 1.00 0.00 N ATOM 630 CA GLY A 265 7.883 11.265 -3.713 1.00 0.00 C ATOM 631 C GLY A 265 8.165 10.199 -4.747 1.00 0.00 C ATOM 632 O GLY A 265 7.830 10.367 -5.919 1.00 0.00 O ATOM 0 H GLY A 265 7.780 10.132 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 265 6.813 11.474 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 265 8.384 12.188 -4.004 1.00 0.00 H new ATOM 636 N ASP A 266 8.783 9.105 -4.322 1.00 0.00 N ATOM 637 CA ASP A 266 9.071 7.994 -5.226 1.00 0.00 C ATOM 638 C ASP A 266 7.895 7.033 -5.282 1.00 0.00 C ATOM 639 O ASP A 266 7.205 6.834 -4.285 1.00 0.00 O ATOM 640 CB ASP A 266 10.328 7.242 -4.787 1.00 0.00 C ATOM 641 CG ASP A 266 11.608 7.950 -5.176 1.00 0.00 C ATOM 642 OD1 ASP A 266 12.324 8.440 -4.274 1.00 0.00 O ATOM 643 OD2 ASP A 266 11.914 8.007 -6.387 1.00 0.00 O1- ATOM 0 H ASP A 266 9.094 8.961 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 266 9.241 8.410 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 266 10.307 7.111 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 266 10.322 6.246 -5.229 1.00 0.00 H new ATOM 648 N GLN A 267 7.657 6.444 -6.446 1.00 0.00 N ATOM 649 CA GLN A 267 6.519 5.548 -6.619 1.00 0.00 C ATOM 650 C GLN A 267 6.958 4.092 -6.588 1.00 0.00 C ATOM 651 O GLN A 267 8.064 3.744 -7.007 1.00 0.00 O ATOM 652 CB GLN A 267 5.769 5.812 -7.932 1.00 0.00 C ATOM 653 CG GLN A 267 4.862 7.036 -7.942 1.00 0.00 C ATOM 654 CD GLN A 267 5.556 8.302 -7.505 1.00 0.00 C ATOM 655 OE1 GLN A 267 6.167 9.007 -8.309 1.00 0.00 O ATOM 656 NE2 GLN A 267 5.440 8.605 -6.226 1.00 0.00 N ATOM 0 H GLN A 267 8.231 6.568 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 267 5.845 5.747 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 267 6.502 5.919 -8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 267 5.167 4.935 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 267 4.466 7.177 -8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 267 4.010 6.853 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 267 4.923 7.987 -5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 267 5.867 9.457 -5.863 1.00 0.00 H new ATOM 665 N VAL A 268 6.067 3.248 -6.111 1.00 0.00 N ATOM 666 CA VAL A 268 6.302 1.818 -6.040 1.00 0.00 C ATOM 667 C VAL A 268 5.099 1.076 -6.603 1.00 0.00 C ATOM 668 O VAL A 268 4.085 1.682 -6.942 1.00 0.00 O ATOM 669 CB VAL A 268 6.541 1.334 -4.582 1.00 0.00 C ATOM 670 CG1 VAL A 268 8.020 1.381 -4.230 1.00 0.00 C ATOM 671 CG2 VAL A 268 5.754 2.190 -3.595 1.00 0.00 C ATOM 0 H VAL A 268 5.154 3.535 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 268 7.199 1.609 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 268 6.195 0.302 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 268 8.161 1.038 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 268 8.576 0.735 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 268 8.384 2.404 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 268 5.935 1.835 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 268 6.074 3.229 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 268 4.690 2.119 -3.820 1.00 0.00 H new ATOM 681 N LYS A 269 5.225 -0.224 -6.706 1.00 0.00 N ATOM 682 CA LYS A 269 4.120 -1.090 -7.070 1.00 0.00 C ATOM 683 C LYS A 269 3.734 -1.908 -5.841 1.00 0.00 C ATOM 684 O LYS A 269 4.614 -2.408 -5.144 1.00 0.00 O ATOM 685 CB LYS A 269 4.525 -2.041 -8.205 1.00 0.00 C ATOM 686 CG LYS A 269 4.284 -1.520 -9.618 1.00 0.00 C ATOM 687 CD LYS A 269 5.270 -0.440 -10.022 1.00 0.00 C ATOM 688 CE LYS A 269 5.148 -0.113 -11.504 1.00 0.00 C ATOM 689 NZ LYS A 269 3.820 0.461 -11.854 1.00 0.00 N1+ ATOM 0 H LYS A 269 6.101 -0.719 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 269 3.282 -0.484 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 269 5.584 -2.275 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 269 3.979 -2.976 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 269 4.351 -2.349 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 269 3.271 -1.125 -9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 269 5.091 0.459 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 269 6.285 -0.769 -9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 269 5.930 0.593 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 269 5.314 -1.019 -12.