USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1153 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 58 MET CE :methyl 178:sc= -3.05! (180deg=-3.13!) USER MOD Set 1.2: A 118 TYR OH : rot 178:sc= 1.29 USER MOD Set 2.1: A 104 HIS : no HD1:sc= 0.701 K(o=0.7,f=-6.2!) USER MOD Set 2.2: A 116 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 86 THR OG1 : rot 20:sc= 1.26 USER MOD Set 3.2: A 88 HIS : +bothHN:sc= -1.63! C(o=-0.37!,f=-9.1!) USER MOD Set 4.1: A 60 ASN : amide:sc= -4.15! C(o=-6.7!,f=-10!) USER MOD Set 4.2: A 67 THR OG1 : rot 131:sc= -0.169 USER MOD Set 4.3: A 69 HIS : +bothHN:sc= -2.39! C(o=-6.7!,f=-12!) USER MOD Set 5.1: A 43 LYS NZ :NH3+ -176:sc= 0.299 (180deg=-0.791) USER MOD Set 5.2: A 127 MET CE :methyl -161:sc= -2.77 (180deg=-4.65) USER MOD Set 5.3: A 140 TYR OH : rot 172:sc= 1.18 USER MOD Set 6.1: A 22 TYR OH : rot 160:sc= 0.371 USER MOD Set 6.2: A 129 MET CE :methyl -128:sc= -2.26 (180deg=-3.23!) USER MOD Single : A 2 THR OG1 : rot 36:sc= 0.371 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.226 F(o=-1.1,f=-0.23) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 1.27 (180deg=1.1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 175:sc= -2.04 (180deg=-2.17) USER MOD Single : A 34 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 1.21 (180deg=1.09) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 50 SER OG : rot -144:sc= -3.25! USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.16) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.758 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.688 USER MOD Single : A 63 THR OG1 : rot 170:sc= -3.99! USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.116 (180deg=-0.437) USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.16) USER MOD Single : A 68 HIS : no HD1:sc= -0.0881 K(o=-0.088,f=-0.61) USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= -0.481 (180deg=-1.97!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.552 F(o=-1.3!,f=-0.55) USER MOD Single : A 89 LYS NZ :NH3+ 157:sc= -0.0132 (180deg=-0.331) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0.885 (180deg=0.885) USER MOD Single : A 98 ASN : amide:sc= -0.113 K(o=-0.11,f=-7!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.1) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 137:sc= -0.12 (180deg=-0.553) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -163:sc= -0.072 (180deg=-0.329) USER MOD Single : A 143 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 210 N THR A 2 2.839 -17.478 -0.185 1.00 0.86 N ATOM 211 CA THR A 2 1.951 -17.100 0.904 1.00 0.81 C ATOM 212 C THR A 2 2.582 -15.970 1.712 1.00 0.66 C ATOM 213 O THR A 2 3.792 -15.982 1.960 1.00 0.64 O ATOM 214 CB THR A 2 1.672 -18.306 1.815 1.00 0.86 C ATOM 215 OG1 THR A 2 1.476 -19.481 1.014 1.00 0.99 O ATOM 216 CG2 THR A 2 0.436 -18.066 2.670 1.00 0.92 C ATOM 0 HA THR A 2 1.005 -16.759 0.484 1.00 0.81 H new ATOM 0 HB THR A 2 2.530 -18.444 2.473 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.064 -19.445 0.231 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.259 -18.933 3.306 1.00 0.92 H new ATOM 0 HG22 THR A 2 0.590 -17.185 3.293 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.428 -17.908 2.024 1.00 0.92 H new ATOM 224 N LEU A 3 1.760 -15.004 2.120 1.00 0.59 N ATOM 225 CA LEU A 3 2.254 -13.767 2.714 1.00 0.50 C ATOM 226 C LEU A 3 3.115 -14.033 3.939 1.00 0.49 C ATOM 227 O LEU A 3 2.652 -14.616 4.922 1.00 0.53 O ATOM 228 CB LEU A 3 1.098 -12.852 3.110 1.00 0.49 C ATOM 229 CG LEU A 3 1.106 -11.454 2.482 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.239 -10.516 3.289 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.511 -10.892 2.392 1.00 0.49 C ATOM 0 H LEU A 3 0.744 -15.057 2.048 1.00 0.59 H new ATOM 0 HA LEU A 3 2.865 -13.278 1.955 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.163 -13.344 2.843 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.102 -12.742 4.194 1.00 0.49 H new ATOM 0 HG LEU A 3 0.709 -11.545 1.471 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.252 -9.526 2.834 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.784 -10.893 3.309 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.622 -10.452 4.307 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.478 -9.900 1.942 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.940 -10.823 3.392 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.127 -11.549 1.778 1.00 0.49 H new ATOM 243 N PRO A 4 4.386 -13.619 3.881 1.00 0.50 N ATOM 244 CA PRO A 4 5.282 -13.655 5.034 1.00 0.54 C ATOM 245 C PRO A 4 4.737 -12.809 6.175 1.00 0.47 C ATOM 246 O PRO A 4 4.341 -11.658 5.970 1.00 0.42 O ATOM 247 CB PRO A 4 6.589 -13.049 4.509 1.00 0.60 C ATOM 248 CG PRO A 4 6.502 -13.134 3.023 1.00 0.61 C ATOM 249 CD PRO A 4 5.041 -13.085 2.678 1.00 0.52 C ATOM 0 HA PRO A 4 5.405 -14.664 5.429 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.701 -12.015 4.837 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.453 -13.598 4.883 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.039 -12.309 2.555 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.956 -14.056 2.660 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.714 -12.068 2.461 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.816 -13.687 1.798 1.00 0.52 H new ATOM 257 N ASP A 5 4.710 -13.389 7.371 1.00 0.51 N ATOM 258 CA ASP A 5 4.200 -12.710 8.564 1.00 0.51 C ATOM 259 C ASP A 5 4.933 -11.396 8.823 1.00 0.45 C ATOM 260 O ASP A 5 4.419 -10.514 9.507 1.00 0.44 O ATOM 261 CB ASP A 5 4.315 -13.624 9.788 1.00 0.63 C ATOM 262 CG ASP A 5 5.747 -14.024 10.089 1.00 1.50 C ATOM 263 OD1 ASP A 5 6.340 -13.469 11.033 1.00 2.09 O ATOM 264 OD2 ASP A 5 6.292 -14.889 9.368 1.00 2.19 O ATOM 0 H ASP A 5 5.039 -14.339 7.543 1.00 0.51 H new ATOM 0 HA ASP A 5 3.150 -12.478 8.385 1.00 0.51 H new ATOM 0 HB2 ASP A 5 3.894 -13.116 10.656 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.719 -14.521 9.623 1.00 0.63 H new ATOM 269 N LYS A 6 6.139 -11.283 8.279 1.00 0.45 N ATOM 270 CA LYS A 6 6.931 -10.061 8.367 1.00 0.45 C ATOM 271 C LYS A 6 6.202 -8.857 7.750 1.00 0.38 C ATOM 272 O LYS A 6 6.509 -7.709 8.073 1.00 0.42 O ATOM 273 CB LYS A 6 8.264 -10.281 7.650 1.00 0.56 C ATOM 274 CG LYS A 6 9.324 -9.242 7.971 1.00 1.10 C ATOM 275 CD LYS A 6 10.550 -9.409 7.083 1.00 1.64 C ATOM 276 CE LYS A 6 11.164 -10.794 7.213 1.00 2.01 C ATOM 277 NZ LYS A 6 12.258 -11.007 6.230 1.00 2.53 N ATOM 0 H LYS A 6 6.596 -12.036 7.764 1.00 0.45 H new ATOM 0 HA LYS A 6 7.096 -9.837 9.421 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.647 -11.267 7.913 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.089 -10.284 6.574 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.909 -8.243 7.837 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.616 -9.329 9.018 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.272 -9.232 6.044 1.00 1.64 H new ATOM 0 HD3 LYS A 6 11.294 -8.657 7.346 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.552 -10.926 8.223 1.00 2.01 H new ATOM 0 HE3 LYS A 6 10.392 -11.549 7.067 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 12.651 -11.962 6.350 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 11.883 -10.906 5.265 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 13.007 -10.302 6.386 1.00 2.53 H new ATOM 291 N PHE A 7 5.249 -9.109 6.855 1.00 0.36 N ATOM 292 CA PHE A 7 4.510 -8.026 6.214 1.00 0.35 C ATOM 293 C PHE A 7 3.155 -7.808 6.874 1.00 0.32 C ATOM 294 O PHE A 7 2.384 -6.961 6.435 1.00 0.35 O ATOM 295 CB PHE A 7 4.289 -8.315 4.724 1.00 0.39 C ATOM 296 CG PHE A 7 5.536 -8.274 3.886 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.457 -7.250 4.042 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.790 -9.262 2.949 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.607 -7.213 3.281 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.939 -9.229 2.184 1.00 0.54 C ATOM 301 CZ PHE A 7 7.831 -8.192 2.327 1.00 0.57 C ATOM 0 H PHE A 7 4.973 -10.045 6.560 1.00 0.36 H new ATOM 0 HA PHE A 7 5.113 -7.125 6.327 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.831 -9.299 4.622 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.578 -7.590 4.329 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.272 -6.472 4.768 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.082 -10.067 2.815 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.330 -6.424 3.428 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.137 -10.018 1.473 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.706 -8.141 1.696 1.00 0.57 H new ATOM 311 N LEU A 8 2.867 -8.554 7.930 1.00 0.30 N ATOM 312 CA LEU A 8 1.548 -8.518 8.535 1.00 0.29 C ATOM 313 C LEU A 8 1.509 -7.591 9.743 1.00 0.29 C ATOM 314 O LEU A 8 2.516 -7.376 10.422 1.00 0.33 O ATOM 315 CB LEU A 8 1.112 -9.928 8.926 1.00 0.34 C ATOM 316 CG LEU A 8 0.975 -10.895 7.751 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.639 -12.293 8.235 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.086 -10.403 6.783 1.00 0.35 C ATOM 0 H LEU A 8 3.526 -9.188 8.382 1.00 0.30 H new ATOM 0 HA LEU A 8 0.851 -8.122 7.797 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.834 -10.335 9.634 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.155 -9.869 9.445 1.00 0.34 H new ATOM 0 HG LEU A 8 1.933 -10.936 7.232 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.547 -12.962 7.379 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.432 -12.651 8.892 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.304 -12.272 8.782 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.172 -11.102 5.951 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.044 -10.332 7.298 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.195 -9.421 6.403 1.00 0.35 H new ATOM 330 N GLY A 9 0.332 -7.045 9.989 1.00 0.32 N ATOM 331 CA GLY A 9 0.137 -6.125 11.082 1.00 0.33 C ATOM 332 C GLY A 9 -0.362 -4.781 10.599 1.00 0.31 C ATOM 333 O GLY A 9 -0.462 -4.544 9.394 1.00 0.52 O ATOM 0 H GLY A 9 -0.507 -7.228 9.438 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.578 -6.546 11.789 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.076 -5.993 11.619 1.00 0.33 H new ATOM 337 N THR A 10 -0.696 -3.908 11.531 1.00 0.34 N ATOM 338 CA THR A 10 -1.115 -2.567 11.197 1.00 0.35 C ATOM 339 C THR A 10 0.056 -1.609 11.373 1.00 0.32 C ATOM 340 O THR A 10 0.687 -1.579 12.429 1.00 0.40 O ATOM 341 CB THR A 10 -2.294 -2.123 12.082 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.291 -3.155 12.119 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.911 -0.843 11.548 1.00 0.99 C ATOM 0 H THR A 10 -0.684 -4.109 12.531 1.00 0.34 H new ATOM 0 HA THR A 10 -1.445 -2.554 10.158 1.00 0.35 H new ATOM 0 HB THR A 10 -1.919 -1.940 13.089 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.038 -2.868 12.685 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.742 -0.546 12.187 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.160 -0.053 11.539 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.274 -1.010 10.534 1.00 0.99 H new ATOM 351 N PHE A 11 0.363 -0.860 10.327 1.00 0.27 N ATOM 352 CA PHE A 11 1.497 0.053 10.333 1.00 0.27 C ATOM 353 C PHE A 11 1.039 1.496 10.139 1.00 0.28 C ATOM 354 O PHE A 11 0.281 1.785 9.211 1.00 0.32 O ATOM 355 CB PHE A 11 2.470 -0.308 9.202 1.00 0.31 C ATOM 356 CG PHE A 11 2.912 -1.744 9.188 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.957 -2.167 9.997 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.279 -2.671 8.379 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.359 -3.488 9.996 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.679 -3.991 8.373 1.00 0.43 C ATOM 361 CZ PHE A 11 3.740 -4.396 9.140 1.00 0.44 C ATOM 0 H PHE A 11 -0.163 -0.866 9.453 1.00 0.27 H new ATOM 0 HA PHE A 11 1.993 -0.040 11.299 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.997 -0.078 8.247 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.351 0.328 9.282 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.461 -1.456 10.634 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.463 -2.358 7.745 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.149 -3.815 10.655 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.153 -4.709 7.761 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.095 -5.414 9.081 1.00 0.44 H new ATOM 371 N LYS A 12 1.485 2.411 10.999 1.00 0.29 N ATOM 372 CA LYS A 12 1.223 3.827 10.762 1.00 0.33 C ATOM 373 C LYS A 12 2.432 4.498 10.100 1.00 0.27 C ATOM 374 O LYS A 12 3.575 4.266 10.493 1.00 0.69 O ATOM 375 CB LYS A 12 0.865 4.547 12.059 1.00 0.48 C ATOM 376 CG LYS A 12 1.956 4.512 13.112 1.00 0.78 C ATOM 377 CD LYS A 12 1.529 5.241 14.370 1.00 1.28 C ATOM 378 CE LYS A 12 1.251 6.712 14.100 1.00 1.72 C ATOM 379 NZ LYS A 12 0.826 7.432 15.326 1.00 2.19 N ATOM 0 H LYS A 12 2.016 2.204 11.845 1.00 0.29 H new ATOM 0 HA LYS A 12 0.370 3.898 10.087 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.629 5.586 11.831 1.00 0.48 H new ATOM 0 HB3 LYS A 12 -0.038 4.099 12.473 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.199 3.477 13.353 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.863 4.968 12.715 1.00 0.78 H new ATOM 0 HD2 LYS A 12 0.634 4.770 14.778 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.309 5.151 15.126 1.00 1.28 H new ATOM 0 HE2 LYS A 12 2.148 7.182 13.696 1.00 1.72 H new ATOM 0 HE3 LYS A 12 0.475 6.801 13.340 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 0.647 8.431 15.098 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 -0.044 7.000 15.698 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 1.577 7.370 16.043 1.00 2.19 H new ATOM 393 N LEU A 13 2.169 5.303 9.070 1.00 0.60 N ATOM 394 CA LEU A 13 3.222 6.038 8.369 1.00 0.50 C ATOM 395 C LEU A 13 4.020 6.891 9.349 1.00 0.46 C ATOM 396 O LEU A 13 3.462 7.756 10.032 1.00 0.52 O ATOM 397 CB LEU A 13 2.606 6.910 7.261 1.00 0.52 C ATOM 398 CG LEU A 13 3.575 7.429 6.189 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.813 7.838 4.940 1.00 1.14 C ATOM 400 CD2 LEU A 13 4.380 8.609 6.704 1.00 1.04 C ATOM 0 H LEU A 13 1.231 5.463 8.702 1.00 0.60 H new ATOM 0 HA LEU A 13 3.905 5.324 7.909 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.824 6.333 6.766 1.00 0.52 H new ATOM 0 HB3 LEU A 13 2.122 7.767 7.729 1.00 0.52 H new ATOM 0 HG LEU A 13 4.263 6.620 5.943 1.00 0.55 H new ATOM 0 HD11 LEU A 13 3.514 8.204 4.190 1.00 1.14 H new ATOM 0 HD12 LEU A 13 2.274 6.977 4.544 1.00 1.14 H new ATOM 0 HD13 LEU A 13 2.103 8.627 5.189 1.00 1.14 H new ATOM 0 HD21 LEU A 13 5.058 8.956 5.924 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.704 9.417 6.982 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.958 8.303 7.576 1.00 1.04 H new ATOM 412 N GLU A 14 5.319 6.633 9.419 1.00 0.45 N ATOM 413 CA GLU A 14 6.199 7.341 10.334 1.00 0.48 C ATOM 414 C GLU A 14 6.780 8.580 9.660 1.00 0.45 C ATOM 415 O GLU A 14 6.675 9.693 10.178 1.00 0.49 O ATOM 416 CB GLU A 14 7.327 6.415 10.796 1.00 0.55 C ATOM 417 CG GLU A 14 8.237 7.031 11.848 1.00 0.67 C ATOM 418 CD GLU A 14 7.542 7.239 13.177 1.00 1.17 C ATOM 419 OE1 GLU A 14 7.879 6.525 14.145 1.00 2.08 O ATOM 420 OE2 GLU A 14 6.660 8.115 13.265 1.00 1.56 O ATOM 0 H GLU A 14 5.788 5.931 8.846 1.00 0.45 H new ATOM 0 HA GLU A 14 5.621 7.657 11.202 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.891 5.500 11.197 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.927 6.130 9.932 1.00 0.55 H new ATOM 0 HG2 GLU A 14 9.104 6.387 11.994 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.609 7.989 11.484 1.00 0.67 H new ATOM 427 N ARG A 15 7.381 8.391 8.493 1.00 0.42 N ATOM 428 CA ARG A 15 7.953 9.503 7.754 1.00 0.44 C ATOM 429 C ARG A 15 7.749 9.299 6.263 1.00 0.37 C ATOM 430 O ARG A 15 7.531 8.176 5.800 1.00 0.38 O ATOM 431 CB ARG A 15 9.441 9.673 8.064 1.00 0.51 C ATOM 432 CG ARG A 15 10.339 8.681 7.349 1.00 0.53 C ATOM 433 CD ARG A 15 11.799 8.956 7.650 1.00 0.77 C ATOM 434 NE ARG A 15 12.694 8.050 6.933 1.00 1.68 N ATOM 435 CZ ARG A 15 13.272 6.984 7.485 1.00 2.34 C ATOM 436 NH1 ARG A 15 12.987 6.644 8.739 1.00 2.45 N ATOM 437 NH2 ARG A 15 14.128 6.252 6.782 1.00 3.36 N ATOM 0 H ARG A 15 7.484 7.482 8.041 1.00 0.42 H new ATOM 0 HA ARG A 15 7.440 10.413 8.066 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.745 10.684 7.792 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.591 9.574 9.139 1.00 0.51 H new ATOM 0 HG2 ARG A 15 10.085 7.667 7.658 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.168 8.739 6.274 1.00 0.53 H new ATOM 0 HD2 ARG A 15 12.035 9.985 7.380 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.971 8.860 8.722 1.00 0.77 H new ATOM 0 HE ARG A 15 12.888 8.246 5.951 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.325 7.200 9.280 1.00 2.45 H new ATOM 0 HH12 ARG A 15 13.431 5.827 9.159 1.00 2.45 H new ATOM 0 HH21 ARG A 15 14.344 6.505 5.818 1.00 3.36 H new ATOM 0 HH22 ARG A 15 14.570 5.436 7.206 1.00 3.36 H new ATOM 451 N ASP A 16 7.837 10.382 5.522 1.00 0.38 N ATOM 452 CA ASP A 16 7.511 10.377 4.109 1.00 0.43 C ATOM 453 C ASP A 16 8.603 11.086 3.317 1.00 0.39 C ATOM 454 O ASP A 16 9.092 12.136 3.740 1.00 0.52 O ATOM 455 CB ASP A 16 6.166 11.073 3.933 1.00 0.66 C ATOM 456 CG ASP A 16 5.685 11.092 2.506 1.00 0.68 C ATOM 457 OD1 ASP A 16 4.961 10.151 2.111 1.00 1.19 O ATOM 458 OD2 ASP A 16 5.997 12.062 1.789 1.00 0.72 O ATOM 0 H ASP A 16 8.136 11.290 5.879 1.00 0.38 H new ATOM 0 HA ASP A 16 7.446 9.355 3.734 1.00 0.43 H new ATOM 0 HB2 ASP A 16 5.422 10.572 4.553 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.245 12.098 4.296 1.00 0.66 H new ATOM 463 N GLU A 17 8.990 10.519 2.177 1.00 0.36 N ATOM 464 CA GLU A 17 10.126 11.035 1.418 1.00 0.38 C ATOM 465 C GLU A 17 9.867 11.003 -0.089 1.00 0.40 C ATOM 466 O GLU A 17 9.537 9.956 -0.647 1.00 0.83 O ATOM 467 CB GLU A 17 11.391 10.230 1.741 