USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 544 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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc=-0.00287 X(o=-0.0029,f=0.093) USER MOD Set 2.1: A 22 THR OG1 : rot -119:sc= 0.652 USER MOD Set 2.2: A 74 ASN : amide:sc= 0.22 K(o=0.87,f=-5.3!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0.00296 (180deg=0.00171) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 43 MET CE :methyl -161:sc= -2 (180deg=-2.64!) USER MOD Single : A 45 MET CE :methyl 166:sc= -1.25 (180deg=-2.27) USER MOD Single : A 48 MET CE :methyl 174:sc= 0 (180deg=-0.0676) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -5.87! C(o=-5.9!,f=-19!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -107:sc= -0.076 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -55:sc= 0.156 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.07) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.425 X(o=-0.42,f=-0.2) USER MOD Single : A 77 THR OG1 : rot -111:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 174 N GLY A 16 1.938 9.075 2.431 1.00 0.00 N ATOM 175 CA GLY A 16 1.125 7.957 2.880 1.00 0.00 C ATOM 176 C GLY A 16 2.002 6.779 3.309 1.00 0.00 C ATOM 177 O GLY A 16 3.227 6.891 3.340 1.00 0.00 O ATOM 0 HA2 GLY A 16 0.498 8.271 3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.456 7.644 2.078 1.00 0.00 H new ATOM 181 N PRO A 17 1.324 5.647 3.637 1.00 0.00 N ATOM 182 CA PRO A 17 2.028 4.449 4.062 1.00 0.00 C ATOM 183 C PRO A 17 2.688 3.750 2.872 1.00 0.00 C ATOM 184 O PRO A 17 2.101 3.662 1.795 1.00 0.00 O ATOM 185 CB PRO A 17 0.973 3.593 4.743 1.00 0.00 C ATOM 186 CG PRO A 17 -0.368 4.128 4.267 1.00 0.00 C ATOM 187 CD PRO A 17 -0.126 5.478 3.612 1.00 0.00 C ATOM 0 HA PRO A 17 2.849 4.664 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.091 2.543 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.057 3.659 5.828 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.825 3.437 3.559 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.058 4.229 5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.510 5.498 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.627 6.278 4.157 1.00 0.00 H new ATOM 195 N LEU A 18 3.901 3.270 3.107 1.00 0.00 N ATOM 196 CA LEU A 18 4.647 2.581 2.068 1.00 0.00 C ATOM 197 C LEU A 18 4.600 1.073 2.326 1.00 0.00 C ATOM 198 O LEU A 18 4.769 0.629 3.460 1.00 0.00 O ATOM 199 CB LEU A 18 6.066 3.143 1.965 1.00 0.00 C ATOM 200 CG LEU A 18 6.180 4.596 1.499 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.637 5.063 1.512 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.531 4.784 0.126 1.00 0.00 C ATOM 0 H LEU A 18 4.385 3.345 4.002 1.00 0.00 H new ATOM 0 HA LEU A 18 4.189 2.752 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.541 3.057 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.635 2.516 1.278 1.00 0.00 H new ATOM 0 HG LEU A 18 5.634 5.224 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.690 6.099 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.034 4.989 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.226 4.435 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.626 5.825 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.028 4.144 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.476 4.517 0.183 1.00 0.00 H new ATOM 214 N ALA A 19 4.369 0.329 1.254 1.00 0.00 N ATOM 215 CA ALA A 19 4.298 -1.119 1.350 1.00 0.00 C ATOM 216 C ALA A 19 5.589 -1.649 1.976 1.00 0.00 C ATOM 217 O ALA A 19 6.660 -1.078 1.775 1.00 0.00 O ATOM 218 CB ALA A 19 4.035 -1.711 -0.036 1.00 0.00 C ATOM 0 H ALA A 19 4.229 0.702 0.315 1.00 0.00 H new ATOM 0 HA ALA A 19 3.472 -1.420 1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.982 -2.797 0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.091 -1.326 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.844 -1.432 -0.711 1.00 0.00 H new ATOM 224 N PRO A 20 5.443 -2.764 2.741 1.00 0.00 N ATOM 225 CA PRO A 20 6.585 -3.377 3.397 1.00 0.00 C ATOM 226 C PRO A 20 7.450 -4.139 2.392 1.00 0.00 C ATOM 227 O PRO A 20 8.666 -3.958 2.350 1.00 0.00 O ATOM 228 CB PRO A 20 5.988 -4.275 4.468 1.00 0.00 C ATOM 229 CG PRO A 20 4.537 -4.490 4.071 1.00 0.00 C ATOM 230 CD PRO A 20 4.190 -3.467 3.001 1.00 0.00 C ATOM 0 HA PRO A 20 7.259 -2.644 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.522 -5.224 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.059 -3.810 5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.390 -5.502 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.884 -4.375 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.812 -3.949 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.415 -2.782 3.345 1.00 0.00 H new ATOM 238 N MET A 21 6.790 -4.976 1.605 1.00 0.00 N ATOM 239 CA MET A 21 7.483 -5.767 0.603 1.00 0.00 C ATOM 240 C MET A 21 6.586 -6.026 -0.609 1.00 0.00 C ATOM 241 O MET A 21 5.442 -5.574 -0.647 1.00 0.00 O ATOM 242 CB MET A 21 7.914 -7.102 1.214 1.00 0.00 C ATOM 243 CG MET A 21 6.792 -7.705 2.061 1.00 0.00 C ATOM 244 SD MET A 21 7.406 -9.106 2.980 1.00 0.00 S ATOM 245 CE MET A 21 7.099 -8.543 4.646 1.00 0.00 C ATOM 0 H MET A 21 5.781 -5.123 1.641 1.00 0.00 H new ATOM 0 HA MET A 21 8.359 -5.210 0.270 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.189 -7.797 0.421 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.801 -6.954 1.830 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.399 -6.954 2.746 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.967 -8.014 1.419 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.427 -9.305 5.354 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.650 -7.620 4.825 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.033 -8.360 4.778 1.00 0.00 H new ATOM 255 N THR A 22 7.138 -6.751 -1.570 1.00 0.00 N ATOM 256 CA THR A 22 6.402 -7.076 -2.780 1.00 0.00 C ATOM 257 C THR A 22 5.345 -8.143 -2.491 1.00 0.00 C ATOM 258 O THR A 22 5.672 -9.239 -2.038 1.00 0.00 O ATOM 259 CB THR A 22 7.412 -7.494 -3.850 1.00 0.00 C ATOM 260 OG1 THR A 22 8.098 -6.287 -4.172 1.00 0.00 O ATOM 261 CG2 THR A 22 6.739 -7.902 -5.162 1.00 0.00 C ATOM 0 H THR A 22 8.087 -7.123 -1.536 1.00 0.00 H new ATOM 0 HA THR A 22 5.852 -6.212 -3.153 1.00 0.00 H new ATOM 0 HB THR A 22 8.013 -8.323 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.965 -6.078 -5.120 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.500 -8.190 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.072 -8.745 -4.982 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.164 -7.062 -5.553 1.00 0.00 H new ATOM 269 N GLY A 23 4.099 -7.786 -2.766 1.00 0.00 N ATOM 270 CA GLY A 23 2.992 -8.700 -2.541 1.00 0.00 C ATOM 271 C GLY A 23 1.767 -8.289 -3.360 1.00 0.00 C ATOM 272 O GLY A 23 1.895 -7.606 -4.375 1.00 0.00 O ATOM 0 H GLY A 23 3.832 -6.877 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.291 -9.713 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.737 -8.715 -1.481 1.00 0.00 H new ATOM 276 N THR A 24 0.607 -8.722 -2.889 1.00 0.00 N ATOM 277 CA THR A 24 -0.640 -8.408 -3.566 1.00 0.00 C ATOM 278 C THR A 24 -1.685 -7.920 -2.559 1.00 0.00 C ATOM 279 O THR A 24 -1.710 -8.374 -1.416 1.00 0.00 O ATOM 280 CB THR A 24 -1.081 -9.648 -4.346 1.00 0.00 C ATOM 281 OG1 THR A 24 -0.133 -9.746 -5.406 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.419 -9.446 -5.060 1.00 0.00 C ATOM 0 H THR A 24 0.504 -9.288 -2.047 1.00 0.00 H new ATOM 0 HA THR A 24 -0.510 -7.590 -4.275 1.00 0.00 H new ATOM 0 HB THR A 24 -1.158 -10.496 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.343 -10.525 -5.962 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.685 -10.356 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.192 -9.219 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.334 -8.619 -5.765 1.00 0.00 H new ATOM 290 N ILE A 25 -2.522 -7.003 -3.021 1.00 0.00 N ATOM 291 CA ILE A 25 -3.566 -6.449 -2.176 1.00 0.00 C ATOM 292 C ILE A 25 -4.713 -7.455 -2.064 1.00 0.00 C ATOM 293 O ILE A 25 -5.339 -7.802 -3.065 1.00 0.00 O ATOM 294 CB ILE A 25 -4.000 -5.076 -2.691 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.789 -4.238 -3.108 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.870 -4.353 -1.660 