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 3.794 0.682 -12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 3.074 -0.228 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 3.663 1.331 -11.307 1.00 0.00 H new ATOM 703 N PHE A 270 2.450 -2.047 -5.553 1.00 0.00 N ATOM 704 CA PHE A 270 2.044 -2.845 -4.396 1.00 0.00 C ATOM 705 C PHE A 270 0.769 -3.626 -4.704 1.00 0.00 C ATOM 706 O PHE A 270 -0.322 -3.071 -4.803 1.00 0.00 O ATOM 707 CB PHE A 270 1.910 -1.973 -3.123 1.00 0.00 C ATOM 708 CG PHE A 270 0.623 -1.196 -2.969 1.00 0.00 C ATOM 709 CD1 PHE A 270 -0.126 -1.317 -1.809 1.00 0.00 C ATOM 710 CD2 PHE A 270 0.164 -0.353 -3.968 1.00 0.00 C ATOM 711 CE1 PHE A 270 -1.306 -0.615 -1.649 1.00 0.00 C ATOM 712 CE2 PHE A 270 -1.016 0.349 -3.813 1.00 0.00 C ATOM 713 CZ PHE A 270 -1.750 0.221 -2.653 1.00 0.00 C ATOM 0 H PHE A 270 1.685 -1.632 -6.085 1.00 0.00 H new ATOM 0 HA PHE A 270 2.829 -3.572 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 270 2.024 -2.620 -2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 270 2.739 -1.266 -3.105 1.00 0.00 H new ATOM 0 HD1 PHE A 270 0.217 -1.969 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 270 0.735 -0.243 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 270 -1.879 -0.721 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 270 -1.364 0.999 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 270 -2.670 0.773 -2.530 1.00 0.00 H new ATOM 723 N THR A 271 0.921 -4.922 -4.904 1.00 0.00 N ATOM 724 CA THR A 271 -0.199 -5.757 -5.285 1.00 0.00 C ATOM 725 C THR A 271 -0.984 -6.098 -4.026 1.00 0.00 C ATOM 726 O THR A 271 -0.772 -7.142 -3.411 1.00 0.00 O ATOM 727 CB THR A 271 0.311 -7.063 -5.949 1.00 0.00 C ATOM 728 OG1 THR A 271 1.207 -6.746 -7.022 1.00 0.00 O ATOM 729 CG2 THR A 271 -0.831 -7.943 -6.482 1.00 0.00 C ATOM 0 H THR A 271 1.808 -5.417 -4.809 1.00 0.00 H new ATOM 0 HA THR A 271 -0.832 -5.229 -5.999 1.00 0.00 H new ATOM 0 HB THR A 271 0.828 -7.631 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 271 0.696 -6.404 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 271 -0.416 -8.843 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 271 -1.489 -8.222 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 271 -1.399 -7.389 -7.229 1.00 0.00 H new ATOM 737 N ASN A 272 -1.893 -5.212 -3.668 1.00 0.00 N ATOM 738 CA ASN A 272 -2.580 -5.277 -2.383 1.00 0.00 C ATOM 739 C ASN A 272 -4.033 -5.685 -2.591 1.00 0.00 C ATOM 740 O ASN A 272 -4.916 -4.843 -2.728 1.00 0.00 O ATOM 741 CB ASN A 272 -2.483 -3.901 -1.717 1.00 0.00 C ATOM 742 CG ASN A 272 -2.886 -3.897 -0.258 1.00 0.00 C ATOM 743 OD1 ASN A 272 -4.042 -3.639 0.080 1.00 0.00 O ATOM 744 ND2 ASN A 272 -1.930 -4.170 0.617 1.00 0.00 N ATOM 0 H ASN A 272 -2.179 -4.428 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 272 -2.116 -6.024 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 272 -1.459 -3.538 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 272 -3.116 -3.199 -2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 272 -2.138 -4.172 1.616 1.00 0.00 H new ATOM 0 HD22 ASN A 272 -0.986 -4.378 0.292 1.00 0.00 H new ATOM 1061 N SER A 292 -4.875 -2.609 -8.257 1.00 0.00 N ATOM 1062 CA SER A 292 -3.636 -3.313 -8.573 1.00 0.00 C ATOM 1063 C SER A 292 -2.476 -2.714 -7.779 1.00 0.00 C ATOM 1064 O SER A 292 -2.671 -2.224 -6.666 1.00 0.00 O ATOM 1065 CB SER A 292 -3.325 -3.278 -10.071 1.00 0.00 C ATOM 1066 OG SER A 292 -4.390 -2.718 -10.824 1.00 0.00 O ATOM 0 HA SER A 292 -3.768 -4.357 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 292 -2.418 -2.697 -10.239 1.00 0.00 H new ATOM 0 HB3 SER A 292 -3.125 -4.290 -10.423 1.00 0.00 H new ATOM 0 HG SER A 292 -5.099 -2.420 -10.216 1.00 0.00 H new ATOM 1072 N PHE A 293 -1.281 -2.730 -8.360 1.00 0.00 N ATOM 1073 CA PHE A 293 -0.069 -2.461 -7.618 1.00 0.00 C ATOM 1074 C PHE A 293 0.578 -1.123 -7.978 