USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=23 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 74:sc= 0.64 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.105 X(o=0.75,f=0.53) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 28:sc= 0.104 USER MOD Single : A 21 CYS SG : rot -100:sc= -1.14 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -1.72 F(o=-3.1!,f=-1.7) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= 0.00105 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.182) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= -0.166 (180deg=-2.59!) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -0.0158 (180deg=-0.208) USER MOD Single : A 41 CYS SG : rot -120:sc= -1.88 USER MOD Single : A 43 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.26) USER MOD Single : A 44 ASN : amide:sc= -5.75! C(o=-5.8!,f=-16!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -3.68! C(o=-4.9!,f=-3.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -68:sc= 0.802 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00791) USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.614 (180deg=-0.63) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.321 F(o=-1.1,f=-0.32) USER MOD Single : A 83 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.39) USER MOD Single : A 84 LYS NZ :NH3+ -134:sc= 0.558 (180deg=-0.176) USER MOD Single : A 89 SER OG : rot 62:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 161 N PRO A 15 -1.250 9.915 -10.544 1.00 0.00 N ATOM 162 CA PRO A 15 -2.334 9.438 -9.681 1.00 0.00 C ATOM 163 C PRO A 15 -2.009 8.099 -9.027 1.00 0.00 C ATOM 164 O PRO A 15 -2.832 7.530 -8.310 1.00 0.00 O ATOM 165 CB PRO A 15 -3.515 9.291 -10.643 1.00 0.00 C ATOM 166 CG PRO A 15 -2.891 9.076 -11.979 1.00 0.00 C ATOM 167 CD PRO A 15 -1.613 9.868 -11.971 1.00 0.00 C ATOM 0 HA PRO A 15 -2.524 10.120 -8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.151 8.451 -10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.143 10.182 -10.638 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.693 8.018 -12.152 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.553 9.411 -12.777 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.838 9.386 -12.567 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.757 10.867 -12.382 1.00 0.00 H new ATOM 175 N THR A 16 -0.803 7.600 -9.280 1.00 0.00 N ATOM 176 CA THR A 16 -0.369 6.328 -8.717 1.00 0.00 C ATOM 177 C THR A 16 0.873 6.505 -7.851 1.00 0.00 C ATOM 178 O THR A 16 1.769 7.278 -8.185 1.00 0.00 O ATOM 179 CB THR A 16 -0.068 5.298 -9.822 1.00 0.00 C ATOM 180 OG1 THR A 16 0.957 5.796 -10.690 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.319 4.991 -10.631 1.00 0.00 C ATOM 0 H THR A 16 -0.110 8.058 -9.871 1.00 0.00 H new ATOM 0 HA THR A 16 -1.189 5.959 -8.100 1.00 0.00 H new ATOM 0 HB THR A 16 0.273 4.378 -9.347 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.144 5.135 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.082 4.261 -11.405 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.087 4.585 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.686 5.906 -11.095 1.00 0.00 H new ATOM 189 N LEU A 17 0.918 5.782 -6.736 1.00 0.00 N ATOM 190 CA LEU A 17 2.052 5.859 -5.821 1.00 0.00 C ATOM 191 C LEU A 17 2.494 4.466 -5.384 1.00 0.00 C ATOM 192 O LEU A 17 1.678 3.577 -5.141 1.00 0.00 O ATOM 193 CB LEU A 17 1.688 6.700 -4.595 1.00 0.00 C ATOM 194 CG LEU A 17 1.116 8.083 -4.906 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.549 8.722 -3.648 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.184 8.974 -5.523 1.00 0.00 C ATOM 0 H LEU A 17 0.183 5.137 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 17 2.880 6.335 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.961 6.149 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.579 6.822 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 17 0.306 7.967 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.146 9.706 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.246 8.093 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.339 8.826 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.760 9.955 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.014 9.083 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.544 8.523 -6.448 1.00 0.00 H new ATOM 208 N PRO A 18 3.817 4.271 -5.283 1.00 0.00 N ATOM 209 CA PRO A 18 4.398 2.988 -4.874 1.00 0.00 C ATOM 210 C PRO A 18 4.140 2.676 -3.404 1.00 0.00 C ATOM 211 O PRO A 18 4.511 3.449 -2.521 1.00 0.00 O ATOM 212 CB PRO A 18 5.896 3.182 -5.125 1.00 0.00 C ATOM 213 CG PRO A 18 6.107 4.654 -5.035 1.00 0.00 C ATOM 214 CD PRO A 18 4.847 5.286 -5.557 1.00 0.00 C ATOM 0 HA PRO A 18 3.964 2.151 -5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.494 2.650 -4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.186 2.799 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.299 4.958 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.971 4.961 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.629 6.226 -5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.920 5.507 -6.622 1.00 0.00 H new ATOM 222 N VAL A 19 3.502 1.538 -3.149 1.00 0.00 N ATOM 223 CA VAL A 19 3.196 1.123 -1.785 1.00 0.00 C ATOM 224 C VAL A 19 3.661 -0.305 -1.528 1.00 0.00 C ATOM 225 O VAL A 19 3.676 -1.139 -2.434 1.00 0.00 O ATOM 226 CB VAL A 19 1.686 1.220 -1.495 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.210 2.659 -1.617 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.905 0.310 -2.430 1.00 0.00 C ATOM 0 H VAL A 19 3.187 0.887 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 19 3.731 1.801 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 19 1.508 0.890 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.141 2.708 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.748 3.282 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.399 3.020 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.160 0.391 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.087 0.607 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.227 -0.721 -2.287 1.00 0.00 H new ATOM 238 N THR A 20 4.041 -0.583 -0.284 1.00 0.00 N ATOM 239 CA THR A 20 4.508 -1.911 0.093 1.00 0.00 C ATOM 240 C THR A 20 4.113 -2.246 1.527 1.00 0.00 C ATOM 241 O THR A 20 4.349 -1.459 2.445 1.00 0.00 O ATOM 242 CB THR A 20 6.037 -2.030 -0.047 1.00 0.00 C ATOM 243 OG1 THR A 20 6.679 -0.970 0.670 1.00 0.00 O ATOM 244 CG2 THR A 20 6.452 -1.983 -1.510 1.00 0.00 C ATOM 0 H THR A 20 4.034 0.094 0.479 1.00 0.00 H new ATOM 0 HA THR A 20 4.032 -2.618 -0.587 1.00 0.00 H new ATOM 0 HB THR A 20 6.344 -2.989 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.107 -0.684 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.536 -2.069 -1.584 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.985 -2.809 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.132 -1.038 -1.949 1.00 0.00 H new ATOM 252 N CYS A 21 3.513 -3.416 1.713 1.00 0.00 N ATOM 253 CA CYS A 21 3.085 -3.855 3.037 1.00 0.00 C ATOM 254 C CYS A 21 3.670 -5.223 3.371 1.00 0.00 C ATOM 255 O CYS A 21 3.187 -6.249 2.896 1.00 0.00 O ATOM 256 CB CYS A 21 1.559 -3.907 3.111 1.00 0.00 C ATOM 257 SG CYS A 21 0.911 -4.223 4.769 1.00 0.00 S ATOM 0 H CYS A 21 3.312 -4.078 0.964 1.00 0.00 H new ATOM 0 HA CYS A 21 3.452 -3.135 3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.156 -2.961 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.200 -4.685 2.438 1.00 0.00 H new ATOM 0 HG CYS A 21 0.585 -5.477 4.876 1.00 0.00 H new ATOM 263 N GLY A 22 4.716 -5.229 4.193 1.00 0.00 N ATOM 264 CA GLY A 22 5.351 -6.476 4.576 1.00 0.00 C ATOM 265 C GLY A 22 5.773 -7.304 3.378 1.00 0.00 C ATOM 266 O GLY A 22 6.732 -6.964 2.686 1.00 0.00 O ATOM 0 H GLY A 22 5.134 -4.392 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.225 -6.261 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.663 -7.057 5.191 1.00 0.00 H new ATOM 270 N LYS A 23 5.055 -8.395 3.133 1.00 0.00 N ATOM 271 CA LYS A 23 5.360 -9.275 2.011 1.00 0.00 C ATOM 272 C LYS A 23 4.457 -8.970 0.820 1.00 0.00 C ATOM 273 O LYS A 23 4.321 -9.785 -0.092 1.00 0.00 O ATOM 274 CB LYS A 23 5.197 -10.739 2.426 1.00 0.00 C ATOM 275 CG LYS A 23 5.714 -11.037 3.823 1.00 0.00 C ATOM 276 CD LYS A 23 7.233 -11.053 3.864 1.00 0.00 C ATOM 277 CE LYS A 23 7.790 -12.374 3.356 1.00 0.00 C ATOM 278 NZ LYS A 23 9.279 -12.380 3.347 1.00 0.00 N ATOM 0 H LYS A 23 4.258 -8.691 3.696 1.00 0.00 H new ATOM 0 HA LYS A 23 6.394 -9.100 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.142 -11.007 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.723 -11.371 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.338 -10.287 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.330 -12.001 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.623 -10.235 3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.572 -10.883 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.427 -13.187 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.420 -12.561 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.620 -13.297 