1.00 0.48 C ATOM 468 CG GLU A 17 11.863 10.388 3.179 1.00 1.18 C ATOM 469 CD GLU A 17 13.152 9.647 3.461 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.161 9.908 2.769 1.00 2.66 O ATOM 471 OE2 GLU A 17 13.171 8.805 4.383 1.00 2.13 O ATOM 0 H GLU A 17 8.536 9.706 1.760 1.00 0.36 H new ATOM 0 HA GLU A 17 10.268 12.075 1.713 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.200 9.175 1.544 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.191 10.541 1.069 1.00 0.48 H new ATOM 0 HG2 GLU A 17 12.004 11.447 3.395 1.00 1.18 H new ATOM 0 HG3 GLU A 17 11.087 10.025 3.853 1.00 1.18 H new ATOM 478 N ASN A 18 10.004 12.170 -0.727 1.00 0.34 N ATOM 479 CA ASN A 18 9.954 12.306 -2.193 1.00 0.30 C ATOM 480 C ASN A 18 8.556 12.006 -2.745 1.00 0.28 C ATOM 481 O ASN A 18 8.378 11.738 -3.940 1.00 0.27 O ATOM 482 CB ASN A 18 10.999 11.389 -2.846 1.00 0.32 C ATOM 483 CG ASN A 18 11.555 11.957 -4.140 1.00 0.42 C ATOM 484 OD1 ASN A 18 10.948 11.602 -5.258 1.00 0.76 O flip ATOM 485 ND2 ASN A 18 12.534 12.701 -4.131 1.00 0.66 N flip ATOM 0 H ASN A 18 10.154 13.054 -0.241 1.00 0.34 H new ATOM 0 HA ASN A 18 10.186 13.342 -2.439 1.00 0.30 H new ATOM 0 HB2 ASN A 18 11.818 11.223 -2.146 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.548 10.417 -3.045 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.975 12.952 -3.246 1.00 0.66 H new ATOM 0 HD22 ASN A 18 12.905 13.067 -5.008 1.00 0.66 H new ATOM 492 N PHE A 19 7.566 12.089 -1.872 1.00 0.30 N ATOM 493 CA PHE A 19 6.198 11.748 -2.238 1.00 0.31 C ATOM 494 C PHE A 19 5.573 12.849 -3.080 1.00 0.31 C ATOM 495 O PHE A 19 4.839 12.575 -4.030 1.00 0.32 O ATOM 496 CB PHE A 19 5.355 11.486 -0.993 1.00 0.37 C ATOM 497 CG PHE A 19 3.971 10.984 -1.286 1.00 0.36 C ATOM 498 CD1 PHE A 19 3.774 9.938 -2.171 1.00 0.45 C ATOM 499 CD2 PHE A 19 2.870 11.549 -0.666 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.506 9.466 -2.436 1.00 0.49 C ATOM 501 CE2 PHE A 19 1.598 11.080 -0.926 1.00 0.48 C ATOM 502 CZ PHE A 19 1.416 10.036 -1.814 1.00 0.44 C ATOM 0 H PHE A 19 7.682 12.389 -0.904 1.00 0.30 H new ATOM 0 HA PHE A 19 6.226 10.835 -2.833 1.00 0.31 H new ATOM 0 HB2 PHE A 19 5.869 10.758 -0.366 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.281 12.408 -0.416 1.00 0.37 H new ATOM 0 HD1 PHE A 19 4.624 9.486 -2.660 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.007 12.365 0.028 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.367 8.650 -3.130 1.00 0.49 H new ATOM 0 HE2 PHE A 19 0.746 11.528 -0.436 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.422 9.668 -2.020 1.00 0.44 H new ATOM 512 N ASP A 20 5.869 14.097 -2.742 1.00 0.33 N ATOM 513 CA ASP A 20 5.356 15.224 -3.509 1.00 0.37 C ATOM 514 C ASP A 20 5.918 15.198 -4.925 1.00 0.33 C ATOM 515 O ASP A 20 5.190 15.431 -5.888 1.00 0.33 O ATOM 516 CB ASP A 20 5.674 16.555 -2.815 1.00 0.46 C ATOM 517 CG ASP A 20 7.141 16.934 -2.854 1.00 1.08 C ATOM 518 OD1 ASP A 20 7.447 18.094 -3.211 1.00 1.22 O ATOM 519 OD2 ASP A 20 7.993 16.084 -2.527 1.00 2.04 O ATOM 0 H ASP A 20 6.457 14.353 -1.949 1.00 0.33 H new ATOM 0 HA ASP A 20 4.271 15.134 -3.567 1.00 0.37 H new ATOM 0 HB2 ASP A 20 5.092 17.347 -3.286 1.00 0.46 H new ATOM 0 HB3 ASP A 20 5.351 16.497 -1.775 1.00 0.46 H new ATOM 524 N GLU A 21 7.212 14.897 -5.043 1.00 0.34 N ATOM 525 CA GLU A 21 7.848 14.707 -6.344 1.00 0.35 C ATOM 526 C GLU A 21 7.071 13.703 -7.177 1.00 0.31 C ATOM 527 O GLU A 21 6.826 13.921 -8.369 1.00 0.34 O ATOM 528 CB GLU A 21 9.281 14.220 -6.179 1.00 0.41 C ATOM 529 CG GLU A 21 10.205 15.267 -5.606 1.00 0.51 C ATOM 530 CD GLU A 21 10.295 16.494 -6.484 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.002 16.449 -7.509 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.660 17.514 -6.148 1.00 1.79 O ATOM 0 H GLU A 21 7.841 14.780 -4.249 1.00 0.34 H new ATOM 0 HA GLU A 21 7.855 15.670 -6.854 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.287 13.345 -5.529 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.663 13.900 -7.149 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.853 15.556 -4.616 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.200 14.840 -5.479 1.00 0.51 H new ATOM 539 N TYR A 22 6.692 12.602 -6.540 1.00 0.29 N ATOM 540 CA TYR A 22 5.873 11.593 -7.188 1.00 0.28 C ATOM 541 C TYR A 22 4.542 12.181 -7.651 1.00 0.30 C ATOM 542 O TYR A 22 4.092 11.904 -8.758 1.00 0.33 O ATOM 543 CB TYR A 22 5.621 10.411 -6.244 1.00 0.30 C ATOM 544 CG TYR A 22 4.559 9.464 -6.755 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.255 9.533 -6.287 1.00 0.41 C ATOM 546 CD2 TYR A 22 4.872 8.482 -7.688 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.295 8.646 -6.729 1.00 0.48 C ATOM 548 CE2 TYR A 22 3.915 7.597 -8.138 1.00 0.44 C ATOM 549 CZ TYR A 22 2.589 7.770 -7.734 1.00 0.50 C ATOM 550 OH TYR A 22 1.678 6.795 -8.088 1.00 0.57 O ATOM 0 H TYR A 22 6.941 12.388 -5.574 1.00 0.29 H new ATOM 0 HA TYR A 22 6.417 11.237 -8.063 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.552 9.862 -6.102 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.322 10.791 -5.267 1.00 0.30 H new ATOM 0 HD1 TYR A 22 2.987 10.292 -5.566 1.00 0.41 H new ATOM 0 HD2 TYR A 22 5.881 8.411 -8.066 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.312 8.645 -6.281 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.187 6.782 -8.793 1.00 0.44 H new ATOM 0 HH TYR A 22 1.879 6.472 -8.991 1.00 0.57 H new ATOM 560 N LEU A 23 3.928 13.010 -6.813 1.00 0.28 N ATOM 561 CA LEU A 23 2.609 13.561 -7.111 1.00 0.30 C ATOM 562 C LEU A 23 2.660 14.457 -8.343 1.00 0.34 C ATOM 563 O LEU A 23 1.758 14.434 -9.180 1.00 0.37 O ATOM 564 CB LEU A 23 2.076 14.354 -5.917 1.00 0.30 C ATOM 565 CG LEU A 23 1.818 13.529 -4.661 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.275 14.409 -3.550 1.00 0.33 C ATOM 567 CD2 LEU A 23 0.854 12.395 -4.961 1.00 0.32 C ATOM 0 H LEU A 23 4.321 13.315 -5.923 1.00 0.28 H new ATOM 0 HA LEU A 23 1.936 12.727 -7.313 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.789 15.142 -5.676 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.147 14.843 -6.210 1.00 0.30 H new ATOM 0 HG LEU A 23 2.763 13.100 -4.329 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.096 13.804 -2.661 1.00 0.33 H new ATOM 0 HD12 LEU A 23 1.999 15.190 -3.318 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.339 14.866 -3.872 1.00 0.33 H new ATOM 0 HD21 LEU A 23 0.680 11.816 -4.054 1.00 0.32 H new ATOM 0 HD22 LEU A 23 -0.091 12.805 -5.316 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.280 11.749 -5.728 1.00 0.32 H new ATOM 579 N LYS A 24 3.725 15.238 -8.444 1.00 0.34 N ATOM 580 CA LYS A 24 3.931 16.121 -9.585 1.00 0.39 C ATOM 581 C LYS A 24 4.057 15.296 -10.861 1.00 0.40 C ATOM 582 O LYS A 24 3.372 15.546 -11.854 1.00 0.44 O ATOM 583 CB LYS A 24 5.197 16.951 -9.375 1.00 0.41 C ATOM 584 CG LYS A 24 5.210 17.725 -8.067 1.00 0.45 C ATOM 585 CD LYS A 24 6.570 18.342 -7.793 1.00 0.55 C ATOM 586 CE LYS A 24 6.608 19.014 -6.430 1.00 1.35 C ATOM 587 NZ LYS A 24 7.963 19.525 -6.100 1.00 1.88 N ATOM 0 H LYS A 24 4.466 15.279 -7.744 1.00 0.34 H new ATOM 0 HA LYS A 24 3.077 16.791 -9.678 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.063 16.290 -9.404 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.303 17.652 -10.203 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.455 18.510 -8.101 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.941 17.059 -7.247 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.338 17.570 -7.842 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.803 19.073 -8.568 1.00 0.55 H new ATOM 0 HE2 LYS A 24 5.895 19.838 -6.412 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.292 18.303 -5.666 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.904 20.160 -5.279 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.590 18.726 -5.875 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 8.345 20.047 -6.915 1.00 1.88 H new ATOM 601 N ALA A 25 4.936 14.303 -10.801 1.00 0.40 N ATOM 602 CA ALA A 25 5.156 13.388 -11.916 1.00 0.43 C ATOM 603 C ALA A 25 3.880 12.632 -12.274 1.00 0.43 C ATOM 604 O ALA A 25 3.600 12.385 -13.446 1.00 0.44 O ATOM 605 CB ALA A 25 6.263 12.403 -11.576 1.00 0.43 C ATOM 0 H ALA A 25 5.514 14.109 -9.983 1.00 0.40 H new ATOM 0 HA ALA A 25 5.453 13.981 -12.781 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.418 11.726 -12.416 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.185 12.948 -11.374 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.981 11.829 -10.694 1.00 0.43 H new ATOM 611 N ARG A 26 3.106 12.280 -11.255 1.00 0.43 N ATOM 612 CA ARG A 26 1.888 11.506 -11.440 1.00 0.45 C ATOM 613 C ARG A 26 0.772 12.356 -12.060 1.00 0.47 C ATOM 614 O ARG A 26 -0.276 11.836 -12.445 1.00 0.51 O ATOM 615 CB ARG A 26 1.439 10.913 -10.101 1.00 0.48 C ATOM 616 CG ARG A 26 0.278 9.941 -10.220 1.00 0.85 C ATOM 617 CD ARG A 26 0.659 8.697 -10.999 1.00 0.72 C ATOM 618 NE ARG A 26 -0.488 8.118 -11.691 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.559 6.849 -12.078 1.00 0.78 C ATOM 620 NH1 ARG A 26 0.401 5.994 -11.761 1.00 1.29 N ATOM 621 NH2 ARG A 26 -1.599 6.426 -12.780 1.00 1.06 N ATOM 0 H ARG A 26 3.304 12.522 -10.284 1.00 0.43 H new ATOM 0 HA ARG A 26 2.101 10.693 -12.134 1.00 0.45 H new ATOM 0 HB2 ARG A 26 2.283 10.401 -9.639 1.00 0.48 H new ATOM 0 HB3 ARG A 26 1.154 11.725 -9.432 1.00 0.48 H new ATOM 0 HG2 ARG A 26 -0.060 9.656 -9.224 1.00 0.85 H new ATOM 0 HG3 ARG A 26 -0.560 10.435 -10.712 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.434 8.946 -11.724 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.084 7.959 -10.319 1.00 0.72 H new ATOM 0 HE ARG A 26 -1.284 8.725 -11.890 1.00 0.76 H new ATOM 0 HH11 ARG A 26 1.204 6.308 -11.215 1.00 1.29 H new ATOM 0 HH12 ARG A 26 0.338 5.022 -12.062 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.347 7.075 -13.024 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -1.652 5.451 -13.076 1.00 1.06 H new ATOM 635 N GLY A 27 0.995 13.657 -12.162 1.00 0.46 N ATOM 636 CA GLY A 27 0.037 14.513 -12.834 1.00 0.49 C ATOM 637 C GLY A 27 -0.917 15.210 -11.887 1.00 0.50 C ATOM 638 O GLY A 27 -2.037 15.552 -12.270 1.00 0.62 O ATOM 0 H GLY A 27 1.818 14.135 -11.794 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.575 15.264 -13.413 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.538 13.916 -13.542 1.00 0.49 H new ATOM 642 N TYR A 28 -0.494 15.410 -10.650 1.00 0.48 N ATOM 643 CA TYR A 28 -1.275 16.194 -9.709 1.00 0.53 C ATOM 644 C TYR A 28 -0.749 17.619 -9.690 1.00 0.56 C ATOM 645 O TYR A 28 0.372 17.880 -9.251 1.00 0.54 O ATOM 646 CB TYR A 28 -1.229 15.571 -8.312 1.00 0.51 C ATOM 647 CG TYR A 28 -1.821 14.179 -8.271 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.009 13.060 -8.133 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.190 13.986 -8.353 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.545 11.790 -8.072 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.735 12.718 -8.300 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.905 11.620 -8.231 1.00 0.60 C ATOM 653 OH TYR A 28 -3.455 10.364 -8.079 1.00 0.64 O ATOM 0 H TYR A 28 0.381 15.043 -10.276 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.318 16.204 -10.026 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.195 15.531 -7.971 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.770 16.212 -7.615 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.062 13.187 -8.072 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.842 14.841 -8.460 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.906 10.937 -7.901 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.807 12.588 -8.313 1.00 0.63 H new ATOM 0 HH TYR A 28 -4.423 10.411 -8.222 1.00 0.64 H new ATOM 663 N GLY A 29 -1.579 18.534 -10.181 1.00 0.68 N ATOM 664 CA GLY A 29 -1.151 19.899 -10.413 1.00 0.80 C ATOM 665 C GLY A 29 -0.930 20.692 -9.145 1.00 0.88 C ATOM 666 O GLY A 29 0.165 21.189 -8.910 1.00 1.54 O ATOM 0 H GLY A 29 -2.552 18.349 -10.425 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.226 19.887 -10.989 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -1.899 20.406 -11.022 1.00 0.80 H new ATOM 670 N TRP A 30 -1.960 20.827 -8.326 1.00 0.54 N ATOM 671 CA TRP A 30 -1.838 21.598 -7.099 1.00 0.56 C ATOM 672 C TRP A 30 -2.847 21.159 -6.043 1.00 0.54 C ATOM 673 O TRP A 30 -2.455 20.786 -4.937 1.00 0.52 O ATOM 674 CB TRP A 30 -1.990 23.098 -7.376 1.00 0.65 C ATOM 675 CG TRP A 30 -2.021 23.914 -6.121 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.964 24.233 -5.320 1.00 0.84 C ATOM 677 CD2 TRP A 30 -3.177 24.497 -5.513 1.00 0.86 C ATOM 678 NE1 TRP A 30 -1.397 24.970 -4.245 1.00 0.98 N ATOM 679 CE2 TRP A 30 -2.751 25.147 -4.344 1.00 0.99 C ATOM 680 CE3 TRP A 30 -4.533 24.530 -5.847 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -3.633 25.820 -3.507 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -5.407 25.199 -5.015 1.00 1.07 C ATOM 683 CH2 TRP A 30 -4.954 25.834 -3.857 1.00 1.18 C ATOM 0 H TRP A 30 -2.881 20.418 -8.485 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.839 21.408 -6.706 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -1.164 23.434 -8.003 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.908 23.269 -7.939 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.061 23.948 -5.504 1.00 0.84 H new ATOM 0 HE1 TRP A 30 -0.806 25.327 -3.495 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.891 24.040 -6.741 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -3.287 26.315 -2.612 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -6.458 25.232 -5.263 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -5.663 26.347 -3.224 1.00 1.18 H new ATOM 694 N ILE A 31 -4.134 21.191 -6.389 1.00 0.60 N ATOM 695 CA ILE A 31 -5.198 20.917 -5.418 1.00 0.63 C ATOM 696 C ILE A 31 -4.972 19.571 -4.776 1.00 0.53 C ATOM 697 O ILE A 31 -4.974 19.432 -3.552 1.00 0.51 O ATOM 698 CB ILE A 31 -6.619 20.899 -6.030 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.954 22.209 -6.726 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.651 20.612 -4.950 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.298 22.339 -8.071 1.00 2.16 C ATOM 0 H ILE A 31 -4.466 21.403 -7.330 1.00 0.60 H new ATOM 0 HA ILE A 31 -5.149 21.734 -4.698 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.642 20.108 -6.779 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -8.035 22.286 -6.845 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.643 23.041 -6.094 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.647 20.602 -5.392 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -7.445 19.642 -4.498 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.602 21.387 -4.185 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.574 23.293 -8.520 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -5.215 22.292 -7.954 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -6.628 21.526 -8.717 1.00 2.16 H new ATOM 713 N MET A 32 -4.756 18.580 -5.621 1.00 0.48 N ATOM 714 CA MET A 32 -4.581 17.236 -5.155 1.00 0.43 C ATOM 715 C MET A 32 -3.329 17.106 -4.303 1.00 0.38 C ATOM 716 O MET A 32 -3.290 16.321 -3.368 1.00 0.39 O ATOM 717 CB MET A 32 -4.529 16.253 -6.321 1.00 0.48 C ATOM 718 CG MET A 32 -5.861 16.086 -7.029 1.00 0.55 C ATOM 719 SD MET A 32 -7.238 15.884 -5.883 1.00 0.97 S ATOM 720 CE MET A 32 -6.643 14.511 -4.906 1.00 0.48 C ATOM 0 H MET A 32 -4.699 18.691 -6.633 1.00 0.48 H new ATOM 0 HA MET A 32 -5.444 16.992 -4.535 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.784 16.593 -7.040 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.197 15.282 -5.953 1.00 0.48 H new ATOM 0 HG2 MET A 32 -6.044 16.956 -7.660 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.812 15.219 -7.687 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.340 14.315 -4.091 1.00 0.48 H new ATOM 0 HE2 MET A 32 -6.563 13.625 -5.535 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.663 14.754 -4.495 1.00 0.48 H new ATOM 730 N ARG A 33 -2.312 17.900 -4.598 1.00 0.39 N ATOM 731 CA ARG A 33 -1.080 17.835 -3.831 1.00 0.41 C ATOM 732 C ARG A 33 -1.306 18.379 -2.426 1.00 0.45 C ATOM 733 O ARG A 33 -0.567 18.054 -1.501 1.00 0.60 O ATOM 734 CB ARG A 33 0.050 18.598 -4.526 1.00 0.49 C ATOM 735 CG ARG A 33 0.287 18.150 -5.958 1.00 0.90 C ATOM 736 CD ARG A 33 1.723 18.381 -6.401 1.00 0.71 C ATOM 737 NE ARG A 33 2.155 19.769 -6.228 1.00 0.77 N ATOM 738 CZ ARG A 33 2.723 20.495 -7.189 1.00 0.99 C ATOM 739 NH1 ARG A 33 2.798 20.023 -8.428 1.00 1.87 N ATOM 740 NH2 ARG A 33 3.183 21.711 -6.924 1.00 1.03 N ATOM 0 H ARG A 33 -2.314 18.587 -5.352 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.780 16.789 -3.761 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -0.183 19.663 -4.520 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.970 18.470 -3.956 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.046 17.091 -6.050 1.00 0.90 H new ATOM 0 HG3 ARG A 33 -0.388 18.690 -6.622 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.383 17.726 -5.832 1.00 0.71 H new ATOM 0 HD3 ARG A 33 1.824 18.102 -7.450 1.00 0.71 H new ATOM 0 HE ARG A 33 2.012 20.206 -5.317 1.00 0.77 H new ATOM 0 HH11 ARG A 33 2.420 19.101 -8.646 1.00 1.87 H new ATOM 0 HH12 ARG A 33 3.234 20.582 -9.161 1.00 1.87 H new ATOM 0 HH21 ARG A 33 3.102 22.093 -5.982 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.617 22.264 -7.663 1.00 1.03 H new ATOM 754 N GLN A 34 -2.343 19.201 -2.273 1.00 0.41 N ATOM 755 CA GLN A 34 -2.688 19.752 -0.971 1.00 0.46 C ATOM 756 C GLN A 34 -3.487 18.745 -0.147 1.00 0.47 C ATOM 757 O GLN A 34 -3.418 18.749 1.077 1.00 0.58 O ATOM 758 CB GLN A 34 -3.490 21.050 -1.118 1.00 0.51 C ATOM 759 CG GLN A 34 -2.788 22.142 -1.917 1.00 0.80 C ATOM 760 CD GLN A 34 -1.346 22.354 -1.489 1.00 1.39 C ATOM 761 OE1 GLN A 34 -1.060 23.122 -0.569 