1.00 0.00 C ATOM 1075 O PHE A 293 1.471 -1.073 -8.800 1.00 0.00 O ATOM 1076 CB PHE A 293 0.925 -3.609 -7.869 1.00 0.00 C ATOM 1077 CG PHE A 293 0.876 -4.196 -9.260 1.00 0.00 C ATOM 1078 CD1 PHE A 293 0.003 -5.232 -9.560 1.00 0.00 C ATOM 1079 CD2 PHE A 293 1.708 -3.722 -10.260 1.00 0.00 C ATOM 1080 CE1 PHE A 293 -0.040 -5.777 -10.828 1.00 0.00 C ATOM 1081 CE2 PHE A 293 1.669 -4.263 -11.530 1.00 0.00 C ATOM 1082 CZ PHE A 293 0.794 -5.293 -11.814 1.00 0.00 C ATOM 0 H PHE A 293 -1.133 -2.929 -9.349 1.00 0.00 H new ATOM 0 HA PHE A 293 -0.336 -2.395 -6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 293 1.935 -3.245 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 293 0.731 -4.403 -7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 293 -0.651 -5.617 -8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 293 2.397 -2.919 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 293 -0.726 -6.582 -11.047 1.00 0.00 H new ATOM 0 HE2 PHE A 293 2.322 -3.881 -12.300 1.00 0.00 H new ATOM 0 HZ PHE A 293 0.763 -5.719 -12.806 1.00 0.00 H new ATOM 1092 N THR A 294 0.179 -0.049 -7.303 1.00 0.00 N ATOM 1093 CA THR A 294 0.816 1.256 -7.503 1.00 0.00 C ATOM 1094 C THR A 294 0.727 2.110 -6.234 1.00 0.00 C ATOM 1095 O THR A 294 -0.361 2.530 -5.839 1.00 0.00 O ATOM 1096 CB THR A 294 0.169 2.029 -8.679 1.00 0.00 C ATOM 1097 OG1 THR A 294 0.291 1.274 -9.890 1.00 0.00 O ATOM 1098 CG2 THR A 294 0.802 3.411 -8.873 1.00 0.00 C ATOM 0 H THR A 294 -0.576 -0.052 -6.617 1.00 0.00 H new ATOM 0 HA THR A 294 1.863 1.065 -7.739 1.00 0.00 H new ATOM 0 HB THR A 294 -0.884 2.172 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 294 -0.122 1.770 -10.628 1.00 0.00 H new ATOM 0 HG21 THR A 294 0.319 3.919 -9.708 1.00 0.00 H new ATOM 0 HG22 THR A 294 0.673 4.001 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 294 1.865 3.298 -9.084 1.00 0.00 H new ATOM 1106 N ALA A 295 1.868 2.359 -5.597 1.00 0.00 N ATOM 1107 CA ALA A 295 1.899 3.125 -4.357 1.00 0.00 C ATOM 1108 C ALA A 295 2.958 4.217 -4.411 1.00 0.00 C ATOM 1109 O ALA A 295 3.621 4.396 -5.433 1.00 0.00 O ATOM 1110 CB ALA A 295 2.183 2.199 -3.200 1.00 0.00 C ATOM 0 H ALA A 295 2.782 2.041 -5.920 1.00 0.00 H new ATOM 0 HA ALA A 295 0.927 3.600 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 295 2.206 2.772 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 295 1.401 1.442 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 295 3.147 1.713 -3.351 1.00 0.00 H new ATOM 1116 N THR A 296 3.123 4.948 -3.311 1.00 0.00 N ATOM 1117 CA THR A 296 4.118 6.000 -3.257 1.00 0.00 C ATOM 1118 C THR A 296 4.793 6.115 -1.893 1.00 0.00 C ATOM 1119 O THR A 296 4.143 6.153 -0.846 1.00 0.00 O ATOM 1120 CB THR A 296 3.495 7.345 -3.685 1.00 0.00 C ATOM 1121 OG1 THR A 296 3.301 7.347 -5.103 1.00 0.00 O ATOM 1122 CG2 THR A 296 4.346 8.551 -3.267 1.00 0.00 C ATOM 0 H THR A 296 2.582 4.828 -2.455 1.00 0.00 H new ATOM 0 HA THR A 296 4.906 5.731 -3.961 1.00 0.00 H new ATOM 0 HB THR A 296 2.538 7.443 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 296 2.904 8.200 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 296 3.860 9.470 -3.594 1.00 0.00 H new ATOM 0 HG22 THR A 296 4.452 8.563 -2.182 1.00 0.00 H new ATOM 0 HG23 THR A 296 5.331 8.478 -3.727 1.00 0.00 H new ATOM 1130 N VAL A 297 6.118 6.175 -1.960 1.00 0.00 N ATOM 1131 CA VAL A 297 7.001 6.246 -0.807 1.00 0.00 C ATOM 1132 C VAL A 297 7.012 7.654 -0.206 1.00 0.00 C ATOM 1133 O VAL A 297 6.984 8.651 -0.935 1.00 0.00 O ATOM 1134 CB VAL A 297 8.431 5.848 -1.243 1.00 0.00 C ATOM 1135 CG1 VAL A 297 9.449 6.101 -0.149 1.00 0.00 C ATOM 1136 CG2 VAL A 297 8.466 4.392 -1.677 1.00 0.00 C ATOM 0 H VAL A 297 6.621 6.175 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 297 6.638 5.559 -0.043 1.00 0.00 H new ATOM 0 HB VAL A 297 8.702 6.478 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 297 10.439 5.807 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 297 9.454 7.161 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 297 9.188 5.517 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 