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.625 -11.620 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.633 -12.227 4.313 1.00 0.00 H new ATOM 292 N ALA A 24 3.845 -7.791 0.834 1.00 0.00 N ATOM 293 CA ALA A 24 2.959 -7.377 -0.247 1.00 0.00 C ATOM 294 C ALA A 24 3.499 -6.140 -0.956 1.00 0.00 C ATOM 295 O ALA A 24 4.019 -5.224 -0.320 1.00 0.00 O ATOM 296 CB ALA A 24 1.560 -7.111 0.290 1.00 0.00 C ATOM 0 H ALA A 24 3.946 -7.105 1.582 1.00 0.00 H new ATOM 0 HA ALA A 24 2.910 -8.188 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.909 -6.803 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.166 -8.020 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.602 -6.320 1.038 1.00 0.00 H new ATOM 302 N LYS A 25 3.373 -6.120 -2.279 1.00 0.00 N ATOM 303 CA LYS A 25 3.848 -4.996 -3.076 1.00 0.00 C ATOM 304 C LYS A 25 2.870 -4.676 -4.202 1.00 0.00 C ATOM 305 O LYS A 25 2.411 -5.570 -4.912 1.00 0.00 O ATOM 306 CB LYS A 25 5.229 -5.304 -3.659 1.00 0.00 C ATOM 307 CG LYS A 25 6.244 -5.742 -2.617 1.00 0.00 C ATOM 308 CD LYS A 25 7.561 -6.148 -3.258 1.00 0.00 C ATOM 309 CE LYS A 25 8.707 -6.095 -2.259 1.00 0.00 C ATOM 310 NZ LYS A 25 9.970 -6.633 -2.835 1.00 0.00 N ATOM 0 H LYS A 25 2.945 -6.870 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 25 3.922 -4.126 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.131 -6.087 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.605 -4.418 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.417 -4.929 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.843 -6.579 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.475 -7.157 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.778 -5.487 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.863 -5.065 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.441 -6.667 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.727 -6.579 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.829 -7.624 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.238 -6.072 -3.668 1.00 0.00 H new ATOM 324 N GLY A 26 2.556 -3.394 -4.361 1.00 0.00 N ATOM 325 CA GLY A 26 1.636 -2.979 -5.404 1.00 0.00 C ATOM 326 C GLY A 26 1.701 -1.489 -5.676 1.00 0.00 C ATOM 327 O GLY A 26 2.760 -0.873 -5.551 1.00 0.00 O ATOM 0 H GLY A 26 2.922 -2.635 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.862 -3.523 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.620 -3.249 -5.116 1.00 0.00 H new ATOM 331 N THR A 27 0.566 -0.907 -6.052 1.00 0.00 N ATOM 332 CA THR A 27 0.499 0.518 -6.345 1.00 0.00 C ATOM 333 C THR A 27 -0.862 1.093 -5.971 1.00 0.00 C ATOM 334 O THR A 27 -1.901 0.518 -6.296 1.00 0.00 O ATOM 335 CB THR A 27 0.770 0.798 -7.836 1.00 0.00 C ATOM 336 OG1 THR A 27 2.045 0.265 -8.210 1.00 0.00 O ATOM 337 CG2 THR A 27 0.736 2.292 -8.120 1.00 0.00 C ATOM 0 H THR A 27 -0.319 -1.402 -6.161 1.00 0.00 H new ATOM 0 HA THR A 27 1.271 1.001 -5.746 1.00 0.00 H new ATOM 0 HB THR A 27 -0.011 0.315 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.209 0.445 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.930 2.466 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.245 2.689 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.499 2.793 -7.524 1.00 0.00 H new ATOM 345 N LEU A 28 -0.851 2.233 -5.288 1.00 0.00 N ATOM 346 CA LEU A 28 -2.086 2.887 -4.870 1.00 0.00 C ATOM 347 C LEU A 28 -2.514 3.940 -5.886 1.00 0.00 C ATOM 348 O LEU A 28 -1.703 4.748 -6.339 1.00 0.00 O ATOM 349 CB LEU A 28 -1.905 3.531 -3.494 1.00 0.00 C ATOM 350 CG LEU A 28 -3.010 4.505 -3.085 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.117 3.776 -2.340 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.441 5.629 -2.232 1.00 0.00 C ATOM 0 H LEU A 28 -0.000 2.723 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.867 2.130 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.843 2.741 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.952 4.060 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.436 4.941 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.894 4.486 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.544 3.008 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.707 3.311 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.242 6.313 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.988 5.210 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.685 6.170 -2.801 1.00 0.00 H new ATOM 364 N PHE A 29 -3.795 3.926 -6.240 1.00 0.00 N ATOM 365 CA PHE A 29 -4.333 4.879 -7.203 1.00 0.00 C ATOM 366 C PHE A 29 -5.250 5.887 -6.518 1.00 0.00 C ATOM 367 O PHE A 29 -6.401 5.582 -6.206 1.00 0.00 O ATOM 368 CB PHE A 29 -5.098 4.144 -8.307 1.00 0.00 C ATOM 369 CG PHE A 29 -4.214 3.336 -9.213 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.458 2.288 -8.711 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.139 3.623 -10.566 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.643 1.544 -9.542 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.326 2.881 -11.403 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.578 1.839 -10.890 1.00 0.00 C ATOM 0 H PHE A 29 -4.480 3.265 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.497 5.419 -7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.836 3.485 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.648 4.872 -8.904 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.507 2.051 -7.659 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.722 4.436 -10.972 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.057 0.732 -9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.276 3.116 -12.456 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.944 1.256 -11.541 1.00 0.00 H new ATOM 384 N GLN A 30 -4.731 7.088 -6.286 1.00 0.00 N ATOM 385 CA GLN A 30 -5.503 8.141 -5.636 1.00 0.00 C ATOM 386 C GLN A 30 -6.918 8.206 -6.201 1.00 0.00 C ATOM 387 O GLN A 30 -7.882 8.411 -5.463 1.00 0.00 O ATOM 388 CB GLN A 30 -4.809 9.493 -5.810 1.00 0.00 C ATOM 389 CG GLN A 30 -3.292 9.408 -5.764 1.00 0.00 C ATOM 390 CD GLN A 30 -2.642 10.741 -5.451 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.216 10.915 -4.205 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.524 11.606 -6.320 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.780 7.356 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.566 7.907 -4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.112 9.927 -6.763 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.151 10.171 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.996 8.678 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.923 9.045 -6.723 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.866 11.430 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.085 12.499 -6.095 1.00 0.00 H new ATOM 401 N GLU A 31 -7.035 8.031 -7.513 1.00 0.00 N ATOM 402 CA GLU A 31 -8.333 8.072 -8.176 1.00 0.00 C ATOM 403 C GLU A 31 -9.248 6.971 -7.649 1.00 0.00 C ATOM 404 O GLU A 31 -10.421 7.208 -7.359 1.00 0.00 O ATOM 405 CB GLU A 31 -8.162 7.927 -9.690 1.00 0.00 C ATOM 406 CG GLU A 31 -7.358 6.703 -10.097 1.00 0.00 C ATOM 407 CD GLU A 31 -6.790 6.818 -11.499 1.00 0.00 C ATOM 408 OE1 GLU A 31 -7.551 7.189 -12.417 1.00 0.00 O ATOM 409 OE2 GLU A 31 -5.587 6.537 -11.677 1.00 0.00 O ATOM 0 H GLU A 31 -6.247 7.860 -8.138 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.792 9.037 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.146 7.876 -10.155 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.672 8.819 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.542 6.557 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.993 5.819 -10.038 1.00 0.00 H new ATOM 416 N LYS A 32 -8.704 5.765 -7.527 1.00 0.00 N ATOM 417 CA LYS A 32 -9.469 4.626 -7.034 1.00 0.00 C ATOM 418 C LYS A 32 -9.532 4.631 -5.510 1.00 0.00 C ATOM 419 O LYS A 32 -10.234 3.822 -4.905 1.00 0.00 O ATOM 420 CB LYS A 32 -8.846 3.317 -7.524 1.00 0.00 C ATOM 421 CG LYS A 32 -9.351 2.876 -8.887 1.00 0.00 C ATOM 422 CD LYS A 32 -8.336 1.999 -9.601 1.00 0.00 C ATOM 423 CE LYS A 32 -8.689 1.820 -11.070 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.596 0.658 -11.285 1.00 0.00 N ATOM 0 H LYS A 32 -7.735 5.551 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.484 4.707 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.763 3.434 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.053 2.531 -6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.287 2.330 -8.770 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.568 3.753 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.345 2.444 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.290 1.024 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.166 2.727 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.776 1.680 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.201 0.838 -12.