USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 599 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 73 CYS SG : rot 24:sc= 1.19 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.423 K(o=1.6,f=0.81) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 36:sc= 0.0469 USER MOD Single : A 21 CYS SG : rot -58:sc= -1.39 USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= -0.0973 (180deg=-0.511) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 0.167 (180deg=-0.463) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -1.76 F(o=-3.2!,f=-1.8) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00753) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00693) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -130:sc= -2.23 USER MOD Single : A 43 GLN : amide:sc= 0.0986 K(o=0.099,f=-0.53) USER MOD Single : A 44 ASN : amide:sc= -3.21 K(o=-3.2,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 140:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0701) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 80 HIS : no HD1:sc= -2.08 X(o=-2.1,f=-2.2!) USER MOD Single : A 83 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -55:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 161 N PRO A 15 -1.237 9.955 -10.509 1.00 0.00 N ATOM 162 CA PRO A 15 -2.329 9.459 -9.665 1.00 0.00 C ATOM 163 C PRO A 15 -2.006 8.108 -9.036 1.00 0.00 C ATOM 164 O PRO A 15 -2.814 7.549 -8.293 1.00 0.00 O ATOM 165 CB PRO A 15 -3.500 9.328 -10.642 1.00 0.00 C ATOM 166 CG PRO A 15 -2.862 9.141 -11.975 1.00 0.00 C ATOM 167 CD PRO A 15 -1.586 9.936 -11.939 1.00 0.00 C ATOM 0 HA PRO A 15 -2.530 10.123 -8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.137 8.481 -10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.130 10.217 -10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.660 8.087 -12.166 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.517 9.490 -12.773 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.804 9.468 -12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.729 10.943 -12.331 1.00 0.00 H new ATOM 175 N THR A 16 -0.821 7.588 -9.337 1.00 0.00 N ATOM 176 CA THR A 16 -0.392 6.302 -8.801 1.00 0.00 C ATOM 177 C THR A 16 0.890 6.445 -7.988 1.00 0.00 C ATOM 178 O THR A 16 1.810 7.161 -8.382 1.00 0.00 O ATOM 179 CB THR A 16 -0.162 5.273 -9.924 1.00 0.00 C ATOM 180 OG1 THR A 16 0.853 5.743 -10.818 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.448 5.020 -10.697 1.00 0.00 C ATOM 0 H THR A 16 -0.141 8.038 -9.949 1.00 0.00 H new ATOM 0 HA THR A 16 -1.193 5.948 -8.152 1.00 0.00 H new ATOM 0 HB THR A 16 0.160 4.336 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.995 5.083 -11.528 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.261 4.290 -11.485 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.210 4.635 -10.019 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.795 5.953 -11.141 1.00 0.00 H new ATOM 189 N LEU A 17 0.944 5.758 -6.852 1.00 0.00 N ATOM 190 CA LEU A 17 2.114 5.808 -5.983 1.00 0.00 C ATOM 191 C LEU A 17 2.536 4.405 -5.557 1.00 0.00 C ATOM 192 O LEU A 17 1.712 3.563 -5.202 1.00 0.00 O ATOM 193 CB LEU A 17 1.822 6.663 -4.748 1.00 0.00 C ATOM 194 CG LEU A 17 1.227 8.040 -5.041 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.806 8.725 -3.750 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.224 8.900 -5.802 1.00 0.00 C ATOM 0 H LEU A 17 0.191 5.160 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 17 2.933 6.259 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.135 6.117 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.748 6.796 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 17 0.342 7.908 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.385 9.704 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.057 8.117 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.674 8.846 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.784 9.877 -6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.127 9.025 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.477 8.416 -6.745 1.00 0.00 H new ATOM 208 N PRO A 18 3.852 4.147 -5.594 1.00 0.00 N ATOM 209 CA PRO A 18 4.414 2.847 -5.215 1.00 0.00 C ATOM 210 C PRO A 18 4.304 2.582 -3.717 1.00 0.00 C ATOM 211 O PRO A 18 4.941 3.257 -2.908 1.00 0.00 O ATOM 212 CB PRO A 18 5.883 2.961 -5.631 1.00 0.00 C ATOM 213 CG PRO A 18 6.171 4.422 -5.606 1.00 0.00 C ATOM 214 CD PRO A 18 4.892 5.104 -6.007 1.00 0.00 C ATOM 0 HA PRO A 18 3.885 2.020 -5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.532 2.418 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.047 2.542 -6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.488 4.740 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.979 4.672 -6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.775 6.065 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.858 5.296 -7.079 1.00 0.00 H new ATOM 222 N VAL A 19 3.491 1.595 -3.353 1.00 0.00 N ATOM 223 CA VAL A 19 3.299 1.240 -1.952 1.00 0.00 C ATOM 224 C VAL A 19 3.731 -0.197 -1.685 1.00 0.00 C ATOM 225 O VAL A 19 3.694 -1.045 -2.577 1.00 0.00 O ATOM 226 CB VAL A 19 1.828 1.409 -1.527 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.406 2.867 -1.631 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.925 0.523 -2.372 1.00 0.00 C ATOM 0 H VAL A 19 2.955 1.027 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 19 3.920 1.918 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 19 1.731 1.101 -0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.364 2.967 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.034 3.475 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.517 3.205 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.111 0.655 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.024 0.799 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.214 -0.520 -2.242 1.00 0.00 H new ATOM 238 N THR A 20 4.142 -0.466 -0.449 1.00 0.00 N ATOM 239 CA THR A 20 4.583 -1.800 -0.064 1.00 0.00 C ATOM 240 C THR A 20 4.191 -2.114 1.376 1.00 0.00 C ATOM 241 O THR A 20 4.472 -1.337 2.289 1.00 0.00 O ATOM 242 CB THR A 20 6.108 -1.953 -0.214 1.00 0.00 C ATOM 243 OG1 THR A 20 6.773 -0.829 0.373 1.00 0.00 O ATOM 244 CG2 THR A 20 6.498 -2.072 -1.679 1.00 0.00 C ATOM 0 H THR A 20 4.178 0.223 0.302 1.00 0.00 H new ATOM 0 HA THR A 20 4.088 -2.502 -0.734 1.00 0.00 H new ATOM 0 HB THR A 20 6.412 -2.864 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.286 -0.543 1.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.580 -2.179 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.013 -2.946 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.181 -1.177 -2.214 1.00 0.00 H new ATOM 252 N CYS A 21 3.543 -3.256 1.572 1.00 0.00 N ATOM 253 CA CYS A 21 3.112 -3.673 2.902 1.00 0.00 C ATOM 254 C CYS A 21 3.704 -5.031 3.264 1.00 0.00 C ATOM 255 O CYS A 21 3.232 -6.069 2.802 1.00 0.00 O ATOM 256 CB CYS A 21 1.586 -3.734 2.971 1.00 0.00 C ATOM 257 SG CYS A 21 0.931 -3.972 4.639 1.00 0.00 S ATOM 0 H CYS A 21 3.304 -3.910 0.827 1.00 0.00 H new ATOM 0 HA CYS A 21 3.471 -2.937 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.177 -2.811 2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.237 -4.548 2.336 1.00 0.00 H new ATOM 0 HG CYS A 21 1.416 -5.068 5.143 1.00 0.00 H new ATOM 263 N GLY A 22 4.743 -5.016 4.094 1.00 0.00 N ATOM 264 CA GLY A 22 5.384 -6.252 4.503 1.00 0.00 C ATOM 265 C GLY A 22 5.831 -7.091 3.323 1.00 0.00 C ATOM 266 O GLY A 22 6.747 -6.712 2.592 1.00 0.00 O ATOM 0 H GLY A 22 5.152 -4.170 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.247 -6.021 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.693 -6.831 5.115 1.00 0.00 H new ATOM 270 N LYS A 23 5.184 -8.237 3.134 1.00 0.00 N ATOM 271 CA LYS A 23 5.519 -9.134 2.035 1.00 0.00 C ATOM 272 C LYS A 23 4.628 -8.869 0.826 1.00 0.00 C ATOM 273 O LYS A 23 4.554 -9.685 -0.093 1.00 0.00 O ATOM 274 CB LYS A 23 5.378 -10.592 2.478 1.00 0.00 C ATOM 275 CG LYS A 23 5.909 -10.857 3.875 1.00 0.00 C ATOM 276 CD LYS A 23 6.431 -12.278 4.013 1.00 0.00 C ATOM 277 CE LYS A 23 6.476 -12.717 5.469 1.00 0.00 C ATOM 278 NZ LYS A 23 5.114 -12.798 6.065 1.00 0.00 N ATOM 0 H LYS A 23 4.424 -8.566 3.729 1.00 0.00 H new ATOM 0 HA LYS A 23 6.554 -8.947 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.326 -10.875 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.907 -11.231 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.708 -10.151 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.117 -10.687 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.794 -12.957 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.430 -12.343 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.962 -13.690 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.082 -12.015 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.137 -13.417 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.802 -11.847 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.451 -13.186 5.364 1.00 0.00 H new ATOM 292 N ALA A 24 3.953 -7.725 0.833 1.00 0.00 N ATOM 293 CA ALA A 24 