297 9.479 4.127 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 297 8.159 3.757 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 297 7.786 4.246 -2.516 1.00 0.00 H new ATOM 1146 N THR A 298 7.057 7.735 1.118 1.00 0.00 N ATOM 1147 CA THR A 298 6.985 9.022 1.797 1.00 0.00 C ATOM 1148 C THR A 298 8.320 9.399 2.449 1.00 0.00 C ATOM 1149 O THR A 298 8.530 10.553 2.815 1.00 0.00 O ATOM 1150 CB THR A 298 5.868 9.019 2.865 1.00 0.00 C ATOM 1151 OG1 THR A 298 4.661 8.491 2.297 1.00 0.00 O ATOM 1152 CG2 THR A 298 5.598 10.421 3.397 1.00 0.00 C ATOM 0 H THR A 298 7.142 6.930 1.739 1.00 0.00 H new ATOM 0 HA THR A 298 6.754 9.769 1.037 1.00 0.00 H new ATOM 0 HB THR A 298 6.201 8.396 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 298 4.746 7.520 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 298 4.807 10.380 4.146 1.00 0.00 H new ATOM 0 HG22 THR A 298 6.506 10.819 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 298 5.288 11.068 2.577 1.00 0.00 H new ATOM 1160 N ALA A 299 9.230 8.442 2.574 1.00 0.00 N ATOM 1161 CA ALA A 299 10.507 8.702 3.230 1.00 0.00 C ATOM 1162 C ALA A 299 11.533 7.639 2.879 1.00 0.00 C ATOM 1163 O ALA A 299 11.265 6.761 2.069 1.00 0.00 O ATOM 1164 CB ALA A 299 10.323 8.779 4.739 1.00 0.00 C ATOM 0 H ALA A 299 9.111 7.488 2.234 1.00 0.00 H new ATOM 0 HA ALA A 299 10.878 9.661 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 299 11.285 8.973 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 299 9.630 9.585 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 299 9.922 7.834 5.105 1.00 0.00 H new ATOM 1170 N ASP A 300 12.704 7.734 3.497 1.00 0.00 N ATOM 1171 CA ASP A 300 13.788 6.794 3.253 1.00 0.00 C ATOM 1172 C ASP A 300 13.362 5.374 3.581 1.00 0.00 C ATOM 1173 O ASP A 300 13.099 5.037 4.736 1.00 0.00 O ATOM 1174 CB ASP A 300 15.023 7.167 4.073 1.00 0.00 C ATOM 1175 CG ASP A 300 15.725 8.400 3.547 1.00 0.00 C ATOM 1176 OD1 ASP A 300 15.482 9.507 4.079 1.00 0.00 O ATOM 1177 OD2 ASP A 300 16.538 8.269 2.613 1.00 0.00 O1- ATOM 0 H ASP A 300 12.927 8.461 4.177 1.00 0.00 H new ATOM 0 HA ASP A 300 14.038 6.846 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 300 14.728 7.336 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 300 15.720 6.329 4.073 1.00 0.00 H new ATOM 1182 N ALA A 301 13.296 4.551 2.555 1.00 0.00 N ATOM 1183 CA ALA A 301 12.896 3.155 2.724 1.00 0.00 C ATOM 1184 C ALA A 301 14.127 2.260 2.872 1.00 0.00 C ATOM 1185 O ALA A 301 14.795 1.935 1.894 1.00 0.00 O ATOM 1186 CB ALA A 301 11.991 2.683 1.577 1.00 0.00 C ATOM 0 H ALA A 301 13.512 4.817 1.594 1.00 0.00 H new ATOM 0 HA ALA A 301 12.311 3.081 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 301 11.714 1.641 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 301 11.091 3.297 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 301 12.525 2.775 0.631 1.00 0.00 H new ATOM 1192 N ASN A 302 14.417 1.882 4.114 1.00 0.00 N ATOM 1193 CA ASN A 302 15.631 1.129 4.456 1.00 0.00 C ATOM 1194 C ASN A 302 15.730 -0.201 3.710 1.00 0.00 C ATOM 1195 O ASN A 302 14.801 -0.995 3.742 1.00 0.00 O ATOM 1196 CB ASN A 302 15.659 0.839 5.960 1.00 0.00 C ATOM 1197 CG ASN A 302 15.947 2.069 6.802 1.00 0.00 C ATOM 1198 OD1 ASN A 302 15.621 3.193 6.420 1.00 0.00 O ATOM 1199 ND2 ASN A 302 16.560 1.864 7.957 1.00 0.00 N ATOM 0 H ASN A 302 13.820 2.087 4.915 1.00 0.00 H new ATOM 0 HA ASN A 302 16.476 1.751 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 302 14.699 0.418 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 302 16.417 0.082 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 302 16.778 2.653 8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 302 16.814 0.917 8.239 1.00 0.00 H new ATOM 1206 N SER A 303 16.853 -0.445 3.039 1.00 0.00 N ATOM 1207 CA SER A 303 17.111 -1.738 2.436 1.00 0.00 C ATOM 1208 C SER A 303 18.303 -2.427 3.093 1.00 0.00 C ATOM 1209 O SER A 303 19.440 -1.960 2.984 1.00 0.00 O ATOM 1210 CB SER A 303 17.378 -1.568 0.944 1.00 0.00 C ATOM 1211 OG SER A 303 17.752 -2.795 0.341 1.00 0.00 O ATOM 0 H SER A 303 17.596 0.240 2.902 1.00 