1.00 1.88 O ATOM 762 NE2 GLN A 34 -0.426 21.699 -2.177 1.00 1.97 N ATOM 0 H GLN A 34 -2.955 19.497 -3.034 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.755 19.972 -0.451 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -4.442 20.821 -1.598 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.719 21.435 -0.124 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -2.813 21.884 -2.976 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -3.336 23.077 -1.804 1.00 0.80 H new ATOM 0 HE21 GLN A 34 -0.704 21.072 -2.932 1.00 1.97 H new ATOM 0 HE22 GLN A 34 0.562 21.821 -1.953 1.00 1.97 H new ATOM 771 N VAL A 35 -4.258 17.893 -0.813 1.00 0.42 N ATOM 772 CA VAL A 35 -5.055 16.895 -0.119 1.00 0.42 C ATOM 773 C VAL A 35 -4.268 15.603 0.112 1.00 0.40 C ATOM 774 O VAL A 35 -4.159 15.139 1.245 1.00 0.44 O ATOM 775 CB VAL A 35 -6.367 16.597 -0.886 1.00 0.45 C ATOM 776 CG1 VAL A 35 -7.364 17.718 -0.693 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.121 16.431 -2.356 1.00 0.65 C ATOM 0 H VAL A 35 -4.346 17.875 -1.829 1.00 0.42 H new ATOM 0 HA VAL A 35 -5.311 17.310 0.856 1.00 0.42 H new ATOM 0 HB VAL A 35 -6.765 15.666 -0.482 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -8.279 17.489 -1.240 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -7.592 17.824 0.368 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.941 18.650 -1.068 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.064 16.223 -2.862 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -5.688 17.347 -2.758 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.432 15.602 -2.518 1.00 0.65 H new ATOM 787 N ILE A 36 -3.733 15.030 -0.965 1.00 0.38 N ATOM 788 CA ILE A 36 -2.963 13.785 -0.906 1.00 0.39 C ATOM 789 C ILE A 36 -1.896 13.790 0.198 1.00 0.46 C ATOM 790 O ILE A 36 -1.791 12.834 0.963 1.00 0.51 O ATOM 791 CB ILE A 36 -2.294 13.496 -2.258 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.361 13.438 -3.354 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.534 12.187 -2.188 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.817 13.236 -4.750 1.00 0.51 C ATOM 0 H ILE A 36 -3.820 15.415 -1.905 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.679 12.998 -0.668 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.589 14.293 -2.493 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -4.053 12.627 -3.127 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.936 14.364 -3.332 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -1.062 11.988 -3.150 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.768 12.252 -1.415 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -2.224 11.378 -1.948 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.642 13.207 -5.461 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.149 14.059 -5.003 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.267 12.296 -4.794 1.00 0.51 H new ATOM 806 N LYS A 37 -1.122 14.869 0.290 1.00 0.52 N ATOM 807 CA LYS A 37 -0.006 14.919 1.235 1.00 0.67 C ATOM 808 C LYS A 37 -0.475 15.103 2.675 1.00 0.66 C ATOM 809 O LYS A 37 0.241 14.751 3.613 1.00 0.79 O ATOM 810 CB LYS A 37 0.967 16.043 0.879 1.00 0.91 C ATOM 811 CG LYS A 37 1.686 15.843 -0.444 1.00 0.75 C ATOM 812 CD LYS A 37 2.877 16.782 -0.580 1.00 0.94 C ATOM 813 CE LYS A 37 2.469 18.241 -0.467 1.00 0.70 C ATOM 814 NZ LYS A 37 3.646 19.148 -0.458 1.00 0.97 N ATOM 0 H LYS A 37 -1.244 15.712 -0.271 1.00 0.52 H new ATOM 0 HA LYS A 37 0.501 13.957 1.159 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.420 16.985 0.845 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.708 16.133 1.673 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.025 14.810 -0.522 1.00 0.75 H new ATOM 0 HG3 LYS A 37 0.991 16.014 -1.266 1.00 0.75 H new ATOM 0 HD2 LYS A 37 3.611 16.550 0.192 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.362 16.615 -1.542 1.00 0.94 H new ATOM 0 HE2 LYS A 37 1.817 18.501 -1.301 1.00 0.70 H new ATOM 0 HE3 LYS A 37 1.892 18.387 0.446 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 3.324 20.134 -0.380 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.256 18.917 0.352 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.183 19.028 -1.340 1.00 0.97 H new ATOM 828 N LEU A 38 -1.670 15.646 2.853 1.00 0.63 N ATOM 829 CA LEU A 38 -2.179 15.924 4.191 1.00 0.70 C ATOM 830 C LEU A 38 -2.963 14.738 4.731 1.00 0.65 C ATOM 831 O LEU A 38 -3.372 14.722 5.894 1.00 0.91 O ATOM 832 CB LEU A 38 -3.048 17.186 4.198 1.00 0.82 C ATOM 833 CG LEU A 38 -2.295 18.510 4.402 1.00 1.08 C ATOM 834 CD1 LEU A 38 -1.588 18.520 5.749 1.00 2.08 C ATOM 835 CD2 LEU A 38 -1.295 18.753 3.279 1.00 1.61 C ATOM 0 H LEU A 38 -2.303 15.902 2.095 1.00 0.63 H new ATOM 0 HA LEU A 38 -1.322 16.096 4.843 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -3.589 17.238 3.253 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -3.794 17.088 4.987 1.00 0.82 H new ATOM 0 HG LEU A 38 -3.027 19.317 4.384 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -1.060 19.465 5.876 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -2.322 18.405 6.546 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -0.874 17.697 5.791 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -0.778 19.697 3.450 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -0.569 17.940 3.256 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.822 18.796 2.326 1.00 1.61 H new ATOM 847 N ALA A 39 -3.168 13.747 3.880 1.00 0.52 N ATOM 848 CA ALA A 39 -3.829 12.529 4.278 1.00 0.53 C ATOM 849 C ALA A 39 -2.846 11.576 4.935 1.00 0.60 C ATOM 850 O ALA A 39 -1.954 11.035 4.277 1.00 1.03 O ATOM 851 CB ALA A 39 -4.491 11.871 3.081 1.00 0.55 C ATOM 0 H ALA A 39 -2.881 13.769 2.902 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.601 12.778 5.006 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.986 10.953 3.398 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -5.228 12.551 2.653 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.736 11.636 2.331 1.00 0.55 H new ATOM 857 N GLY A 40 -3.000 11.393 6.238 1.00 0.43 N ATOM 858 CA GLY A 40 -2.193 10.428 6.953 1.00 0.46 C ATOM 859 C GLY A 40 -2.506 9.029 6.492 1.00 0.46 C ATOM 860 O GLY A 40 -3.668 8.702 6.257 1.00 0.84 O ATOM 0 H GLY A 40 -3.673 11.898 6.814 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.136 10.641 6.794 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.378 10.514 8.024 1.00 0.46 H new ATOM 864 N VAL A 41 -1.488 8.199 6.348 1.00 0.44 N ATOM 865 CA VAL A 41 -1.679 6.890 5.757 1.00 0.45 C ATOM 866 C VAL A 41 -1.351 5.773 6.741 1.00 0.36 C ATOM 867 O VAL A 41 -0.246 5.702 7.279 1.00 0.41 O ATOM 868 CB VAL A 41 -0.826 6.708 4.484 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.185 5.409 3.787 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.001 7.887 3.538 1.00 1.30 C ATOM 0 H VAL A 41 -0.530 8.407 6.630 1.00 0.44 H new ATOM 0 HA VAL A 41 -2.734 6.828 5.489 1.00 0.45 H new ATOM 0 HB VAL A 41 0.222 6.666 4.781 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.574 5.296 2.891 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.000 4.572 4.460 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.239 5.425 3.508 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.389 7.734 2.649 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.049 7.969 3.248 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.691 8.804 4.038 1.00 1.30 H new ATOM 880 N THR A 42 -2.322 4.909 6.968 1.00 0.31 N ATOM 881 CA THR A 42 -2.129 3.735 7.794 1.00 0.30 C ATOM 882 C THR A 42 -2.309 2.476 6.948 1.00 0.29 C ATOM 883 O THR A 42 -3.383 2.237 6.398 1.00 0.32 O ATOM 884 CB THR A 42 -3.120 3.724 8.975 1.00 0.35 C ATOM 885 OG1 THR A 42 -2.988 4.938 9.728 1.00 0.40 O ATOM 886 CG2 THR A 42 -2.876 2.531 9.887 1.00 0.45 C ATOM 0 H THR A 42 -3.263 5.002 6.586 1.00 0.31 H new ATOM 0 HA THR A 42 -1.117 3.759 8.199 1.00 0.30 H new ATOM 0 HB THR A 42 -4.129 3.646 8.571 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.620 4.929 10.477 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.590 2.550 10.710 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.001 1.608 9.320 1.00 0.45 H new ATOM 0 HG23 THR A 42 -1.862 2.578 10.285 1.00 0.45 H new ATOM 894 N LYS A 43 -1.247 1.692 6.827 1.00 0.31 N ATOM 895 CA LYS A 43 -1.278 0.473 6.031 1.00 0.35 C ATOM 896 C LYS A 43 -1.478 -0.733 6.934 1.00 0.33 C ATOM 897 O LYS A 43 -0.786 -0.878 7.935 1.00 0.41 O ATOM 898 CB LYS A 43 0.019 0.317 5.229 1.00 0.50 C ATOM 899 CG LYS A 43 0.143 1.274 4.050 1.00 0.77 C ATOM 900 CD LYS A 43 -1.000 1.088 3.071 1.00 0.53 C ATOM 901 CE LYS A 43 -0.685 1.647 1.690 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.477 3.117 1.695 1.00 0.79 N ATOM 0 H LYS A 43 -0.349 1.880 7.272 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.111 0.539 5.332 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.867 0.470 5.897 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.084 -0.707 4.860 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.152 2.302 4.412 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.092 1.107 3.541 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -1.231 0.026 2.985 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.892 1.577 3.462 1.00 0.53 H new ATOM 0 HE2 LYS A 43 0.210 1.160 1.302 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -1.501 1.403 1.010 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.334 3.451 0.720 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.312 3.584 2.102 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 0.361 3.347 2.267 1.00 0.79 H new ATOM 916 N LYS A 44 -2.421 -1.592 6.593 1.00 0.31 N ATOM 917 CA LYS A 44 -2.731 -2.733 7.432 1.00 0.35 C ATOM 918 C LYS A 44 -2.764 -4.019 6.619 1.00 0.34 C ATOM 919 O LYS A 44 -3.445 -4.097 5.604 1.00 0.47 O ATOM 920 CB LYS A 44 -4.082 -2.511 8.100 1.00 0.44 C ATOM 921 CG LYS A 44 -4.505 -3.635 9.027 1.00 0.90 C ATOM 922 CD LYS A 44 -5.972 -3.508 9.382 1.00 0.88 C ATOM 923 CE LYS A 44 -6.251 -2.237 10.168 1.00 1.39 C ATOM 924 NZ LYS A 44 -7.706 -2.014 10.363 1.00 1.96 N ATOM 0 H LYS A 44 -2.983 -1.521 5.745 1.00 0.31 H new ATOM 0 HA LYS A 44 -1.952 -2.831 8.188 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -4.047 -1.581 8.667 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -4.841 -2.386 7.328 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.323 -4.597 8.548 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -3.902 -3.612 9.935 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.569 -3.511 8.470 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.281 -4.374 9.968 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -5.759 -2.296 11.139 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -5.820 -1.384 9.644 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -7.852 -1.165 10.946 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.164 -1.882 9.439 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.123 -2.838 10.841 1.00 1.96 H new ATOM 938 N PHE A 45 -2.024 -5.017 7.076 1.00 0.29 N ATOM 939 CA PHE A 45 -2.019 -6.333 6.445 1.00 0.29 C ATOM 940 C PHE A 45 -2.412 -7.384 7.469 1.00 0.30 C ATOM 941 O PHE A 45 -1.900 -7.383 8.583 1.00 0.37 O ATOM 942 CB PHE A 45 -0.639 -6.671 5.879 1.00 0.32 C ATOM 943 CG PHE A 45 -0.190 -5.774 4.762 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.354 -4.529 5.033 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.319 -6.176 3.443 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.763 -3.704 4.006 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.088 -5.353 2.413 1.00 0.52 C ATOM 948 CZ PHE A 45 0.654 -4.122 2.701 1.00 0.54 C ATOM 0 H PHE A 45 -1.413 -4.942 7.889 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.734 -6.321 5.622 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.093 -6.621 6.685 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.649 -7.700 5.520 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.459 -4.202 6.057 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.743 -7.144 3.218 1.00 0.44 H new ATOM 0 HE1 PHE A 45 1.169 -2.728 4.227 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.034 -5.667 1.387 1.00 0.52 H new ATOM 0 HZ PHE A 45 1.010 -3.491 1.900 1.00 0.54 H new ATOM 958 N ARG A 46 -3.323 -8.271 7.110 1.00 0.31 N ATOM 959 CA ARG A 46 -3.774 -9.292 8.042 1.00 0.33 C ATOM 960 C ARG A 46 -4.481 -10.429 7.325 1.00 0.31 C ATOM 961 O ARG A 46 -4.748 -10.356 6.129 1.00 0.33 O ATOM 962 CB ARG A 46 -4.720 -8.676 9.073 1.00 0.39 C ATOM 963 CG ARG A 46 -5.925 -7.992 8.449 1.00 0.50 C ATOM 964 CD ARG A 46 -6.886 -7.478 9.502 1.00 0.64 C ATOM 965 NE ARG A 46 -7.416 -8.559 10.330 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.503 -8.451 11.083 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.186 -7.311 11.113 1.00 1.85 N ATOM 968 NH2 ARG A 46 -8.910 -9.486 11.805 1.00 3.17 N ATOM 0 H ARG A 46 -3.762 -8.307 6.190 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.894 -9.697 8.541 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.065 -9.456 9.752 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.170 -7.951 9.673 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.590 -7.163 7.826 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.443 -8.693 7.795 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -6.376 -6.752 10.135 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.710 -6.955 9.017 1.00 0.64 H new ATOM 0 HE ARG A 46 -6.920 -9.450 10.329 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.875 -6.515 10.556 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -10.021 -7.232 11.693 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -8.388 -10.362 11.780 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -9.745 -9.406 12.385 1.00 3.17 H new ATOM 982 N ASN A 47 -4.771 -11.474 8.080 1.00 0.33 N ATOM 983 CA ASN A 47 -5.577 -12.588 7.597 1.00 0.37 C ATOM 984 C ASN A 47 -7.004 -12.106 7.378 1.00 0.39 C ATOM 985 O ASN A 47 -7.473 -11.230 8.111 1.00 0.54 O ATOM 986 CB ASN A 47 -5.570 -13.728 8.621 1.00 0.50 C ATOM 987 CG ASN A 47 -4.214 -14.397 8.762 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.462 -14.531 7.796 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.892 -14.814 9.975 1.00 1.44 N ATOM 0 H ASN A 47 -4.456 -11.577 9.045 1.00 0.33 H new ATOM 0 HA ASN A 47 -5.161 -12.957 6.660 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.878 -13.338 9.591 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.308 -14.475 8.329 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.992 -15.266 10.137 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -4.544 -14.684 10.749 1.00 1.44 H new ATOM 996 N ALA A 48 -7.687 -12.656 6.375 1.00 0.36 N ATOM 997 CA ALA A 48 -9.057 -12.255 6.067 1.00 0.41 C ATOM 998 C ALA A 48 -9.936 -12.335 7.295 1.00 0.64 C ATOM 999 O ALA A 48 -9.819 -13.249 8.116 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.625 -13.114 4.948 1.00 0.49 C ATOM 0 H ALA A 48 -7.313 -13.381 5.762 1.00 0.36 H new ATOM 0 HA ALA A 48 -9.038 -11.218 5.733 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.647 -12.801 4.732 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -9.013 -12.998 4.054 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.623 -14.160 5.255 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.816 -11.357 7.393 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.593 -11.103 8.590 1.00 1.18 C ATOM 1008 C ALA A 49 -12.446 -12.293 9.002 1.00 1.17 C ATOM 1009 O ALA A 49 -12.691 -12.502 10.191 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.454 -9.888 8.360 1.00 1.48 C ATOM 0 H ALA A 49 -11.014 -10.707 6.632 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.900 -10.927 9.413 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.044 -9.686 9.254 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.820 -9.029 8.142 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -13.122 -10.069 7.518 1.00 1.48 H new ATOM 1016 N SER A 50 -12.904 -13.064 8.027 1.00 1.12 N ATOM 1017 CA SER A 50 -13.707 -14.246 8.293 1.00 1.50 C ATOM 1018 C SER A 50 -12.857 -15.440 8.734 1.00 1.66 C ATOM 1019 O SER A 50 -13.331 -16.580 8.738 1.00 2.19 O ATOM 1020 CB SER A 50 -14.499 -14.591 7.038 1.00 1.77 C ATOM 1021 OG SER A 50 -13.719 -14.346 5.880 1.00 2.37 O ATOM 0 H SER A 50 -12.731 -12.889 7.037 1.00 1.12 H new ATOM 0 HA SER A 50 -14.383 -14.024 9.119 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.800 -15.638 7.067 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.412 -13.997 7.002 1.00 1.77 H new ATOM 0 HG SER A 50 -14.296 -14.011 5.162 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.609 -15.177 9.113 1.00 1.42 N ATOM 1028 CA GLY A 51 -10.736 -16.229 9.605 1.00 1.68 C ATOM 1029 C GLY A 51 -10.406 -17.266 8.555 1.00 1.70 C ATOM 1030 O GLY A 51 -10.425 -18.465 8.832 1.00 1.91 O ATOM 0 H GLY A 51 -11.185 -14.249 9.088 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.811 -15.784 9.971 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -11.211 -16.719 10.455 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.108 -16.811 7.350 1.00 1.54 N ATOM 1035 CA LYS A 52 -9.775 -17.712 6.257 1.00 1.60 C ATOM 1036 C LYS A 52 -8.309 -17.572 5.871 1.00 1.44 C ATOM 1037 O LYS A 52 -7.813 -16.460 5.694 1.00 1.37 O ATOM 1038 CB LYS A 52 -10.661 -17.428 5.043 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.130 -17.739 5.271 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.962 -17.463 4.029 1.00 1.94 C ATOM 1041 CE LYS A 52 -12.815 -16.022 3.570 1.00 2.59 C ATOM 1042 NZ LYS A 52 -13.739 -15.687 2.459 1.00 3.17 N ATOM 0 H LYS A 52 -10.090 -15.822 7.102 1.00 1.54 H new ATOM 0 HA LYS A 52 -9.951 -18.733 6.594 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.560 -16.378 4.769 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.302 -18.015 4.197 