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.760 -4.163 -1.979 1.00 0.00 C ATOM 0 H ILE A 25 -2.498 -6.630 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.190 -6.281 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.611 -5.223 -3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.329 -4.673 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.113 -3.233 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.165 -3.379 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.761 -4.947 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.305 -4.217 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.910 -3.562 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.216 -3.705 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.420 -5.168 -1.729 1.00 0.00 H new ATOM 309 N GLU A 26 -4.954 -7.896 -0.838 1.00 0.00 N ATOM 310 CA GLU A 26 -6.015 -8.855 -0.583 1.00 0.00 C ATOM 311 C GLU A 26 -7.308 -8.129 -0.208 1.00 0.00 C ATOM 312 O GLU A 26 -8.373 -8.433 -0.744 1.00 0.00 O ATOM 313 CB GLU A 26 -5.606 -9.847 0.508 1.00 0.00 C ATOM 314 CG GLU A 26 -6.705 -10.886 0.744 1.00 0.00 C ATOM 315 CD GLU A 26 -7.056 -11.616 -0.554 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.292 -12.538 -0.911 1.00 0.00 O ATOM 317 OE2 GLU A 26 -8.081 -11.236 -1.159 1.00 0.00 O ATOM 0 H GLU A 26 -4.433 -7.607 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.193 -9.423 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.682 -10.349 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.403 -9.310 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.375 -11.606 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.594 -10.397 1.142 1.00 0.00 H new ATOM 324 N LYS A 27 -7.174 -7.184 0.711 1.00 0.00 N ATOM 325 CA LYS A 27 -8.318 -6.412 1.164 1.00 0.00 C ATOM 326 C LYS A 27 -7.941 -4.930 1.214 1.00 0.00 C ATOM 327 O LYS A 27 -6.780 -4.588 1.434 1.00 0.00 O ATOM 328 CB LYS A 27 -8.840 -6.959 2.494 1.00 0.00 C ATOM 329 CG LYS A 27 -9.822 -8.110 2.266 1.00 0.00 C ATOM 330 CD LYS A 27 -11.265 -7.601 2.229 1.00 0.00 C ATOM 331 CE LYS A 27 -11.962 -8.024 0.935 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.076 -7.101 0.622 1.00 0.00 N ATOM 0 H LYS A 27 -6.290 -6.936 1.154 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.145 -6.507 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.004 -7.305 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.332 -6.162 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.586 -8.614 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.713 -8.848 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.814 -7.991 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.273 -6.514 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.245 -8.030 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.341 -9.041 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.539 -7.402 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.767 -7.115 1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.705 -6.136 0.506 1.00 0.00 H new ATOM 346 N VAL A 28 -8.944 -4.090 1.006 1.00 0.00 N ATOM 347 CA VAL A 28 -8.732 -2.652 1.025 1.00 0.00 C ATOM 348 C VAL A 28 -9.837 -1.989 1.850 1.00 0.00 C ATOM 349 O VAL A 28 -10.903 -1.672 1.326 1.00 0.00 O ATOM 350 CB VAL A 28 -8.652 -2.117 -0.406 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.854 -0.600 -0.436 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.327 -2.507 -1.064 1.00 0.00 C ATOM 0 H VAL A 28 -9.906 -4.377 0.823 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.782 -2.412 1.502 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.458 -2.574 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.792 -0.245 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.834 -0.355 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.080 -0.118 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.296 -2.114 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.499 -2.092 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.240 -3.593 -1.092 1.00 0.00 H new ATOM 362 N PHE A 29 -9.543 -1.798 3.128 1.00 0.00 N ATOM 363 CA PHE A 29 -10.497 -1.179 4.031 1.00 0.00 C ATOM 364 C PHE A 29 -10.316 0.340 4.062 1.00 0.00 C ATOM 365 O PHE A 29 -10.283 0.943 5.134 1.00 0.00 O ATOM 366 CB PHE A 29 -10.224 -1.742 5.427 1.00 0.00 C ATOM 367 CG PHE A 29 -10.207 -3.271 5.489 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.265 -3.982 5.014 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.135 -3.918 6.019 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.250 -5.400 5.072 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.120 -5.337 6.077 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.178 -6.048 5.602 1.00 0.00 C ATOM 0 H PHE A 29 -8.657 -2.061 3.559 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.514 -1.391 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.264 -1.364 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.985 -1.369 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.116 -3.468 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.295 -3.353 6.396 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.090 -5.965 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.269 -5.851 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.167 -7.127 5.646 1.00 0.00 H new ATOM 382 N VAL A 30 -10.204 0.915 2.874 1.00 0.00 N ATOM 383 CA VAL A 30 -10.027 2.352 2.752 1.00 0.00 C ATOM 384 C VAL A 30 -10.716 2.840 1.476 1.00 0.00 C ATOM 385 O VAL A 30 -11.349 2.057 0.770 1.00 0.00 O ATOM 386 CB VAL A 30 -8.538 2.702 2.798 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.929 2.328 4.151 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.781 2.030 1.651 1.00 0.00 C ATOM 0 H VAL A 30 -10.232 0.412 1.987 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.494 2.867 3.591 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.443 3.781 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.870 2.587 4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.441 2.874 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.041 1.257 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.725 2.295 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.888 0.948 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.190 2.367 0.698 1.00 0.00 H new ATOM 398 N LYS A 31 -10.569 4.132 1.219 1.00 0.00 N ATOM 399 CA LYS A 31 -11.170 4.733 0.040 1.00 0.00 C ATOM 400 C LYS A 31 -10.897 6.238 0.046 1.00 0.00 C ATOM 401 O LYS A 31 -10.484 6.794 1.063 1.00 0.00 O ATOM 402 CB LYS A 31 -12.656 4.378 -0.045 1.00 0.00 C ATOM 403 CG LYS A 31 -13.360 4.642 1.288 1.00 0.00 C ATOM 404 CD LYS A 31 -14.131 5.963 1.248 1.00 0.00 C ATOM 405 CE LYS A 31 -15.445 5.807 0.479 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.526 5.360 1.385 1.00 0.00 N ATOM 0 H LYS A 31 -10.043 4.779 1.807 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.718 4.329 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.129 4.964 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.768 3.329 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.045 3.824 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.625 4.670 2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.338 6.299 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.519 6.732 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.718 6.756 0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.317 5.086 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.410 5.259 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.270 4.444 1.