0.00 H new ATOM 0 HA SER A 303 16.230 -2.362 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 303 16.485 -1.178 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 303 18.169 -0.833 0.796 1.00 0.00 H new ATOM 0 HG SER A 303 17.008 -3.135 -0.199 1.00 0.00 H new ATOM 1217 N ASP A 304 18.043 -3.530 3.778 1.00 0.00 N ATOM 1218 CA ASP A 304 19.110 -4.381 4.278 1.00 0.00 C ATOM 1219 C ASP A 304 18.856 -5.808 3.813 1.00 0.00 C ATOM 1220 O ASP A 304 17.709 -6.202 3.580 1.00 0.00 O ATOM 1221 CB ASP A 304 19.211 -4.315 5.808 1.00 0.00 C ATOM 1222 CG ASP A 304 18.131 -5.101 6.522 1.00 0.00 C ATOM 1223 OD1 ASP A 304 18.372 -6.282 6.847 1.00 0.00 O ATOM 1224 OD2 ASP A 304 17.051 -4.539 6.785 1.00 0.00 O1- ATOM 0 H ASP A 304 17.102 -3.856 4.000 1.00 0.00 H new ATOM 0 HA ASP A 304 20.062 -4.029 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 304 20.186 -4.692 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 304 19.158 -3.273 6.123 1.00 0.00 H new ATOM 1229 N SER A 305 19.924 -6.578 3.664 1.00 0.00 N ATOM 1230 CA SER A 305 19.831 -7.909 3.081 1.00 0.00 C ATOM 1231 C SER A 305 19.220 -8.907 4.052 1.00 0.00 C ATOM 1232 O SER A 305 18.991 -10.061 3.696 1.00 0.00 O ATOM 1233 CB SER A 305 21.204 -8.393 2.650 1.00 0.00 C ATOM 1234 OG SER A 305 21.115 -9.557 1.844 1.00 0.00 O ATOM 0 H SER A 305 20.867 -6.303 3.939 1.00 0.00 H new ATOM 0 HA SER A 305 19.178 -7.839 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 305 21.712 -7.604 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 305 21.810 -8.605 3.531 1.00 0.00 H new ATOM 0 HG SER A 305 20.378 -10.120 2.162 1.00 0.00 H new ATOM 1240 N GLY A 306 18.955 -8.461 5.272 1.00 0.00 N ATOM 1241 CA GLY A 306 18.227 -9.285 6.212 1.00 0.00 C ATOM 1242 C GLY A 306 16.795 -9.444 5.760 1.00 0.00 C ATOM 1243 O GLY A 306 16.048 -10.276 6.278 1.00 0.00 O ATOM 0 H GLY A 306 19.231 -7.545 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 306 18.702 -10.263 6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 306 18.256 -8.832 7.203 1.00 0.00 H new ATOM 1247 N GLY A 307 16.425 -8.640 4.773 1.00 0.00 N ATOM 1248 CA GLY A 307 15.110 -8.738 4.180 1.00 0.00 C ATOM 1249 C GLY A 307 14.095 -7.822 4.819 1.00 0.00 C ATOM 1250 O GLY A 307 12.936 -8.196 4.961 1.00 0.00 O ATOM 0 H GLY A 307 17.020 -7.916 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 307 15.180 -8.505 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 307 14.760 -9.767 4.258 1.00 0.00 H new ATOM 1254 N ASP A 308 14.515 -6.628 5.204 1.00 0.00 N ATOM 1255 CA ASP A 308 13.600 -5.662 5.802 1.00 0.00 C ATOM 1256 C ASP A 308 13.636 -4.326 5.060 1.00 0.00 C ATOM 1257 O ASP A 308 14.692 -3.886 4.603 1.00 0.00 O ATOM 1258 CB ASP A 308 13.920 -5.448 7.282 1.00 0.00 C ATOM 1259 CG ASP A 308 13.524 -6.629 8.149 1.00 0.00 C ATOM 1260 OD1 ASP A 308 12.354 -6.699 8.573 1.00 0.00 O ATOM 1261 OD2 ASP A 308 14.387 -7.488 8.433 1.00 0.00 O1- ATOM 0 H ASP A 308 15.478 -6.303 5.115 1.00 0.00 H new ATOM 0 HA ASP A 308 12.594 -6.073 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 308 14.988 -5.263 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 308 13.403 -4.555 7.635 1.00 0.00 H new ATOM 1266 N VAL A 309 12.469 -3.706 4.925 1.00 0.00 N ATOM 1267 CA VAL A 309 12.341 -2.373 4.338 1.00 0.00 C ATOM 1268 C VAL A 309 11.116 -1.639 4.894 1.00 0.00 C ATOM 1269 O VAL A 309 9.992 -1.876 4.475 1.00 0.00 O ATOM 1270 CB VAL A 309 12.249 -2.435 2.785 1.00 0.00 C ATOM 1271 CG1 VAL A 309 11.307 -3.534 2.328 1.00 0.00 C ATOM 1272 CG2 VAL A 309 11.824 -1.096 2.181 1.00 0.00 C ATOM 0 H VAL A 309 11.581 -4.113 5.220 1.00 0.00 H new ATOM 0 HA VAL A 309 13.241 -1.821 4.610 1.00 0.00 H new ATOM 0 HB VAL A 309 13.252 -2.664 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 309 11.267 -3.549 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 309 11.667 -4.496 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 309 10.309 -3.347 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 309 11.773 -1.186 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 309 10.844 -0.817 