3.069 -7.352 -0.265 1.00 0.00 C ATOM 294 C ALA A 24 3.522 -6.050 -0.916 1.00 0.00 C ATOM 295 O ALA A 24 4.003 -5.140 -0.241 1.00 0.00 O ATOM 296 CB ALA A 24 1.636 -7.225 0.231 1.00 0.00 C ATOM 0 H ALA A 24 4.001 -7.040 1.587 1.00 0.00 H new ATOM 0 HA ALA A 24 3.113 -8.139 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.987 -6.946 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.308 -8.179 0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.585 -6.459 1.004 1.00 0.00 H new ATOM 302 N LYS A 25 3.366 -5.968 -2.233 1.00 0.00 N ATOM 303 CA LYS A 25 3.758 -4.777 -2.978 1.00 0.00 C ATOM 304 C LYS A 25 2.754 -4.472 -4.085 1.00 0.00 C ATOM 305 O LYS A 25 2.355 -5.361 -4.836 1.00 0.00 O ATOM 306 CB LYS A 25 5.154 -4.962 -3.577 1.00 0.00 C ATOM 307 CG LYS A 25 6.182 -5.467 -2.580 1.00 0.00 C ATOM 308 CD LYS A 25 6.250 -6.985 -2.570 1.00 0.00 C ATOM 309 CE LYS A 25 7.492 -7.483 -1.845 1.00 0.00 C ATOM 310 NZ LYS A 25 7.329 -8.883 -1.365 1.00 0.00 N ATOM 0 H LYS A 25 2.971 -6.713 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 25 3.775 -3.935 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.093 -5.663 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.494 -4.010 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.162 -5.060 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.931 -5.107 -1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.360 -7.387 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.252 -7.357 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.351 -7.426 -2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.704 -6.831 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.867 -9.013 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.322 -9.074 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.684 -9.541 -2.088 1.00 0.00 H new ATOM 324 N GLY A 26 2.351 -3.208 -4.181 1.00 0.00 N ATOM 325 CA GLY A 26 1.398 -2.809 -5.200 1.00 0.00 C ATOM 326 C GLY A 26 1.485 -1.332 -5.528 1.00 0.00 C ATOM 327 O GLY A 26 2.539 -0.714 -5.372 1.00 0.00 O ATOM 0 H GLY A 26 2.668 -2.454 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.574 -3.390 -6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.389 -3.044 -4.861 1.00 0.00 H new ATOM 331 N THR A 27 0.375 -0.762 -5.985 1.00 0.00 N ATOM 332 CA THR A 27 0.330 0.651 -6.339 1.00 0.00 C ATOM 333 C THR A 27 -1.020 1.264 -5.985 1.00 0.00 C ATOM 334 O THR A 27 -2.068 0.748 -6.371 1.00 0.00 O ATOM 335 CB THR A 27 0.599 0.863 -7.841 1.00 0.00 C ATOM 336 OG1 THR A 27 1.902 0.374 -8.179 1.00 0.00 O ATOM 337 CG2 THR A 27 0.494 2.336 -8.207 1.00 0.00 C ATOM 0 H THR A 27 -0.506 -1.258 -6.119 1.00 0.00 H new ATOM 0 HA THR A 27 1.113 1.146 -5.764 1.00 0.00 H new ATOM 0 HB THR A 27 -0.153 0.311 -8.404 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.065 0.511 -9.136 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.688 2.461 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.508 2.698 -7.976 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.227 2.906 -7.636 1.00 0.00 H new ATOM 345 N LEU A 28 -0.987 2.370 -5.248 1.00 0.00 N ATOM 346 CA LEU A 28 -2.209 3.055 -4.842 1.00 0.00 C ATOM 347 C LEU A 28 -2.631 4.081 -5.888 1.00 0.00 C ATOM 348 O LEU A 28 -1.822 4.891 -6.341 1.00 0.00 O ATOM 349 CB LEU A 28 -2.008 3.741 -3.489 1.00 0.00 C ATOM 350 CG LEU A 28 -3.114 4.716 -3.087 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.191 4.002 -2.285 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.537 5.878 -2.292 1.00 0.00 C ATOM 0 H LEU A 28 -0.128 2.811 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.000 2.311 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.923 2.974 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.060 4.279 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.569 5.113 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.970 4.713 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.625 3.205 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.751 3.576 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.339 6.562 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.055 5.499 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.803 6.407 -2.901 1.00 0.00 H new ATOM 364 N PHE A 29 -3.904 4.041 -6.269 1.00 0.00 N ATOM 365 CA PHE A 29 -4.434 4.966 -7.263 1.00 0.00 C ATOM 366 C PHE A 29 -5.364 5.987 -6.614 1.00 0.00 C ATOM 367 O PHE A 29 -6.517 5.685 -6.308 1.00 0.00 O ATOM 368 CB PHE A 29 -5.183 4.200 -8.355 1.00 0.00 C ATOM 369 CG PHE A 29 -4.289 3.349 -9.211 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.520 2.344 -8.647 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.218 3.554 -10.580 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.696 1.560 -9.433 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.396 2.773 -11.370 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.635 1.774 -10.796 1.00 0.00 C ATOM 0 H PHE A 29 -4.587 3.377 -5.904 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.595 5.498 -7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.938 3.566 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.711 4.912 -8.990 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.565 2.171 -7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.812 4.333 -11.035 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.100 0.781 -8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.349 2.944 -12.435 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.993 1.161 -11.412 1.00 0.00 H new ATOM 384 N GLN A 30 -4.852 7.197 -6.407 1.00 0.00 N ATOM 385 CA GLN A 30 -5.636 8.262 -5.794 1.00 0.00 C ATOM 386 C GLN A 30 -7.049 8.297 -6.365 1.00 0.00 C ATOM 387 O GLN A 30 -8.022 8.456 -5.629 1.00 0.00 O ATOM 388 CB GLN A 30 -4.953 9.614 -6.008 1.00 0.00 C ATOM 389 CG GLN A 30 -3.436 9.549 -5.928 1.00 0.00 C ATOM 390 CD GLN A 30 -2.811 10.889 -5.591 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.319 11.021 -4.365 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.772 11.795 -6.423 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.899 7.463 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.702 8.061 -4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.241 10.007 -6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.318 10.318 -5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.147 8.818 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.040 9.197 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.163 11.650 -7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.349 12.691 -6.182 1.00 0.00 H new ATOM 401 N GLU A 31 -7.154 8.148 -7.682 1.00 0.00 N ATOM 402 CA GLU A 31 -8.449 8.164 -8.352 1.00 0.00 C ATOM 403 C GLU A 31 -9.367 7.084 -7.787 1.00 0.00 C ATOM 404 O GLU A 31 -10.566 7.301 -7.612 1.00 0.00 O ATOM 405 CB GLU A 31 -8.272 7.961 -9.858 1.00 0.00 C ATOM 406 CG GLU A 31 -9.519 7.441 -10.553 1.00 0.00 C ATOM 407 CD GLU A 31 -9.609 7.886 -12.000 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.724 7.506 -12.795 1.00 0.00 O ATOM 409 OE2 GLU A 31 -10.566 8.615 -12.337 1.00 0.00 O ATOM 0 H GLU A 31 -6.358 8.015 -8.306 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.908 9.137 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.982 8.908 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.453 7.262 -10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.527 6.352 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.401 7.787 -10.015 1.00 0.00 H new ATOM 416 N LYS A 32 -8.794 5.919 -7.503 1.00 0.00 N ATOM 417 CA LYS A 32 -9.559 4.803 -6.957 1.00 0.00 C ATOM 418 C LYS A 32 -9.652 4.900 -5.437 1.00 0.00 C ATOM 419 O LYS A 32 -10.451 4.206 -4.810 1.00 0.00 O ATOM 420 CB LYS A 32 -8.914 3.474 -7.355 1.00 0.00 C ATOM 421 CG LYS A 32 -9.376 2.955 -8.706 1.00 0.00 C ATOM 422 CD LYS A 32 -8.291 2.141 -9.391 1.00 0.00 C ATOM 423 CE LYS A 32 -8.665 1.812 -10.828 1.00 0.00 C ATOM 424 NZ LYS A 32 -8.485 2.983 -11.730 1.00 0.00 N ATOM 0 H LYS A 32 -7.803 5.723 -7.642 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.567 4.849 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.831 3.596 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.138 2.728 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.266 2.340 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.659 3.794 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.353 2.697 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.123 1.217 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.052 0.983 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.703 1.480 -10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.685 2.700 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.138 3.742 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.506 3.326 -11.662 1.00 0.00 H new ATOM 438 N LEU A 33 -8.831 5.766 -4.852 1.00 0.00 N ATOM 439 CA LEU A 33 -8.823 5.954 -3.406 1.00 0.00 C ATOM 440 C LEU A 33 -9.811 7.040 -2.993 1.00 0.00 C ATOM 441 O LEU A 33 -10.374 7.000 -1.899 1.00 0.00 O ATOM 442 CB LEU A 33 -7.416 6.320 -2.927 1.00 0.00 C ATOM 443 CG LEU A 33 -7.199 6.218 -1.417 