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.658 6.062 2.140 1.00 0.00 H new ATOM 420 N ALA A 32 -11.138 6.856 -1.101 1.00 0.00 N ATOM 421 CA ALA A 32 -10.924 8.286 -1.241 1.00 0.00 C ATOM 422 C ALA A 32 -11.990 9.038 -0.443 1.00 0.00 C ATOM 423 O ALA A 32 -13.133 8.592 -0.353 1.00 0.00 O ATOM 424 CB ALA A 32 -10.933 8.661 -2.725 1.00 0.00 C ATOM 0 H ALA A 32 -11.480 6.392 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.951 8.569 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.772 9.734 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.138 8.123 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.895 8.394 -3.162 1.00 0.00 H new ATOM 430 N GLY A 33 -11.579 10.166 0.117 1.00 0.00 N ATOM 431 CA GLY A 33 -12.485 10.984 0.905 1.00 0.00 C ATOM 432 C GLY A 33 -13.035 10.200 2.098 1.00 0.00 C ATOM 433 O GLY A 33 -14.165 10.428 2.528 1.00 0.00 O ATOM 0 H GLY A 33 -10.630 10.533 0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.963 11.873 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.309 11.326 0.279 1.00 0.00 H new ATOM 437 N ASP A 34 -12.211 9.291 2.599 1.00 0.00 N ATOM 438 CA ASP A 34 -12.601 8.471 3.734 1.00 0.00 C ATOM 439 C ASP A 34 -11.914 8.996 4.996 1.00 0.00 C ATOM 440 O ASP A 34 -11.081 9.899 4.924 1.00 0.00 O ATOM 441 CB ASP A 34 -12.174 7.016 3.534 1.00 0.00 C ATOM 442 CG ASP A 34 -12.979 5.990 4.335 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.162 6.286 4.608 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.392 4.934 4.657 1.00 0.00 O ATOM 0 H ASP A 34 -11.275 9.104 2.240 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.686 8.519 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.254 6.772 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.122 6.921 3.804 1.00 0.00 H new ATOM 449 N LYS A 35 -12.289 8.409 6.123 1.00 0.00 N ATOM 450 CA LYS A 35 -11.720 8.807 7.399 1.00 0.00 C ATOM 451 C LYS A 35 -11.110 7.582 8.084 1.00 0.00 C ATOM 452 O LYS A 35 -11.749 6.535 8.175 1.00 0.00 O ATOM 453 CB LYS A 35 -12.766 9.530 8.250 1.00 0.00 C ATOM 454 CG LYS A 35 -13.270 10.790 7.545 1.00 0.00 C ATOM 455 CD LYS A 35 -14.426 10.463 6.598 1.00 0.00 C ATOM 456 CE LYS A 35 -15.251 11.714 6.286 1.00 0.00 C ATOM 457 NZ LYS A 35 -16.125 11.480 5.115 1.00 0.00 N ATOM 0 H LYS A 35 -12.980 7.661 6.179 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.913 9.525 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.603 8.861 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.334 9.797 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.597 11.519 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.455 11.248 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.034 10.041 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.066 9.704 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.857 11.982 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.586 12.555 6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.614 12.363 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.549 11.163 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.827 10.749 5.347 1.00 0.00 H new ATOM 471 N VAL A 36 -9.881 7.754 8.549 1.00 0.00 N ATOM 472 CA VAL A 36 -9.178 6.676 9.222 1.00 0.00 C ATOM 473 C VAL A 36 -8.432 7.238 10.434 1.00 0.00 C ATOM 474 O VAL A 36 -8.343 8.453 10.603 1.00 0.00 O ATOM 475 CB VAL A 36 -8.257 5.955 8.236 1.00 0.00 C ATOM 476 CG1 VAL A 36 -9.066 5.128 7.235 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.342 6.946 7.515 1.00 0.00 C ATOM 0 H VAL A 36 -9.354 8.624 8.473 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.884 5.932 9.590 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.627 5.271 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.387 4.626 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.656 4.384 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.732 5.784 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.698 6.407 6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.947 7.666 6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.728 7.472 8.246 1.00 0.00 H new ATOM 487 N LYS A 37 -7.916 6.327 11.246 1.00 0.00 N ATOM 488 CA LYS A 37 -7.181 6.717 12.438 1.00 0.00 C ATOM 489 C LYS A 37 -5.893 5.897 12.528 1.00 0.00 C ATOM 490 O LYS A 37 -5.901 4.692 12.280 1.00 0.00 O ATOM 491 CB LYS A 37 -8.071 6.603 13.677 1.00 0.00 C ATOM 492 CG LYS A 37 -9.181 7.655 13.654 1.00 0.00 C ATOM 493 CD LYS A 37 -9.289 8.370 15.002 1.00 0.00 C ATOM 494 CE LYS A 37 -10.661 8.139 15.637 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.614 9.188 15.209 1.00 0.00 N ATOM 0 H LYS A 37 -7.992 5.320 11.102 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.888 7.765 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.510 5.607 13.723 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.467 6.727 14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.981 8.383 12.868 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.132 7.180 13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.509 8.009 15.672 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.123 9.439 14.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.040 7.157 15.352 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.571 8.143 16.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.540 9.016 15.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.259 10.120 15.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.713 9.166 14.174 1.00 0.00 H new ATOM 509 N ALA A 38 -4.816 6.583 12.883 1.00 0.00 N ATOM 510 CA ALA A 38 -3.523 5.933 13.009 1.00 0.00 C ATOM 511 C ALA A 38 -3.708 4.559 13.654 1.00 0.00 C ATOM 512 O ALA A 38 -4.276 4.451 14.740 1.00 0.00 O ATOM 513 CB ALA A 38 -2.576 6.831 13.809 1.00 0.00 C ATOM 0 H ALA A 38 -4.813 7.582 13.087 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.074 5.778 12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.606 6.344 13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.455 7.783 13.293 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.992 7.006 14.801 1.00 0.00 H new ATOM 519 N GLY A 39 -3.217 3.543 12.960 1.00 0.00 N ATOM 520 CA GLY A 39 -3.322 2.180 13.452 1.00 0.00 C ATOM 521 C GLY A 39 -4.367 1.390 12.662 1.00 0.00 C ATOM 522 O GLY A 39 -4.144 0.231 12.316 1.00 0.00 O ATOM 0 H GLY A 39 -2.745 3.636 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.353 1.686 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.591 2.191 14.508 1.00 0.00 H new ATOM 526 N ASP A 40 -5.485 2.049 12.398 1.00 0.00 N ATOM 527 CA ASP A 40 -6.566 1.423 11.655 1.00 0.00 C ATOM 528 C ASP A 40 -5.980 0.618 10.494 1.00 0.00 C ATOM 529 O ASP A 40 -5.002 1.034 9.876 1.00 0.00 O ATOM 530 CB ASP A 40 -7.514 2.473 11.072 1.00 0.00 C ATOM 531 CG ASP A 40 -8.433 3.151 12.089 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.942 3.421 13.207 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.606 3.384 11.727 1.00 0.00 O ATOM 0 H ASP A 40 -5.666 3.011 12.685 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.118 0.780 12.340 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.920 3.240 10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.130 2.000 10.307 1.00 0.00 H new ATOM 538 N SER A 41 -6.604 -0.522 10.233 1.00 0.00 N ATOM 539 CA SER A 41 -6.157 -1.390 9.156 1.00 0.00 C ATOM 540 C SER A 41 -6.600 -0.821 7.807 1.00 0.00 C ATOM 541 O SER A 41 -7.756 -0.974 7.415 1.00 0.00 O ATOM 542 CB SER A 41 -6.694 -2.811 9.336 1.00 0.00 C ATOM 543 OG SER A 41 -8.028 -2.818 9.835 1.00 0.00 O ATOM 0 H SER A 41 -7.415 -0.864 10.748 1.00 0.00 H new ATOM 0 HA SER A 41 -5.068 -1.436 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.662 -3.335 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.048 -3.359 10.022 1.00 0.00 H new ATOM 0 HG SER A 41 -8.335 -3.743 9.934 1.00 0.00 H new ATOM 549 N LEU A 42 -5.658 -0.177 7.134 1.00 0.00 N ATOM 550 CA LEU A 42 -5.937 0.415 5.837 1.00 0.00 C ATOM 551 C LEU A 42 -6.285 -0.692 4.840 1.00 0.00 C ATOM 552 O LEU A 42 -7.429 -0.798 4.399 1.00 0.00 O ATOM 553 CB LEU A 42 -4.772 1.301 5.390 1.00 0.00 C ATOM 554 CG LEU A 42 -4.390 2.437 6.341 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.210 3.239 5.790 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.596 3.327 6.645 1.00 0.00 C ATOM 0 H LEU A 42 -4.701 -0.052 7.463 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.803 1.074 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.897 0.669 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.021 1.733 4.421 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.068 1.998 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.959 4.040 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.349 2.582 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.480 3.667 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.297 4.126 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.972 