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.030 -0.198 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.191 0.522 -10.443 1.00 0.00 H new ATOM 438 N LEU A 33 -8.795 5.550 -4.895 1.00 0.00 N ATOM 439 CA LEU A 33 -8.769 5.662 -3.441 1.00 0.00 C ATOM 440 C LEU A 33 -9.739 6.737 -2.961 1.00 0.00 C ATOM 441 O LEU A 33 -10.375 6.593 -1.917 1.00 0.00 O ATOM 442 CB LEU A 33 -7.352 5.985 -2.960 1.00 0.00 C ATOM 443 CG LEU A 33 -7.166 5.972 -1.442 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.338 4.564 -0.894 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.800 6.528 -1.069 1.00 0.00 C ATOM 0 H LEU A 33 -8.208 6.228 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.079 4.705 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.662 5.266 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.072 6.969 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.930 6.608 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.202 4.575 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.338 4.201 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.597 3.905 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.684 6.512 0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.021 5.918 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.714 7.554 -1.428 1.00 0.00 H new ATOM 457 N LYS A 34 -9.847 7.814 -3.730 1.00 0.00 N ATOM 458 CA LYS A 34 -10.740 8.914 -3.386 1.00 0.00 C ATOM 459 C LYS A 34 -12.173 8.419 -3.218 1.00 0.00 C ATOM 460 O LYS A 34 -12.914 8.914 -2.368 1.00 0.00 O ATOM 461 CB LYS A 34 -10.687 9.999 -4.464 1.00 0.00 C ATOM 462 CG LYS A 34 -10.778 9.454 -5.879 1.00 0.00 C ATOM 463 CD LYS A 34 -11.358 10.482 -6.836 1.00 0.00 C ATOM 464 CE LYS A 34 -10.319 11.518 -7.238 1.00 0.00 C ATOM 465 NZ LYS A 34 -10.306 12.680 -6.308 1.00 0.00 N ATOM 0 H LYS A 34 -9.327 7.949 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.406 9.336 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.504 10.702 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.758 10.560 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.786 9.157 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.399 8.558 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.736 9.979 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.207 10.979 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.332 11.055 -7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.525 11.865 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.857 13.493 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.282 12.927 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.770 12.433 -5.451 1.00 0.00 H new ATOM 479 N GLN A 35 -12.556 7.441 -4.031 1.00 0.00 N ATOM 480 CA GLN A 35 -13.900 6.879 -3.971 1.00 0.00 C ATOM 481 C GLN A 35 -14.148 6.204 -2.626 1.00 0.00 C ATOM 482 O GLN A 35 -15.226 6.330 -2.046 1.00 0.00 O ATOM 483 CB GLN A 35 -14.107 5.874 -5.105 1.00 0.00 C ATOM 484 CG GLN A 35 -13.973 6.485 -6.491 1.00 0.00 C ATOM 485 CD GLN A 35 -14.847 5.795 -7.520 1.00 0.00 C ATOM 486 OE1 GLN A 35 -14.924 4.472 -7.440 1.00 0.00 O flip ATOM 487 NE2 GLN A 35 -15.447 6.444 -8.378 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.955 7.021 -4.740 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.613 7.695 -4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.382 5.067 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.097 5.428 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.237 7.541 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.932 6.430 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.359 7.460 -8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.031 5.965 -9.063 1.00 0.00 H new ATOM 496 N GLY A 36 -13.143 5.486 -2.135 1.00 0.00 N ATOM 497 CA GLY A 36 -13.272 4.801 -0.863 1.00 0.00 C ATOM 498 C GLY A 36 -12.233 3.712 -0.682 1.00 0.00 C ATOM 499 O GLY A 36 -12.177 2.762 -1.462 1.00 0.00 O ATOM 0 H GLY A 36 -12.241 5.367 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.180 5.525 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.268 4.364 -0.788 1.00 0.00 H new ATOM 503 N ALA A 37 -11.407 3.850 0.350 1.00 0.00 N ATOM 504 CA ALA A 37 -10.365 2.871 0.631 1.00 0.00 C ATOM 505 C ALA A 37 -10.886 1.449 0.452 1.00 0.00 C ATOM 506 O ALA A 37 -10.194 0.587 -0.091 1.00 0.00 O ATOM 507 CB ALA A 37 -9.824 3.064 2.040 1.00 0.00 C ATOM 0 H ALA A 37 -11.440 4.631 1.005 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.554 3.026 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.046 2.326 2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.405 4.066 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.632 2.939 2.760 1.00 0.00 H new ATOM 513 N SER A 38 -12.109 1.209 0.913 1.00 0.00 N ATOM 514 CA SER A 38 -12.721 -0.110 0.809 1.00 0.00 C ATOM 515 C SER A 38 -12.616 -0.646 -0.616 1.00 0.00 C ATOM 516 O SER A 38 -12.366 -1.833 -0.829 1.00 0.00 O ATOM 517 CB SER A 38 -14.189 -0.050 1.236 1.00 0.00 C ATOM 518 OG SER A 38 -14.310 0.350 2.590 1.00 0.00 O ATOM 0 H SER A 38 -12.696 1.912 1.363 1.00 0.00 H new ATOM 0 HA SER A 38 -12.184 -0.786 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.729 0.649 0.597 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.651 -1.028 1.100 1.00 0.00 H new ATOM 0 HG SER A 38 -15.258 0.382 2.838 1.00 0.00 H new ATOM 524 N LYS A 39 -12.809 0.237 -1.589 1.00 0.00 N ATOM 525 CA LYS A 39 -12.735 -0.144 -2.995 1.00 0.00 C ATOM 526 C LYS A 39 -11.312 -0.535 -3.379 1.00 0.00 C ATOM 527 O LYS A 39 -10.344 0.054 -2.898 1.00 0.00 O ATOM 528 CB LYS A 39 -13.216 1.007 -3.882 1.00 0.00 C ATOM 529 CG LYS A 39 -14.701 1.299 -3.749 1.00 0.00 C ATOM 530 CD LYS A 39 -15.286 1.820 -5.050 1.00 0.00 C ATOM 531 CE LYS A 39 -16.673 2.407 -4.842 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.659 3.530 -3.864 1.00 0.00 N ATOM 0 H LYS A 39 -13.018 1.223 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.383 -1.007 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.654 1.907 -3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.993 0.770 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.226 0.391 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.859 2.033 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.627 2.581 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.338 1.010 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.064 2.761 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.348 1.627 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.090 3.218 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.677 3.826 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.199 4.331 -4.248 1.00 0.00 H new ATOM 546 N LYS A 40 -11.191 -1.532 -4.248 1.00 0.00 N ATOM 547 CA LYS A 40 -9.887 -2.001 -4.699 1.00 0.00 C ATOM 548 C LYS A 40 -9.121 -0.886 -5.403 1.00 0.00 C ATOM 549 O LYS A 40 -9.434 -0.525 -6.538 1.00 0.00 O ATOM 550 CB LYS A 40 -10.049 -3.196 -5.642 1.00 0.00 C ATOM 551 CG LYS A 40 -10.965 -4.279 -5.099 1.00 0.00 C ATOM 552 CD LYS A 40 -10.190 -5.322 -4.311 1.00 0.00 C ATOM 553 CE LYS A 40 -11.026 -6.567 -4.061 1.00 0.00 C ATOM 554 NZ LYS A 40 -11.245 -7.349 -5.310 1.00 0.00 N ATOM 0 H LYS A 40 -11.982 -2.032 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.318 -2.312 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.441 -2.845 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.068 -3.627 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.724 -3.828 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.489 -4.761 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.286 -5.593 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.873 -4.898 -3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.529 -7.195 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.989 -6.279 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.574 -8.305 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.962 -6.875 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.353 -7.414 -5.840 1.00 0.00 H new ATOM 568 N CYS A 41 -8.116 -0.344 -4.723 1.00 0.00 N ATOM 569 CA CYS A 41 -7.305 0.731 -5.284 1.00 0.00 C ATOM 570 C CYS A 41 -5.849 0.299 -5.421 1.00 0.00 C ATOM 571 O CYS A 41 -5.117 0.809 -6.269 1.00 0.00 O ATOM 572 CB CYS A 41 -7.399 1.980 -4.406 1.00 0.00 C ATOM 573 SG CYS A 41 -6.945 1.703 -2.678 1.00 0.00 S ATOM 0 H CYS A 41 -7.844 -0.631 -3.783 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.691 0.964 -6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.752 2.753 -4.821 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.419 2.363 -4.446 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.955 1.993 -1.912 1.00 0.00 H new ATOM 579 N ILE A 42 -5.436 -0.644 -4.580 1.00 0.00 N ATOM 580 CA ILE A 42 -4.067 -1.144 -4.607 1.00 0.00 C ATOM 581 C ILE A 42 -3.901 -2.235 -5.659 1.00 0.00 C ATOM 582 O ILE A 42 -4.369 -3.359 -5.480 1.00 0.00 O ATOM 583 CB ILE A 42 -3.644 -1.701 -3.235 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.731 -0.608 -2.168 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.234 -2.268 -3.305 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.559 -1.126 -0.757 1.00 0.00 C ATOM 0 H ILE A 42 -6.030 -1.077 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.427 -0.298 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.325 -2.506 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.967 0.144 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.697 -0.109 