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.351 4.779 -0.951 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.830 6.761 -1.038 1.00 0.00 C ATOM 0 H LEU A 33 -8.163 6.348 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.126 5.016 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.698 5.669 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.195 7.340 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.958 6.821 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.193 4.727 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.354 4.424 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.615 4.153 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.692 6.681 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.057 6.185 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.758 7.807 -1.336 1.00 0.00 H new ATOM 457 N LYS A 34 -10.018 8.011 -3.876 1.00 0.00 N ATOM 458 CA LYS A 34 -10.939 9.108 -3.606 1.00 0.00 C ATOM 459 C LYS A 34 -12.314 8.580 -3.212 1.00 0.00 C ATOM 460 O LYS A 34 -12.920 9.057 -2.253 1.00 0.00 O ATOM 461 CB LYS A 34 -11.061 10.013 -4.834 1.00 0.00 C ATOM 462 CG LYS A 34 -9.875 10.942 -5.026 1.00 0.00 C ATOM 463 CD LYS A 34 -9.999 11.747 -6.309 1.00 0.00 C ATOM 464 CE LYS A 34 -10.729 13.061 -6.074 1.00 0.00 C ATOM 465 NZ LYS A 34 -10.761 13.905 -7.300 1.00 0.00 N ATOM 0 H LYS A 34 -9.560 8.060 -4.786 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.540 9.687 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.173 9.392 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.969 10.610 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.801 11.620 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.955 10.359 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.006 11.948 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.533 11.161 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.749 12.857 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.240 13.609 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.267 14.791 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.788 14.122 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.250 13.393 -8.061 1.00 0.00 H new ATOM 479 N GLN A 35 -12.799 7.592 -3.957 1.00 0.00 N ATOM 480 CA GLN A 35 -14.103 6.999 -3.683 1.00 0.00 C ATOM 481 C GLN A 35 -14.175 6.479 -2.251 1.00 0.00 C ATOM 482 O GLN A 35 -15.113 6.785 -1.516 1.00 0.00 O ATOM 483 CB GLN A 35 -14.386 5.861 -4.666 1.00 0.00 C ATOM 484 CG GLN A 35 -14.349 6.293 -6.123 1.00 0.00 C ATOM 485 CD GLN A 35 -15.284 5.479 -6.996 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.961 6.018 -7.872 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.325 4.172 -6.762 1.00 0.00 N ATOM 0 H GLN A 35 -12.309 7.186 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.859 7.774 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.654 5.068 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.366 5.437 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.618 7.347 -6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.331 6.198 -6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.747 3.767 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.935 3.573 -7.319 1.00 0.00 H new ATOM 496 N GLY A 36 -13.178 5.691 -1.862 1.00 0.00 N ATOM 497 CA GLY A 36 -13.148 5.141 -0.519 1.00 0.00 C ATOM 498 C GLY A 36 -11.999 4.173 -0.314 1.00 0.00 C ATOM 499 O GLY A 36 -11.488 3.594 -1.272 1.00 0.00 O ATOM 0 H GLY A 36 -12.390 5.423 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.066 5.955 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.090 4.630 -0.318 1.00 0.00 H new ATOM 503 N ALA A 37 -11.590 4.000 0.938 1.00 0.00 N ATOM 504 CA ALA A 37 -10.494 3.096 1.265 1.00 0.00 C ATOM 505 C ALA A 37 -10.976 1.651 1.331 1.00 0.00 C ATOM 506 O ALA A 37 -10.293 0.783 1.876 1.00 0.00 O ATOM 507 CB ALA A 37 -9.852 3.501 2.584 1.00 0.00 C ATOM 0 H ALA A 37 -12.001 4.474 1.743 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.748 3.167 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.035 2.818 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.464 4.516 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.597 3.460 3.379 1.00 0.00 H new ATOM 513 N SER A 38 -12.155 1.399 0.773 1.00 0.00 N ATOM 514 CA SER A 38 -12.730 0.059 0.773 1.00 0.00 C ATOM 515 C SER A 38 -12.675 -0.556 -0.622 1.00 0.00 C ATOM 516 O SER A 38 -12.658 -1.777 -0.776 1.00 0.00 O ATOM 517 CB SER A 38 -14.178 0.102 1.266 1.00 0.00 C ATOM 518 OG SER A 38 -14.967 0.957 0.457 1.00 0.00 O ATOM 0 H SER A 38 -12.731 2.105 0.315 1.00 0.00 H new ATOM 0 HA SER A 38 -12.141 -0.562 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.599 -0.903 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.204 0.448 2.299 1.00 0.00 H new ATOM 0 HG SER A 38 -15.888 0.966 0.792 1.00 0.00 H new ATOM 524 N LYS A 39 -12.646 0.300 -1.638 1.00 0.00 N ATOM 525 CA LYS A 39 -12.591 -0.156 -3.022 1.00 0.00 C ATOM 526 C LYS A 39 -11.171 -0.559 -3.406 1.00 0.00 C ATOM 527 O LYS A 39 -10.198 0.022 -2.925 1.00 0.00 O ATOM 528 CB LYS A 39 -13.093 0.942 -3.963 1.00 0.00 C ATOM 529 CG LYS A 39 -14.544 1.327 -3.730 1.00 0.00 C ATOM 530 CD LYS A 39 -14.668 2.432 -2.695 1.00 0.00 C ATOM 531 CE LYS A 39 -16.075 3.010 -2.663 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.078 2.003 -2.218 1.00 0.00 N ATOM 0 H LYS A 39 -12.660 1.314 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.236 -1.030 -3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.467 1.826 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.976 0.607 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.990 1.655 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.105 0.453 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.412 2.040 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.953 3.224 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.100 3.868 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.341 3.374 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.021 2.440 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.085 1.203 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.829 1.662 -1.267 1.00 0.00 H new ATOM 546 N LYS A 40 -11.059 -1.556 -4.277 1.00 0.00 N ATOM 547 CA LYS A 40 -9.758 -2.036 -4.729 1.00 0.00 C ATOM 548 C LYS A 40 -8.990 -0.931 -5.448 1.00 0.00 C ATOM 549 O LYS A 40 -9.290 -0.600 -6.596 1.00 0.00 O ATOM 550 CB LYS A 40 -9.930 -3.240 -5.658 1.00 0.00 C ATOM 551 CG LYS A 40 -10.860 -4.306 -5.106 1.00 0.00 C ATOM 552 CD LYS A 40 -10.099 -5.354 -4.312 1.00 0.00 C ATOM 553 CE LYS A 40 -10.968 -6.565 -4.010 1.00 0.00 C ATOM 554 NZ LYS A 40 -11.030 -7.505 -5.164 1.00 0.00 N ATOM 0 H LYS A 40 -11.854 -2.048 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.186 -2.340 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.315 -2.896 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.953 -3.685 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.611 -3.840 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.392 -4.786 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.218 -5.668 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.744 -4.918 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.574 -7.086 -3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.975 -6.235 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.632 -8.317 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.430 -7.015 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.072 -7.840 -5.391 1.00 0.00 H new ATOM 568 N CYS A 41 -8.000 -0.365 -4.766 1.00 0.00 N ATOM 569 CA CYS A 41 -7.189 0.702 -5.341 1.00 0.00 C ATOM 570 C CYS A 41 -5.728 0.278 -5.447 1.00 0.00 C ATOM 571 O CYS A 41 -4.988 0.773 -6.297 1.00 0.00 O ATOM 572 CB CYS A 41 -7.305 1.971 -4.495 1.00 0.00 C ATOM 573 SG CYS A 41 -6.749 1.771 -2.786 1.00 0.00 S ATOM 0 H CYS A 41 -7.740 -0.627 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.562 0.908 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.722 2.763 -4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.344 2.299 -4.492 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.657 2.231 -1.978 1.00 0.00 H new ATOM 579 N ILE A 42 -5.319 -0.640 -4.577 1.00 0.00 N ATOM 580 CA ILE A 42 -3.947 -1.129 -4.573 1.00 0.00 C ATOM 581 C ILE A 42 -3.770 -2.281 -5.557 1.00 0.00 C ATOM 582 O ILE A 42 -4.263 -3.385 -5.329 1.00 0.00 O ATOM 583 CB ILE A 42 -3.521 -1.599 -3.169 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.493 -0.417 -2.198 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.160 -2.276 -3.227 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.487 -0.830 -0.743 1.00 0.00 C ATOM 0 H ILE A 42 -5.919 -1.059 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.314 -0.295 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.251 -2.324 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.608 0.187 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.361 0.216 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.873 -2.602 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.211 -3.140 