3.760 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.380 2.730 7.111 1.00 0.00 H new ATOM 568 N MET A 43 -5.278 -1.488 4.513 1.00 0.00 N ATOM 569 CA MET A 43 -5.464 -2.584 3.576 1.00 0.00 C ATOM 570 C MET A 43 -4.696 -3.827 4.028 1.00 0.00 C ATOM 571 O MET A 43 -3.980 -3.790 5.027 1.00 0.00 O ATOM 572 CB MET A 43 -4.976 -2.158 2.190 1.00 0.00 C ATOM 573 CG MET A 43 -5.697 -0.893 1.720 1.00 0.00 C ATOM 574 SD MET A 43 -4.532 0.449 1.557 1.00 0.00 S ATOM 575 CE MET A 43 -4.258 0.409 -0.206 1.00 0.00 C ATOM 0 H MET A 43 -4.331 -1.396 4.880 1.00 0.00 H new ATOM 0 HA MET A 43 -6.525 -2.830 3.538 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.901 -1.979 2.218 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.146 -2.964 1.477 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.187 -1.078 0.764 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.477 -0.624 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.331 0.932 -0.442 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.185 -0.626 -0.540 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.090 0.897 -0.715 1.00 0.00 H new ATOM 585 N VAL A 44 -4.871 -4.900 3.270 1.00 0.00 N ATOM 586 CA VAL A 44 -4.204 -6.153 3.579 1.00 0.00 C ATOM 587 C VAL A 44 -3.464 -6.652 2.337 1.00 0.00 C ATOM 588 O VAL A 44 -4.032 -6.692 1.246 1.00 0.00 O ATOM 589 CB VAL A 44 -5.216 -7.165 4.120 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.574 -8.543 4.293 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.831 -6.678 5.434 1.00 0.00 C ATOM 0 H VAL A 44 -5.466 -4.927 2.442 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.461 -6.007 4.363 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.019 -7.258 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.315 -9.244 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.207 -8.897 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.742 -8.472 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.547 -7.416 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.044 -6.541 6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.341 -5.729 5.267 1.00 0.00 H new ATOM 601 N MET A 45 -2.208 -7.021 2.543 1.00 0.00 N ATOM 602 CA MET A 45 -1.385 -7.516 1.453 1.00 0.00 C ATOM 603 C MET A 45 -1.057 -8.998 1.644 1.00 0.00 C ATOM 604 O MET A 45 -1.303 -9.560 2.710 1.00 0.00 O ATOM 605 CB MET A 45 -0.087 -6.710 1.386 1.00 0.00 C ATOM 606 CG MET A 45 -0.289 -5.409 0.606 1.00 0.00 C ATOM 607 SD MET A 45 1.245 -4.499 0.529 1.00 0.00 S ATOM 608 CE MET A 45 2.101 -5.440 -0.723 1.00 0.00 C ATOM 0 H MET A 45 -1.740 -6.987 3.449 1.00 0.00 H new ATOM 0 HA MET A 45 -1.941 -7.403 0.522 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.257 -6.483 2.395 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.691 -7.306 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.641 -5.630 -0.402 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.057 -4.803 1.086 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.965 -4.876 -1.075 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.434 -6.389 -0.301 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.428 -5.631 -1.559 1.00 0.00 H new ATOM 618 N ILE A 46 -0.505 -9.589 0.594 1.00 0.00 N ATOM 619 CA ILE A 46 -0.141 -10.995 0.632 1.00 0.00 C ATOM 620 C ILE A 46 1.283 -11.163 0.097 1.00 0.00 C ATOM 621 O ILE A 46 1.498 -11.173 -1.114 1.00 0.00 O ATOM 622 CB ILE A 46 -1.179 -11.839 -0.109 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.561 -11.698 0.534 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.735 -13.300 -0.200 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.635 -12.479 1.848 1.00 0.00 C ATOM 0 H ILE A 46 -0.301 -9.119 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.142 -11.360 1.659 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.259 -11.463 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.774 -10.645 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.325 -12.062 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.491 -13.878 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.211 -13.360 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.608 -13.705 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.627 -12.363 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.445 -13.535 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.886 -12.096 2.541 1.00 0.00 H new ATOM 637 N ALA A 47 2.219 -11.290 1.027 1.00 0.00 N ATOM 638 CA ALA A 47 3.616 -11.457 0.664 1.00 0.00 C ATOM 639 C ALA A 47 4.208 -12.625 1.455 1.00 0.00 C ATOM 640 O ALA A 47 3.571 -13.147 2.369 1.00 0.00 O ATOM 641 CB ALA A 47 4.367 -10.147 0.909 1.00 0.00 C ATOM 0 H ALA A 47 2.037 -11.281 2.031 1.00 0.00 H new ATOM 0 HA ALA A 47 3.711 -11.694 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.415 -10.272 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.926 -9.356 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.295 -9.878 1.963 1.00 0.00 H new ATOM 647 N MET A 48 5.420 -13.002 1.075 1.00 0.00 N ATOM 648 CA MET A 48 6.105 -14.099 1.737 1.00 0.00 C ATOM 649 C MET A 48 5.154 -15.273 1.979 1.00 0.00 C ATOM 650 O MET A 48 5.359 -16.063 2.899 1.00 0.00 O ATOM 651 CB MET A 48 6.670 -13.615 3.074 1.00 0.00 C ATOM 652 CG MET A 48 8.142 -13.224 2.937 1.00 0.00 C ATOM 653 SD MET A 48 9.180 -14.491 3.648 1.00 0.00 S ATOM 654 CE MET A 48 9.394 -15.549 2.227 1.00 0.00 C ATOM 0 H MET A 48 5.945 -12.567 0.317 1.00 0.00 H new ATOM 0 HA MET A 48 6.915 -14.439 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.094 -12.760 3.428 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.567 -14.401 3.822 1.00 0.00 H new ATOM 0 HG2 MET A 48 8.393 -13.084 1.886 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.322 -12.272 3.437 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.107 -16.339 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.436 -15.994 1.957 1.00 0.00 H new ATOM 0 HE3 MET A 48 9.770 -14.962 1.389 1.00 0.00 H new ATOM 664 N LYS A 49 4.134 -15.350 1.137 1.00 0.00 N ATOM 665 CA LYS A 49 3.150 -16.414 1.248 1.00 0.00 C ATOM 666 C LYS A 49 2.491 -16.352 2.627 1.00 0.00 C ATOM 667 O LYS A 49 2.222 -17.385 3.238 1.00 0.00 O ATOM 668 CB LYS A 49 3.789 -17.768 0.932 1.00 0.00 C ATOM 669 CG LYS A 49 4.032 -17.922 -0.571 1.00 0.00 C ATOM 670 CD LYS A 49 2.732 -18.253 -1.306 1.00 0.00 C ATOM 671 CE LYS A 49 2.985 -18.464 -2.800 1.00 0.00 C ATOM 672 NZ LYS A 49 2.418 -17.344 -3.585 1.00 0.00 N ATOM 0 H LYS A 49 3.967 -14.693 0.375 1.00 0.00 H new ATOM 0 HA LYS A 49 2.359 -16.280 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.733 -17.863 1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.141 -18.571 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.455 -17.001 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.764 -18.711 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.287 -19.152 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.015 -17.444 -1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.056 -18.541 -2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.537 -19.404 -3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.598 -17.503 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.393 -17.289 -3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.864 -16.452 -3.290 1.00 0.00 H new ATOM 686 N MET A 50 2.251 -15.129 3.079 1.00 0.00 N ATOM 687 CA MET A 50 1.629 -14.919 4.375 1.00 0.00 C ATOM 688 C MET A 50 0.736 -13.677 4.359 1.00 0.00 C ATOM 689 O MET A 50 0.830 -12.852 3.451 1.00 0.00 O ATOM 690 CB MET A 50 2.713 -14.755 5.441 1.00 0.00 C ATOM 691 CG MET A 50 3.027 -16.092 6.114 1.00 0.00 C ATOM 692 SD MET A 50 1.602 -16.670 7.020 1.00 0.00 S ATOM 693 CE MET A 50 2.347 -16.967 8.614 1.00 0.00 C ATOM 0 H MET A 50 2.476 -14.274 2.570 1.00 0.00 H new ATOM 0 HA MET A 50 1.010 -15.786 4.605 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.618 -14.352 4.986 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.385 -14.035 6.190 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.313 -16.828 5.363 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.875 -15.978 6.789 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.590 -17.335 9.306 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.138 -17.710 8.513 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.768 -16.038 8.998 1.00 0.00 H new ATOM 703 N GLU A 51 -0.111 -13.583 5.374 1.00 0.00 N ATOM 704 CA GLU A 51 -1.020 -12.455 5.488 1.00 0.00 C ATOM 705 C GLU A 51 -0.343 -11.300 6.229 1.00 0.00 C ATOM 706 O GLU A 51 0.373 -11.519 7.205 1.00 0.00 O ATOM 707 CB GLU A 51 -2.319 -12.866 6.184 1.00 0.00 C ATOM 708 CG GLU A 51 -3.360 -13.338 5.168 1.00 0.00 C ATOM 709 CD GLU A 51 -3.597 -14.845 5.284 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.217 -15.246 6.292 1.00 0.00 O ATOM 711 OE2 GLU A 51 -3.152 -15.562 4.362 1.00 0.00 O ATOM 0 H GLU A 51 -0.187 -14.269 6.125 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.275 -12.117 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.116 -13.663 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.715 -12.023 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.297 -12.806 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.025 -13.096 4.160 1.00 0.00 H new ATOM 718 N HIS A 52 -0.592 -10.096 5.736 1.00 0.00 N ATOM 719 CA HIS A 52 -0.016 -8.906 6.339 1.00 0.00 C ATOM 720 C HIS A 52 -1.095 -7.833 6.490 1.00 0.00 C ATOM 721 O HIS A 52 -1.980 -7.713 5.643 1.00 0.00 O ATOM 722 CB HIS A 52 1.194 -8.422 5.536 1.00 0.00 C ATOM 723 CG HIS A 52 2.022 -9.536 4.941 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.499 -10.597 5.691 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.452 -9.743 3.663 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.184 -11.400 4.890 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.154 -10.868 3.634 1.00 0.00 N ATOM 0 H HIS A 52 -1.185 -9.919 4.925 1.00 0.00 H new ATOM 0 HA HIS A 52 0.354 -9.142 7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.847 -7.772 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.829 -7.818 6.184 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.349 -10.737 6.690 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.254 -9.100 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.679 -12.315 5.180 1.00 0.00 H new ATOM 735 N THR A 53 -0.987 -7.079 7.574 1.00 0.00 N ATOM 736 CA THR A 53 -1.943 -6.019 7.847 1.00 0.00 C ATOM 737 C THR A 53 -1.241 -4.660 7.868 1.00 0.00 C ATOM 738 O THR A 53 -0.607 -4.300 8.859 1.00 0.00 O ATOM 739 CB THR A 53 -2.659 -6.354 9.157 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.387 -7.542 8.861 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.741 -5.332 9.511 1.00 0.00 C ATOM 0 H THR A 53 -0.252 -7.181 8.274 1.00 0.00 H new ATOM 0 HA THR A 53 -2.693 -5.950 7.059 1.00 0.00 H new ATOM 0 HB THR A 53 -1.930 -6.405 9.966 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.880 -7.831 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.218 -5.617 10.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.289 -4.346 9.619 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.488 -5.304 8.718 1.00 0.00 H new ATOM 749 N ILE A 54 -1.378 -3.941 6.763 1.00 0.00 N ATOM 750 CA ILE A 54 -0.765 -2.630 6.642 1.00 0.00 C ATOM 751 C ILE A 54 -1.548 -1.625 7.490 1.00 0.00 C ATOM 752 O ILE A 54 -2.612 -1.160 7.083 1.00 0.00 O ATOM 753 CB ILE A 54 -0.642 -2.229 5.171 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.573 -2.893 4.521 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.614 -0.707 5.017 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.265 -4.341 4.133 1.00 0.00 C ATOM 0 H ILE A 54 -1.905 -4.242 5.943 1.00 0.00 H new ATOM 0 HA ILE A 54 0.254 -2.649 7.029 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.526 -2.589 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.869 -2.331 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.417 -2.869 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.526 -0.450 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.535 -0.284 5.418 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.239 -0.302 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.146 -4.790 3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.007 -4.907 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.563 -4.360 3.425 1.00 0.00 H new ATOM 768 N LYS A 55 -0.992 -1.320 8.653 1.00 0.00 N ATOM 769 CA LYS A 55 -1.626 -0.380 9.562 1.00 0.00 C ATOM 770 C LYS A 55 -1.306 1.048 9.115 1.00 0.00 C ATOM 771 O LYS A 55 -0.227 1.309 8.584 1.00 0.00 O ATOM 772 CB LYS A 55 -1.222 -0.676 11.007 1.00 0.00 C ATOM 773 CG LYS A 55 -1.686 -2.072 11.430 1.00 0.00 C ATOM 774 CD LYS A 55 -2.189 -2.068 12.875 1.00 0.00 C ATOM 775 CE LYS A 55 -3.317 -3.084 13.065 1.00 0.00 C ATOM 776 NZ LYS A 55 -2.903 -4.148 14.007 1.00 0.00 N ATOM 0 H LYS A 55 -0.109 -1.707 8.987 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.710 -0.491 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.139 -0.602 11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.656 0.072 11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.480 -2.412 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.862 -2.779 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.366 -2.302 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.544 -1.071 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.207 -2.581 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.584 -3.524 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.680 -4.829 14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.067 -4.639 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.671 -3.725 14.928 1.00 0.00 H new ATOM 790 N SER A 56 -2.262 1.935 9.346 1.00 0.00 N ATOM 791 CA SER A 56 -2.096 3.330 8.974 1.00 0.00 C ATOM 792 C SER A 56 -0.969 3.960 9.796 1.00 0.00 C ATOM 793 O SER A 56 -0.827 3.672 10.983 1.00 0.00 O ATOM 794 CB SER A 56 -3.397 4.111 9.171 1.00 0.00 C ATOM 795 OG SER A 56 -3.246 5.490 8.843 1.00 0.00 O ATOM 0 H SER A 56 -3.155 1.715 9.787 1.00 0.00 H new ATOM 0 HA SER A 56 -1.834 3.373 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.180 3.674 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.722 4.018 10.207 1.00 0.00 H new ATOM 0 HG SER A 56 -3.247 6.024 9.665 1.00 0.00 H new ATOM 801 N PRO A 57 -0.177 4.829 9.113 1.00 0.00 N ATOM 802 CA PRO A 57 0.932 5.502 9.767 1.00 0.00 C ATOM 803 C PRO A 57 0.432 6.622 10.682 1.00 0.00 C ATOM 804 O PRO A 57 1.021 6.881 11.730 1.00 0.00 O ATOM 805 CB PRO A 57 1.809 6.009 8.633 1.00 0.00 C ATOM 806 CG PRO A 57 0.928 6.009 7.394 1.00 0.00 C ATOM 807 CD PRO A 57 -0.316 5.194 7.706 1.00 0.00 C ATOM 0 HA PRO A 57 1.496 4.840 10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.183 7.010 8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.678 5.366 8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.657 7.028 7.118 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.462 5.581 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.223 5.774 7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.379 4.310 7.072 1.00 0.00 H new ATOM 815 N LYS A 58 -0.649 7.256 10.252 1.00 0.00 N ATOM 816 CA LYS A 58 -1.234 8.342 11.019 1.00 0.00 C ATOM 817 C LYS A 58 -2.650 8.617 10.507 1.00 0.00 C ATOM 818 O LYS A 58 -3.000 8.220 9.396 1.00 0.00 O ATOM 819 CB LYS A 58 -0.321 9.569 10.994 1.00 0.00 C ATOM 820 CG LYS A 58 -0.069 10.035 9.558 1.00 0.00 C ATOM 821 CD LYS A 58 0.120 11.552 9.499 1.00 0.00 C ATOM 822 CE LYS A 58 -0.840 12.185 8.490 1.00 0.00 C ATOM 823 NZ LYS A 58 -0.092 12.978 7.490 1.00 0.00 N ATOM 0 H LYS A 58 -1.135 7.038 9.382 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.323 8.062 12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.775 10.377 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.628 9.331 11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.817 9.539 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.908 9.745 8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.049 11.982 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.149 11.783 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.415 11.407 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.554 12.824 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.759 13.401 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.438 13.733 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.572 12.359 6.982 1.00 0.00 