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.950 -2.658 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.201 -3.072 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.539 -1.481 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.632 -0.297 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.339 -1.856 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.582 -1.599 -0.660 1.00 0.00 H new ATOM 598 N GLN A 43 -3.231 -1.896 -6.756 1.00 0.00 N ATOM 599 CA GLN A 43 -3.003 -2.848 -7.836 1.00 0.00 C ATOM 600 C GLN A 43 -1.657 -3.546 -7.671 1.00 0.00 C ATOM 601 O GLN A 43 -0.607 -2.904 -7.692 1.00 0.00 O ATOM 602 CB GLN A 43 -3.060 -2.138 -9.190 1.00 0.00 C ATOM 603 CG GLN A 43 -3.263 -3.082 -10.364 1.00 0.00 C ATOM 604 CD GLN A 43 -3.171 -2.377 -11.703 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.257 -1.588 -11.940 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.121 -2.660 -12.587 1.00 0.00 N ATOM 0 H GLN A 43 -2.837 -0.970 -6.920 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.790 -3.601 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.871 -1.410 -9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.135 -1.581 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.515 -3.873 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.238 -3.561 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.860 -3.321 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.111 -2.217 -13.505 1.00 0.00 H new ATOM 615 N ASN A 44 -1.696 -4.864 -7.506 1.00 0.00 N ATOM 616 CA ASN A 44 -0.479 -5.650 -7.336 1.00 0.00 C ATOM 617 C ASN A 44 0.248 -5.821 -8.667 1.00 0.00 C ATOM 618 O ASN A 44 -0.254 -5.418 -9.716 1.00 0.00 O ATOM 619 CB ASN A 44 -0.810 -7.021 -6.743 1.00 0.00 C ATOM 620 CG ASN A 44 -1.489 -7.935 -7.745 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.637 -7.589 -8.917 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.904 -9.110 -7.287 1.00 0.00 N ATOM 0 H ASN A 44 -2.557 -5.410 -7.486 1.00 0.00 H new ATOM 0 HA ASN A 44 0.177 -5.114 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.107 -7.492 -6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.458 -6.892 -5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.367 -9.768 -7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.760 -9.355 -6.307 1.00 0.00 H new ATOM 629 N GLU A 45 1.433 -6.422 -8.615 1.00 0.00 N ATOM 630 CA GLU A 45 2.229 -6.646 -9.816 1.00 0.00 C ATOM 631 C GLU A 45 1.460 -7.490 -10.828 1.00 0.00 C ATOM 632 O GLU A 45 1.719 -7.427 -12.029 1.00 0.00 O ATOM 633 CB GLU A 45 3.548 -7.333 -9.459 1.00 0.00 C ATOM 634 CG GLU A 45 4.363 -6.584 -8.418 1.00 0.00 C ATOM 635 CD GLU A 45 5.321 -5.585 -9.036 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.108 -5.986 -9.920 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.286 -4.402 -8.637 1.00 0.00 O ATOM 0 H GLU A 45 1.862 -6.762 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 45 2.443 -5.677 -10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.337 -8.336 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.146 -7.446 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.688 -6.063 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.926 -7.300 -7.819 1.00 0.00 H new ATOM 644 N ALA A 46 0.513 -8.280 -10.333 1.00 0.00 N ATOM 645 CA ALA A 46 -0.295 -9.136 -11.193 1.00 0.00 C ATOM 646 C ALA A 46 -1.475 -8.369 -11.778 1.00 0.00 C ATOM 647 O ALA A 46 -2.309 -8.936 -12.482 1.00 0.00 O ATOM 648 CB ALA A 46 -0.784 -10.351 -10.418 1.00 0.00 C ATOM 0 H ALA A 46 0.286 -8.345 -9.341 1.00 0.00 H new ATOM 0 HA ALA A 46 0.330 -9.473 -12.020 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.386 -10.982 -11.072 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.072 -10.919 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.389 -10.024 -9.572 1.00 0.00 H new ATOM 654 N GLY A 47 -1.540 -7.074 -11.482 1.00 0.00 N ATOM 655 CA GLY A 47 -2.623 -6.250 -11.986 1.00 0.00 C ATOM 656 C GLY A 47 -3.894 -6.403 -11.174 1.00 0.00 C ATOM 657 O GLY A 47 -4.798 -5.572 -11.263 1.00 0.00 O ATOM 0 H GLY A 47 -0.861 -6.581 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.314 -5.205 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.824 -6.515 -13.024 1.00 0.00 H new ATOM 661 N ASP A 48 -3.964 -7.467 -10.382 1.00 0.00 N ATOM 662 CA ASP A 48 -5.134 -7.726 -9.552 1.00 0.00 C ATOM 663 C ASP A 48 -5.264 -6.677 -8.452 1.00 0.00 C ATOM 664 O ASP A 48 -4.429 -6.602 -7.551 1.00 0.00 O ATOM 665 CB ASP A 48 -5.048 -9.122 -8.933 1.00 0.00 C ATOM 666 CG ASP A 48 -5.096 -10.222 -9.977 1.00 0.00 C ATOM 667 OD1 ASP A 48 -6.206 -10.540 -10.452 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.024 -10.764 -10.317 1.00 0.00 O ATOM 0 H ASP A 48 -3.224 -8.164 -10.297 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.018 -7.672 -10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.123 -9.207 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.870 -9.256 -8.230 1.00 0.00 H new ATOM 673 N TRP A 49 -6.313 -5.867 -8.535 1.00 0.00 N ATOM 674 CA TRP A 49 -6.551 -4.821 -7.547 1.00 0.00 C ATOM 675 C TRP A 49 -6.902 -5.422 -6.191 1.00 0.00 C ATOM 676 O TRP A 49 -7.488 -6.502 -6.113 1.00 0.00 O ATOM 677 CB TRP A 49 -7.675 -3.895 -8.015 1.00 0.00 C ATOM 678 CG TRP A 49 -7.393 -3.238 -9.333 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.565 -3.783 -10.573 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.889 -1.914 -9.540 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.197 -2.877 -11.539 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.780 -1.723 -10.931 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.521 -0.871 -8.686 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.317 -0.532 -11.485 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -6.062 0.310 -9.237 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.964 0.472 -10.625 1.00 0.00 C ATOM 0 H TRP A 49 -7.012 -5.914 -9.276 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.634 -4.242 -7.440 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.599 -4.468 -8.093 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.840 -3.125 -7.261 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.935 -4.779 -10.766 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.229 -3.038 -12.546 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.594 -0.986 -7.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.239 -0.405 -12.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.774 1.122 -8.586 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.603 1.408 -11.024 1.00 0.00 H new ATOM 697 N LEU A 50 -6.542 -4.716 -5.124 1.00 0.00 N ATOM 698 CA LEU A 50 -6.821 -5.181 -3.770 1.00 0.00 C ATOM 699 C LEU A 50 -7.244 -4.022 -2.873 1.00 0.00 C ATOM 700 O LEU A 50 -6.703 -2.920 -2.966 1.00 0.00 O ATOM 701 CB LEU A 50 -5.588 -5.872 -3.183 1.00 0.00 C ATOM 702 CG LEU A 50 -5.101 -7.095 -3.960 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.600 -7.273 -3.791 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.841 -8.344 -3.506 1.00 0.00 C ATOM 0 H LEU A 50 -6.057 -3.820 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.642 -5.896 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.775 -5.147 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.813 -6.176 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.311 -6.936 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.272 -8.149 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.084 -6.389 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.366 -7.410 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.482 -9.205 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.663 -8.506 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.910 -8.217 -3.680 1.00 0.00 H new ATOM 716 N THR A 51 -8.217 -4.279 -2.004 1.00 0.00 N ATOM 717 CA THR A 51 -8.714 -3.258 -1.091 1.00 0.00 C ATOM 718 C THR A 51 -7.671 -2.908 -0.036 1.00 0.00 C ATOM 719 O THR A 51 -6.931 -3.774 0.431 1.00 0.00 O ATOM 720 CB THR A 51 -10.006 -3.715 -0.387 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.723 -4.807 0.495 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.056 -4.137 -1.404 1.00 0.00 C ATOM 0 H THR A 51 -8.676 -5.185 -1.914 1.00 0.00 H new ATOM 0 HA THR A 51 -8.929 -2.375 -1.692 1.00 0.00 H new ATOM 0 HB THR A 51 -10.397 -2.876 0.188 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.549 -5.091 0.940 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.959 -4.456 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.290 -3.295 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.672 -4.963 -2.002 1.00 0.00 H new ATOM 730 N VAL A 52 -7.617 -1.633 0.336 1.00 0.00 N ATOM 731 CA VAL A 52 -6.665 -1.168 1.338 1.00 0.00 C ATOM 732 C VAL A 52 -6.427 -2.231 2.404 1.00 0.00 C ATOM 733 O VAL A 52 -5.328 -2.346 2.948 1.00 0.00 O ATOM 734 CB VAL A 52 -7.152 0.125 2.018 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.223 0.512 3.158 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.261 1.252 1.002 1.00 0.00 C ATOM 0 H VAL A 52 -8.222 -0.903 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.730 -0.965 0.816 