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.419 -1.572 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.467 0.059 -0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.385 -1.409 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.605 -1.438 -0.541 1.00 0.00 H new ATOM 598 N GLN A 43 -3.064 -2.014 -6.650 1.00 0.00 N ATOM 599 CA GLN A 43 -2.822 -3.029 -7.669 1.00 0.00 C ATOM 600 C GLN A 43 -1.494 -3.739 -7.426 1.00 0.00 C ATOM 601 O GLN A 43 -0.442 -3.104 -7.366 1.00 0.00 O ATOM 602 CB GLN A 43 -2.827 -2.396 -9.062 1.00 0.00 C ATOM 603 CG GLN A 43 -3.202 -3.366 -10.170 1.00 0.00 C ATOM 604 CD GLN A 43 -3.105 -2.743 -11.548 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.188 -1.972 -11.831 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.054 -3.076 -12.417 1.00 0.00 N ATOM 0 H GLN A 43 -2.650 -1.104 -6.853 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.624 -3.765 -7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.527 -1.561 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.839 -1.986 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.548 -4.237 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.219 -3.722 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.796 -3.719 -12.140 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.040 -2.689 -13.360 1.00 0.00 H new ATOM 615 N ASN A 44 -1.551 -5.059 -7.286 1.00 0.00 N ATOM 616 CA ASN A 44 -0.352 -5.855 -7.048 1.00 0.00 C ATOM 617 C ASN A 44 0.469 -5.998 -8.326 1.00 0.00 C ATOM 618 O ASN A 44 0.053 -5.552 -9.395 1.00 0.00 O ATOM 619 CB ASN A 44 -0.731 -7.238 -6.515 1.00 0.00 C ATOM 620 CG ASN A 44 -1.496 -8.061 -7.534 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.747 -7.609 -8.651 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.872 -9.276 -7.151 1.00 0.00 N ATOM 0 H ASN A 44 -2.414 -5.600 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 44 0.255 -5.339 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.173 -7.773 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.336 -7.124 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.391 -9.875 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.642 -9.610 -6.215 1.00 0.00 H new ATOM 629 N GLU A 45 1.636 -6.622 -8.207 1.00 0.00 N ATOM 630 CA GLU A 45 2.515 -6.823 -9.353 1.00 0.00 C ATOM 631 C GLU A 45 1.819 -7.644 -10.435 1.00 0.00 C ATOM 632 O GLU A 45 2.159 -7.552 -11.614 1.00 0.00 O ATOM 633 CB GLU A 45 3.805 -7.521 -8.919 1.00 0.00 C ATOM 634 CG GLU A 45 4.517 -6.825 -7.771 1.00 0.00 C ATOM 635 CD GLU A 45 6.020 -7.019 -7.814 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.598 -6.948 -8.919 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.620 -7.242 -6.741 1.00 0.00 O ATOM 0 H GLU A 45 1.995 -6.997 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 45 2.761 -5.844 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.573 -8.544 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.481 -7.580 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.291 -5.759 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.132 -7.206 -6.825 1.00 0.00 H new ATOM 644 N ALA A 46 0.843 -8.448 -10.024 1.00 0.00 N ATOM 645 CA ALA A 46 0.098 -9.284 -10.957 1.00 0.00 C ATOM 646 C ALA A 46 -0.968 -8.476 -11.688 1.00 0.00 C ATOM 647 O ALA A 46 -1.546 -8.937 -12.671 1.00 0.00 O ATOM 648 CB ALA A 46 -0.535 -10.457 -10.224 1.00 0.00 C ATOM 0 H ALA A 46 0.550 -8.538 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 46 0.797 -9.669 -11.700 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.088 -11.073 -10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.245 -11.056 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.216 -10.083 -9.459 1.00 0.00 H new ATOM 654 N GLY A 47 -1.226 -7.266 -11.199 1.00 0.00 N ATOM 655 CA GLY A 47 -2.224 -6.413 -11.818 1.00 0.00 C ATOM 656 C GLY A 47 -3.559 -6.469 -11.102 1.00 0.00 C ATOM 657 O GLY A 47 -4.387 -5.570 -11.248 1.00 0.00 O ATOM 0 H GLY A 47 -0.762 -6.862 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.863 -5.385 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.360 -6.713 -12.857 1.00 0.00 H new ATOM 661 N ASP A 48 -3.769 -7.528 -10.329 1.00 0.00 N ATOM 662 CA ASP A 48 -5.014 -7.699 -9.588 1.00 0.00 C ATOM 663 C ASP A 48 -5.146 -6.640 -8.498 1.00 0.00 C ATOM 664 O ASP A 48 -4.295 -6.534 -7.615 1.00 0.00 O ATOM 665 CB ASP A 48 -5.076 -9.096 -8.969 1.00 0.00 C ATOM 666 CG ASP A 48 -5.267 -10.182 -10.010 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.431 -10.490 -10.340 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.251 -10.725 -10.494 1.00 0.00 O ATOM 0 H ASP A 48 -3.094 -8.281 -10.199 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.843 -7.582 -10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.157 -9.286 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.895 -9.136 -8.251 1.00 0.00 H new ATOM 673 N TRP A 49 -6.218 -5.858 -8.567 1.00 0.00 N ATOM 674 CA TRP A 49 -6.461 -4.807 -7.586 1.00 0.00 C ATOM 675 C TRP A 49 -6.805 -5.401 -6.224 1.00 0.00 C ATOM 676 O TRP A 49 -7.376 -6.488 -6.137 1.00 0.00 O ATOM 677 CB TRP A 49 -7.593 -3.893 -8.058 1.00 0.00 C ATOM 678 CG TRP A 49 -7.301 -3.210 -9.360 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.477 -3.725 -10.612 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.781 -1.888 -9.536 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.097 -2.802 -11.557 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.667 -1.667 -10.923 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.401 -0.869 -8.659 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.189 -0.470 -11.449 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.927 0.319 -9.182 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.825 0.511 -10.566 1.00 0.00 C ATOM 0 H TRP A 49 -6.932 -5.932 -9.292 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.548 -4.221 -7.485 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.506 -4.480 -8.161 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.783 -3.138 -7.295 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.859 -4.712 -10.828 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.130 -2.940 -12.567 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.476 -1.007 -7.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.108 -0.321 -12.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.630 1.113 -8.513 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.452 1.451 -10.944 1.00 0.00 H new ATOM 697 N LEU A 50 -6.455 -4.681 -5.164 1.00 0.00 N ATOM 698 CA LEU A 50 -6.727 -5.138 -3.806 1.00 0.00 C ATOM 699 C LEU A 50 -7.141 -3.973 -2.913 1.00 0.00 C ATOM 700 O LEU A 50 -6.636 -2.859 -3.051 1.00 0.00 O ATOM 701 CB LEU A 50 -5.494 -5.831 -3.222 1.00 0.00 C ATOM 702 CG LEU A 50 -4.964 -7.008 -4.041 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.458 -7.138 -3.878 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.660 -8.298 -3.631 1.00 0.00 C ATOM 0 H LEU A 50 -5.982 -3.779 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.550 -5.851 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.698 -5.094 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.736 -6.185 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.179 -6.820 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.100 -7.981 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.975 -6.223 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.219 -7.303 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.271 -9.126 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.476 -8.491 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.732 -8.203 -3.801 1.00 0.00 H new ATOM 716 N THR A 51 -8.065 -4.239 -1.994 1.00 0.00 N ATOM 717 CA THR A 51 -8.549 -3.213 -1.079 1.00 0.00 C ATOM 718 C THR A 51 -7.501 -2.879 -0.024 1.00 0.00 C ATOM 719 O THR A 51 -6.764 -3.753 0.433 1.00 0.00 O ATOM 720 CB THR A 51 -9.846 -3.656 -0.375 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.591 -4.797 0.452 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.926 -3.992 -1.392 1.00 0.00 C ATOM 0 H THR A 51 -8.493 -5.156 -1.864 1.00 0.00 H new ATOM 0 HA THR A 51 -8.753 -2.326 -1.678 1.00 0.00 H new ATOM 0 HB THR A 51 -10.196 -2.830 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.420 -5.071 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.832 -4.302 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.140 -3.113 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.581 -4.802 -2.034 1.00 0.00 H new ATOM 730 N VAL A 52 -7.439 -1.608 0.360 1.00 0.00 N ATOM 731 CA VAL A 52 -6.481 -1.158 1.363 1.00 0.00 C ATOM 732 C VAL A 52 -6.254 -2.228 2.425 1.00 0.00 C ATOM 733 O VAL A 52 -5.165 -2.337 2.990 1.00 0.00 O ATOM 734 CB VAL A 52 -6.954 0.138 2.049 1.00 0.00 C ATOM 735 CG1 VAL A 52 -5.894 0.649 3.013 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.295 1.196 1.010 1.00 0.00 C ATOM 0 H VAL A 52 -8.041 -0.872 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.544 -0.963 0.841 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.856 -0.082 