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 309 12.551 -0.329 2.448 1.00 0.00 H new ATOM 1282 N THR A 310 11.324 -0.748 5.840 1.00 0.00 N ATOM 1283 CA THR A 310 10.213 0.007 6.400 1.00 0.00 C ATOM 1284 C THR A 310 10.034 1.335 5.666 1.00 0.00 C ATOM 1285 O THR A 310 10.996 2.083 5.475 1.00 0.00 O ATOM 1286 CB THR A 310 10.426 0.269 7.916 1.00 0.00 C ATOM 1287 OG1 THR A 310 10.441 -0.977 8.626 1.00 0.00 O ATOM 1288 CG2 THR A 310 9.351 1.190 8.517 1.00 0.00 C ATOM 0 H THR A 310 12.238 -0.527 6.236 1.00 0.00 H new ATOM 0 HA THR A 310 9.311 -0.591 6.272 1.00 0.00 H new ATOM 0 HB THR A 310 11.384 0.778 8.021 1.00 0.00 H new ATOM 0 HG1 THR A 310 9.842 -0.920 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 310 9.551 1.338 9.578 1.00 0.00 H new ATOM 0 HG22 THR A 310 9.370 2.153 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 310 8.369 0.733 8.393 1.00 0.00 H new ATOM 1296 N VAL A 311 8.803 1.612 5.248 1.00 0.00 N ATOM 1297 CA VAL A 311 8.485 2.866 4.560 1.00 0.00 C ATOM 1298 C VAL A 311 6.996 3.189 4.679 1.00 0.00 C ATOM 1299 O VAL A 311 6.151 2.295 4.645 1.00 0.00 O ATOM 1300 CB VAL A 311 8.893 2.816 3.063 1.00 0.00 C ATOM 1301 CG1 VAL A 311 8.444 1.499 2.418 1.00 0.00 C ATOM 1302 CG2 VAL A 311 8.299 3.992 2.294 1.00 0.00 C ATOM 0 H VAL A 311 8.007 0.987 5.372 1.00 0.00 H new ATOM 0 HA VAL A 311 9.061 3.654 5.045 1.00 0.00 H new ATOM 0 HB VAL A 311 9.980 2.880 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 311 8.741 1.488 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 311 8.911 0.662 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 311 7.360 1.410 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 311 8.601 3.932 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 311 7.212 3.958 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 311 8.660 4.927 2.723 1.00 0.00 H new ATOM 1312 N THR A 312 6.682 4.465 4.845 1.00 0.00 N ATOM 1313 CA THR A 312 5.305 4.908 4.882 1.00 0.00 C ATOM 1314 C THR A 312 4.862 5.365 3.492 1.00 0.00 C ATOM 1315 O THR A 312 5.661 5.883 2.708 1.00 0.00 O ATOM 1316 CB THR A 312 5.134 6.060 5.903 1.00 0.00 C ATOM 1317 OG1 THR A 312 5.385 5.569 7.222 1.00 0.00 O ATOM 1318 CG2 THR A 312 3.739 6.718 5.843 1.00 0.00 C ATOM 0 H THR A 312 7.368 5.211 4.956 1.00 0.00 H new ATOM 0 HA THR A 312 4.679 4.072 5.195 1.00 0.00 H new ATOM 0 HB THR A 312 5.856 6.833 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 312 4.617 5.768 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 312 3.682 7.517 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 312 3.574 7.131 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 312 2.975 5.971 6.057 1.00 0.00 H new ATOM 1326 N LEU A 313 3.591 5.164 3.198 1.00 0.00 N ATOM 1327 CA LEU A 313 3.045 5.424 1.882 1.00 0.00 C ATOM 1328 C LEU A 313 1.765 6.242 1.982 1.00 0.00 C ATOM 1329 O LEU A 313 1.249 6.468 3.077 1.00 0.00 O ATOM 1330 CB LEU A 313 2.762 4.096 1.184 1.00 0.00 C ATOM 1331 CG LEU A 313 3.980 3.189 1.004 1.00 0.00 C ATOM 1332 CD1 LEU A 313 4.151 2.254 2.188 1.00 0.00 C ATOM 1333 CD2 LEU A 313 3.887 2.396 -0.285 1.00 0.00 C ATOM 0 H LEU A 313 2.907 4.814 3.869 1.00 0.00 H new ATOM 0 HA LEU A 313 3.771 5.996 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 313 2.007 3.556 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 313 2.333 4.302 0.203 1.00 0.00 H new ATOM 0 HG LEU A 313 4.858 3.832 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 313 5.025 1.622 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 313 4.286 2.839 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 313 3.264 1.628 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 313 4.767 1.760 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.991 1.775 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 313 3.836 3.081 -1.131 1.00 0.00 H new ATOM 1345 N SER A 314 1.269 6.706 0.846 1.00 0.00 N ATOM 1346 CA SER A 314 0.017 7.445 0.810 1.00 0.00 C ATOM 1347 C SER A 314 -0.894 6.928 -0.302 1.00 0.00 C ATOM 1348 O SER A 314 -0.428 6.295 -1.250 1.00 0.00 O ATOM 1349 CB SER A 314 0.301 8.936 0.606 