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -12.240 -18.785 5.558 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -12.505 -17.139 6.101 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.655 -18.135 3.227 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -14.011 -17.674 4.238 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -13.004 -15.354 4.411 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -11.788 -15.848 3.250 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -13.700 -14.665 2.271 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -13.457 -16.207 1.604 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -14.709 -15.954 2.722 1.00 3.17 H new ATOM 1056 N PRO A 53 -7.595 -18.700 5.754 1.00 1.49 N ATOM 1057 CA PRO A 53 -6.195 -18.710 5.333 1.00 1.40 C ATOM 1058 C PRO A 53 -6.055 -18.504 3.828 1.00 1.15 C ATOM 1059 O PRO A 53 -7.030 -18.629 3.090 1.00 1.15 O ATOM 1060 CB PRO A 53 -5.722 -20.106 5.728 1.00 1.68 C ATOM 1061 CG PRO A 53 -6.944 -20.952 5.648 1.00 1.84 C ATOM 1062 CD PRO A 53 -8.096 -20.062 6.032 1.00 1.76 C ATOM 0 HA PRO A 53 -5.617 -17.907 5.790 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -4.945 -20.467 5.054 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -5.300 -20.112 6.733 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -7.077 -21.349 4.642 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -6.871 -21.806 6.321 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -8.988 -20.287 5.448 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -8.363 -20.184 7.082 1.00 1.76 H new ATOM 1070 N ASP A 54 -4.857 -18.112 3.392 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.544 -17.968 1.959 1.00 0.90 C ATOM 1072 C ASP A 54 -5.370 -16.841 1.341 1.00 0.68 C ATOM 1073 O ASP A 54 -5.353 -16.619 0.131 1.00 0.97 O ATOM 1074 CB ASP A 54 -4.791 -19.273 1.188 1.00 1.06 C ATOM 1075 CG ASP A 54 -3.839 -20.384 1.583 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -4.222 -21.233 2.419 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -2.712 -20.431 1.044 1.00 1.60 O ATOM 0 H ASP A 54 -4.079 -17.886 4.011 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.484 -17.725 1.883 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.816 -19.602 1.360 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -4.693 -19.081 0.119 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.093 -16.146 2.202 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.870 -14.977 1.836 1.00 0.47 C ATOM 1084 C ARG A 55 -6.673 -13.921 2.903 1.00 0.41 C ATOM 1085 O ARG A 55 -6.887 -14.176 4.085 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.353 -15.321 1.679 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.674 -16.039 0.379 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.485 -15.121 -0.819 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.582 -15.837 -2.089 1.00 2.57 N ATOM 1090 CZ ARG A 55 -8.808 -15.247 -3.264 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -9.087 -13.948 -3.319 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -8.793 -15.966 -4.379 1.00 4.10 N ATOM 0 H ARG A 55 -6.157 -16.383 3.192 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.528 -14.601 0.872 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.664 -15.946 2.516 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.938 -14.403 1.732 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -8.031 -16.913 0.275 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -9.702 -16.400 0.405 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -9.237 -14.332 -0.791 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -7.511 -14.636 -0.752 1.00 1.87 H new ATOM 0 HE ARG A 55 -8.470 -16.851 -2.076 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -9.129 -13.399 -2.461 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -9.259 -13.501 -4.220 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -8.609 -16.968 -4.337 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -8.966 -15.516 -5.278 1.00 4.10 H new ATOM 1106 N TYR A 56 -6.217 -12.757 2.498 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.848 -11.726 3.445 1.00 0.32 C ATOM 1108 C TYR A 56 -6.724 -10.491 3.311 1.00 0.33 C ATOM 1109 O TYR A 56 -7.437 -10.317 2.323 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.381 -11.346 3.252 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.420 -12.488 3.503 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -3.006 -13.321 2.468 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.933 -12.737 4.777 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -2.135 -14.367 2.699 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -2.060 -13.780 5.017 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.665 -14.591 3.975 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.800 -15.631 4.210 1.00 0.97 O ATOM 0 H TYR A 56 -6.092 -12.499 1.519 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.997 -12.129 4.447 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -4.240 -10.981 2.235 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -4.137 -10.523 3.923 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.372 -13.146 1.467 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.242 -12.104 5.596 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.824 -15.005 1.885 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.689 -13.959 6.015 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.563 -15.651 5.161 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.653 -9.643 4.322 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.373 -8.383 4.347 1.00 0.34 C ATOM 1129 C ASP A 57 -6.366 -7.256 4.538 1.00 0.29 C ATOM 1130 O ASP A 57 -5.495 -7.338 5.403 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.408 -8.390 5.478 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.252 -7.132 5.532 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -9.095 -6.340 6.486 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.102 -6.944 4.637 1.00 0.99 O ATOM 0 H ASP A 57 -6.089 -9.811 5.155 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.908 -8.236 3.409 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -9.063 -9.253 5.355 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.893 -8.514 6.431 1.00 0.43 H new ATOM 1139 N MET A 58 -6.455 -6.230 3.712 1.00 0.27 N ATOM 1140 CA MET A 58 -5.472 -5.156 3.731 1.00 0.26 C ATOM 1141 C MET A 58 -6.166 -3.814 3.540 1.00 0.27 C ATOM 1142 O MET A 58 -7.077 -3.693 2.724 1.00 0.33 O ATOM 1143 CB MET A 58 -4.417 -5.406 2.638 1.00 0.30 C ATOM 1144 CG MET A 58 -3.274 -4.406 2.611 1.00 0.51 C ATOM 1145 SD MET A 58 -3.728 -2.851 1.841 1.00 0.98 S ATOM 1146 CE MET A 58 -2.275 -1.882 2.185 1.00 0.36 C ATOM 0 H MET A 58 -7.195 -6.115 3.020 1.00 0.27 H new ATOM 0 HA MET A 58 -4.965 -5.135 4.696 1.00 0.26 H new ATOM 0 HB2 MET A 58 -4.003 -6.405 2.775 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.912 -5.396 1.667 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.939 -4.217 3.631 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.431 -4.840 2.074 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.383 -0.893 1.739 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.151 -1.782 3.263 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.400 -2.376 1.763 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.752 -2.808 4.297 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.414 -1.512 4.238 1.00 0.32 C ATOM 1158 C GLU A 59 -5.416 -0.366 4.138 1.00 0.31 C ATOM 1159 O GLU A 59 -4.314 -0.428 4.691 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.316 -1.316 5.463 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.358 -2.413 5.645 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.242 -2.187 6.853 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -8.773 -2.397 7.989 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.415 -1.802 6.678 1.00 1.11 O ATOM 0 H GLU A 59 -4.971 -2.862 4.951 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.024 -1.501 3.334 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -6.693 -1.268 6.356 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.825 -0.356 5.377 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -8.979 -2.470 4.751 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -7.854 -3.374 5.744 1.00 1.03 H new ATOM 1171 N ASN A 60 -5.817 0.673 3.409 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.019 1.883 3.265 1.00 0.42 C ATOM 1173 C ASN A 60 -5.807 3.053 3.837 1.00 0.46 C ATOM 1174 O ASN A 60 -6.347 3.873 3.092 1.00 0.60 O ATOM 1175 CB ASN A 60 -4.682 2.202 1.789 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.303 1.000 0.930 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -4.856 -0.089 1.061 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -3.369 1.205 0.020 1.00 1.02 N ATOM 0 H ASN A 60 -6.703 0.698 2.903 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.080 1.723 3.796 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.542 2.694 1.336 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -3.859 2.916 1.768 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.087 0.447 -0.601 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -2.930 2.122 -0.062 1.00 1.02 H new ATOM 1185 N LEU A 61 -5.896 3.116 5.155 1.00 0.38 N ATOM 1186 CA LEU A 61 -6.687 4.134 5.816 1.00 0.39 C ATOM 1187 C LEU A 61 -5.996 5.491 5.716 1.00 0.39 C ATOM 1188 O LEU A 61 -4.809 5.613 6.016 1.00 0.50 O ATOM 1189 CB LEU A 61 -6.886 3.718 7.279 1.00 0.42 C ATOM 1190 CG LEU A 61 -7.936 4.487 8.082 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -7.406 5.838 8.542 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.213 4.662 7.275 1.00 1.66 C ATOM 0 H LEU A 61 -5.427 2.469 5.789 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.659 4.229 5.333 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -7.152 2.661 7.298 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -5.929 3.815 7.792 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.166 3.898 8.970 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -8.178 6.358 9.110 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -6.530 5.689 9.173 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -7.130 6.436 7.673 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.945 5.212 7.867 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -8.994 5.217 6.363 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.617 3.683 7.016 1.00 1.66 H new ATOM 1204 N THR A 62 -6.741 6.500 5.279 1.00 0.34 N ATOM 1205 CA THR A 62 -6.211 7.845 5.152 1.00 0.35 C ATOM 1206 C THR A 62 -7.230 8.853 5.673 1.00 0.37 C ATOM 1207 O THR A 62 -8.296 8.469 6.165 1.00 0.43 O ATOM 1208 CB THR A 62 -5.864 8.190 3.690 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.052 8.221 2.894 1.00 0.34 O ATOM 1210 CG2 THR A 62 -4.892 7.182 3.101 1.00 0.45 C ATOM 0 H THR A 62 -7.719 6.407 5.006 1.00 0.34 H new ATOM 0 HA THR A 62 -5.295 7.893 5.740 1.00 0.35 H new ATOM 0 HB THR A 62 -5.392 9.173 3.685 1.00 0.36 H new ATOM 0 HG1 THR A 62 -6.820 8.443 1.968 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.667 7.453 2.069 1.00 0.45 H new ATOM 0 HG22 THR A 62 -3.971 7.180 3.685 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.339 6.188 3.126 1.00 0.45 H new ATOM 1218 N THR A 63 -6.909 10.134 5.568 1.00 0.42 N ATOM 1219 CA THR A 63 -7.811 11.185 6.018 1.00 0.46 C ATOM 1220 C THR A 63 -8.652 11.710 4.861 1.00 0.46 C ATOM 1221 O THR A 63 -9.673 12.369 5.067 1.00 0.54 O ATOM 1222 CB THR A 63 -7.023 12.355 6.636 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.327 13.067 5.610 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.012 11.840 7.644 1.00 0.50 C ATOM 0 H THR A 63 -6.030 10.471 5.175 1.00 0.42 H new ATOM 0 HA THR A 63 -8.467 10.752 6.773 1.00 0.46 H new ATOM 0 HB THR A 63 -7.729 13.017 7.137 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.961 13.898 5.979 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.464 12.680 8.071 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.531 11.304 8.438 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.314 11.166 7.147 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.215 11.415 3.641 1.00 0.46 N ATOM 1233 CA LYS A 64 -8.877 11.914 2.444 1.00 0.50 C ATOM 1234 C LYS A 64 -9.656 10.794 1.757 1.00 0.49 C ATOM 1235 O LYS A 64 -10.567 11.046 0.974 1.00 0.60 O ATOM 1236 CB LYS A 64 -7.829 12.504 1.489 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.394 13.061 0.189 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.137 14.371 0.395 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.826 14.827 -0.883 1.00 1.64 C ATOM 1240 NZ LYS A 64 -10.832 13.843 -1.357 1.00 2.24 N ATOM 0 H LYS A 64 -7.401 10.829 3.456 1.00 0.46 H new ATOM 0 HA LYS A 64 -9.584 12.694 2.725 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.293 13.300 2.007 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -7.099 11.731 1.250 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.581 13.215 -0.521 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -9.069 12.329 -0.254 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.877 14.250 1.186 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -8.438 15.139 0.727 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -10.312 15.787 -0.709 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -9.079 14.984 -1.661 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -11.490 14.308 -2.015 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.350 13.061 -1.845 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -11.362 13.469 -0.544 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.299 9.553 2.061 1.00 0.49 N ATOM 1255 CA LYS A 65 -9.938 8.406 1.439 1.00 0.49 C ATOM 1256 C LYS A 65 -10.077 7.266 2.444 1.00 0.52 C ATOM 1257 O LYS A 65 -10.248 7.498 3.644 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.146 7.988 0.182 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.924 7.114 -0.807 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.282 7.702 -1.159 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.129 6.709 -1.933 1.00 1.36 C ATOM 1262 NZ LYS A 65 -13.505 7.217 -2.175 1.00 1.82 N ATOM 0 H LYS A 65 -8.570 9.317 2.735 1.00 0.49 H new ATOM 0 HA LYS A 65 -10.946 8.673 1.121 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.811 8.887 -0.335 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -8.252 7.449 0.496 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.338 6.991 -1.718 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -10.061 6.121 -0.380 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.802 7.993 -0.246 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.146 8.607 -1.751 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -11.650 6.491 -2.888 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.181 5.770 -1.381 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -14.126 6.426 -2.439 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -13.866 7.666 -1.310 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -13.487 7.915 -2.946 1.00 1.82 H new ATOM 1276 N ASP A 66 -9.948 6.059 1.935 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.267 4.819 2.649 1.00 0.39 C ATOM 1278 C ASP A 66 -10.468 3.698 1.649 1.00 0.43 C ATOM 1279 O ASP A 66 -11.341 3.777 0.783 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.537 4.947 3.488 1.00 0.57 C ATOM 1281 CG ASP A 66 -11.976 3.628 4.096 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -11.423 3.237 5.141 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -12.896 2.986 3.543 1.00 2.12 O ATOM 0 H ASP A 66 -9.609 5.898 0.986 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.432 4.607 3.317 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.369 5.671 4.285 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -12.340 5.340 2.865 1.00 0.57 H new ATOM 1288 N THR A 67 -9.649 2.679 1.755 1.00 0.35 N ATOM 1289 CA THR A 67 -9.783 1.499 0.919 1.00 0.32 C ATOM 1290 C THR A 67 -9.951 0.265 1.787 1.00 0.26 C ATOM 1291 O THR A 67 -9.613 0.286 2.973 1.00 0.30 O ATOM 1292 CB THR A 67 -8.550 1.310 0.022 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.371 1.275 0.830 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.439 2.436 -0.990 1.00 0.56 C ATOM 0 H THR A 67 -8.874 2.639 2.417 1.00 0.35 H new ATOM 0 HA THR A 67 -10.661 1.637 0.288 1.00 0.32 H new ATOM 0 HB THR A 67 -8.657 0.369 -0.518 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.824 0.502 0.577 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.558 2.280 -1.613 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.330 2.450 -1.618 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.349 3.388 -0.467 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.472 -0.804 1.210 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.632 -2.041 1.948 1.00 0.23 C ATOM 1304 C HIS A 68 -10.372 -3.235 1.039 1.00 0.22 C ATOM 1305 O HIS A 68 -11.291 -3.785 0.428 1.00 0.27 O ATOM 1306 CB HIS A 68 -12.033 -2.127 2.552 1.00 0.32 C ATOM 1307 CG HIS A 68 -12.138 -3.095 3.689 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -13.063 -2.970 4.700 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.424 -4.209 3.974 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.912 -3.960 5.557 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.922 -4.727 5.138 1.00 1.95 N ATOM 0 H HIS A 68 -10.789 -0.839 0.241 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.905 -2.056 2.760 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -12.331 -1.138 2.900 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.738 -2.417 1.773 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.611 -4.614 3.390 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.498 -4.117 6.450 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.584 -5.568 5.606 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.116 -3.635 0.961 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.729 -4.785 0.162 1.00 0.26 C ATOM 1322 C HIS A 69 -9.105 -6.058 0.905 1.00 0.29 C ATOM 1323 O HIS A 69 -8.293 -6.624 1.633 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.222 -4.780 -0.116 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.711 -3.557 -0.820 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.454 -2.816 -1.714 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.500 -2.964 -0.767 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.715 -1.829 -2.181 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.521 -1.895 -1.623 1.00 0.39 N ATOM 0 H HIS A 69 -8.342 -3.178 1.444 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.253 -4.738 -0.793 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.693 -4.883 0.831 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -6.976 -5.656 -0.716 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.423 -3.002 -1.973 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.664 -3.276 -0.159 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.034 -1.089 -2.901 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.745 -1.257 -1.799 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.343 -6.484 0.744 1.00 0.31 N ATOM 1339 CA LYS A 70 -10.852 -7.640 1.461 1.00 0.37 C ATOM 1340 C LYS A 70 -10.681 -8.933 0.675 1.00 0.31 C ATOM 1341 O LYS A 70 -10.988 -8.996 -0.518 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.325 -7.438 1.805 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.146 -6.820 0.683 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.651 -6.912 0.932 1.00 1.00 C ATOM 1345 CE LYS A 70 -15.057 -6.417 2.312 1.00 1.43 C ATOM 1346 NZ LYS A 70 -14.903 -7.461 3.364 1.00 2.30 N ATOM 0 H LYS A 70 -11.019 -6.045 0.119 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.266 -7.732 2.376 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.760 -8.401 2.071 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.397 -6.801 2.687 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.865 -5.773 0.567 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -12.906 -7.321 -0.255 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.175 -6.329 0.174 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.970 -7.948 0.815 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.452 -5.549 2.575 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -16.095 -6.085 2.284 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.761 -7.492 3.950 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -14.756 -8.387 2.915 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -14.084 -7.233 3.962 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.151 -9.944 1.358 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.135 -11.321 0.862 1.00 0.37 C ATOM 1362 C ASP A 71 -9.300 -11.466 -0.405 1.00 0.33 C ATOM 1363 O ASP A 71 -9.739 -12.072 -1.385 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.564 -11.811 0.593 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.345 -12.125 1.853 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.771 -13.287 2.032 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -12.504 -11.214 2.690 1.00 2.07 O ATOM 0 H ASP A 71 -9.718 -9.833 2.275 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.676 -11.933 1.638 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.099 -11.050 0.024 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.522 -12.704 -0.030 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.091 -10.936 -0.384 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.207 -11.035 -1.535 1.00 0.30 C ATOM 1374 C TRP A 72 -6.127 -12.070 -1.287 1.00 0.31 C ATOM 1375 O TRP A 72 -5.846 -12.431 -0.146 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.554 -9.687 -1.848 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.767 -9.123 -0.704 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.220 -8.246 0.229 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.395 -9.390 -0.370 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.226 -7.955 1.125 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.095 -8.639 0.778 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.386 -10.188 -0.921 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.840 -8.667 1.375 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.143 -10.201 -0.312 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.888 -9.446 0.819 1.00 0.43 C ATOM 0 H TRP A 72 -7.698 -10.434 0.413 1.00 0.29 H new ATOM 0 HA TRP A 72 -7.812 -11.338 -2.389 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.896 -9.803 -2.709 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.328 -8.974 -2.132 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.219 -7.837 0.260 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.316 -7.328 1.924 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.573 -10.782 -1.804 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.632 -8.082 2.259 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.356 -10.813 -0.728 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.906 -9.481 1.267 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.538 -12.560 -2.358 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.380 -13.421 -2.263 1.00 0.50 C ATOM 1398 C ALA A 73 -3.334 -12.968 -3.264 1.00 0.48 C ATOM 1399 O ALA A 73 -3.653 -12.285 -4.237 1.00 0.42 O ATOM 1400 CB ALA A 73 -4.779 -14.864 -2.523 1.00 0.55 C ATOM 0 H ALA A 73 -5.847 -12.374 -3.312 1.00 0.41 H new ATOM 0 HA ALA A 73 -3.961 -13.359 -1.259 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -3.900 -15.504 -2.449 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -5.518 -15.176 -1.785 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.206 -14.949 -3.522 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.085 -13.298 -3.012 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.043 -13.039 -3.984 1.00 0.67 C ATOM 1408 C LEU A 74 -1.249 -13.909 -5.225 1.00 0.57 C ATOM 1409 O LEU A 74 -1.680 -15.060 -5.145 1.00 0.56 O ATOM 1410 CB LEU A 74 0.380 -13.198 -3.403 1.00 0.95 C ATOM 1411 CG LEU A 74 0.591 -14.231 -2.283 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.168 -13.675 -0.926 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.141 -15.524 -2.588 1.00 1.71 C ATOM 0 H LEU A 74 -1.768 -13.742 -2.150 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.125 -11.992 -4.274 1.00 0.67 H new ATOM 0 HB2 LEU A 74 1.049 -13.454 -4.224 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.697 -12.226 -3.025 1.00 0.95 H new ATOM 0 HG LEU A 74 1.658 -14.449 -2.235 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.330 -14.430 -0.157 1.00 1.28 H new ATOM 0 HD12 LEU A 74 0.760 -12.789 -0.695 1.00 1.28 H new ATOM 0 HD13 LEU A 74 -0.888 -13.408 -0.955 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.026 -16.236 -1.780 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.209 -15.324 -2.681 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.233 -15.942 -3.523 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.949 -13.323 -6.363 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.271 -13.921 -7.641 1.00 0.56 C ATOM 1427 C GLY A 75 -2.737 -13.736 -7.999 1.00 0.51 C ATOM 1428 O GLY A 75 -3.201 -14.239 -9.021 1.00 0.59 O ATOM 0 H GLY A 75 -0.477 -12.421 -6.429 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.649 -13.476 -8.417 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.035 -14.985 -7.614 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.463 -13.011 -7.153 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.885 -12.785 -7.353 1.00 0.40 C ATOM 1434 C GLU A 76 -5.157 -11.305 -7.643 1.00 0.36 C ATOM 1435 O GLU A 76 -4.373 -10.433 -7.267 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.645 -13.241 -6.100 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.144 -13.033 -6.154 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.812 -13.881 -7.210 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -7.833 -13.458 -8.385 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.317 -14.972 -6.871 1.00 1.59 O ATOM 0 H GLU A 76 -3.083 -12.568 -6.317 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.228 -13.361 -8.212 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.445 -14.300 -5.937 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.249 -12.705 -5.237 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.574 -13.267 -5.180 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.354 -11.982 -6.351 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.277 -11.038 -8.302 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.663 -9.684 -8.665 1.00 0.43 C ATOM 1449 C GLU A 77 -8.144 -9.493 -8.353 1.00 0.44 C ATOM 1450 O GLU A 77 -8.950 -10.405 -8.559 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.402 -9.441 -10.154 1.00 0.53 C ATOM 1452 CG GLU A 77 -7.389 -10.148 -11.064 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.729 -10.788 -12.262 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -6.522 -12.022 -12.241 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -6.424 -10.068 -13.233 1.00 0.90 O ATOM 0 H GLU A 77 -6.941 -11.753 -8.599 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.072 -8.969 -8.092 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -6.441 -8.370 -10.352 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -5.393 -9.774 -10.397 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.917 -10.913 -10.495 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -8.137 -9.433 -11.406 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.504 -8.341 -7.829 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.896 -8.059 -7.511 1.00 0.41 C ATOM 1464 C PHE A 78 -10.220 -6.599 -7.789 1.00 0.42 C ATOM 1465 O PHE A 78 -9.326 -5.760 -7.837 1.00 0.42 O ATOM 1466 CB PHE A 78 -10.177 -8.391 -6.039 1.00 0.44 C ATOM 1467 CG PHE A 78 -9.426 -7.533 -5.060 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -8.088 -7.777 -4.791 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -10.056 -6.487 -4.407 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -7.397 -6.995 -3.890 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -9.368 -5.703 -3.507 1.00 0.57 C ATOM 1472 CZ PHE A 78 -8.039 -5.946 -3.258 1.00 0.52 C ATOM 0 H PHE A 78 -7.857 -7.583 -7.613 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.530 -8.681 -8.142 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -11.246 -8.286 -5.852 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.923 -9.436 -5.859 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.582 -8.588 -5.293 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -11.098 -6.284 -4.605 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -6.358 -7.201 -3.679 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.874 -4.897 -2.997 1.00 0.57 H new ATOM 0 HZ PHE A 78 -7.495 -5.317 -2.568 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.495 -6.303 -7.986 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.923 -4.934 -8.214 1.00 0.51 C ATOM 1484 C GLN A 79 -12.210 -4.259 -6.882 1.00 0.50 C ATOM 1485 O GLN A 79 -12.815 -4.860 -5.991 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.164 -4.901 -9.105 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.473 -3.525 -9.667 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.689 -3.528 -10.568 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -15.811 -3.297 -10.118 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -14.475 -3.807 -11.842 1.00 1.94 N ATOM 0 H GLN A 79 -12.248 -6.990 -7.992 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.124 -4.394 -8.723 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.027 -5.599 -9.931 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -14.022 -5.251 -8.531 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.635 -2.828 -8.845 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.611 -3.162 -10.227 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -13.528 -3.992 -12.171 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -15.257 -3.837 -12.496 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.789 -3.011 -6.753 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.899 -2.294 -5.485 1.00 0.49 C ATOM 1501 C ASP A 80 -11.826 -0.793 -5.727 1.00 0.52 C ATOM 1502 O ASP A 80 -11.405 -0.351 -6.801 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.776 -2.742 -4.537 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.916 -2.218 -3.114 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -9.921 -2.276 -2.359 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -12.016 -1.756 -2.738 1.00 1.26 O ATOM 0 H ASP A 80 -11.368 -2.470 -7.508 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.860 -2.523 -5.024 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.751 -3.831 -4.511 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.820 -2.411 -4.942 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.216 -0.017 -4.725 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.184 1.428 -4.819 1.00 0.65 C ATOM 1513 C GLU A 81 -10.954 1.930 -4.099 1.00 0.63 C ATOM 1514 O GLU A 81 -10.896 1.957 -2.867 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.443 2.056 -4.224 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.498 3.567 -4.385 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.730 4.174 -3.754 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.839 3.968 -4.283 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.598 4.864 -2.722 1.00 1.81 O ATOM 0 H GLU A 81 -12.560 -0.372 -3.833 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.148 1.715 -5.870 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.319 1.615 -4.699 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.497 1.809 -3.164 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -12.609 4.009 -3.936 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.477 3.817 -5.446 1.00 1.64 H new ATOM 1526 N ALA A 82 -9.973 2.297 -4.887 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.663 2.629 -4.383 1.00 0.67 C ATOM 1528 C ALA A 82 -8.577 4.067 -3.877 1.00 0.60 C ATOM 1529 O ALA A 82 -9.561 4.809 -3.927 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.647 2.370 -5.471 1.00 0.95 C ATOM 0 H ALA A 82 -10.061 2.374 -5.900 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.453 1.997 -3.520 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.651 2.617 -5.105 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.679 1.318 -5.756 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -7.878 2.988 -6.339 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.401 4.454 -3.375 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.178 5.817 -2.891 1.00 0.58 C ATOM 1538 C LEU A 83 -7.527 6.821 -3.978 1.00 0.59 C ATOM 1539 O LEU A 83 -7.982 7.931 -3.704 1.00 0.62 O ATOM 1540 CB LEU A 83 -5.716 6.030 -2.459 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.236 5.236 -1.235 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.235 5.335 -0.092 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -4.958 3.783 -1.595 1.00 1.34 C ATOM 0 H LEU A 83 -6.589 3.842 -3.294 1.00 0.60 H new ATOM 0 HA LEU A 83 -7.821 5.967 -2.024 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.072 5.778 -3.302 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.573 7.091 -2.254 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.299 5.680 -0.899 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -5.870 4.764 0.761 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.356 6.379 0.196 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.196 4.933 -0.413 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.620 3.247 -0.708 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -5.870 3.321 -1.973 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.185 3.740 -2.362 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.354 6.378 -5.214 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.571 7.206 -6.398 1.00 0.67 C ATOM 1557 C ASP A 84 -9.049 7.540 -6.610 1.00 0.69 C ATOM 1558 O ASP A 84 -9.408 8.184 -7.598 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.002 6.510 -7.636 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.438 5.060 -7.745 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.567 4.166 -7.772 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.664 4.804 -7.811 1.00 1.39 O ATOM 0 H ASP A 84 -7.057 5.426 -5.429 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.048 8.149 -6.237 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.320 7.049 -8.529 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.913 6.557 -7.606 1.00 0.70 H new ATOM 1567 N SER A 85 -9.894 7.093 -5.682 1.00 0.67 N ATOM 1568 CA SER A 85 -11.312 7.449 -5.660 1.00 0.74 C ATOM 1569 C SER A 85 -12.078 6.840 -6.834 1.00 0.77 C ATOM 1570 O SER A 85 -13.173 7.289 -7.178 1.00 1.09 O ATOM 1571 CB SER A 85 -11.473 8.973 -5.638 1.00 0.84 C ATOM 1572 OG SER A 85 -10.757 9.538 -4.545 1.00 1.21 O ATOM 0 H SER A 85 -9.614 6.472 -4.923 1.00 0.67 H new ATOM 0 HA SER A 85 -11.742 7.032 -4.750 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.110 9.396 -6.575 1.00 0.84 H new ATOM 0 HB3 SER A 85 -12.529 9.231 -5.560 1.00 0.84 H new ATOM 0 HG SER A 85 -10.870 10.511 -4.548 1.00 1.21 H new ATOM 1578 N THR A 86 -11.507 5.812 -7.438 1.00 0.67 N ATOM 1579 CA THR A 86 -12.191 5.077 -8.485 1.00 0.67 C ATOM 1580 C THR A 86 -12.149 3.589 -8.190 1.00 0.66 C ATOM 1581 O THR A 86 -11.365 3.137 -7.354 1.00 0.76 O ATOM 1582 CB THR A 86 -11.583 5.348 -9.876 