H new ATOM 837 N ASP A 59 -3.425 9.295 11.340 1.00 0.00 N ATOM 838 CA ASP A 59 -4.794 9.628 10.985 1.00 0.00 C ATOM 839 C ASP A 59 -4.787 10.618 9.818 1.00 0.00 C ATOM 840 O ASP A 59 -3.910 11.475 9.731 1.00 0.00 O ATOM 841 CB ASP A 59 -5.522 10.287 12.158 1.00 0.00 C ATOM 842 CG ASP A 59 -4.662 11.220 13.012 1.00 0.00 C ATOM 843 OD1 ASP A 59 -4.438 12.362 12.555 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.248 10.771 14.103 1.00 0.00 O ATOM 0 H ASP A 59 -3.131 9.623 12.260 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.306 8.705 10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.368 10.853 11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.929 9.505 12.799 1.00 0.00 H new ATOM 849 N GLY A 60 -5.776 10.465 8.949 1.00 0.00 N ATOM 850 CA GLY A 60 -5.895 11.334 7.791 1.00 0.00 C ATOM 851 C GLY A 60 -6.996 10.844 6.848 1.00 0.00 C ATOM 852 O GLY A 60 -7.425 9.695 6.934 1.00 0.00 O ATOM 0 H GLY A 60 -6.502 9.752 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.116 12.351 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.944 11.369 7.259 1.00 0.00 H new ATOM 856 N THR A 61 -7.421 11.740 5.969 1.00 0.00 N ATOM 857 CA THR A 61 -8.463 11.413 5.011 1.00 0.00 C ATOM 858 C THR A 61 -7.847 10.986 3.678 1.00 0.00 C ATOM 859 O THR A 61 -7.376 11.824 2.911 1.00 0.00 O ATOM 860 CB THR A 61 -9.392 12.623 4.892 1.00 0.00 C ATOM 861 OG1 THR A 61 -10.244 12.520 6.030 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.346 12.513 3.701 1.00 0.00 C ATOM 0 H THR A 61 -7.062 12.692 5.900 1.00 0.00 H new ATOM 0 HA THR A 61 -9.056 10.562 5.346 1.00 0.00 H new ATOM 0 HB THR A 61 -8.796 13.531 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.678 11.641 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.983 13.397 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.770 12.440 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.966 11.623 3.812 1.00 0.00 H new ATOM 870 N VAL A 62 -7.869 9.682 3.443 1.00 0.00 N ATOM 871 CA VAL A 62 -7.319 9.134 2.215 1.00 0.00 C ATOM 872 C VAL A 62 -7.743 10.009 1.034 1.00 0.00 C ATOM 873 O VAL A 62 -8.935 10.171 0.774 1.00 0.00 O ATOM 874 CB VAL A 62 -7.744 7.672 2.058 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.455 7.166 0.643 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.065 6.788 3.106 1.00 0.00 C ATOM 0 H VAL A 62 -8.259 8.989 4.082 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.230 9.141 2.249 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.820 7.617 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.766 6.125 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.006 7.769 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.387 7.243 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.384 5.754 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.983 6.852 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.343 7.127 4.104 1.00 0.00 H new ATOM 886 N LYS A 63 -6.745 10.552 0.352 1.00 0.00 N ATOM 887 CA LYS A 63 -7.000 11.407 -0.794 1.00 0.00 C ATOM 888 C LYS A 63 -7.304 10.538 -2.016 1.00 0.00 C ATOM 889 O LYS A 63 -8.327 10.720 -2.673 1.00 0.00 O ATOM 890 CB LYS A 63 -5.839 12.381 -1.005 1.00 0.00 C ATOM 891 CG LYS A 63 -6.068 13.247 -2.245 1.00 0.00 C ATOM 892 CD LYS A 63 -4.987 14.322 -2.371 1.00 0.00 C ATOM 893 CE LYS A 63 -5.159 15.125 -3.662 1.00 0.00 C ATOM 894 NZ LYS A 63 -3.979 14.954 -4.539 1.00 0.00 N ATOM 0 H LYS A 63 -5.758 10.416 0.572 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.878 12.028 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.730 13.018 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.908 11.825 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.067 12.619 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.049 13.718 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.034 14.992 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.002 13.855 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.058 14.798 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.294 16.180 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.112 15.505 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.127 15.288 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.868 13.948 -4.779 1.00 0.00 H new ATOM 908 N LYS A 64 -6.395 9.612 -2.284 1.00 0.00 N ATOM 909 CA LYS A 64 -6.552 8.714 -3.416 1.00 0.00 C ATOM 910 C LYS A 64 -5.730 7.447 -3.173 1.00 0.00 C ATOM 911 O LYS A 64 -4.664 7.501 -2.563 1.00 0.00 O ATOM 912 CB LYS A 64 -6.205 9.432 -4.721 1.00 0.00 C ATOM 913 CG LYS A 64 -5.869 8.428 -5.826 1.00 0.00 C ATOM 914 CD LYS A 64 -4.360 8.187 -5.908 1.00 0.00 C ATOM 915 CE LYS A 64 -3.860 8.333 -7.347 1.00 0.00 C ATOM 916 NZ LYS A 64 -2.428 8.708 -7.362 1.00 0.00 N ATOM 0 H LYS A 64 -5.547 9.464 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.592 8.405 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.044 10.054 -5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.357 10.098 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.381 7.485 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.234 8.800 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.839 8.896 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.127 7.189 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.002 7.396 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.446 9.091 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.057 8.622 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.323 9.690 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.897 8.076 -6.730 1.00 0.00 H new ATOM 930 N VAL A 65 -6.258 6.335 -3.664 1.00 0.00 N ATOM 931 CA VAL A 65 -5.586 5.056 -3.509 1.00 0.00 C ATOM 932 C VAL A 65 -4.723 4.784 -4.743 1.00 0.00 C ATOM 933 O VAL A 65 -5.051 5.226 -5.843 1.00 0.00 O ATOM 934 CB VAL A 65 -6.614 3.954 -3.244 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.955 2.732 -2.601 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.766 4.474 -2.381 1.00 0.00 C ATOM 0 H VAL A 65 -7.143 6.293 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.921 5.077 -2.646 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.028 3.645 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.708 1.964 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.187 2.340 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.500 3.020 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.482 3.671 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.375 4.824 -1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.262 5.298 -2.894 1.00 0.00 H new ATOM 946 N PHE A 66 -3.637 4.059 -4.518 1.00 0.00 N ATOM 947 CA PHE A 66 -2.725 3.724 -5.598 1.00 0.00 C ATOM 948 C PHE A 66 -2.874 2.256 -6.006 1.00 0.00 C ATOM 949 O PHE A 66 -2.624 1.900 -7.156 1.00 0.00 O ATOM 950 CB PHE A 66 -1.307 3.953 -5.072 1.00 0.00 C ATOM 951 CG PHE A 66 -0.946 5.427 -4.877 1.00 0.00 C ATOM 952 CD1 PHE A 66 -0.638 6.200 -5.953 1.00 0.00 C ATOM 953 CD2 PHE A 66 -0.934 5.965 -3.628 1.00 0.00 C ATOM 954 CE1 PHE A 66 -0.303 7.568 -5.772 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.600 7.333 -3.447 1.00 0.00 C ATOM 956 CZ PHE A 66 -0.292 8.106 -4.522 1.00 0.00 C ATOM 0 H PHE A 66 -3.368 3.694 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.940 4.340 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.195 3.433 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.596 3.504 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.648 5.773 -6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.179 5.351 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.057 8.181 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.591 7.760 -2.455 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.039 9.147 -4.384 1.00 0.00 H new ATOM 966 N TYR A 67 -3.280 1.445 -5.040 1.00 0.00 N ATOM 967 CA TYR A 67 -3.465 0.025 -5.284 1.00 0.00 C ATOM 968 C TYR A 67 -4.776 -0.471 -4.671 1.00 0.00 C ATOM 969 O TYR A 67 -5.143 -0.065 -3.569 1.00 0.00 O ATOM 970 CB TYR A 67 -2.295 -0.678 -4.593 1.00 0.00 C ATOM 971 CG TYR A 67 -0.936 -0.407 -5.241 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.740 -0.690 -6.577 1.00 0.00 C ATOM 973 CD2 TYR A 67 0.094 0.121 -4.489 