1.00 0.00 C ATOM 1350 OG SER A 314 1.145 9.144 -0.514 1.00 0.00 O ATOM 0 H SER A 314 1.714 6.584 -0.064 1.00 0.00 H new ATOM 0 HA SER A 314 -0.495 7.301 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 314 -0.637 9.472 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 314 0.770 9.346 1.500 1.00 0.00 H new ATOM 0 HG SER A 314 1.311 10.103 -0.625 1.00 0.00 H new ATOM 1632 N VAL A 333 -6.203 -4.303 9.485 1.00 0.00 N ATOM 1633 CA VAL A 333 -5.891 -4.470 8.068 1.00 0.00 C ATOM 1634 C VAL A 333 -5.136 -5.786 7.876 1.00 0.00 C ATOM 1635 O VAL A 333 -4.718 -6.403 8.853 1.00 0.00 O ATOM 1636 CB VAL A 333 -5.043 -3.286 7.536 1.00 0.00 C ATOM 1637 CG1 VAL A 333 -5.098 -3.203 6.021 1.00 0.00 C ATOM 1638 CG2 VAL A 333 -5.500 -1.975 8.155 1.00 0.00 C ATOM 0 HA VAL A 333 -6.823 -4.490 7.503 1.00 0.00 H new ATOM 0 HB VAL A 333 -4.008 -3.466 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -4.493 -2.363 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -4.710 -4.127 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -6.130 -3.060 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -4.891 -1.158 7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -6.546 -1.799 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -5.391 -2.027 9.238 1.00 0.00 H new ATOM 1648 N GLU A 334 -4.962 -6.221 6.636 1.00 0.00 N ATOM 1649 CA GLU A 334 -4.366 -7.523 6.365 1.00 0.00 C ATOM 1650 C GLU A 334 -3.026 -7.376 5.642 1.00 0.00 C ATOM 1651 O GLU A 334 -2.901 -6.589 4.709 1.00 0.00 O ATOM 1652 CB GLU A 334 -5.333 -8.365 5.531 1.00 0.00 C ATOM 1653 CG GLU A 334 -4.915 -9.818 5.381 1.00 0.00 C ATOM 1654 CD GLU A 334 -5.942 -10.640 4.630 1.00 0.00 C ATOM 1655 OE1 GLU A 334 -6.933 -11.074 5.253 1.00 0.00 O ATOM 1656 OE2 GLU A 334 -5.766 -10.854 3.412 1.00 0.00 O1- ATOM 0 H GLU A 334 -5.224 -5.694 5.803 1.00 0.00 H new ATOM 0 HA GLU A 334 -4.177 -8.024 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -6.321 -8.327 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -5.425 -7.920 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.961 -9.866 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -4.758 -10.252 6.369 1.00 0.00 H new ATOM 1663 N ALA A 335 -2.026 -8.127 6.093 1.00 0.00 N ATOM 1664 CA ALA A 335 -0.707 -8.123 5.469 1.00 0.00 C ATOM 1665 C ALA A 335 -0.560 -9.303 4.512 1.00 0.00 C ATOM 1666 O ALA A 335 -1.440 -10.167 4.443 1.00 0.00 O ATOM 1667 CB ALA A 335 0.371 -8.190 6.540 1.00 0.00 C ATOM 0 H ALA A 335 -2.106 -8.751 6.896 1.00 0.00 H new ATOM 0 HA ALA A 335 -0.596 -7.200 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 335 1.354 -8.187 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 335 0.283 -7.327 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 335 0.251 -9.104 7.121 1.00 0.00 H new ATOM 1673 N GLY A 336 0.541 -9.339 3.770 1.00 0.00 N ATOM 1674 CA GLY A 336 0.858 -10.516 2.981 1.00 0.00 C ATOM 1675 C GLY A 336 0.906 -10.259 1.487 1.00 0.00 C ATOM 1676 O GLY A 336 1.136 -11.183 0.705 1.00 0.00 O ATOM 0 H GLY A 336 1.217 -8.579 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 336 1.822 -10.909 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 336 0.116 -11.288 3.183 1.00 0.00 H new ATOM 1680 N ASP A 337 0.700 -9.017 1.083 1.00 0.00 N ATOM 1681 CA ASP A 337 0.706 -8.663 -0.329 1.00 0.00 C ATOM 1682 C ASP A 337 2.135 -8.524 -0.867 1.00 0.00 C ATOM 1683 O ASP A 337 3.111 -8.611 -0.111 1.00 0.00 O ATOM 1684 CB ASP A 337 -0.101 -7.379 -0.551 1.00 0.00 C ATOM 1685 CG ASP A 337 0.329 -6.230 0.335 1.00 0.00 C ATOM 1686 OD1 ASP A 337 0.359 -6.410 1.573 1.00 0.00 O ATOM 1687 OD2 ASP A 337 0.593 -5.133 -0.200 1.00 0.00 O1- ATOM 0 H ASP A 337 0.526 -8.234 1.713 1.00 0.00 H new ATOM 0 HA ASP A 337 0.233 -9.470 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 337 -0.007 -7.077 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 337 -1.156 -7.588 -0.374 1.00 0.00 H new ATOM 1692 N ALA A 338 2.254 -8.344 -2.182 1.00 0.00 N ATOM 1693 CA ALA A 338 3.557 -8.332 -2.847 1.00 0.00 C ATOM 1694 C ALA A 338 3.904 -6.942 -3.354 1.00 0.00 C ATOM 1695 O ALA A 