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.151 5.270 -9.831 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.005 6.712 -10.396 1.00 0.93 C ATOM 0 H THR A 86 -10.572 5.468 -7.221 1.00 0.67 H new ATOM 0 HA THR A 86 -13.225 5.422 -8.501 1.00 0.67 H new ATOM 0 HB THR A 86 -11.957 4.582 -10.555 1.00 0.76 H new ATOM 0 HG1 THR A 86 -9.876 4.765 -9.037 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.563 6.879 -11.378 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.091 6.751 -10.475 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.663 7.485 -9.708 1.00 0.93 H new ATOM 1592 N GLN A 87 -12.974 2.824 -8.885 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.017 1.389 -8.684 1.00 0.76 C ATOM 1594 C GLN A 87 -12.457 0.708 -9.909 1.00 0.66 C ATOM 1595 O GLN A 87 -12.945 0.901 -11.020 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.436 0.874 -8.401 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.549 1.743 -8.967 1.00 0.98 C ATOM 1598 CD GLN A 87 -15.890 2.915 -8.064 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -15.799 2.705 -6.761 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -16.258 3.990 -8.536 1.00 1.33 N flip ATOM 0 H GLN A 87 -13.621 3.174 -9.592 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.416 1.156 -7.805 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -14.533 -0.131 -8.812 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.570 0.791 -7.322 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.250 2.118 -9.946 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -16.440 1.134 -9.118 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -16.314 4.110 -9.547 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -16.507 4.761 -7.916 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.428 -0.075 -9.700 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.713 -0.700 -10.791 1.00 0.53 C ATOM 1611 C HIS A 88 -10.085 -1.995 -10.325 1.00 0.49 C ATOM 1612 O HIS A 88 -10.233 -2.376 -9.166 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.642 0.241 -11.336 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.765 0.835 -10.285 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.754 0.139 -9.662 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.769 2.068 -9.732 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.179 0.918 -8.770 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.773 2.093 -8.795 1.00 0.97 N ATOM 0 H HIS A 88 -11.062 -0.298 -8.775 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.420 -0.919 -11.592 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.021 -0.304 -12.047 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.127 1.046 -11.888 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -7.492 -0.827 -9.860 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -9.434 2.881 -9.983 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.358 0.640 -8.126 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.530 2.892 -8.210 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.371 -2.649 -11.222 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.714 -3.895 -10.898 1.00 0.49 C ATOM 1629 C LYS A 89 -7.507 -3.625 -10.015 1.00 0.45 C ATOM 1630 O LYS A 89 -6.808 -2.621 -10.188 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.278 -4.614 -12.175 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.723 -6.011 -11.932 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.279 -6.683 -13.223 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.115 -5.950 -13.871 1.00 1.15 C ATOM 1635 NZ LYS A 89 -5.649 -6.634 -15.105 1.00 1.49 N ATOM 0 H LYS A 89 -9.233 -2.335 -12.182 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.415 -4.534 -10.361 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -9.130 -4.684 -12.851 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -7.520 -4.014 -12.678 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -6.878 -5.951 -11.246 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -8.484 -6.624 -11.448 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -6.989 -7.713 -13.015 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.117 -6.722 -13.919 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -6.417 -4.931 -14.112 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -5.290 -5.879 -13.162 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.156 -5.951 -15.715 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -4.998 -7.404 -14.850 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.467 -7.026 -15.615 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.294 -4.495 -9.056 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.147 -4.416 -8.181 1.00 0.35 C ATOM 1651 C ILE A 90 -5.581 -5.804 -7.943 1.00 0.34 C ATOM 1652 O ILE A 90 -6.262 -6.689 -7.420 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.500 -3.742 -6.842 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.735 -2.246 -7.064 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.396 -3.971 -5.823 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.102 -1.487 -5.817 1.00 0.54 C ATOM 0 H ILE A 90 -7.914 -5.281 -8.860 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.392 -3.799 -8.669 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.415 -4.186 -6.450 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.833 -1.807 -7.490 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.529 -2.120 -7.800 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.662 -3.488 -4.883 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.270 -5.041 -5.658 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.463 -3.549 -6.196 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.251 -0.435 -6.062 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.022 -1.896 -5.399 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.299 -1.579 -5.086 1.00 0.54 H new ATOM 1668 N THR A 91 -4.342 -5.991 -8.353 1.00 0.30 N ATOM 1669 CA THR A 91 -3.699 -7.283 -8.266 1.00 0.30 C ATOM 1670 C THR A 91 -2.634 -7.290 -7.174 1.00 0.28 C ATOM 1671 O THR A 91 -1.868 -6.333 -7.027 1.00 0.31 O ATOM 1672 CB THR A 91 -3.054 -7.652 -9.616 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.986 -7.411 -10.682 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.615 -9.108 -9.636 1.00 0.37 C ATOM 0 H THR A 91 -3.758 -5.256 -8.753 1.00 0.30 H new ATOM 0 HA THR A 91 -4.462 -8.020 -8.016 1.00 0.30 H new ATOM 0 HB THR A 91 -2.171 -7.028 -9.753 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.571 -7.645 -11.538 1.00 0.43 H new ATOM 0 HG21 THR A 91 -2.164 -9.339 -10.601 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.886 -9.279 -8.844 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.481 -9.751 -9.477 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.595 -8.372 -6.419 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.584 -8.565 -5.393 1.00 0.33 C ATOM 1684 C PHE A 92 -0.689 -9.713 -5.797 1.00 0.39 C ATOM 1685 O PHE A 92 -1.163 -10.681 -6.381 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.218 -8.866 -4.035 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.674 -7.648 -3.290 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.879 -7.045 -3.606 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.899 -7.103 -2.285 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -4.304 -5.918 -2.932 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -2.318 -5.977 -1.606 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.513 -5.406 -1.894 1.00 0.52 C ATOM 0 H PHE A 92 -3.261 -9.141 -6.498 1.00 0.30 H new ATOM 0 HA PHE A 92 -1.006 -7.646 -5.298 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.071 -9.529 -4.183 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.497 -9.406 -3.421 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.494 -7.461 -4.390 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.956 -7.562 -2.028 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -5.233 -5.437 -3.201 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.689 -5.548 -0.840 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.856 -4.556 -1.323 1.00 0.52 H new ATOM 1702 N ASP A 93 0.594 -9.604 -5.507 1.00 0.37 N ATOM 1703 CA ASP A 93 1.537 -10.658 -5.856 1.00 0.43 C ATOM 1704 C ASP A 93 2.847 -10.460 -5.116 1.00 0.36 C ATOM 1705 O ASP A 93 3.194 -9.342 -4.747 1.00 0.39 O ATOM 1706 CB ASP A 93 1.775 -10.670 -7.372 1.00 0.58 C ATOM 1707 CG ASP A 93 2.773 -11.722 -7.809 1.00 0.80 C ATOM 1708 OD1 ASP A 93 3.725 -11.369 -8.538 1.00 1.69 O ATOM 1709 OD2 ASP A 93 2.611 -12.902 -7.430 1.00 1.24 O ATOM 0 H ASP A 93 1.009 -8.802 -5.033 1.00 0.37 H new ATOM 0 HA ASP A 93 1.116 -11.619 -5.560 1.00 0.43 H new ATOM 0 HB2 ASP A 93 0.827 -10.844 -7.881 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.130 -9.688 -7.686 1.00 0.58 H new ATOM 1714 N LEU A 94 3.563 -11.544 -4.882 1.00 0.42 N ATOM 1715 CA LEU A 94 4.863 -11.466 -4.244 1.00 0.51 C ATOM 1716 C LEU A 94 5.948 -11.448 -5.306 1.00 0.56 C ATOM 1717 O LEU A 94 6.158 -12.429 -6.027 1.00 0.63 O ATOM 1718 CB LEU A 94 5.075 -12.630 -3.278 1.00 0.61 C ATOM 1719 CG LEU A 94 4.942 -12.293 -1.786 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.065 -11.371 -1.340 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.593 -11.660 -1.492 1.00 1.12 C ATOM 0 H LEU A 94 3.266 -12.489 -5.124 1.00 0.42 H new ATOM 0 HA LEU A 94 4.912 -10.545 -3.663 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.357 -13.413 -3.520 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.068 -13.044 -3.450 1.00 0.61 H new ATOM 0 HG LEU A 94 5.015 -13.224 -1.224 1.00 0.64 H new ATOM 0 HD11 LEU A 94 5.951 -11.145 -0.280 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.025 -11.860 -1.506 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.026 -10.445 -1.914 1.00 1.02 H new ATOM 0 HD21 LEU A 94 3.523 -11.430 -0.429 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.489 -10.741 -2.069 1.00 1.12 H new ATOM 0 HD23 LEU A 94 2.798 -12.353 -1.767 1.00 1.12 H new ATOM 1733 N LYS A 95 6.643 -10.333 -5.382 1.00 0.58 N ATOM 1734 CA LYS A 95 7.627 -10.119 -6.428 1.00 0.66 C ATOM 1735 C LYS A 95 8.962 -10.699 -6.001 1.00 0.69 C ATOM 1736 O LYS A 95 9.612 -11.429 -6.750 1.00 0.78 O ATOM 1737 CB LYS A 95 7.761 -8.625 -6.725 1.00 0.70 C ATOM 1738 CG LYS A 95 8.871 -8.293 -7.704 1.00 0.91 C ATOM 1739 CD LYS A 95 8.884 -6.816 -8.049 1.00 1.61 C ATOM 1740 CE LYS A 95 10.139 -6.443 -8.816 1.00 2.08 C ATOM 1741 NZ LYS A 95 11.351 -6.508 -7.957 1.00 3.03 N ATOM 0 H LYS A 95 6.546 -9.555 -4.729 1.00 0.58 H new ATOM 0 HA LYS A 95 7.300 -10.623 -7.338 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.816 -8.257 -7.124 1.00 0.70 H new ATOM 0 HB3 LYS A 95 7.942 -8.093 -5.791 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.832 -8.576 -7.275 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.743 -8.879 -8.614 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.004 -6.571 -8.644 1.00 1.61 H new ATOM 0 HD3 LYS A 95 8.824 -6.226 -7.135 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.259 -7.115 -9.665 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.033 -5.436 -9.219 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 12.188 -6.246 -8.517 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 11.247 -5.848 -7.160 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 11.467 -7.475 -7.593 1.00 3.03 H new ATOM 1755 N ASP A 96 9.350 -10.381 -4.782 1.00 0.65 N ATOM 1756 CA ASP A 96 10.567 -10.904 -4.192 1.00 0.70 C ATOM 1757 C ASP A 96 10.249 -11.357 -2.777 1.00 0.65 C ATOM 1758 O ASP A 96 9.183 -11.029 -2.257 1.00 0.60 O ATOM 1759 CB ASP A 96 11.671 -9.836 -4.183 1.00 0.76 C ATOM 1760 CG ASP A 96 12.140 -9.459 -5.575 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.717 -8.397 -6.080 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.920 -10.227 -6.179 1.00 1.79 O ATOM 0 H ASP A 96 8.829 -9.751 -4.171 1.00 0.65 H new ATOM 0 HA ASP A 96 10.933 -11.745 -4.781 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.303 -8.944 -3.676 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.520 -10.203 -3.606 1.00 0.76 H new ATOM 1767 N PRO A 97 11.155 -12.107 -2.123 1.00 0.73 N ATOM 1768 CA PRO A 97 10.922 -12.636 -0.773 1.00 0.76 C ATOM 1769 C PRO A 97 10.814 -11.529 0.274 1.00 0.66 C ATOM 1770 O PRO A 97 10.593 -11.794 1.458 1.00 0.73 O ATOM 1771 CB PRO A 97 12.152 -13.514 -0.504 1.00 0.91 C ATOM 1772 CG PRO A 97 12.763 -13.747 -1.845 1.00 0.98 C ATOM 1773 CD PRO A 97 12.472 -12.510 -2.638 1.00 0.87 C ATOM 0 HA PRO A 97 9.979 -13.180 -0.711 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.852 -13.017 0.167 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.869 -14.454 -0.031 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.837 -13.917 -1.763 1.00 0.98 H new ATOM 0 HG3 PRO A 97 12.336 -14.629 -2.323 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.225 -11.738 -2.477 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.445 -12.711 -3.709 1.00 0.87 H new ATOM 1781 N ASN A 98 10.963 -10.292 -0.176 1.00 0.57 N ATOM 1782 CA ASN A 98 10.840 -9.134 0.691 1.00 0.55 C ATOM 1783 C ASN A 98 10.168 -7.990 -0.066 1.00 0.46 C ATOM 1784 O ASN A 98 10.476 -6.820 0.151 1.00 0.50 O ATOM 1785 CB ASN A 98 12.218 -8.701 1.206 1.00 0.68 C ATOM 1786 CG ASN A 98 12.134 -7.685 2.334 1.00 1.38 C ATOM 1787 OD1 ASN A 98 11.191 -7.696 3.123 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.122 -6.807 2.422 1.00 1.91 N ATOM 0 H ASN A 98 11.172 -10.065 -1.148 1.00 0.57 H new ATOM 0 HA ASN A 98 10.223 -9.399 1.550 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.763 -9.579 1.554 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.791 -8.276 0.382 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.118 -6.107 3.164 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.887 -6.831 1.748 1.00 1.91 H new ATOM 1795 N THR A 99 9.255 -8.329 -0.973 1.00 0.43 N ATOM 1796 CA THR A 99 8.547 -7.313 -1.748 1.00 0.39 C ATOM 1797 C THR A 99 7.182 -7.810 -2.235 1.00 0.33 C ATOM 1798 O THR A 99 7.094 -8.704 -3.080 1.00 0.37 O ATOM 1799 CB THR A 99 9.376 -6.842 -2.961 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.652 -6.349 -2.523 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.641 -5.746 -3.720 1.00 0.51 C ATOM 0 H THR A 99 8.990 -9.290 -1.188 1.00 0.43 H new ATOM 0 HA THR A 99 8.393 -6.472 -1.073 1.00 0.39 H new ATOM 0 HB THR A 99 9.524 -7.693 -3.626 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.172 -6.054 -3.299 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.242 -5.427 -4.572 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.684 -6.128 -4.074 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.470 -4.897 -3.058 1.00 0.51 H new ATOM 1809 N LEU A 100 6.132 -7.221 -1.682 1.00 0.28 N ATOM 1810 CA LEU A 100 4.758 -7.475 -2.108 1.00 0.26 C ATOM 1811 C LEU A 100 4.359 -6.401 -3.118 1.00 0.27 C ATOM 1812 O LEU A 100 4.601 -5.228 -2.879 1.00 0.34 O ATOM 1813 CB LEU A 100 3.836 -7.396 -0.882 1.00 0.28 C ATOM 1814 CG LEU A 100 2.572 -8.265 -0.895 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.770 -8.017 0.370 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.711 -7.990 -2.117 1.00 1.10 C ATOM 0 H LEU A 100 6.207 -6.548 -0.919 1.00 0.28 H new ATOM 0 HA LEU A 100 4.674 -8.462 -2.563 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.421 -7.665 -0.002 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.530 -6.357 -0.756 1.00 0.28 H new ATOM 0 HG LEU A 100 2.882 -9.309 -0.938 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.872 -8.635 0.359 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.375 -8.271 1.240 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.486 -6.966 0.420 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.826 -8.625 -2.089 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.407 -6.943 -2.120 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.282 -8.204 -3.020 1.00 1.10 H new ATOM 1828 N THR A 101 3.754 -6.763 -4.237 1.00 0.29 N ATOM 1829 CA THR A 101 3.360 -5.761 -5.212 1.00 0.31 C ATOM 1830 C THR A 101 1.848 -5.595 -5.260 1.00 0.30 C ATOM 1831 O THR A 101 1.103 -6.574 -5.372 1.00 0.31 O ATOM 1832 CB THR A 101 3.884 -6.095 -6.621 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.679 -7.483 -6.915 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.356 -5.747 -6.736 1.00 0.41 C ATOM 0 H THR A 101 3.528 -7.725 -4.490 1.00 0.29 H new ATOM 0 HA THR A 101 3.810 -4.822 -4.888 1.00 0.31 H new ATOM 0 HB THR A 101 3.328 -5.499 -7.345 1.00 0.36 H new ATOM 0 HG1 THR A 101 4.015 -7.680 -7.814 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.710 -5.989 -7.738 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.494 -4.682 -6.550 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.924 -6.319 -6.002 1.00 0.41 H new ATOM 1842 N GLU A 102 1.408 -4.350 -5.151 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.006 -4.016 -5.258 1.00 0.33 C ATOM 1844 C GLU A 102 -0.239 -3.209 -6.530 1.00 0.35 C ATOM 1845 O GLU A 102 0.076 -2.016 -6.588 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.468 -3.222 -4.028 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.975 -3.001 -3.967 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.409 -2.191 -2.757 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.893 -2.455 -1.644 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.256 -1.295 -2.906 1.00 0.98 O ATOM 0 H GLU A 102 2.016 -3.547 -4.987 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.588 -4.937 -5.303 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.151 -3.748 -3.128 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.032 -2.253 -4.024 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.299 -2.490 -4.874 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.478 -3.968 -3.949 1.00 