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.245 1.565 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.702 -0.105 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.974 0.854 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.627 2.105 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.412 1.415 0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.091 0.827 0.363 1.00 0.00 H new ATOM 746 N LYS A 53 -7.289 -3.017 2.692 1.00 0.00 N ATOM 747 CA LYS A 53 -7.204 -4.081 3.685 1.00 0.00 C ATOM 748 C LYS A 53 -6.486 -5.301 3.116 1.00 0.00 C ATOM 749 O LYS A 53 -5.477 -5.748 3.659 1.00 0.00 O ATOM 750 CB LYS A 53 -8.604 -4.476 4.162 1.00 0.00 C ATOM 751 CG LYS A 53 -8.637 -4.992 5.590 1.00 0.00 C ATOM 752 CD LYS A 53 -8.533 -3.858 6.595 1.00 0.00 C ATOM 753 CE LYS A 53 -9.025 -4.284 7.970 1.00 0.00 C ATOM 754 NZ LYS A 53 -9.033 -3.148 8.933 1.00 0.00 N ATOM 0 H LYS A 53 -8.197 -2.940 2.234 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.630 -3.707 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.263 -3.612 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.002 -5.243 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.562 -5.544 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.816 -5.692 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.497 -3.526 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.117 -3.007 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.031 -4.695 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.387 -5.080 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.374 -3.479 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.069 -2.772 9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.662 -2.398 8.580 1.00 0.00 H new ATOM 768 N GLU A 54 -7.015 -5.833 2.018 1.00 0.00 N ATOM 769 CA GLU A 54 -6.423 -7.001 1.375 1.00 0.00 C ATOM 770 C GLU A 54 -4.904 -6.874 1.308 1.00 0.00 C ATOM 771 O GLU A 54 -4.175 -7.788 1.696 1.00 0.00 O ATOM 772 CB GLU A 54 -6.994 -7.179 -0.033 1.00 0.00 C ATOM 773 CG GLU A 54 -8.287 -7.975 -0.070 1.00 0.00 C ATOM 774 CD GLU A 54 -8.446 -8.773 -1.349 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.523 -9.545 -1.684 1.00 0.00 O ATOM 776 OE2 GLU A 54 -9.491 -8.625 -2.016 1.00 0.00 O ATOM 0 H GLU A 54 -7.851 -5.475 1.556 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.670 -7.878 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.170 -6.197 -0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.252 -7.678 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.316 -8.653 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.131 -7.294 0.036 1.00 0.00 H new ATOM 783 N PHE A 55 -4.433 -5.734 0.813 1.00 0.00 N ATOM 784 CA PHE A 55 -3.001 -5.487 0.693 1.00 0.00 C ATOM 785 C PHE A 55 -2.275 -5.855 1.984 1.00 0.00 C ATOM 786 O PHE A 55 -1.210 -6.471 1.956 1.00 0.00 O ATOM 787 CB PHE A 55 -2.742 -4.018 0.351 1.00 0.00 C ATOM 788 CG PHE A 55 -1.339 -3.748 -0.111 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.774 -4.499 -1.129 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.584 -2.744 0.473 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.517 -4.253 -1.557 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.707 -2.493 0.049 1.00 0.00 C ATOM 793 CZ PHE A 55 1.259 -3.250 -0.966 1.00 0.00 C ATOM 0 H PHE A 55 -5.022 -4.967 0.489 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.616 -6.114 -0.111 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.438 -3.706 -0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.951 -3.407 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.349 -5.286 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.009 -2.151 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.945 -4.845 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.284 -1.706 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.269 -3.058 -1.297 1.00 0.00 H new ATOM 803 N LEU A 56 -2.860 -5.472 3.114 1.00 0.00 N ATOM 804 CA LEU A 56 -2.270 -5.761 4.416 1.00 0.00 C ATOM 805 C LEU A 56 -2.123 -7.265 4.625 1.00 0.00 C ATOM 806 O LEU A 56 -1.016 -7.771 4.807 1.00 0.00 O ATOM 807 CB LEU A 56 -3.128 -5.160 5.532 1.00 0.00 C ATOM 808 CG LEU A 56 -3.654 -3.752 5.256 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.447 -3.235 6.446 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.507 -2.809 4.927 1.00 0.00 C ATOM 0 H LEU A 56 -3.742 -4.961 3.155 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.278 -5.310 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.977 -5.820 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.540 -5.139 6.450 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.320 -3.797 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.813 -2.231 6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.292 -3.897 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.805 -3.206 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.900 -1.811 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.816 -2.769 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.982 -3.170 4.043 1.00 0.00 H new ATOM 822 N ASN A 57 -3.247 -7.973 4.599 1.00 0.00 N ATOM 823 CA ASN A 57 -3.244 -9.419 4.787 1.00 0.00 C ATOM 824 C ASN A 57 -2.119 -10.069 3.987 1.00 0.00 C ATOM 825 O ASN A 57 -1.424 -10.955 4.483 1.00 0.00 O ATOM 826 CB ASN A 57 -4.591 -10.011 4.367 1.00 0.00 C ATOM 827 CG ASN A 57 -4.954 -11.247 5.168 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.080 -12.002 5.596 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.248 -11.459 5.374 1.00 0.00 N ATOM 0 H ASN A 57 -4.172 -7.569 4.450 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.079 -9.623 5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.370 -9.259 4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.559 -10.264 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.553 -12.274 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.937 -10.807 5.001 1.00 0.00 H new ATOM 836 N GLU A 58 -1.945 -9.621 2.748 1.00 0.00 N ATOM 837 CA GLU A 58 -0.905 -10.159 1.880 1.00 0.00 C ATOM 838 C GLU A 58 0.458 -10.103 2.565 1.00 0.00 C ATOM 839 O GLU A 58 1.281 -11.003 2.409 1.00 0.00 O ATOM 840 CB GLU A 58 -0.857 -9.384 0.562 1.00 0.00 C ATOM 841 CG GLU A 58 -1.822 -9.909 -0.488 1.00 0.00 C ATOM 842 CD GLU A 58 -3.207 -9.305 -0.362 1.00 0.00 C ATOM 843 OE1 GLU A 58 -3.390 -8.146 -0.788 1.00 0.00 O ATOM 844 OE2 GLU A 58 -4.108 -9.992 0.164 1.00 0.00 O ATOM 0 H GLU A 58 -2.511 -8.887 2.323 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.146 -11.201 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.082 -8.336 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.157 -9.423 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.425 -9.694 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.893 -10.993 -0.401 1.00 0.00 H new ATOM 851 N GLY A 59 0.688 -9.037 3.326 1.00 0.00 N ATOM 852 CA GLY A 59 1.951 -8.881 4.023 1.00 0.00 C ATOM 853 C GLY A 59 1.931 -9.502 5.406 1.00 0.00 C ATOM 854 O GLY A 59 2.933 -10.047 5.864 1.00 0.00 O ATOM 0 H GLY A 59 0.022 -8.279 3.472 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.746 -9.338 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.187 -7.820 4.108 1.00 0.00 H new ATOM 858 N GLY A 60 0.784 -9.417 6.074 1.00 0.00 N ATOM 859 CA GLY A 60 0.659 -9.977 7.407 1.00 0.00 C ATOM 860 C GLY A 60 0.370 -8.921 8.455 1.00 0.00 C ATOM 861 O GLY A 60 0.648 -9.118 9.638 1.00 0.00 O ATOM 0 H GLY A 60 -0.060 -8.971 5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.140 -10.718 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.580 -10.499 7.666 1.00 0.00 H new ATOM 865 N ARG A 61 -0.188 -7.796 8.020 1.00 0.00 N ATOM 866 CA ARG A 61 -0.512 -6.703 8.930 1.00 0.00 C ATOM 867 C ARG A 61 -2.023 -6.517 9.040 1.00 0.00 C ATOM 868 O ARG A 61 -2.499 -5.475 9.487 1.00 0.00 O ATOM 869 CB ARG A 61 0.139 -5.404 8.452 1.00 0.00 C ATOM 870 CG ARG A 61 1.536 -5.182 9.007 1.00 0.00 C ATOM 871 CD ARG A 61 2.598 -5.782 8.098 1.00 0.00 C ATOM 872 NE ARG A 61 3.876 -5.949 8.785 1.00 0.00 N ATOM 873 CZ ARG A 61 4.176 -7.004 9.534 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.294 -7.981 9.692 1.00 0.00 N ATOM 875 NH2 ARG A 61 5.360 -7.083 10.127 1.00 0.00 N ATOM 0 H ARG A 61 -0.425 -7.617 7.044 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.122 -6.956 9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.187 -5.411 7.363 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.494 -4.564 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.717 -4.113 9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.610 -5.628 9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.255 -6.749 7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.735 -5.140 7.228 1.00 0.00 H new ATOM 0 HE ARG A 61 4.577 -5.215 8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.383 -7.924 9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.527 -8.790 10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.041 -6.333 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.589 -7.894 10.702 1.00 0.00 H new ATOM 889 N ALA A 62 -2.771 -7.536 8.628 1.00 0.00 N ATOM 890 CA ALA A 62 -4.226 -7.486 8.682 1.00 0.00 C ATOM 891 C ALA A 62 -4.711 -7.074 10.068 1.00 0.00 C ATOM 892 O ALA A 62 -5.561 -6.193 10.204 1.00 0.00 O ATOM 893 CB ALA A 62 -4.816 -8.833 8.294 1.00 0.00 C ATOM 0 H ALA A 62 -2.392 -8.406 8.253 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.565 -6.734 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.904 -8.780 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.507 -9.087 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.461 -9.598 8.984 1.00 0.00 H new ATOM 899 N THR A 63 -4.165 -7.716 11.096 1.00 0.00 N ATOM 900 CA THR A 63 -4.542 -7.419 12.471 1.00 0.00 C ATOM 901 C THR A 63 -4.456 -5.923 12.754 1.00 0.00 C ATOM 902 O THR A 63 -5.222 -5.388 13.555 1.00 0.00 O ATOM 903 CB THR A 63 -3.648 -8.171 13.475 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.001 -7.807 14.814 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.179 -7.861 13.230 1.00 0.00 C ATOM 0 H THR A 63 -3.459 -8.446 11.001 1.00 0.00 H new ATOM 0 HA THR A 63 -5.573 -7.751 12.594 1.00 0.00 H new ATOM 0 HB THR A 63 -3.805 -9.241 13.337 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.429 -8.291 15.446 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.568 -8.403 13.951 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.906 -8.167 12.220 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.009 -6.790 13.343 1.00 0.00 H new ATOM 913 N SER A 64 -3.519 -5.253 12.090 1.00 0.00 N ATOM 914 CA SER A 64 -3.331 -3.819 12.272 1.00 0.00 C ATOM 915 C SER A 64 -4.557 -3.045 11.797 1.00 0.00 C ATOM 916 O SER A 64 -5.196 -3.414 10.811 1.00 0.00 O ATOM 917 CB SER A 64 -2.090 -3.345 11.512 1.00 0.00 C ATOM 918 OG SER A 64 -1.488 -2.237 12.159 1.00 0.00 O ATOM 0 H SER A 64 -2.879 -5.681 11.421 1.00 0.00 H new ATOM 0 HA SER A 64 -3.192 -3.629 13.336 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.371 -4.161 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.366 -3.070 10.494 1.00 0.00 H new ATOM 0 HG SER A 64 -0.513 -2.330 12.128 1.00 0.00 H new ATOM 924 N LYS A 65 -4.882 -1.970 12.506 1.00 0.00 N ATOM 925 CA LYS A 65 -6.030 -1.141 12.159 1.00 0.00 C ATOM 926 C LYS A 65 -5.630 -0.034 11.189 1.00 0.00 C ATOM 927 O LYS A 65 -6.299 0.193 10.181 1.00 0.00 O ATOM 928 CB LYS A 65 -6.644 -0.531 13.421 1.00 0.00 C ATOM 929 CG LYS A 65 -8.003 0.107 13.189 1.00 0.00 C ATOM 930 CD LYS A 65 -8.357 1.085 14.296 1.00 0.00 C ATOM 931 CE LYS A 65 -9.548 1.951 13.916 1.00 0.00 C ATOM 932 NZ LYS A 65 -9.181 2.990 12.914 1.00 0.00 N ATOM 0 H LYS A 65 -4.366 -1.652 13.326 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.770 -1.776 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.741 -1.308 14.180 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.963 0.220 13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.003 0.626 12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.765 -0.670 13.131 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.583 0.535 15.210 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.498 1.720 14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.341 1.321 13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.947 2.432 14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.967 3.662 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.332 3.498 13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.987 2.536 11.999 1.00 0.00 H new ATOM 946 N ASP A 66 -4.534 0.650 11.500 1.00 0.00 N ATOM 947 CA ASP A 66 -4.043 1.731 10.654 1.00 0.00 C ATOM 948 C ASP A 66 -3.305 1.178 9.439 1.00 0.00 C ATOM 949 O ASP A 66 -2.235 0.583 9.568 1.00 0.00 O ATOM 950 CB ASP A 66 -3.119 2.652 11.452 1.00 0.00 C ATOM 951 CG ASP A 66 -3.871 3.483 12.473 1.00 0.00 C ATOM 952 OD1 ASP A 66 -4.955 3.045 12.911 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.376 4.572 12.833 1.00 0.00 O ATOM 0 H ASP A 66 -3.969 0.475 12.331 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.902 2.305 10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.364 2.052 11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.591 3.315 10.766 1.00 0.00 H new ATOM 958 N TRP A 67 -3.883 1.379 8.260 1.00 0.00 N ATOM 959 CA TRP A 67 -3.280 0.899 7.022 1.00 0.00 C ATOM 960 C TRP A 67 -2.176 1.840 6.553 1.00 0.00 C ATOM 961 O TRP A 67 -1.210 1.414 5.919 1.00 0.00 O ATOM 962 CB TRP A 67 -4.345 0.760 5.932 1.00 0.00 C ATOM 963 CG TRP A 67 -5.092 2.031 5.666 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.155 2.520 6.371 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.833 2.974 4.620 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.573 3.710 5.826 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.778 4.011 4.752 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.895 3.045 3.587 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.809 5.103 3.887 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.928 4.128 2.730 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.879 5.146 2.885 1.00 0.00 C ATOM 0 H TRP A 67 -4.768 1.871 8.135 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.840 -0.079 7.217 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.869 0.427 5.010 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.054 -0.015 6.223 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.601 2.042 7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.349 4.277 6.166 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.157 2.267 3.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.542 5.888 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.209 4.191 1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.877 5.981 2.200 1.00 0.00 H new ATOM 982 N LYS A 68 -2.324 3.122 6.869 1.00 0.00 N ATOM 983 CA LYS A 68 -1.338 4.125 6.482 1.00 0.00 C ATOM 984 C LYS A 68 -0.019 3.902 7.214 1.00 0.00 C ATOM 985 O LYS A 68 1.037 4.336 6.757 1.00 0.00 O ATOM 986 CB LYS A 68 -1.867 5.530 6.778 1.00 0.00 C ATOM 987 CG LYS A 68 -3.135 5.876 6.017 1.00 0.00 C ATOM 988 CD LYS A 68 -3.815 7.105 6.596 1.00 0.00 C ATOM 989 CE LYS A 68 -5.274 7.187 6.172 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.974 8.333 6.813 1.00 0.00 N ATOM 0 H LYS A 68 -3.118 3.491 7.392 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.159 4.029 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.059 5.619 7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.095 6.259 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.895 6.052 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.822 5.030 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.752 7.078 7.684 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.289 8.002 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.332 7.286 5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.781 6.259 6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.965 8.354 6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.941 8.226 7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.506 9.221 6.542 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.087 3.221 8.354 1.00 0.00 N ATOM 1005 CA GLY A 69 1.109 2.951 9.130 1.00 0.00 C ATOM 1006 C GLY A 69 1.832 1.702 8.666 1.00 0.00 C ATOM 1007 O GLY A 69 3.055 1.700 8.526 1.00 0.00 O ATOM 0 H GLY A 69 -0.949 2.851 8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.784 3.804 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.840 2.842 10.181 1.00 0.00 H new ATOM 1011 N VAL A 70 1.075 0.636 8.426 1.00 0.00 N ATOM 1012 CA VAL A 70 1.651 -0.625 7.975 1.00 0.00 C ATOM 1013 C VAL A 70 2.192 -0.505 6.555 1.00 0.00 C ATOM 1014 O VAL A 70 3.256 -1.038 6.238 1.00 0.00 O ATOM 1015 CB VAL A 70 0.616 -1.765 8.025 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.181 -2.029 9.458 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.582 -1.434 7.148 1.00 0.00 C ATOM 0 H VAL A 70 0.061 0.621 8.536 1.00 0.00 H new ATOM 0 HA VAL A 70 2.471 -0.860 8.654 1.00 0.00 H new ATOM 0 HB VAL A 70 1.081 -2.672 7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.550 -2.837 9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.048 -2.312 10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.267 -1.127 9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.304 -2.250 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.049 -0.515 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.253 -1.300 6.118 1.00 0.00 H new ATOM 1027 N ILE A 71 1.452 0.198 5.704 1.00 0.00 N ATOM 1028 CA ILE A 71 1.858 0.389 4.317 1.00 0.00 C ATOM 1029 C ILE A 71 2.891 1.504 4.195 1.00 0.00 C ATOM 1030 O ILE A 71 2.799 2.526 4.875 1.00 0.00 O ATOM 1031 CB ILE A 71 0.653 0.720 3.418 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.399 -0.388 3.509 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.103 0.913 1.977 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.718 -0.023 2.864 1.00 0.00 C ATOM 0 H ILE A 71 0.569 0.644 5.951 1.00 0.00 H new ATOM 0 HA ILE A 71 2.300 -0.551 3.986 1.00 0.00 H new ATOM 0 HB ILE A 71 0.205 1.651 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.009 -1.288 