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.539 -0.435 -7.187 1.00 0.00 C ATOM 975 CE2 TYR A 67 1.373 0.376 -5.099 1.00 0.00 C ATOM 976 CZ TYR A 67 1.533 0.086 -6.418 1.00 0.00 C ATOM 977 OH TYR A 67 2.741 0.327 -6.994 1.00 0.00 O ATOM 0 H TYR A 67 -3.486 1.744 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.502 -0.178 -6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.259 -0.361 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.479 -1.752 -4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.546 -1.103 -7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.059 0.343 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.706 -0.652 -8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.187 0.788 -4.522 1.00 0.00 H new ATOM 0 HH TYR A 67 3.353 0.700 -6.326 1.00 0.00 H new ATOM 987 N ARG A 68 -5.447 -1.341 -5.411 1.00 0.00 N ATOM 988 CA ARG A 68 -6.710 -1.896 -4.954 1.00 0.00 C ATOM 989 C ARG A 68 -6.613 -3.419 -4.849 1.00 0.00 C ATOM 990 O ARG A 68 -5.567 -3.999 -5.136 1.00 0.00 O ATOM 991 CB ARG A 68 -7.850 -1.528 -5.906 1.00 0.00 C ATOM 992 CG ARG A 68 -8.318 -0.091 -5.671 1.00 0.00 C ATOM 993 CD ARG A 68 -9.840 0.016 -5.785 1.00 0.00 C ATOM 994 NE ARG A 68 -10.203 1.108 -6.716 1.00 0.00 N ATOM 995 CZ ARG A 68 -11.454 1.548 -6.906 1.00 0.00 C ATOM 996 NH1 ARG A 68 -12.470 0.993 -6.231 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.690 2.544 -7.771 1.00 0.00 N ATOM 0 H ARG A 68 -5.140 -1.676 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.922 -1.474 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.518 -1.642 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.685 -2.214 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.000 0.242 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.848 0.572 -6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.253 -0.928 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.274 0.205 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.454 1.553 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.291 0.235 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.422 1.328 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.917 2.967 -8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.643 2.879 -7.916 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.718 -4.023 -4.437 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.771 -5.468 -4.291 1.00 0.00 C ATOM 1013 C GLU A 69 -7.280 -6.149 -5.571 1.00 0.00 C ATOM 1014 O GLU A 69 -7.728 -5.815 -6.667 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.184 -5.931 -3.931 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.744 -5.121 -2.760 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.099 -4.506 -3.117 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.876 -5.205 -3.803 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.326 -3.351 -2.697 1.00 0.00 O ATOM 0 H GLU A 69 -8.583 -3.538 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.110 -5.756 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.837 -5.824 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.169 -6.990 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.851 -5.764 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.042 -4.332 -2.490 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.367 -7.092 -5.389 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.811 -7.823 -6.515 1.00 0.00 C ATOM 1028 C GLY A 70 -4.552 -7.135 -7.047 1.00 0.00 C ATOM 1029 O GLY A 70 -3.724 -7.768 -7.700 1.00 0.00 O ATOM 0 H GLY A 70 -5.998 -7.367 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.572 -8.842 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.554 -7.895 -7.309 1.00 0.00 H new ATOM 1033 N ALA A 71 -4.448 -5.848 -6.748 1.00 0.00 N ATOM 1034 CA ALA A 71 -3.305 -5.068 -7.189 1.00 0.00 C ATOM 1035 C ALA A 71 -2.030 -5.645 -6.570 1.00 0.00 C ATOM 1036 O ALA A 71 -2.075 -6.256 -5.503 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.517 -3.598 -6.821 1.00 0.00 C ATOM 0 H ALA A 71 -5.137 -5.327 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.200 -5.121 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.659 -3.013 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.419 -3.227 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.624 -3.505 -5.740 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.923 -5.433 -7.267 1.00 0.00 N ATOM 1044 CA GLN A 72 0.362 -5.924 -6.800 1.00 0.00 C ATOM 1045 C GLN A 72 1.295 -4.754 -6.483 1.00 0.00 C ATOM 1046 O GLN A 72 1.678 -4.001 -7.377 1.00 0.00 O ATOM 1047 CB GLN A 72 0.994 -6.867 -7.826 1.00 0.00 C ATOM 1048 CG GLN A 72 2.491 -7.039 -7.563 1.00 0.00 C ATOM 1049 CD GLN A 72 2.906 -8.506 -7.696 1.00 0.00 C ATOM 1050 OE1 GLN A 72 2.578 -9.348 -6.877 1.00 0.00 O ATOM 1051 NE2 GLN A 72 3.645 -8.764 -8.772 1.00 0.00 N ATOM 0 H GLN A 72 -0.890 -4.927 -8.152 1.00 0.00 H new ATOM 0 HA GLN A 72 0.200 -6.492 -5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.500 -7.838 -7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.841 -6.473 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.060 -6.431 -8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.732 -6.678 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.884 -8.012 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.972 -9.714 -8.950 1.00 0.00 H new ATOM 1060 N ALA A 73 1.633 -4.637 -5.208 1.00 0.00 N ATOM 1061 CA ALA A 73 2.514 -3.571 -4.762 1.00 0.00 C ATOM 1062 C ALA A 73 3.953 -4.090 -4.717 1.00 0.00 C ATOM 1063 O ALA A 73 4.182 -5.298 -4.743 1.00 0.00 O ATOM 1064 CB ALA A 73 2.039 -3.051 -3.403 1.00 0.00 C ATOM 0 H ALA A 73 1.313 -5.263 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 73 2.487 -2.734 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.700 -2.251 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.023 -2.667 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.056 -3.863 -2.677 1.00 0.00 H new ATOM 1070 N ASN A 74 4.885 -3.150 -4.650 1.00 0.00 N ATOM 1071 CA ASN A 74 6.295 -3.497 -4.601 1.00 0.00 C ATOM 1072 C ASN A 74 6.898 -2.982 -3.293 1.00 0.00 C ATOM 1073 O ASN A 74 6.264 -2.209 -2.576 1.00 0.00 O ATOM 1074 CB ASN A 74 7.061 -2.855 -5.760 1.00 0.00 C ATOM 1075 CG ASN A 74 7.901 -3.894 -6.505 1.00 0.00 C ATOM 1076 OD1 ASN A 74 8.589 -4.712 -5.916 1.00 0.00 O ATOM 1077 ND2 ASN A 74 7.808 -3.816 -7.829 1.00 0.00 N ATOM 0 H ASN A 74 4.691 -2.149 -4.629 1.00 0.00 H new ATOM 0 HA ASN A 74 6.378 -4.582 -4.671 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.359 -2.388 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.708 -2.064 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.331 -4.465 -8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.213 -3.107 -8.258 1.00 0.00 H new ATOM 1084 N ARG A 75 8.114 -3.431 -3.021 1.00 0.00 N ATOM 1085 CA ARG A 75 8.809 -3.025 -1.812 1.00 0.00 C ATOM 1086 C ARG A 75 9.017 -1.509 -1.802 1.00 0.00 C ATOM 1087 O ARG A 75 9.694 -0.966 -2.673 1.00 0.00 O ATOM 1088 CB ARG A 75 10.168 -3.719 -1.698 1.00 0.00 C ATOM 1089 CG ARG A 75 10.700 -3.652 -0.265 1.00 0.00 C ATOM 1090 CD ARG A 75 11.233 -5.013 0.187 1.00 0.00 C ATOM 1091 NE ARG A 75 12.307 -4.829 1.189 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.115 -5.810 1.614 1.00 0.00 C ATOM 1093 NH1 ARG A 75 12.976 -7.050 1.126 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.061 -5.550 2.526 1.00 0.00 N ATOM 0 H ARG A 75 8.636 -4.073 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 75 8.192 -3.316 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.076 -4.760 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.879 -3.247 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.494 -2.908 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.905 -3.327 0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.424 -5.606 0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.616 -5.566 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 75 12.440 -3.897 1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.255 -7.247 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.591 -7.797 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.166 -4.606 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.676 -6.296 2.850 1.00 0.00 H new ATOM 