0.56 H new ATOM 1857 N THR A 103 -0.779 -3.858 -7.546 1.00 0.36 N ATOM 1858 CA THR A 103 -0.928 -3.242 -8.851 1.00 0.39 C ATOM 1859 C THR A 103 -2.337 -2.688 -9.038 1.00 0.39 C ATOM 1860 O THR A 103 -3.310 -3.437 -9.110 1.00 0.42 O ATOM 1861 CB THR A 103 -0.622 -4.263 -9.963 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.641 -4.891 -9.705 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.588 -3.594 -11.330 1.00 0.46 C ATOM 0 H THR A 103 -1.123 -4.817 -7.491 1.00 0.36 H new ATOM 0 HA THR A 103 -0.219 -2.417 -8.914 1.00 0.39 H new ATOM 0 HB THR A 103 -1.415 -5.011 -9.967 1.00 0.43 H new ATOM 0 HG1 THR A 103 0.833 -5.541 -10.412 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.370 -4.340 -12.095 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.556 -3.136 -11.535 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.186 -2.827 -11.340 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.440 -1.369 -9.100 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.719 -0.708 -9.317 1.00 0.45 C ATOM 1873 C HIS A 104 -3.941 -0.471 -10.805 1.00 0.40 C ATOM 1874 O HIS A 104 -3.427 0.497 -11.361 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.775 0.648 -8.605 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.708 0.605 -7.112 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.194 1.627 -6.322 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.203 -0.317 -6.263 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -3.989 1.332 -5.054 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.390 0.160 -4.994 1.00 1.69 N ATOM 0 H HIS A 104 -1.649 -0.732 -9.003 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.493 -1.360 -8.913 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -2.951 1.262 -8.969 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.698 1.150 -8.894 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -2.739 -1.254 -6.535 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -4.265 1.946 -4.209 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -3.110 -0.317 -4.137 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.695 -1.344 -11.450 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.002 -1.157 -12.857 1.00 0.52 C ATOM 1891 C ILE A 105 -6.389 -0.581 -13.046 1.00 0.54 C ATOM 1892 O ILE A 105 -7.397 -1.237 -12.778 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.874 -2.454 -13.671 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.422 -2.930 -13.638 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.356 -2.236 -15.110 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.112 -3.997 -14.653 1.00 0.75 C ATOM 0 H ILE A 105 -5.101 -2.179 -11.029 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.261 -0.451 -13.232 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.505 -3.225 -13.229 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.765 -2.077 -13.809 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.197 -3.312 -12.642 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.258 -3.165 -15.671 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.401 -1.926 -15.101 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.752 -1.461 -15.583 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.064 -4.285 -14.570 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.743 -4.867 -14.470 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.305 -3.613 -15.655 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.421 0.665 -13.473 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.666 1.353 -13.760 1.00 0.63 C ATOM 1910 C LYS A 106 -8.406 0.678 -14.907 1.00 0.67 C ATOM 1911 O LYS A 106 -7.926 0.635 -16.033 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.386 2.821 -14.080 1.00 0.73 C ATOM 1913 CG LYS A 106 -6.728 3.568 -12.932 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.413 5.008 -13.303 1.00 1.05 C ATOM 1915 CE LYS A 106 -5.798 5.756 -12.130 1.00 1.47 C ATOM 1916 NZ LYS A 106 -5.534 7.181 -12.456 1.00 1.61 N ATOM 0 H LYS A 106 -5.586 1.230 -13.631 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.306 1.303 -12.879 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -6.743 2.879 -14.958 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.323 3.315 -14.337 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.386 3.552 -12.063 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -5.809 3.057 -12.645 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -5.727 5.026 -14.150 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.325 5.512 -13.621 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -6.468 5.698 -11.272 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -4.866 5.272 -11.840 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -5.594 7.752 -11.589 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -4.582 7.273 -12.866 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.240 7.517 -13.142 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.562 0.120 -14.579 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.415 -0.540 -15.559 1.00 0.78 C ATOM 1932 C VAL A 107 -10.876 0.434 -16.640 1.00 0.86 C ATOM 1933 O VAL A 107 -11.250 0.029 -17.741 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.637 -1.190 -14.905 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.222 -2.375 -14.051 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.368 -0.169 -14.081 1.00 1.11 C ATOM 0 H VAL A 107 -9.935 0.111 -13.630 1.00 0.70 H new ATOM 0 HA VAL A 107 -9.811 -1.322 -16.018 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.304 -1.559 -15.684 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.105 -2.822 -13.595 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.721 -3.115 -14.675 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.541 -2.039 -13.269 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.238 -0.632 -13.616 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.705 0.217 -13.307 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.693 0.651 -14.722 1.00 1.11 H new ATOM 1946 N ASP A 108 -10.849 1.718 -16.313 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.227 2.760 -17.251 1.00 1.00 C ATOM 1948 C ASP A 108 -10.069 3.074 -18.193 1.00 0.97 C ATOM 1949 O ASP A 108 -10.260 3.192 -19.403 1.00 1.06 O ATOM 1950 CB ASP A 108 -11.685 4.020 -16.502 1.00 1.05 C ATOM 1951 CG ASP A 108 -10.665 4.522 -15.497 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -10.244 5.694 -15.600 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -10.282 3.746 -14.597 1.00 2.50 O ATOM 0 H ASP A 108 -10.566 2.063 -15.396 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.064 2.402 -17.850 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.892 4.809 -17.225 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.621 3.807 -15.985 1.00 1.05 H new ATOM 1958 N ASP A 109 -8.868 3.182 -17.637 1.00 0.91 N ATOM 1959 CA ASP A 109 -7.665 3.392 -18.437 1.00 0.92 C ATOM 1960 C ASP A 109 -6.501 2.605 -17.866 1.00 0.84 C ATOM 1961 O ASP A 109 -5.783 3.076 -16.981 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.288 4.876 -18.527 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.014 5.603 -19.640 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -8.833 6.497 -19.334 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -7.792 5.268 -20.824 1.00 1.94 O ATOM 0 H ASP A 109 -8.700 3.128 -16.632 1.00 0.91 H new ATOM 0 HA ASP A 109 -7.885 3.037 -19.444 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -7.512 5.361 -17.577 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -6.213 4.964 -18.684 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.294 1.392 -18.383 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.226 0.496 -17.937 1.00 0.78 C ATOM 1972 C PRO A 110 -3.849 0.952 -18.408 1.00 0.86 C ATOM 1973 O PRO A 110 -2.855 0.247 -18.243 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.603 -0.836 -18.576 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.371 -0.466 -19.790 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.112 0.785 -19.444 1.00 0.83 C ATOM 0 HA PRO A 110 -5.148 0.457 -16.851 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.717 -1.418 -18.830 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.202 -1.445 -17.899 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.706 -0.303 -20.638 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.060 -1.262 -20.073 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.206 1.446 -20.305 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.122 0.569 -19.097 1.00 0.83 H new ATOM 1984 N THR A 111 -3.803 2.124 -19.013 1.00 0.93 N ATOM 1985 CA THR A 111 -2.550 2.742 -19.395 1.00 1.05 C ATOM 1986 C THR A 111 -2.088 3.706 -18.312 1.00 0.94 C ATOM 1987 O THR A 111 -0.934 4.134 -18.284 1.00 0.98 O ATOM 1988 CB THR A 111 -2.704 3.489 -20.727 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.836 4.369 -20.663 1.00 1.33 O ATOM 1990 CG2 THR A 111 -2.894 2.504 -21.861 1.00 1.47 C ATOM 0 H THR A 111 -4.630 2.671 -19.252 1.00 0.93 H new ATOM 0 HA THR A 111 -1.802 1.958 -19.517 1.00 1.05 H new ATOM 0 HB THR A 111 -1.800 4.071 -20.908 1.00 1.30 H new ATOM 0 HG1 THR A 111 -3.929 4.845 -21.515 1.00 1.33 H new ATOM 0 HG21 THR A 111 -3.002 3.047 -22.800 1.00 1.47 H new ATOM 0 HG22 THR A 111 -2.027 1.846 -21.920 1.00 1.47 H new ATOM 0 HG23 THR A 111 -3.790 1.910 -21.680 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.003 4.024 -17.404 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.718 4.949 -16.312 1.00 0.86 C ATOM 2000 C ASP A 112 -2.683 4.180 -14.995 1.00 0.79 C ATOM 2001 O ASP A 112 -3.247 4.600 -13.987 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.785 6.054 -16.262 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.333 7.284 -15.491 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.611 7.361 -14.274 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.681 8.172 -16.083 1.00 1.40 O ATOM 0 H ASP A 112 -3.953 3.653 -17.402 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.748 5.418 -16.477 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.046 6.346 -17.279 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.690 5.657 -15.803 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.034 3.027 -15.024 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.941 2.169 -13.857 1.00 0.68 C ATOM 2012 C VAL A 113 -0.874 2.649 -12.884 1.00 0.60 C ATOM 2013 O VAL A 113 -0.217 3.662 -13.119 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.630 0.722 -14.266 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.688 0.208 -15.218 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.254 0.622 -14.896 1.00 1.23 C ATOM 0 H VAL A 113 -1.561 2.663 -15.851 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.910 2.210 -13.360 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.636 0.103 -13.369 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -2.456 -0.819 -15.500 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.662 0.239 -14.730 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.709 0.834 -16.110 1.00 1.60 H new ATOM 0 HG21 VAL A 113 -0.057 -0.412 -15.177 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.213 1.253 -15.784 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.499 0.953 -14.181 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.727 1.924 -11.786 1.00 0.45 N ATOM 2027 CA GLU A 114 0.313 2.205 -10.808 1.00 0.47 C ATOM 2028 C GLU A 114 0.557 0.970 -9.949 1.00 0.44 C ATOM 2029 O GLU A 114 -0.329 0.128 -9.801 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.081 3.396 -9.929 1.00 0.64 C ATOM 2031 CG GLU A 114 1.032 3.875 -9.012 1.00 0.96 C ATOM 2032 CD GLU A 114 2.332 4.124 -9.748 1.00 1.94 C ATOM 2033 OE1 GLU A 114 3.087 3.157 -9.953 1.00 2.78 O ATOM 2034 OE2 GLU A 114 2.595 5.289 -10.117 1.00 2.10 O ATOM 0 H GLU A 114 -1.321 1.129 -11.548 1.00 0.45 H new ATOM 0 HA GLU A 114 1.232 2.461 -11.335 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.392 4.221 -10.569 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -0.944 3.119 -9.324 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.718 4.794 -8.517 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.198 3.133 -8.231 1.00 0.96 H new ATOM 2041 N THR A 115 1.751 0.855 -9.398 1.00 0.45 N ATOM 2042 CA THR A 115 2.105 -0.296 -8.587 1.00 0.45 C ATOM 2043 C THR A 115 2.849 0.130 -7.324 1.00 0.44 C ATOM 2044 O THR A 115 3.767 0.946 -7.373 1.00 0.51 O ATOM 2045 CB THR A 115 2.976 -1.284 -9.392 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.349 -1.566 -10.651 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.179 -2.585 -8.627 1.00 0.53 C ATOM 0 H THR A 115 2.494 1.546 -9.497 1.00 0.45 H new ATOM 0 HA THR A 115 1.178 -0.791 -8.297 1.00 0.45 H new ATOM 0 HB THR A 115 3.950 -0.823 -9.556 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.905 -2.192 -11.160 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.796 -3.262 -9.218 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.675 -2.376 -7.679 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.212 -3.049 -8.436 1.00 0.53 H new ATOM 2055 N TYR A 116 2.433 -0.422 -6.196 1.00 0.41 N ATOM 2056 CA TYR A 116 3.131 -0.209 -4.937 1.00 0.43 C ATOM 2057 C TYR A 116 4.016 -1.411 -4.692 1.00 0.38 C ATOM 2058 O TYR A 116 3.702 -2.500 -5.179 1.00 0.39 O ATOM 2059 CB TYR A 116 2.154 -0.084 -3.764 1.00 0.54 C ATOM 2060 CG TYR A 116 1.088 0.982 -3.903 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.246 2.079 -4.742 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.083 0.889 -3.164 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.264 3.049 -4.838 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.068 1.849 -3.257 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.890 2.927 -4.093 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.871 3.889 -4.176 1.00 0.96 O ATOM 0 H TYR A 116 1.612 -1.023 -6.126 1.00 0.41 H new ATOM 0 HA TYR A 116 3.704 0.716 -5.004 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.662 -1.046 -3.622 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.727 0.118 -2.859 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.148 2.176 -5.327 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.226 0.047 -2.502 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.401 3.897 -5.493 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.974 1.755 -2.677 1.00 0.91 H new ATOM 0 HH TYR A 116 -1.859 4.292 -5.069 1.00 0.96 H new ATOM 2076 N GLU A 117 5.097 -1.268 -3.938 1.00 0.37 N ATOM 2077 CA GLU A 117 5.918 -2.414 -3.593 1.00 0.35 C ATOM 2078 C GLU A 117 6.184 -2.376 -2.094 1.00 0.34 C ATOM 2079 O GLU A 117 6.842 -1.460 -1.601 1.00 0.44 O ATOM 2080 CB GLU A 117 7.255 -2.404 -4.337 1.00 0.44 C ATOM 2081 CG GLU A 117 7.144 -2.268 -5.846 1.00 0.92 C ATOM 2082 CD GLU A 117 8.485 -2.430 -6.526 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.772 -3.538 -7.033 1.00 1.27 O ATOM 2084 OE2 GLU A 117 9.258 -1.455 -6.571 1.00 1.18 O ATOM 0 H GLU A 117 5.421 -0.379 -3.558 1.00 0.37 H new ATOM 0 HA GLU A 117 5.385 -3.320 -3.880 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.861 -1.582 -3.956 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.789 -3.326 -4.108 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.450 -3.017 -6.228 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.727 -1.292 -6.093 1.00 0.92 H new ATOM 2091 N TYR A 118 5.649 -3.343 -1.376 1.00 0.29 N ATOM 2092 CA TYR A 118 5.804 -3.403 0.064 1.00 0.29 C ATOM 2093 C TYR A 118 7.048 -4.196 0.430 1.00 0.31 C ATOM 2094 O TYR A 118 7.068 -5.425 0.351 1.00 0.41 O ATOM 2095 CB TYR A 118 4.567 -4.026 0.714 1.00 0.32 C ATOM 2096 CG TYR A 118 3.298 -3.242 0.460 1.00 0.35 C ATOM 2097 CD1 TYR A 118 3.068 -2.040 1.111 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.329 -3.701 -0.425 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.916 -1.323 0.890 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.181 -2.988 -0.647 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.978 -1.805 0.011 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.164 -1.106 -0.229 1.00 0.60 O ATOM 0 H TYR A 118 5.098 -4.105 -1.771 1.00 0.29 H new ATOM 0 HA TYR A 118 5.915 -2.386 0.440 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.440 -5.041 0.338 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.730 -4.102 1.789 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.806 -1.661 1.803 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.484 -4.634 -0.946 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.750 -0.388 1.404 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.439 -3.358 -1.339 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.700 -1.576 -0.901 1.00 0.60 H new ATOM 2112 N ARG A 119 8.086 -3.474 0.805 1.00 0.31 N ATOM 2113 CA ARG A 119 9.342 -4.071 1.213 1.00 0.35 C ATOM 2114 C ARG A 119 9.551 -3.833 2.699 1.00 0.35 C ATOM 2115 O ARG A 119 9.198 -2.780 3.211 1.00 0.42 O ATOM 2116 CB ARG A 119 10.492 -3.461 0.400 1.00 0.46 C ATOM 2117 CG ARG A 119 11.873 -3.922 0.836 1.00 1.14 C ATOM 2118 CD ARG A 119 12.959 -3.388 -0.085 1.00 1.30 C ATOM 2119 NE ARG A 119 13.026 -1.927 -0.083 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.142 -1.229 0.143 1.00 2.50 C ATOM 2121 NH1 ARG A 119 15.278 -1.858 0.421 1.00 2.76 N ATOM 2122 NH2 ARG A 119 14.123 0.097 0.090 1.00 3.41 N ATOM 0 H ARG A 119 8.082 -2.454 0.835 1.00 0.31 H new ATOM 0 HA ARG A 119 9.320 -5.145 1.028 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.352 -3.712 -0.652 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.442 -2.375 0.478 1.00 0.46 H new ATOM 0 HG2 ARG A 119 12.063 -3.588 1.856 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.907 -5.011 0.846 1.00 1.14 H new ATOM 0 HD2 ARG A 119 13.923 -3.793 0.222 