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.143 -0.055 2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.583 1.428 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.201 -0.289 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.218 0.675 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.606 2.158 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.284 1.434 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.971 0.973 0.223 1.00 0.00 H new ATOM 746 N LYS A 53 -7.464 -3.008 2.699 1.00 0.00 N ATOM 747 CA LYS A 53 -7.369 -4.065 3.699 1.00 0.00 C ATOM 748 C LYS A 53 -6.682 -5.299 3.123 1.00 0.00 C ATOM 749 O LYS A 53 -5.691 -5.780 3.671 1.00 0.00 O ATOM 750 CB LYS A 53 -8.762 -4.436 4.213 1.00 0.00 C ATOM 751 CG LYS A 53 -8.764 -4.965 5.636 1.00 0.00 C ATOM 752 CD LYS A 53 -10.106 -5.578 6.001 1.00 0.00 C ATOM 753 CE LYS A 53 -10.002 -6.447 7.246 1.00 0.00 C ATOM 754 NZ LYS A 53 -11.340 -6.743 7.828 1.00 0.00 N ATOM 0 H LYS A 53 -8.381 -2.925 2.259 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.770 -3.692 4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.405 -3.558 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.195 -5.189 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.979 -5.713 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.533 -4.154 6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.835 -4.786 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.472 -6.177 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.500 -7.382 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.385 -5.943 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.227 -7.337 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.809 -5.853 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.920 -7.246 7.127 1.00 0.00 H new ATOM 768 N GLU A 54 -7.215 -5.805 2.015 1.00 0.00 N ATOM 769 CA GLU A 54 -6.651 -6.982 1.366 1.00 0.00 C ATOM 770 C GLU A 54 -5.133 -6.871 1.260 1.00 0.00 C ATOM 771 O GLU A 54 -4.405 -7.800 1.610 1.00 0.00 O ATOM 772 CB GLU A 54 -7.259 -7.165 -0.026 1.00 0.00 C ATOM 773 CG GLU A 54 -8.604 -7.872 -0.016 1.00 0.00 C ATOM 774 CD GLU A 54 -8.930 -8.526 -1.345 1.00 0.00 C ATOM 775 OE1 GLU A 54 -7.987 -8.969 -2.034 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.126 -8.594 -1.695 1.00 0.00 O ATOM 0 H GLU A 54 -8.036 -5.418 1.549 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.892 -7.852 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.376 -6.187 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.564 -7.733 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.606 -8.630 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.386 -7.154 0.233 1.00 0.00 H new ATOM 783 N PHE A 55 -4.662 -5.728 0.773 1.00 0.00 N ATOM 784 CA PHE A 55 -3.231 -5.494 0.618 1.00 0.00 C ATOM 785 C PHE A 55 -2.477 -5.879 1.887 1.00 0.00 C ATOM 786 O PHE A 55 -1.419 -6.506 1.828 1.00 0.00 O ATOM 787 CB PHE A 55 -2.966 -4.026 0.279 1.00 0.00 C ATOM 788 CG PHE A 55 -1.537 -3.743 -0.085 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.903 -4.474 -1.077 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.826 -2.747 0.565 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.412 -4.216 -1.415 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.489 -2.484 0.231 1.00 0.00 C ATOM 793 CZ PHE A 55 1.109 -3.221 -0.759 1.00 0.00 C ATOM 0 H PHE A 55 -5.251 -4.949 0.479 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.873 -6.118 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.609 -3.731 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.244 -3.408 1.133 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.443 -5.255 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.305 -2.169 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.894 -4.792 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.031 -1.703 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.137 -3.019 -1.020 1.00 0.00 H new ATOM 803 N LEU A 56 -3.029 -5.499 3.034 1.00 0.00 N ATOM 804 CA LEU A 56 -2.409 -5.804 4.319 1.00 0.00 C ATOM 805 C LEU A 56 -2.306 -7.310 4.530 1.00 0.00 C ATOM 806 O LEU A 56 -1.232 -7.835 4.822 1.00 0.00 O ATOM 807 CB LEU A 56 -3.211 -5.170 5.458 1.00 0.00 C ATOM 808 CG LEU A 56 -3.643 -3.723 5.219 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.483 -3.217 6.381 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.428 -2.833 5.011 1.00 0.00 C ATOM 0 H LEU A 56 -3.904 -4.979 3.101 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.402 -5.387 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.101 -5.774 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.613 -5.209 6.368 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.253 -3.690 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.781 -2.186 6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.372 -3.838 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.899 -3.264 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.754 -1.807 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.793 -2.871 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.865 -3.182 4.145 1.00 0.00 H new ATOM 822 N ASN A 57 -3.432 -8.001 4.381 1.00 0.00 N ATOM 823 CA ASN A 57 -3.470 -9.448 4.556 1.00 0.00 C ATOM 824 C ASN A 57 -2.340 -10.120 3.781 1.00 0.00 C ATOM 825 O ASN A 57 -1.721 -11.068 4.264 1.00 0.00 O ATOM 826 CB ASN A 57 -4.819 -10.004 4.096 1.00 0.00 C ATOM 827 CG ASN A 57 -5.876 -9.928 5.181 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.214 -8.711 5.593 1.00 0.00 O flip ATOM 829 ND2 ASN A 57 -6.382 -10.950 5.643 1.00 0.00 N flip ATOM 0 H ASN A 57 -4.330 -7.582 4.139 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.338 -9.663 5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.159 -9.448 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.695 -11.041 3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.092 -11.864 5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.092 -10.883 6.373 1.00 0.00 H new ATOM 836 N GLU A 58 -2.077 -9.620 2.578 1.00 0.00 N ATOM 837 CA GLU A 58 -1.021 -10.172 1.736 1.00 0.00 C ATOM 838 C GLU A 58 0.318 -10.164 2.468 1.00 0.00 C ATOM 839 O GLU A 58 1.090 -11.118 2.383 1.00 0.00 O ATOM 840 CB GLU A 58 -0.909 -9.377 0.434 1.00 0.00 C ATOM 841 CG GLU A 58 -1.786 -9.913 -0.685 1.00 0.00 C ATOM 842 CD GLU A 58 -1.452 -11.345 -1.053 1.00 0.00 C ATOM 843 OE1 GLU A 58 -0.338 -11.581 -1.566 1.00 0.00 O ATOM 844 OE2 GLU A 58 -2.304 -12.230 -0.829 1.00 0.00 O ATOM 0 H GLU A 58 -2.580 -8.835 2.164 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.280 -11.204 1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.177 -8.339 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.130 -9.382 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.831 -9.854 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.673 -9.280 -1.565 1.00 0.00 H new ATOM 851 N GLY A 59 0.587 -9.078 3.186 1.00 0.00 N ATOM 852 CA GLY A 59 1.833 -8.965 3.921 1.00 0.00 C ATOM 853 C GLY A 59 1.769 -9.639 5.278 1.00 0.00 C ATOM 854 O GLY A 59 2.755 -10.210 5.742 1.00 0.00 O ATOM 0 H GLY A 59 -0.036 -8.275 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.638 -9.409 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.079 -7.911 4.053 1.00 0.00 H new ATOM 858 N GLY A 60 0.605 -9.570 5.917 1.00 0.00 N ATOM 859 CA GLY A 60 0.438 -10.181 7.223 1.00 0.00 C ATOM 860 C GLY A 60 0.086 -9.170 8.295 1.00 0.00 C ATOM 861 O GLY A 60 0.421 -9.354 9.465 1.00 0.00 O ATOM 0 H GLY A 60 -0.225 -9.102 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.345 -10.937 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.358 -10.695 7.501 1.00 0.00 H new ATOM 865 N ARG A 61 -0.590 -8.098 7.896 1.00 0.00 N ATOM 866 CA ARG A 61 -0.986 -7.052 8.831 1.00 0.00 C ATOM 867 C ARG A 61 -2.505 -6.931 8.902 1.00 0.00 C ATOM 868 O ARG A 61 -3.037 -5.921 9.361 1.00 0.00 O ATOM 869 CB ARG A 61 -0.376 -5.711 8.418 1.00 0.00 C ATOM 870 CG ARG A 61 0.983 -5.442 9.044 1.00 0.00 C ATOM 871 CD ARG A 61 2.109 -6.022 8.203 1.00 0.00 C ATOM 872 NE ARG A 61 3.356 -6.128 8.956 1.00 0.00 N ATOM 873 CZ ARG A 61 3.654 -7.155 9.743 1.00 0.00 C ATOM 874 NH1 ARG A 61 2.799 -8.160 9.880 1.00 0.00 N ATOM 875 NH2 ARG A 61 4.809 -7.179 10.395 1.00 0.00 N ATOM 0 H ARG A 61 -0.875 -7.931 6.931 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.614 -7.324 9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.278 -5.685 7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.060 -4.909 8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.127 -4.367 9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.016 -5.873 10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.820 -7.008 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.267 -5.394 7.326 1.00 0.00 H new ATOM 0 HE ARG A 61 4.035 -5.372 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.910 -8.145 9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.031 -8.948 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.469 -6.408 10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.037 -7.968 10.999 1.00 0.00 H new ATOM 889 N ALA A 62 -3.198 -7.969 8.443 1.00 0.00 N ATOM 890 CA ALA A 62 -4.655 -7.980 8.455 1.00 0.00 C ATOM 891 C ALA A 62 -5.197 -7.473 9.787 1.00 0.00 C ATOM 892 O ALA A 62 -6.155 -6.700 9.827 1.00 0.00 O ATOM 893 CB ALA A 62 -5.175 -9.381 8.171 1.00 0.00 C ATOM 0 H ALA A 62 -2.773 -8.813 8.058 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.005 -7.309 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.265 -9.374 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.825 -9.707 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.808 -10.067 8.934 1.00 0.00 H new ATOM 899 N THR A 63 -4.578 -7.913 10.878 1.00 0.00 N ATOM 900 CA THR A 63 -4.999 -7.505 12.213 1.00 0.00 C ATOM 901 C THR A 63 -4.857 -5.999 12.398 1.00 0.00 C ATOM 902 O THR A 63 -5.622 -5.380 13.138 1.00 0.00 O ATOM 903 CB THR A 63 -4.184 -8.224 13.304 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.556 -7.734 14.597 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.692 -8.019 13.088 1.00 0.00 C ATOM 0 H THR A 63 -3.783 -8.552 10.863 1.00 0.00 H new ATOM 0 HA THR A 63 -6.048 -7.783 12.312 1.00 0.00 H new ATOM 0 HB THR A 63 -4.401 -9.291 13.245 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.034 -8.197 15.285 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.137 -8.536 13.871 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.407 -8.420 12.115 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.462 -6.954 13.123 1.00 0.00 H new ATOM 913 N SER A 64 -3.874 -5.414 11.721 1.00 0.00 N ATOM 914 CA SER A 64 -3.630 -3.980 11.814 1.00 0.00 C ATOM 915 C SER A 64 -4.889 -3.191 11.467 1.00 0.00 C ATOM 916 O SER A 64 -5.682 -3.605 10.622 1.00 0.00 O ATOM 917 CB SER A 64 -2.487 -3.574 10.881 1.00 0.00 C ATOM 918 OG SER A 64 -2.962 -3.332 9.568 1.00 0.00 O ATOM 0 H SER A 64 -3.234 -5.911 11.102 1.00 0.00 H new ATOM 0 HA SER A 64 -3.350 -3.750 12.842 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.000 -2.678 11.266 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.734 -4.362 10.859 1.00 0.00 H new ATOM 0 HG SER A 64 -3.260 -4.175 9.167 1.00 0.00 H new ATOM 924 N LYS A 65 -5.065 -2.051 12.126 1.00 0.00 N ATOM 925 CA LYS A 65 -6.226 -1.201 11.889 1.00 0.00 C ATOM 926 C LYS A 65 -5.882 -0.064 10.932 1.00 0.00 C ATOM 927 O LYS A 65 -6.585 0.166 9.948 1.00 0.00 O ATOM 928 CB LYS A 65 -6.744 -0.629 13.211 1.00 0.00 C ATOM 929 CG LYS A 65 -8.124 -0.003 13.104 1.00 0.00 C ATOM 930 CD LYS A 65 -9.196 -1.054 12.866 1.00 0.00 C ATOM 931 CE LYS A 65 -10.568 -0.556 13.293 1.00 0.00 C ATOM 932 NZ LYS A 65 -11.022 0.596 12.465 1.00 0.00 N ATOM 0 H LYS A 65 -4.418 -1.694 12.829 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.005 -1.813 11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.772 -1.425 13.955 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.041 0.121 13.573 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.348 0.546 14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.134 0.720 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.217 -1.321 11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.948 -1.960 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.290 -1.368 13.213 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.537 -0.260 14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.982 0.874 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.374 1.398 12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.028 0.322 11.462 1.00 0.00 H new ATOM 946 N ASP A 66 -4.796 0.642 11.226 1.00 0.00 N ATOM 947 CA ASP A 66 -4.357 1.753 10.390 1.00 0.00 C ATOM 948 C ASP A 66 -3.485 1.257 9.240 1.00 0.00 C ATOM 949 O ASP A 66 -2.363 0.798 9.453 1.00 0.00 O ATOM 950 CB ASP A 66 -3.586 2.776 11.226 1.00 0.00 C ATOM 951 CG ASP A 66 -4.337 3.183 12.479 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.237 4.043 12.378 1.00 0.00 O ATOM 953 OD2 ASP A 66 -4.026 2.640 13.559 1.00 0.00 O ATOM 0 H ASP A 66 -4.203 0.465 12.037 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.242 2.231 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.619 2.358 11.505 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.388 3.661 10.621 1.00 0.00 H new ATOM 958 N TRP A 67 -4.009 1.351 8.024 1.00 0.00 N ATOM 959 CA TRP A 67 -3.278 0.911 6.841 1.00 0.00 C ATOM 960 C TRP A 67 -2.182 1.905 6.476 1.00 0.00 C ATOM 961 O TRP A 67 -1.169 1.538 5.881 1.00 0.00 O ATOM 962 CB TRP A 67 -4.236 0.733 5.661 1.00 0.00 C ATOM 963 CG TRP A 67 -5.083 1.941 5.397 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.237 2.289 6.040 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.843 2.959 4.420 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.729 3.462 5.520 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.892 3.894 4.525 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.844 3.173 3.467 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.968 5.022 3.713 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.921 4.293 2.661 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.976 5.207 2.788 1.00 0.00 C ATOM 0 H TRP A 67 -4.937 1.728 7.831 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.811 -0.047 7.069 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.659 0.500 4.766 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.884 -0.122 5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.695 1.725 6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.580 3.935 5.825 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.026 2.476 3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.781 5.726 3.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.155 4.467 1.920 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.007 6.073 2.144 1.00 0.00 H new ATOM 982 N LYS A 68 -2.390 3.167 6.836 1.00 0.00 N ATOM 983 CA LYS A 68 -1.419 4.216 6.549 1.00 0.00 C ATOM 984 C LYS A 68 -0.130 3.993 7.333 1.00 0.00 C ATOM 985 O LYS A 68 0.930 4.494 6.960 1.00 0.00 O ATOM 986 CB LYS A 68 -2.004 5.589 6.887 1.00 0.00 C ATOM 987 CG LYS A 68 -3.172 5.987 6.002 1.00 0.00 C ATOM 988 CD LYS A 68 -3.954 7.146 6.598 1.00 0.00 C ATOM 989 CE LYS A 68 -5.161 7.502 5.743 1.00 0.00 C ATOM 990 NZ LYS A 68 -4.771 8.266 4.526 1.00 0.00 N ATOM 0 H LYS A 68 -3.224 3.488 7.328 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.187 4.180 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.330 5.590 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.220 6.341 6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.803 6.265 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.834 5.132 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.283 6.885 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.303 8.016 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.680 6.590 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.863 8.092 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.586 8.815 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.991 8.913 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.464 7.605 3.785 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.228 3.238 8.423 1.00 0.00 N ATOM 1005 CA GLY A 69 0.938 2.961 9.242 1.00 0.00 C ATOM 1006 C GLY A 69 1.690 1.728 8.782 1.00 0.00 C ATOM 1007 O GLY A 69 2.919 1.733 8.709 1.00 0.00 O ATOM 0 H GLY A 69 -1.094 2.813 8.754 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.607 3.821 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.627 2.828 10.278 1.00 0.00 H new ATOM 1011 N VAL A 70 0.951 0.667 8.473 1.00 0.00 N ATOM 1012 CA VAL A 70 1.556 -0.579 8.019 1.00 0.00 C ATOM 1013 C VAL A 70 2.166 -0.420 6.631 1.00 0.00 C ATOM 1014 O VAL A 70 3.256 -0.925 6.360 1.00 0.00 O ATOM 1015 CB VAL A 70 0.526 -1.724 7.987 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.055 -2.059 9.394 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.651 -1.356 7.096 1.00 0.00 C ATOM 0 H VAL A 70 -0.067 0.646 8.529 1.00 0.00 H new ATOM 0 HA VAL A 70 2.342 -0.827 8.732 1.00 0.00 H new ATOM 0 HB VAL A 70 1.006 -2.609 7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.672 -2.870 9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.907 -2.368 9.999 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.408 -1.180 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.369 -2.176 7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.132 -0.457 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.296 -1.171 6.082 1.00 0.00 H new ATOM 1027 N ILE A 71 1.457 0.285 5.756 1.00 0.00 N ATOM 1028 CA ILE A 71 1.930 0.512 4.396 1.00 0.00 C ATOM 1029 C ILE A 71 2.922 1.669 4.345 1.00 0.00 C ATOM 1030 O ILE A 71 2.615 2.782 4.773 1.00 0.00 O ATOM 1031 CB ILE A 71 0.763 0.808 3.436 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.228 -0.358 3.428 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.286 1.075 2.033 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.531 -0.040 2.729 1.00 0.00 C ATOM 0 H ILE A 71 0.553 0.709 5.965 1.00 0.00 H new ATOM 0 HA ILE A 71 2.428 -0.404 4.078 1.00 0.00 H new ATOM 0 HB ILE A 71 0.243 1.700 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.236 -1.215 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.439 -0.652 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.449 1.283 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.957 1.934 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.828 0.200 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.184 -0.912 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.018 0.797 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.332 0.225 1.691 1.00 0.00 H new ATOM 1046 N ARG A 72 4.111 1.399 3.818 1.00 0.00 N ATOM 1047 CA ARG A 72 5.148 2.418 3.710 1.00 0.00 C ATOM 1048 C ARG A 72 5.410 2.774 2.249 1.00 0.00 C ATOM 1049 O ARG A 72 5.417 1.903 1.379 1.00 0.00 O ATOM 1050 CB ARG A 72 6.441 1.931 4.367 1.00 0.00 C ATOM 1051 CG ARG A 72 6.251 1.431 5.789 1.00 0.00 C ATOM 1052 CD ARG A 72 7.579 1.067 6.434 1.00 0.00 C ATOM 1053 NE ARG A 72 7.454 0.883 7.878 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.466 1.021 8.727 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.672 1.344 8.279 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.274 0.837 10.027 1.00 0.00 N ATOM 0 H ARG A 72 4.381 0.483 3.459 1.00 0.00 H new ATOM 0 HA ARG A 72 4.800 3.312 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.866 1.129 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.165 2.745 4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.755 2.199 6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.596 0.560 5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.962 0.151 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.308 1.851 6.230 1.00 0.00 H new ATOM 0 HE ARG A 72 6.539 0.635 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.824 1.487 7.281 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.448 1.449 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.348 0.589 10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.052 0.943 10.678 1.00 0.00 H new ATOM 1070 N CYS A 73 5.625 4.059 1.989 1.00 0.00 N ATOM 1071 CA CYS A 73 5.886 4.531 0.634 1.00 0.00 C ATOM 1072 C CYS A 73 7.230 5.248 0.557 1.00 0.00 C ATOM 1073 O CYS A 73 7.408 6.318 1.138 1.00 0.00 O ATOM 1074 CB CYS A 73 4.768 5.468 0.174 1.00 0.00 C ATOM 1075 SG CYS A 73 5.079 6.262 -1.420 1.00 0.00 S ATOM 0 H CYS A 73 5.624 4.792 2.698 1.00 0.00 H new ATOM 0 HA CYS A 73 5.919 3.664 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.838 4.903 0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.621 6.240 0.930 1.00 0.00 H new ATOM 0 HG CYS A 73 4.932 5.392 -2.374 1.00 0.00 H new ATOM 1081 N ASN A 74 8.174 4.650 -0.162 1.00 0.00 N ATOM 1082 CA ASN A 74 9.503 5.230 -0.313 1.00 0.00 C ATOM 1083 C ASN A 74 10.227 5.287 1.029 1.00 0.00 C ATOM 1084 O ASN A 74 11.027 6.188 1.277 1.00 0.00 O ATOM 1085 CB ASN A 74 9.404 6.635 -0.912 1.00 0.00 C ATOM 1086 CG ASN A 74 9.472 6.623 -2.427 1.00 0.00 C ATOM 1087 OD1 ASN A 74 10.547 6.754 -3.012 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.320 6.466 -3.069 1.00 0.00 N ATOM 0 H ASN A 74 8.043 3.764 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 74 10.076 4.594 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.468 7.097 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.212 7.252 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.302 6.450 -4.089 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.453 6.361 -2.542 1.00 0.00 H new ATOM 1095 N GLY A 75 9.941 4.316 1.891 1.00 0.00 N ATOM 1096 CA GLY A 75 10.573 4.274 3.197 1.00 0.00 C ATOM 1097 C GLY A 75 9.833 5.105 4.227 1.00 0.00 C ATOM 1098 O GLY A 75 10.104 5.006 5.423 1.00 0.00 O ATOM 0 H GLY A 75 9.283 3.558 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.625 3.240 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.598 4.634 3.113 1.00 0.00 H new ATOM 1102 N GLU A 76 8.897 5.926 3.761 1.00 0.00 N ATOM 1103 CA GLU A 76 8.118 6.779 4.651 1.00 0.00 C ATOM 1104 C GLU A 76 6.657 6.341 4.683 1.00 0.00 C ATOM 1105 O GLU A 76 6.019 6.188 3.641 1.00 0.00 O ATOM 1106 CB GLU A 76 8.214 8.240 4.207 1.00 0.00 C ATOM 1107 CG GLU A 76 9.357 9.000 4.858 1.00 0.00 C ATOM 1108 CD GLU A 76 9.912 10.095 3.968 1.00 0.00 C ATOM 1109 OE1 GLU A 76 9.154 11.032 3.639 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.103 10.016 3.601 1.00 0.00 O ATOM 0 H GLU A 76 8.660 6.018 2.773 1.00 0.00 H new ATOM 0 HA GLU A 76 8.530 6.684 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.336 8.275 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.275 8.744 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.010 9.439 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.156 8.302 5.110 1.00 0.00 H new ATOM 1117 N THR A 77 6.132 6.140 5.888 1.00 0.00 N ATOM 1118 CA THR A 77 4.747 5.717 6.058 1.00 0.00 C ATOM 1119 C THR A 77 3.787 6.709 5.411 1.00 0.00 C ATOM 1120 O THR A 77 3.974 7.922 5.507 1.00 0.00 O ATOM 1121 CB THR A 77 4.385 5.566 7.547 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.556 6.817 8.223 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.249 4.504 8.209 1.00 0.00 C ATOM 0 H THR A 77 6.645 6.263 6.761 1.00 0.00 H new ATOM 0 HA THR A 77 4.649 4.748 5.568 1.00 0.00 H new ATOM 0 HB THR A 77 3.342 5.257 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.322 6.712 9.169 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.975 4.415 9.260 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.094 3.547 7.712 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.298 4.788 8.130 1.00 0.00 H new ATOM 1131 N LEU A 78 2.758 6.186 4.752 1.00 0.00 N ATOM 1132 CA LEU A 78 1.767 7.026 4.089 1.00 0.00 C ATOM 1133 C LEU A 78 1.420 8.237 4.948 1.00 0.00 C ATOM 1134 O LEU A 78 1.340 9.361 4.451 1.00 0.00 O ATOM 1135 CB LEU A 78 0.502 6.218 3.790 1.00 0.00 C ATOM 1136 CG LEU A 78 0.714 4.988 2.907 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.555 4.153 2.840 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.155 5.403 1.512 1.00 0.00 C ATOM 0 H LEU A 78 2.589 5.184 4.663 1.00 0.00 H new ATOM 0 HA LEU A 78 2.194 7.379 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.062 5.897 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.223 6.873 3.307 1.00 0.00 H new ATOM 0 HG LEU A 78 1.502 4.379 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.385 3.282 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.828 3.825 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.363 4.753 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.301 4.515 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.389 6.034 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.091 5.958 1.576 1.00 0.00 H new ATOM 1150 N ARG A 79 1.214 8.001 6.239 1.00 0.00 N ATOM 1151 CA ARG A 79 0.873 9.073 7.167 1.00 0.00 C ATOM 1152 C ARG A 79 1.953 10.151 7.172 1.00 0.00 C ATOM 1153 O ARG A 79 1.653 11.344 7.229 1.00 0.00 O ATOM 1154 CB ARG A 79 0.689 8.514 8.579 1.00 0.00 C ATOM 1155 CG ARG A 79 0.542 9.588 9.645 1.00 0.00 C ATOM 1156 CD ARG A 79 -0.742 10.381 9.462 1.00 0.00 C ATOM 1157 NE ARG A 79 -1.868 9.770 10.164 1.00 0.00 N ATOM 1158 CZ ARG A 79 -2.941 10.445 10.559 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -3.035 11.746 10.323 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -3.925 9.818 11.192 1.00 0.00 N ATOM 0 H ARG A 79 1.277 7.077 6.667 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.063 9.522 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.194 7.875 8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.544 7.884 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.548 9.126 10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.397 10.263 9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.595 11.397 9.828 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.974 10.455 8.400 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.828 8.770 10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.282 12.232 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.861 12.261 10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.857 8.817 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.749 10.337 11.495 1.00 0.00 H new ATOM 1174 N HIS A 80 3.210 9.723 7.113 1.00 0.00 N ATOM 1175 CA HIS A 80 4.334 10.652 7.111 1.00 0.00 C ATOM 1176 C HIS A 80 4.274 11.575 5.897 1.00 0.00 C ATOM 1177 O HIS A 80 4.388 12.793 6.024 1.00 0.00 O ATOM 1178 CB HIS A 80 5.657 9.885 7.118 1.00 0.00 C ATOM 1179 CG HIS A 80 6.821 10.703 7.586 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.538 11.664 6.957 1.00 0.00 N flip ATOM 1181 CD2 HIS A 80 7.375 10.575 8.842 1.00 0.00 C flip ATOM 1182 CE1 HIS A 80 8.501 12.094 7.836 1.00 0.00 C flip ATOM 1183 NE2 HIS A 80 8.381 11.422 8.966 1.00 0.00 N flip ATOM 0 H HIS A 80 3.476 8.739 7.066 1.00 0.00 H new ATOM 0 HA HIS A 80 4.271 11.262 8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.557 9.010 7.760 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.861 9.520 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.039 9.889 9.606 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.237 12.858 7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.966 11.537 9.794 1.00 0.00 H new ATOM 1192 N LEU A 81 4.097 10.984 4.720 1.00 0.00 N ATOM 1193 CA LEU A 81 