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.571 -0.629 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.239 1.146 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.819 1.733 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.573 -0.002 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.415 -0.854 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.131 0.859 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.559 0.190 1.807 1.00 0.00 H new ATOM 1046 N ARG A 72 3.873 1.302 3.322 1.00 0.00 N ATOM 1047 CA ARG A 72 4.923 2.291 3.111 1.00 0.00 C ATOM 1048 C ARG A 72 5.127 2.556 1.622 1.00 0.00 C ATOM 1049 O ARG A 72 5.116 1.631 0.809 1.00 0.00 O ATOM 1050 CB ARG A 72 6.234 1.816 3.740 1.00 0.00 C ATOM 1051 CG ARG A 72 6.163 1.658 5.250 1.00 0.00 C ATOM 1052 CD ARG A 72 7.544 1.723 5.883 1.00 0.00 C ATOM 1053 NE ARG A 72 7.508 1.412 7.309 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.553 0.954 7.988 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.711 0.755 7.374 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.442 0.694 9.285 1.00 0.00 N ATOM 0 H ARG A 72 3.963 0.462 2.750 1.00 0.00 H new ATOM 0 HA ARG A 72 4.615 3.221 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.515 0.861 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.023 2.526 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.532 2.442 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.694 0.705 5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.208 1.023 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.962 2.720 5.740 1.00 0.00 H new ATOM 0 HE ARG A 72 6.632 1.554 7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.801 0.954 6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.512 0.403 7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.553 0.846 9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.246 0.342 9.805 1.00 0.00 H new ATOM 1070 N CYS A 73 5.312 3.824 1.273 1.00 0.00 N ATOM 1071 CA CYS A 73 5.517 4.212 -0.118 1.00 0.00 C ATOM 1072 C CYS A 73 6.983 4.064 -0.513 1.00 0.00 C ATOM 1073 O CYS A 73 7.336 3.202 -1.317 1.00 0.00 O ATOM 1074 CB CYS A 73 5.060 5.654 -0.341 1.00 0.00 C ATOM 1075 SG CYS A 73 5.128 6.193 -2.065 1.00 0.00 S ATOM 0 H CYS A 73 5.324 4.601 1.934 1.00 0.00 H new ATOM 0 HA CYS A 73 4.921 3.549 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.037 5.760 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.681 6.318 0.260 1.00 0.00 H new ATOM 0 HG CYS A 73 5.073 5.156 -2.846 1.00 0.00 H new ATOM 1081 N ASN A 74 7.833 4.913 0.057 1.00 0.00 N ATOM 1082 CA ASN A 74 9.261 4.879 -0.238 1.00 0.00 C ATOM 1083 C ASN A 74 10.065 4.535 1.012 1.00 0.00 C ATOM 1084 O ASN A 74 11.271 4.771 1.071 1.00 0.00 O ATOM 1085 CB ASN A 74 9.719 6.226 -0.799 1.00 0.00 C ATOM 1086 CG ASN A 74 9.615 6.288 -2.311 1.00 0.00 C ATOM 1087 OD1 ASN A 74 10.620 6.419 -3.009 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.393 6.195 -2.823 1.00 0.00 N ATOM 0 H ASN A 74 7.557 5.632 0.725 1.00 0.00 H new ATOM 0 HA ASN A 74 9.435 4.105 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.116 7.022 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.751 6.409 -0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.259 6.231 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.588 6.087 -2.206 1.00 0.00 H new ATOM 1095 N GLY A 75 9.388 3.976 2.011 1.00 0.00 N ATOM 1096 CA GLY A 75 10.056 3.608 3.245 1.00 0.00 C ATOM 1097 C GLY A 75 9.410 4.239 4.463 1.00 0.00 C ATOM 1098 O GLY A 75 9.775 3.929 5.597 1.00 0.00 O ATOM 0 H GLY A 75 8.389 3.772 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.044 2.523 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.102 3.912 3.193 1.00 0.00 H new ATOM 1102 N GLU A 76 8.450 5.128 4.229 1.00 0.00 N ATOM 1103 CA GLU A 76 7.755 5.806 5.317 1.00 0.00 C ATOM 1104 C GLU A 76 6.265 5.480 5.297 1.00 0.00 C ATOM 1105 O GLU A 76 5.751 4.925 4.325 1.00 0.00 O ATOM 1106 CB GLU A 76 7.959 7.319 5.218 1.00 0.00 C ATOM 1107 CG GLU A 76 9.337 7.778 5.662 1.00 0.00 C ATOM 1108 CD GLU A 76 10.450 7.178 4.825 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.366 7.261 3.582 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.404 6.627 5.412 1.00 0.00 O ATOM 0 H GLU A 76 8.136 5.395 3.296 1.00 0.00 H new ATOM 0 HA GLU A 76 8.174 5.451 6.259 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.796 7.632 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.205 7.819 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.390 8.865 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.487 7.507 6.707 1.00 0.00 H new ATOM 1117 N THR A 77 5.574 5.828 6.378 1.00 0.00 N ATOM 1118 CA THR A 77 4.143 5.572 6.487 1.00 0.00 C ATOM 1119 C THR A 77 3.337 6.627 5.738 1.00 0.00 C ATOM 1120 O THR A 77 3.567 7.825 5.896 1.00 0.00 O ATOM 1121 CB THR A 77 3.688 5.543 7.958 1.00 0.00 C ATOM 1122 OG1 THR A 77 3.951 6.807 8.577 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.401 4.439 8.724 1.00 0.00 C ATOM 0 H THR A 77 5.983 6.288 7.191 1.00 0.00 H new ATOM 0 HA THR A 77 3.962 4.595 6.039 1.00 0.00 H new ATOM 0 HB THR A 77 2.617 5.344 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.657 6.781 9.512 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.063 4.438 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.175 3.475 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.477 4.611 8.693 1.00 0.00 H new ATOM 1131 N LEU A 78 2.392 6.173 4.922 1.00 0.00 N ATOM 1132 CA LEU A 78 1.550 7.079 4.148 1.00 0.00 C ATOM 1133 C LEU A 78 1.161 8.300 4.974 1.00 0.00 C ATOM 1134 O LEU A 78 1.118 9.420 4.465 1.00 0.00 O ATOM 1135 CB LEU A 78 0.292 6.352 3.666 1.00 0.00 C ATOM 1136 CG LEU A 78 0.548 5.144 2.764 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.756 4.434 2.439 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.257 5.573 1.488 1.00 0.00 C ATOM 0 H LEU A 78 2.190 5.184 4.779 1.00 0.00 H new ATOM 0 HA LEU A 78 2.121 7.416 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.275 6.022 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.336 7.062 3.127 1.00 0.00 H new ATOM 0 HG LEU A 78 1.193 4.446 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.553 3.577 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.224 4.092 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.427 5.122 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.431 4.701 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.637 6.291 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.211 6.035 1.740 1.00 0.00 H new ATOM 1150 N ARG A 79 0.878 8.075 6.254 1.00 0.00 N ATOM 1151 CA ARG A 79 0.491 9.157 7.151 1.00 0.00 C ATOM 1152 C ARG A 79 1.598 10.202 7.253 1.00 0.00 C ATOM 1153 O ARG A 79 1.346 11.402 7.139 1.00 0.00 O ATOM 1154 CB ARG A 79 0.169 8.604 8.541 1.00 0.00 C ATOM 1155 CG ARG A 79 -0.008 9.681 9.599 1.00 0.00 C ATOM 1156 CD ARG A 79 -1.286 10.474 9.378 1.00 0.00 C ATOM 1157 NE ARG A 79 -2.454 9.799 9.939 1.00 0.00 N ATOM 1158 CZ ARG A 79 -3.552 10.435 10.332 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -3.633 11.754 10.225 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -4.573 9.751 10.833 1.00 0.00 N ATOM 0 H ARG A 79 0.910 7.154 6.692 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.399 9.634 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.743 8.009 8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.969 7.931 8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.030 9.222 10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.848 10.356 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.184 11.460 9.832 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.436 10.630 8.310 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.425 8.784 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.851 12.283 9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.478 12.239 10.528 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.515 8.736 10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.416 10.240 11.135 1.00 0.00 H new ATOM 1174 N HIS A 80 2.825 9.738 7.468 1.00 0.00 N ATOM 1175 CA HIS A 80 3.971 10.633 7.584 1.00 0.00 C ATOM 1176 C HIS A 80 4.149 11.456 6.312 1.00 0.00 C ATOM 1177 O HIS A 80 4.370 12.666 6.369 1.00 0.00 O ATOM 1178 CB HIS A 80 5.243 9.833 7.870 1.00 0.00 C ATOM 1179 CG HIS A 80 6.450 10.689 8.099 1.00 0.00 C ATOM 1180 ND1 HIS A 80 6.953 10.962 9.354 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.257 11.334 7.224 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.015 11.738 9.241 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.222 11.978 7.959 1.00 0.00 N ATOM 0 H HIS A 80 3.051 8.748 7.565 1.00 0.00 H new ATOM 0 HA HIS A 80 3.785 11.315 8.414 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.079 9.208 8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.437 9.163 7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.160 11.341 6.148 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.613 12.113 10.058 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.976 12.549 7.577 1.00 0.00 H