1108 N HIS A 76 8.420 -0.869 -0.807 1.00 0.00 N ATOM 1109 CA HIS A 76 8.531 0.574 -0.673 1.00 0.00 C ATOM 1110 C HIS A 76 7.772 1.255 -1.813 1.00 0.00 C ATOM 1111 O HIS A 76 8.382 1.824 -2.717 1.00 0.00 O ATOM 1112 CB HIS A 76 9.998 1.001 -0.598 1.00 0.00 C ATOM 1113 CG HIS A 76 10.519 1.168 0.809 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.862 1.335 1.097 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.863 1.193 2.005 1.00 0.00 C ATOM 1116 CE1 HIS A 76 11.997 1.453 2.410 1.00 0.00 C ATOM 1117 NE2 HIS A 76 10.757 1.364 2.971 1.00 0.00 N ATOM 0 H HIS A 76 7.858 -1.323 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 76 8.072 0.893 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.608 0.260 -1.115 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.119 1.943 -1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.797 1.091 2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.926 1.595 2.942 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.551 1.420 3.968 1.00 0.00 H new ATOM 1125 N THR A 77 6.452 1.175 -1.732 1.00 0.00 N ATOM 1126 CA THR A 77 5.603 1.777 -2.746 1.00 0.00 C ATOM 1127 C THR A 77 4.416 2.490 -2.094 1.00 0.00 C ATOM 1128 O THR A 77 4.023 2.154 -0.978 1.00 0.00 O ATOM 1129 CB THR A 77 5.187 0.680 -3.728 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.763 -0.392 -2.890 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.376 0.102 -4.498 1.00 0.00 C ATOM 0 H THR A 77 5.950 0.703 -0.980 1.00 0.00 H new ATOM 0 HA THR A 77 6.138 2.546 -3.303 1.00 0.00 H new ATOM 0 HB THR A 77 4.458 1.080 -4.433 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.401 -1.133 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.026 -0.672 -5.181 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.861 0.895 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.089 -0.329 -3.796 1.00 0.00 H new ATOM 1139 N PRO A 78 3.865 3.487 -2.837 1.00 0.00 N ATOM 1140 CA PRO A 78 2.732 4.250 -2.343 1.00 0.00 C ATOM 1141 C PRO A 78 1.442 3.430 -2.423 1.00 0.00 C ATOM 1142 O PRO A 78 1.004 3.059 -3.511 1.00 0.00 O ATOM 1143 CB PRO A 78 2.694 5.501 -3.205 1.00 0.00 C ATOM 1144 CG PRO A 78 3.513 5.178 -4.444 1.00 0.00 C ATOM 1145 CD PRO A 78 4.304 3.912 -4.163 1.00 0.00 C ATOM 0 HA PRO A 78 2.828 4.511 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.669 5.761 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.112 6.355 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.861 5.037 -5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.185 6.002 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.103 3.145 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.377 4.103 -4.183 1.00 0.00 H new ATOM 1153 N LEU A 79 0.871 3.170 -1.256 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.360 2.401 -1.180 1.00 0.00 C ATOM 1155 C LEU A 79 -1.556 3.354 -1.230 1.00 0.00 C ATOM 1156 O LEU A 79 -2.425 3.220 -2.090 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.348 1.493 0.052 1.00 0.00 C ATOM 1158 CG LEU A 79 0.856 0.559 0.185 1.00 0.00 C ATOM 1159 CD1 LEU A 79 1.054 0.123 1.639 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.731 -0.637 -0.760 1.00 0.00 C ATOM 0 H LEU A 79 1.238 3.478 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.447 1.735 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.396 2.121 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.254 0.887 0.041 1.00 0.00 H new ATOM 0 HG LEU A 79 1.749 1.110 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.916 -0.540 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.223 1.001 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.164 -0.403 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.600 -1.284 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.173 -1.197 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.676 -0.283 -1.790 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.562 4.295 -0.297 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.637 5.269 -0.225 1.00 0.00 C ATOM 1174 C VAL A 80 -2.046 6.654 0.047 1.00 0.00 C ATOM 1175 O VAL A 80 -0.933 6.769 0.558 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.662 4.840 0.827 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.542 3.704 0.302 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.973 4.442 2.134 1.00 0.00 C ATOM 0 H VAL A 80 -0.840 4.403 0.415 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.169 5.322 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.306 5.694 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.262 3.417 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.074 4.038 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.918 2.846 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.724 4.141 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.294 3.610 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.409 5.291 2.521 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.818 7.672 -0.307 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.385 9.044 -0.108 1.00 0.00 C ATOM 1190 C GLU A 81 -3.291 9.745 0.907 1.00 0.00 C ATOM 1191 O GLU A 81 -4.475 9.428 1.010 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.353 9.807 -1.433 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.156 10.758 -1.491 1.00 0.00 C ATOM 1194 CD GLU A 81 -1.447 12.052 -0.729 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -2.521 12.635 -0.989 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -0.588 12.429 0.098 1.00 0.00 O ATOM 0 H GLU A 81 -3.741 7.573 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.370 9.030 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.301 9.101 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.277 10.372 -1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.279 10.271 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.920 10.989 -2.530 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.700 10.684 1.630 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.439 11.432 2.633 1.00 0.00 C ATOM 1205 C PHE A 82 -3.717 12.860 2.158 1.00 0.00 C ATOM 1206 O PHE A 82 -2.989 13.392 1.322 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.563 11.486 3.887 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.702 10.263 4.796 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.897 9.984 5.382 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.630 9.456 5.017 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -4.025 8.849 6.226 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.759 8.321 5.861 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.953 8.041 6.447 1.00 0.00 C ATOM 0 H PHE A 82 -1.718 10.944 1.542 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.397 10.949 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.520 11.585 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.816 12.380 4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.748 10.625 5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.681 9.678 4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.973 8.627 6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.908 7.680 6.037 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.051 7.177 7.088 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.773 13.438 2.711 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.156 14.794 2.354 1.00 0.00 C ATOM 1225 C GLU A 83 -4.162 15.798 2.939 1.00 0.00 C ATOM 1226 O GLU A 83 -3.378 15.457 3.824 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.582 15.100 2.817 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.600 14.740 1.733 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.794 15.901 0.756 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.958 16.013 -0.166 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.774 16.651 0.954 1.00 0.00 O ATOM 0 H GLU A 83 -5.375 12.993 3.403 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.135 14.883 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.801 14.540 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.668 16.158 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.262 13.857 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.554 14.485 2.195 1.00 0.00 H new