4.022 11.753 3.482 1.00 0.00 C ATOM 1194 C LEU A 81 2.788 12.649 3.471 1.00 0.00 C ATOM 1195 O LEU A 81 2.846 13.796 3.030 1.00 0.00 O ATOM 1196 CB LEU A 81 3.997 10.813 2.275 1.00 0.00 C ATOM 1197 CG LEU A 81 5.219 9.906 2.135 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.991 8.866 1.049 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.462 10.729 1.834 1.00 0.00 C ATOM 0 H LEU A 81 4.003 9.976 4.597 1.00 0.00 H new ATOM 0 HA LEU A 81 4.907 12.386 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.106 10.189 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.903 11.412 1.369 1.00 0.00 H new ATOM 0 HG LEU A 81 5.371 9.386 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.872 8.230 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.125 8.255 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.812 9.367 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.322 10.067 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.319 11.276 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.637 11.435 2.646 1.00 0.00 H new ATOM 1211 N GLU A 82 1.673 12.115 3.960 1.00 0.00 N ATOM 1212 CA GLU A 82 0.424 12.866 4.005 1.00 0.00 C ATOM 1213 C GLU A 82 0.582 14.136 4.836 1.00 0.00 C ATOM 1214 O GLU A 82 0.124 15.209 4.442 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.697 12.001 4.585 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.046 12.699 4.625 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.187 13.629 5.813 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -1.941 13.178 6.952 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -2.544 14.808 5.606 1.00 0.00 O ATOM 0 H GLU A 82 1.609 11.167 4.330 1.00 0.00 H new ATOM 0 HA GLU A 82 0.164 13.149 2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.786 11.091 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.424 11.698 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.184 13.267 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.837 11.950 4.659 1.00 0.00 H new ATOM 1226 N GLN A 83 1.234 14.006 5.987 1.00 0.00 N ATOM 1227 CA GLN A 83 1.452 15.143 6.874 1.00 0.00 C ATOM 1228 C GLN A 83 2.268 16.227 6.178 1.00 0.00 C ATOM 1229 O GLN A 83 2.028 17.419 6.369 1.00 0.00 O ATOM 1230 CB GLN A 83 2.163 14.691 8.150 1.00 0.00 C ATOM 1231 CG GLN A 83 1.260 13.945 9.118 1.00 0.00 C ATOM 1232 CD GLN A 83 1.850 13.849 10.512 1.00 0.00 C ATOM 1233 OE1 GLN A 83 2.347 14.835 11.057 1.00 0.00 O ATOM 1234 NE2 GLN A 83 1.798 12.658 11.096 1.00 0.00 N ATOM 0 H GLN A 83 1.620 13.125 6.327 1.00 0.00 H new ATOM 0 HA GLN A 83 0.480 15.559 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.002 14.049 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 83 2.578 15.564 8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.295 14.449 9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.075 12.941 8.736 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.377 11.868 10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.179 12.533 12.034 1.00 0.00 H new ATOM 1243 N LYS A 84 3.236 15.806 5.371 1.00 0.00 N ATOM 1244 CA LYS A 84 4.089 16.740 4.646 1.00 0.00 C ATOM 1245 C LYS A 84 3.375 17.284 3.413 1.00 0.00 C ATOM 1246 O LYS A 84 3.988 17.923 2.560 1.00 0.00 O ATOM 1247 CB LYS A 84 5.393 16.055 4.231 1.00 0.00 C ATOM 1248 CG LYS A 84 6.298 15.709 5.402 1.00 0.00 C ATOM 1249 CD LYS A 84 7.193 14.524 5.083 1.00 0.00 C ATOM 1250 CE LYS A 84 8.451 14.957 4.346 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.128 13.809 3.682 1.00 0.00 N ATOM 0 H LYS A 84 3.449 14.823 5.203 1.00 0.00 H new ATOM 0 HA LYS A 84 4.318 17.574 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.156 15.143 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.934 16.707 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.913 16.573 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.690 15.482 6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.468 14.016 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.643 13.805 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.194 15.708 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.139 15.428 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.149 13.848 3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.739 12.917 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.969 13.859 2.655 1.00 0.00 H new ATOM 1265 N GLY A 85 2.072 17.028 3.328 1.00 0.00 N ATOM 1266 CA GLY A 85 1.296 17.502 2.197 1.00 0.00 C ATOM 1267 C GLY A 85 1.744 16.884 0.887 1.00 0.00 C ATOM 1268 O GLY A 85 1.700 17.531 -0.159 1.00 0.00 O ATOM 0 H GLY A 85 1.541 16.501 4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.243 17.274 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.381 18.587 2.131 1.00 0.00 H new ATOM 1272 N LEU A 86 2.179 15.630 0.944 1.00 0.00 N ATOM 1273 CA LEU A 86 2.639 14.925 -0.247 1.00 0.00 C ATOM 1274 C LEU A 86 1.574 13.958 -0.753 1.00 0.00 C ATOM 1275 O LEU A 86 1.418 13.763 -1.958 1.00 0.00 O ATOM 1276 CB LEU A 86 3.934 14.166 0.053 1.00 0.00 C ATOM 1277 CG LEU A 86 5.031 14.997 0.718 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.138 14.097 1.243 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.592 16.019 -0.258 1.00 0.00 C ATOM 0 H LEU A 86 2.223 15.081 1.802 1.00 0.00 H new ATOM 0 HA LEU A 86 2.831 15.664 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.700 13.319 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.323 13.759 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 86 4.594 15.531 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.910 14.706 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.726 13.404 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.573 13.535 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.372 16.601 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.013 15.504 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.794 16.685 -0.586 1.00 0.00 H new ATOM 1291 N LEU A 87 0.843 13.353 0.178 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.209 12.405 -0.172 1.00 0.00 C ATOM 1293 C LEU A 87 -1.588 13.021 0.035 1.00 0.00 C ATOM 1294 O LEU A 87 -1.951 13.399 1.149 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.074 11.131 0.666 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.987 9.980 0.244 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.349 9.177 -0.879 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.297 9.083 1.432 1.00 0.00 C ATOM 0 H LEU A 87 0.960 13.502 1.180 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.100 12.152 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.960 10.791 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.281 11.376 1.708 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.923 10.400 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.013 8.362 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.178 9.826 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.602 8.767 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.948 8.269 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.369 8.671 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.796 9.665 2.207 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.354 13.120 -1.046 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.694 13.691 -0.985 1.00 0.00 C ATOM 1312 C PHE A 88 -4.541 12.979 0.066 1.00 0.00 C ATOM 1313 O PHE A 88 -5.368 13.598 0.736 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.375 13.599 -2.352 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.065 12.287 -2.591 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.370 11.093 -2.481 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.409 12.247 -2.927 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.002 9.884 -2.700 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.046 11.040 -3.146 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.342 9.857 -3.034 1.00 0.00 C ATOM 0 H PHE A 88 -2.069 12.812 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.602 14.740 -0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.103 14.405 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.630 13.756 -3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.322 11.108 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.964 13.169 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.449 8.961 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.094 11.022 -3.405 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.838 8.913 -3.207 1.00 0.00 H new ATOM 1330 N SER A 89 -4.329 11.674 0.204 1.00 0.00 N ATOM 1331 CA SER A 89 -5.075 10.876 1.170 1.00 0.00 C ATOM 1332 C SER A 89 -6.577 11.085 1.002 1.00 0.00 C ATOM 1333 O SER A 89 -7.312 11.203 1.981 1.00 0.00 O ATOM 1334 CB SER A 89 -4.655 11.238 2.595 1.00 0.00 C ATOM 1335 OG SER A 89 -5.434 12.308 3.101 1.00 0.00 O ATOM 0 H SER A 89 -3.647 11.147 -0.341 1.00 0.00 H new ATOM 0 HA SER A 89 -4.849 9.825 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.764 10.367 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.601 11.514 2.607 1.00 0.00 H new ATOM 0 HG SER A 89 -6.376 12.039 3.136 1.00 0.00 H new