338 3.024 -6.180 -3.750 1.00 0.00 O ATOM 1696 CB ALA A 338 3.579 -9.335 -3.994 1.00 0.00 C ATOM 0 H ALA A 338 1.462 -8.204 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 338 4.310 -8.620 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 338 4.556 -9.313 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 338 3.389 -10.336 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 338 2.809 -9.075 -4.720 1.00 0.00 H new ATOM 1702 N VAL A 339 5.193 -6.626 -3.376 1.00 0.00 N ATOM 1703 CA VAL A 339 5.638 -5.264 -3.625 1.00 0.00 C ATOM 1704 C VAL A 339 6.667 -5.199 -4.761 1.00 0.00 C ATOM 1705 O VAL A 339 7.407 -6.153 -4.997 1.00 0.00 O ATOM 1706 CB VAL A 339 6.247 -4.677 -2.319 1.00 0.00 C ATOM 1707 CG1 VAL A 339 6.908 -3.325 -2.559 1.00 0.00 C ATOM 1708 CG2 VAL A 339 5.171 -4.537 -1.259 1.00 0.00 C ATOM 0 H VAL A 339 5.947 -7.296 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 339 4.775 -4.674 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 339 7.015 -5.370 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 339 7.320 -2.950 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 339 7.709 -3.436 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 339 6.168 -2.620 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 339 5.608 -4.125 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 339 4.389 -3.869 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 339 4.742 -5.516 -1.045 1.00 0.00 H new ATOM 1718 N SER A 340 6.692 -4.072 -5.464 1.00 0.00 N ATOM 1719 CA SER A 340 7.670 -3.824 -6.512 1.00 0.00 C ATOM 1720 C SER A 340 7.919 -2.316 -6.634 1.00 0.00 C ATOM 1721 O SER A 340 7.326 -1.531 -5.903 1.00 0.00 O ATOM 1722 CB SER A 340 7.188 -4.432 -7.838 1.00 0.00 C ATOM 1723 OG SER A 340 8.166 -4.303 -8.858 1.00 0.00 O ATOM 0 H SER A 340 6.034 -3.306 -5.322 1.00 0.00 H new ATOM 0 HA SER A 340 8.615 -4.303 -6.257 1.00 0.00 H new ATOM 0 HB2 SER A 340 6.952 -5.486 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 340 6.267 -3.940 -8.151 1.00 0.00 H new ATOM 0 HG SER A 340 8.829 -5.019 -8.768 1.00 0.00 H new ATOM 1729 N VAL A 341 8.821 -1.916 -7.523 1.00 0.00 N ATOM 1730 CA VAL A 341 9.193 -0.508 -7.665 1.00 0.00 C ATOM 1731 C VAL A 341 8.877 0.002 -9.070 1.00 0.00 C ATOM 1732 O VAL A 341 9.006 -0.738 -10.041 1.00 0.00 O ATOM 1733 CB VAL A 341 10.702 -0.305 -7.370 1.00 0.00 C ATOM 1734 CG1 VAL A 341 11.090 1.161 -7.473 1.00 0.00 C ATOM 1735 CG2 VAL A 341 11.062 -0.852 -5.997 1.00 0.00 C ATOM 0 H VAL A 341 9.311 -2.546 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 341 8.608 0.061 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 341 11.264 -0.858 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 341 12.153 1.272 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 341 10.881 1.523 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 341 10.514 1.741 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 341 12.125 -0.699 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 341 10.482 -0.332 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 341 10.837 -1.918 -5.960 1.00 0.00 H new ATOM 1745 N VAL A 342 8.452 1.265 -9.172 1.00 0.00 N ATOM 1746 CA VAL A 342 8.238 1.893 -10.473 1.00 0.00 C ATOM 1747 C VAL A 342 9.576 2.160 -11.150 1.00 0.00 C ATOM 1748 O VAL A 342 9.765 1.852 -12.326 1.00 0.00 O ATOM 1749 CB VAL A 342 7.446 3.222 -10.366 1.00 0.00 C ATOM 1750 CG1 VAL A 342 7.481 3.985 -11.687 1.00 0.00 C ATOM 1751 CG2 VAL A 342 6.001 2.961 -9.966 1.00 0.00 C ATOM 0 H VAL A 342 8.251 1.867 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 342 7.645 1.198 -11.068 1.00 0.00 H new ATOM 0 HB VAL A 342 7.923 3.828 -9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 342 6.919 4.913 -11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 342 8.514 4.213 -11.948 1.00 0.00 H new ATOM 0 HG13 VAL A 342 7.035 3.374 -12.472 1.00 0.00 H new ATOM 0 HG21 VAL A 342 5.466 3.908 -9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 342 5.525 2.328 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 342 5.976 2.459 -8.999 1.00 0.00 H new