new ATOM 1192 N LEU A 81 4.053 10.792 5.165 1.00 0.00 N ATOM 1193 CA LEU A 81 4.204 11.463 3.878 1.00 0.00 C ATOM 1194 C LEU A 81 3.114 12.511 3.679 1.00 0.00 C ATOM 1195 O LEU A 81 3.386 13.626 3.237 1.00 0.00 O ATOM 1196 CB LEU A 81 4.160 10.441 2.740 1.00 0.00 C ATOM 1197 CG LEU A 81 5.225 9.346 2.811 1.00 0.00 C ATOM 1198 CD1 LEU A 81 5.009 8.318 1.712 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.617 9.950 2.711 1.00 0.00 C ATOM 0 H LEU A 81 3.871 9.790 5.100 1.00 0.00 H new ATOM 0 HA LEU A 81 5.171 11.966 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.177 9.970 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.267 10.970 1.793 1.00 0.00 H new ATOM 0 HG LEU A 81 5.136 8.842 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.777 7.547 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.026 7.862 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.070 8.807 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.363 9.157 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.717 10.480 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.771 10.647 3.534 1.00 0.00 H new ATOM 1211 N GLU A 82 1.880 12.143 4.009 1.00 0.00 N ATOM 1212 CA GLU A 82 0.749 13.051 3.865 1.00 0.00 C ATOM 1213 C GLU A 82 1.002 14.357 4.613 1.00 0.00 C ATOM 1214 O GLU A 82 0.741 15.442 4.093 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.531 12.393 4.385 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.791 13.186 4.078 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.134 14.181 5.168 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -1.218 14.578 5.919 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.318 14.564 5.272 1.00 0.00 O ATOM 0 H GLU A 82 1.639 11.223 4.378 1.00 0.00 H new ATOM 0 HA GLU A 82 0.629 13.276 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.622 11.399 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.449 12.260 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.661 13.717 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.625 12.498 3.944 1.00 0.00 H new ATOM 1226 N GLN A 83 1.510 14.244 5.836 1.00 0.00 N ATOM 1227 CA GLN A 83 1.797 15.415 6.655 1.00 0.00 C ATOM 1228 C GLN A 83 2.763 16.355 5.942 1.00 0.00 C ATOM 1229 O GLN A 83 2.639 17.577 6.033 1.00 0.00 O ATOM 1230 CB GLN A 83 2.382 14.990 8.003 1.00 0.00 C ATOM 1231 CG GLN A 83 1.357 14.381 8.946 1.00 0.00 C ATOM 1232 CD GLN A 83 1.943 14.039 10.302 1.00 0.00 C ATOM 1233 OE1 GLN A 83 2.673 14.835 10.895 1.00 0.00 O ATOM 1234 NE2 GLN A 83 1.626 12.850 10.801 1.00 0.00 N ATOM 0 H GLN A 83 1.731 13.353 6.281 1.00 0.00 H new ATOM 0 HA GLN A 83 0.861 15.946 6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.180 14.268 7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.835 15.858 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.530 15.079 9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.944 13.479 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.018 12.222 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.991 12.565 11.710 1.00 0.00 H new ATOM 1243 N LYS A 84 3.726 15.779 5.231 1.00 0.00 N ATOM 1244 CA LYS A 84 4.713 16.564 4.500 1.00 0.00 C ATOM 1245 C LYS A 84 4.151 17.038 3.164 1.00 0.00 C ATOM 1246 O LYS A 84 4.892 17.493 2.294 1.00 0.00 O ATOM 1247 CB LYS A 84 5.981 15.739 4.268 1.00 0.00 C ATOM 1248 CG LYS A 84 6.748 15.431 5.542 1.00 0.00 C ATOM 1249 CD LYS A 84 7.566 14.157 5.407 1.00 0.00 C ATOM 1250 CE LYS A 84 8.963 14.444 4.880 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.708 13.192 4.571 1.00 0.00 N ATOM 0 H LYS A 84 3.844 14.769 5.145 1.00 0.00 H new ATOM 0 HA LYS A 84 4.961 17.439 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.711 14.802 3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.634 16.278 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.408 16.265 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.050 15.330 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.636 13.664 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.057 13.466 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.893 15.056 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.517 15.024 5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.655 13.431 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.797 12.619 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.192 12.651 3.848 1.00 0.00 H new ATOM 1265 N GLY A 85 2.835 16.930 3.009 1.00 0.00 N ATOM 1266 CA GLY A 85 2.196 17.353 1.776 1.00 0.00 C ATOM 1267 C GLY A 85 2.644 16.535 0.581 1.00 0.00 C ATOM 1268 O GLY A 85 2.722 17.047 -0.536 1.00 0.00 O ATOM 0 H GLY A 85 2.200 16.557 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.114 17.271 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.419 18.405 1.597 1.00 0.00 H new ATOM 1272 N LEU A 86 2.939 15.261 0.815 1.00 0.00 N ATOM 1273 CA LEU A 86 3.383 14.371 -0.252 1.00 0.00 C ATOM 1274 C LEU A 86 2.231 13.509 -0.757 1.00 0.00 C ATOM 1275 O LEU A 86 2.125 13.233 -1.951 1.00 0.00 O ATOM 1276 CB LEU A 86 4.524 13.479 0.243 1.00 0.00 C ATOM 1277 CG LEU A 86 5.675 14.218 0.925 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.584 13.239 1.650 1.00 0.00 C ATOM 1279 CD2 LEU A 86 6.465 15.028 -0.092 1.00 0.00 C ATOM 0 H LEU A 86 2.879 14.821 1.733 1.00 0.00 H new ATOM 0 HA LEU A 86 3.742 14.985 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.117 12.749 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.922 12.921 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 86 5.255 14.904 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.397 13.784 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.011 12.703 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.996 12.527 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.281 15.548 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.873 14.360 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.808 15.757 -0.566 1.00 0.00 H new ATOM 1291 N LEU A 87 1.368 13.088 0.162 1.00 0.00 N ATOM 1292 CA LEU A 87 0.222 12.257 -0.189 1.00 0.00 C ATOM 1293 C LEU A 87 -1.086 12.991 0.086 1.00 0.00 C ATOM 1294 O LEU A 87 -1.174 13.804 1.006 1.00 0.00 O ATOM 1295 CB LEU A 87 0.259 10.944 0.596 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.753 9.891 0.143 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.267 9.189 -1.115 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.005 8.883 1.254 1.00 0.00 C ATOM 0 H LEU A 87 1.441 13.309 1.155 1.00 0.00 H new ATOM 0 HA LEU A 87 0.277 12.037 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.260 10.520 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.086 11.163 1.650 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.693 10.393 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.000 8.443 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.137 9.920 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.686 8.699 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.728 8.141 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.070 8.387 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.398 9.398 2.130 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.102 12.698 -0.719 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.407 13.331 -0.564 1.00 0.00 C ATOM 1312 C PHE A 88 -4.311 12.500 0.342 1.00 0.00 C ATOM 1313 O PHE A 88 -5.112 13.041 1.103 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.071 13.520 -1.930 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.887 12.338 -2.369 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.313 11.082 -2.469 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.229 12.484 -2.682 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.061 9.992 -2.872 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -6.982 11.398 -3.085 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.397 10.151 -3.182 1.00 0.00 C ATOM 0 H PHE A 88 -2.047 12.027 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.257 14.307 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.712 14.401 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.300 13.716 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.268 10.952 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.691 13.457 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.601 9.017 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.028 11.524 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.983 9.302 -3.500 1.00 0.00 H new ATOM 1330 N SER A 89 -4.174 11.180 0.254 1.00 0.00 N ATOM 1331 CA SER A 89 -4.981 10.273 1.062 1.00 0.00 C ATOM 1332 C SER A 89 -6.465 10.595 0.923 1.00 0.00 C ATOM 1333 O SER A 89 -7.216 10.548 1.896 1.00 0.00 O ATOM 1334 CB SER A 89 -4.564 10.358 2.531 1.00 0.00 C ATOM 1335 OG SER A 89 -5.366 9.513 3.339 1.00 0.00 O ATOM 0 H SER A 89 -3.512 10.716 -0.368 1.00 0.00 H new ATOM 0 HA SER A 89 -4.813 9.258 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.516 10.075 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.651 11.388 2.878 1.00 0.00 H new ATOM 0 HG SER A 89 -6.311 9.736 3.207 1.00 0.00 H new