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.775 -3.739 -1.100 1.00 1.30 H new ATOM 0 HE ARG A 119 12.167 -1.409 -0.266 1.00 1.83 H new ATOM 0 HH11 ARG A 119 15.300 -2.877 0.462 1.00 2.76 H new ATOM 0 HH12 ARG A 119 16.129 -1.322 0.593 1.00 2.76 H new ATOM 0 HH21 ARG A 119 13.254 0.586 -0.124 1.00 3.41 H new ATOM 0 HH22 ARG A 119 14.977 0.627 0.263 1.00 3.41 H new ATOM 2136 N ARG A 120 10.110 -4.800 3.401 1.00 0.36 N ATOM 2137 CA ARG A 120 10.333 -4.644 4.828 1.00 0.41 C ATOM 2138 C ARG A 120 11.760 -4.177 5.074 1.00 0.46 C ATOM 2139 O ARG A 120 12.700 -4.684 4.457 1.00 0.63 O ATOM 2140 CB ARG A 120 10.081 -5.964 5.563 1.00 0.49 C ATOM 2141 CG ARG A 120 10.265 -5.871 7.070 1.00 1.06 C ATOM 2142 CD ARG A 120 9.064 -5.243 7.760 1.00 0.97 C ATOM 2143 NE ARG A 120 9.296 -5.094 9.196 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.360 -5.238 10.136 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.124 -5.600 9.810 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.676 -5.058 11.411 1.00 1.96 N ATOM 0 H ARG A 120 10.415 -5.693 3.013 1.00 0.36 H new ATOM 0 HA ARG A 120 9.636 -3.899 5.211 1.00 0.41 H new ATOM 0 HB2 ARG A 120 9.066 -6.300 5.350 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.757 -6.723 5.170 1.00 0.49 H new ATOM 0 HG2 ARG A 120 10.434 -6.869 7.476 1.00 1.06 H new ATOM 0 HG3 ARG A 120 11.156 -5.283 7.289 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.857 -4.268 7.319 1.00 0.97 H new ATOM 0 HD3 ARG A 120 8.182 -5.861 7.594 1.00 0.97 H new ATOM 0 HE ARG A 120 10.242 -4.863 9.501 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.883 -5.771 8.834 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.416 -5.707 10.536 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.631 -4.811 11.670 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.964 -5.167 12.133 1.00 1.96 H new ATOM 2160 N ASP A 121 11.920 -3.201 5.954 1.00 0.49 N ATOM 2161 CA ASP A 121 13.241 -2.736 6.336 1.00 0.59 C ATOM 2162 C ASP A 121 13.344 -2.660 7.849 1.00 0.66 C ATOM 2163 O ASP A 121 13.079 -1.623 8.459 1.00 1.08 O ATOM 2164 CB ASP A 121 13.556 -1.378 5.707 1.00 0.67 C ATOM 2165 CG ASP A 121 15.008 -0.988 5.902 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.888 -1.592 5.257 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.273 -0.060 6.696 1.00 0.88 O ATOM 0 H ASP A 121 11.151 -2.717 6.416 1.00 0.49 H new ATOM 0 HA ASP A 121 13.976 -3.450 5.964 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.329 -1.410 4.641 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.913 -0.616 6.147 1.00 0.67 H new ATOM 2172 N GLY A 122 13.696 -3.786 8.450 1.00 0.73 N ATOM 2173 CA GLY A 122 13.844 -3.847 9.884 1.00 0.83 C ATOM 2174 C GLY A 122 12.518 -3.743 10.602 1.00 0.78 C ATOM 2175 O GLY A 122 11.670 -4.630 10.493 1.00 0.92 O ATOM 0 H GLY A 122 13.882 -4.663 7.964 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.330 -4.783 10.157 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.498 -3.040 10.214 1.00 0.83 H new ATOM 2179 N ASP A 123 12.318 -2.644 11.310 1.00 0.70 N ATOM 2180 CA ASP A 123 11.106 -2.450 12.091 1.00 0.78 C ATOM 2181 C ASP A 123 10.084 -1.634 11.316 1.00 0.64 C ATOM 2182 O ASP A 123 9.018 -1.308 11.837 1.00 0.75 O ATOM 2183 CB ASP A 123 11.421 -1.760 13.423 1.00 0.98 C ATOM 2184 CG ASP A 123 12.292 -2.609 14.328 1.00 1.67 C ATOM 2185 OD1 ASP A 123 11.748 -3.458 15.064 1.00 2.17 O ATOM 2186 OD2 ASP A 123 13.528 -2.434 14.303 1.00 2.31 O ATOM 0 H ASP A 123 12.981 -1.870 11.361 1.00 0.70 H new ATOM 0 HA ASP A 123 10.684 -3.434 12.296 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.922 -0.812 13.227 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.488 -1.527 13.937 1.00 0.98 H new ATOM 2191 N TYR A 124 10.404 -1.298 10.073 1.00 0.48 N ATOM 2192 CA TYR A 124 9.508 -0.491 9.261 1.00 0.36 C ATOM 2193 C TYR A 124 9.080 -1.227 8.001 1.00 0.33 C ATOM 2194 O TYR A 124 9.851 -1.994 7.416 1.00 0.39 O ATOM 2195 CB TYR A 124 10.172 0.833 8.884 1.00 0.32 C ATOM 2196 CG TYR A 124 10.548 1.677 10.078 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.848 1.688 10.565 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.602 2.468 10.712 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.195 2.463 11.655 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.941 3.247 11.798 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.243 3.219 12.282 1.00 0.56 C ATOM 2202 OH TYR A 124 11.578 4.014 13.355 1.00 0.67 O ATOM 0 H TYR A 124 11.271 -1.570 9.609 1.00 0.48 H new ATOM 0 HA TYR A 124 8.618 -0.291 9.858 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.067 0.628 8.297 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.496 1.401 8.245 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.601 1.081 10.084 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.585 2.474 10.350 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.215 2.472 12.011 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.199 3.875 12.269 1.00 0.58 H new ATOM 0 HH TYR A 124 10.780 4.482 13.677 1.00 0.67 H new ATOM 2212 N LEU A 125 7.842 -0.996 7.603 1.00 0.30 N ATOM 2213 CA LEU A 125 7.320 -1.480 6.344 1.00 0.30 C ATOM 2214 C LEU A 125 7.438 -0.339 5.340 1.00 0.27 C ATOM 2215 O LEU A 125 6.972 0.769 5.597 1.00 0.31 O ATOM 2216 CB LEU A 125 5.858 -1.935 6.546 1.00 0.36 C ATOM 2217 CG LEU A 125 5.133 -2.597 5.356 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.535 -1.556 4.422 1.00 1.03 C ATOM 2219 CD2 LEU A 125 6.068 -3.521 4.590 1.00 0.88 C ATOM 0 H LEU A 125 7.167 -0.462 8.151 1.00 0.30 H new ATOM 0 HA LEU A 125 7.875 -2.341 5.970 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.839 -2.636 7.380 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.276 -1.064 6.848 1.00 0.36 H new ATOM 0 HG LEU A 125 4.318 -3.194 5.764 1.00 0.44 H new ATOM 0 HD11 LEU A 125 4.032 -2.056 3.595 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.816 -0.947 4.969 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.328 -0.918 4.032 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.530 -3.974 3.757 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.913 -2.948 4.208 1.00 0.88 H new ATOM 0 HD23 LEU A 125 6.432 -4.304 5.256 1.00 0.88 H new ATOM 2231 N VAL A 126 8.075 -0.594 4.216 1.00 0.29 N ATOM 2232 CA VAL A 126 8.417 0.468 3.290 1.00 0.34 C ATOM 2233 C VAL A 126 7.703 0.274 1.966 1.00 0.36 C ATOM 2234 O VAL A 126 7.768 -0.794 1.355 1.00 0.43 O ATOM 2235 CB VAL A 126 9.940 0.545 3.040 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.277 1.695 2.097 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.691 0.692 4.357 1.00 0.47 C ATOM 0 H VAL A 126 8.367 -1.526 3.921 1.00 0.29 H new ATOM 0 HA VAL A 126 8.095 1.404 3.747 1.00 0.34 H new ATOM 0 HB VAL A 126 10.255 -0.385 2.566 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.354 1.730 1.936 1.00 0.46 H new ATOM 0 HG12 VAL A 126 9.772 1.543 1.143 1.00 0.46 H new ATOM 0 HG13 VAL A 126 9.946 2.636 2.537 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.762 0.745 4.161 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.369 1.604 4.860 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.480 -0.167 4.994 1.00 0.47 H new ATOM 2247 N MET A 127 7.016 1.310 1.537 1.00 0.38 N ATOM 2248 CA MET A 127 6.328 1.293 0.263 1.00 0.46 C ATOM 2249 C MET A 127 7.168 1.975 -0.799 1.00 0.33 C ATOM 2250 O MET A 127 7.844 2.968 -0.528 1.00 0.33 O ATOM 2251 CB MET A 127 4.976 1.991 0.377 1.00 0.65 C ATOM 2252 CG MET A 127 4.463 2.544 -0.945 1.00 0.87 C ATOM 2253 SD MET A 127 2.832 3.278 -0.808 1.00 1.08 S ATOM 2254 CE MET A 127 1.868 1.813 -0.498 1.00 0.66 C ATOM 0 H MET A 127 6.918 2.182 2.056 1.00 0.38 H new ATOM 0 HA MET A 127 6.166 0.254 -0.024 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.245 1.287 0.775 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.057 2.807 1.096 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.163 3.293 -1.316 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.434 1.742 -1.682 1.00 0.87 H new ATOM 0 HE1 MET A 127 0.819 2.014 -0.717 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.223 1.002 -1.135 1.00 0.66 H new ATOM 0 HE3 MET A 127 1.971 1.524 0.548 1.00 0.66 H new ATOM 2264 N LYS A 128 7.115 1.443 -2.004 1.00 0.33 N ATOM 2265 CA LYS A 128 7.772 2.060 -3.134 1.00 0.35 C ATOM 2266 C LYS A 128 6.736 2.417 -4.184 1.00 0.35 C ATOM 2267 O LYS A 128 5.921 1.576 -4.573 1.00 0.44 O ATOM 2268 CB LYS A 128 8.822 1.123 -3.736 1.00 0.55 C ATOM 2269 CG LYS A 128 9.492 1.672 -4.988 1.00 0.82 C ATOM 2270 CD LYS A 128 10.414 2.844 -4.680 1.00 0.99 C ATOM 2271 CE LYS A 128 11.680 2.394 -3.970 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.435 1.387 -4.765 1.00 2.20 N ATOM 0 H LYS A 128 6.620 0.579 -2.224 1.00 0.33 H new ATOM 0 HA LYS A 128 8.279 2.963 -2.793 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.586 0.920 -2.986 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.350 0.170 -3.976 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.064 0.879 -5.470 1.00 0.82 H new ATOM 0 HG3 LYS A 128 8.728 1.990 -5.697 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.678 3.352 -5.607 1.00 0.99 H new ATOM 0 HD3 LYS A 128 9.887 3.568 -4.059 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.317 3.258 -3.781 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.421 1.970 -3.000 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.450 1.610 -4.733 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 12.276 0.440 -4.366 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.107 1.407 -5.752 1.00 2.20 H new ATOM 2286 N MET A 129 6.746 3.673 -4.591 1.00 0.36 N ATOM 2287 CA MET A 129 5.907 4.151 -5.681 1.00 0.41 C ATOM 2288 C MET A 129 6.799 4.883 -6.667 1.00 0.35 C ATOM 2289 O MET A 129 7.664 5.652 -6.251 1.00 0.40 O ATOM 2290 CB MET A 129 4.822 5.098 -5.154 1.00 0.49 C ATOM 2291 CG MET A 129 3.988 4.513 -4.026 1.00 1.02 C ATOM 2292 SD MET A 129 3.069 5.768 -3.108 1.00 1.11 S ATOM 2293 CE MET A 129 1.939 6.361 -4.362 1.00 0.50 C ATOM 0 H MET A 129 7.336 4.394 -4.176 1.00 0.36 H new ATOM 0 HA MET A 129 5.409 3.310 -6.164 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.294 6.017 -4.805 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.161 5.371 -5.977 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.288 3.786 -4.438 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.641 3.974 -3.340 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.002 7.447 -4.424 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.205 5.927 -5.326 1.00 0.50 H new ATOM 0 HE3 MET A 129 0.921 6.071 -4.101 1.00 0.50 H new ATOM 2303 N SER A 130 6.626 4.640 -7.952 1.00 0.34 N ATOM 2304 CA SER A 130 7.489 5.258 -8.945 1.00 0.33 C ATOM 2305 C SER A 130 6.747 5.557 -10.234 1.00 0.33 C ATOM 2306 O SER A 130 6.180 4.664 -10.867 1.00 0.38 O ATOM 2307 CB SER A 130 8.698 4.368 -9.218 1.00 0.39 C ATOM 2308 OG SER A 130 8.326 3.001 -9.271 1.00 1.06 O ATOM 0 H SER A 130 5.905 4.027 -8.332 1.00 0.34 H new ATOM 0 HA SER A 130 7.830 6.211 -8.539 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.161 4.658 -10.161 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.445 4.515 -8.437 1.00 0.39 H new ATOM 0 HG SER A 130 9.119 2.453 -9.449 1.00 1.06 H new ATOM 2314 N TRP A 131 6.766 6.821 -10.610 1.00 0.32 N ATOM 2315 CA TRP A 131 6.117 7.272 -11.826 1.00 0.34 C ATOM 2316 C TRP A 131 6.995 8.301 -12.516 1.00 0.34 C ATOM 2317 O TRP A 131 7.514 9.215 -11.872 1.00 0.33 O ATOM 2318 CB TRP A 131 4.740 7.860 -11.507 1.00 0.36 C ATOM 2319 CG TRP A 131 3.896 8.103 -12.715 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.642 9.302 -13.308 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.191 7.119 -13.476 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.823 9.127 -14.395 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.533 7.793 -14.521 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.053 5.733 -13.376 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.752 7.127 -15.462 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.277 5.073 -14.309 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.636 5.769 -15.341 1.00 0.76 C ATOM 0 H TRP A 131 7.230 7.562 -10.084 1.00 0.32 H new ATOM 0 HA TRP A 131 5.974 6.424 -12.495 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.212 7.182 -10.836 1.00 0.36 H new ATOM 0 HB3 TRP A 131 4.871 8.800 -10.972 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.029 10.253 -12.972 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.485 9.868 -15.009 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.544 5.187 -12.584 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.256 7.663 -16.258 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.163 4.001 -14.241 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.038 5.223 -16.056 1.00 0.76 H new ATOM 2338 N LYS A 132 7.175 8.123 -13.820 1.00 0.37 N ATOM 2339 CA LYS A 132 8.033 8.986 -14.627 1.00 0.40 C ATOM 2340 C LYS A 132 9.458 9.006 -14.076 1.00 0.39 C ATOM 2341 O LYS A 132 10.145 10.026 -14.137 1.00 0.42 O ATOM 2342 CB LYS A 132 7.484 10.413 -14.700 1.00 0.44 C ATOM 2343 CG LYS A 132 6.066 10.509 -15.236 1.00 0.68 C ATOM 2344 CD LYS A 132 5.959 10.005 -16.665 1.00 1.22 C ATOM 2345 CE LYS A 132 4.533 10.105 -17.180 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.399 9.571 -18.557 1.00 1.96 N ATOM 0 H LYS A 132 6.729 7.374 -14.350 1.00 0.37 H new ATOM 0 HA LYS A 132 8.049 8.573 -15.636 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.514 10.853 -13.703 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.141 11.011 -15.332 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.398 9.931 -14.597 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.732 11.546 -15.192 1.00 0.68 H new ATOM 0 HD2 LYS A 132 6.622 10.584 -17.308 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.294 8.969 -16.714 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.868 9.557 -16.513 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.214 11.147 -17.163 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.411 9.659 -18.869 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.014 10.110 -19.200 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.678 8.569 -18.570 1.00 1.96 H new ATOM 2360 N GLY A 133 9.892 7.873 -13.540 1.00 0.40 N ATOM 2361 CA GLY A 133 11.231 7.774 -12.992 1.00 0.42 C ATOM 2362 C GLY A 133 11.384 8.447 -11.639 1.00 0.40 C ATOM 2363 O GLY A 133 12.492 8.537 -11.110 1.00 0.53 O ATOM 0 H GLY A 133 9.339 7.018 -13.475 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.499 6.722 -12.898 1.00 0.42 H new ATOM 0 HA3 GLY A 133 11.936 8.221 -13.693 1.00 0.42 H new ATOM 2367 N VAL A 134 10.282 8.928 -11.082 1.00 0.35 N ATOM 2368 CA VAL A 134 10.308 9.544 -9.764 1.00 0.34 C ATOM 2369 C VAL A 134 9.779 8.570 -8.723 1.00 0.36 C ATOM 2370 O VAL A 134 8.582 8.279 -8.682 1.00 0.40 O ATOM 2371 CB VAL A 134 9.478 10.845 -9.711 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.576 11.489 -8.335 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.934 11.816 -10.789 1.00 0.43 C ATOM 0 H VAL A 134 9.362 8.904 -11.521 1.00 0.35 H new ATOM 0 HA VAL A 134 11.346 9.798 -9.549 1.00 0.34 H new ATOM 0 HB VAL A 134 8.434 10.592 -9.897 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.984 12.404 -8.319 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.197 10.798 -7.582 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.617 11.726 -8.118 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.337 12.726 -10.735 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.985 12.062 -10.636 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.807 11.357 -11.769 1.00 0.43 H new ATOM 2383 N SER A 135 10.676 8.044 -7.909 1.00 0.38 N ATOM 2384 CA SER A 135 10.312 7.110 -6.881 1.00 0.42 C ATOM 2385 C SER A 135 10.113 7.811 -5.547 1.00 0.40 C ATOM 2386 O SER A 135 10.685 8.869 -5.290 1.00 0.51 O ATOM 2387 CB SER A 135 11.405 6.065 -6.748 1.00 0.50 C ATOM 2388 OG SER A 135 11.785 5.551 -8.015 1.00 1.14 O ATOM 0 H SER A 135 11.673 8.257 -7.949 1.00 0.38 H new ATOM 0 HA SER A 135 9.370 6.637 -7.160 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.273 6.504 -6.256 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.057 5.251 -6.113 1.00 0.50 H new ATOM 0 HG SER A 135 12.491 4.882 -7.898 1.00 1.14 H new ATOM 2394 N THR A 136 9.288 7.215 -4.718 1.00 0.35 N ATOM 2395 CA THR A 136 9.075 7.685 -3.365 1.00 0.34 C ATOM 2396 C THR A 136 9.042 6.503 -2.407 1.00 0.31 C ATOM 2397 O THR A 136 8.450 5.461 -2.712 1.00 0.34 O ATOM 2398 CB THR A 136 7.766 8.503 -3.245 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.486 8.800 -1.872 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.590 7.752 -3.849 1.00 0.39 C ATOM 0 H THR A 136 8.743 6.388 -4.962 1.00 0.35 H new ATOM 0 HA THR A 136 9.903 8.344 -3.104 1.00 0.34 H new ATOM 0 HB THR A 136 7.907 9.432 -3.797 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.119 9.474 -1.547 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.685 8.352 -3.749 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.784 7.560 -4.904 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.456 6.805 -3.327 1.00 0.39 H new ATOM 2408 N SER A 137 9.708 6.652 -1.272 1.00 0.33 N ATOM 2409 CA SER A 137 9.710 5.618 -0.257 1.00 0.32 C ATOM 2410 C SER A 137 8.869 6.057 0.929 1.00 0.31 C ATOM 2411 O SER A 137 9.188 7.032 1.611 1.00 0.40 O ATOM 2412 CB SER A 137 11.139 5.306 0.182 1.00 0.39 C ATOM 2413 OG SER A 137 11.938 4.927 -0.928 1.00 0.79 O ATOM 0 H SER A 137 10.253 7.480 -1.034 1.00 0.33 H new ATOM 0 HA SER A 137 9.277 4.710 -0.676 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.574 6.180 0.667 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.130 4.504 0.920 1.00 0.39 H new ATOM 0 HG SER A 137 12.849 4.733 -0.624 1.00 0.79 H new ATOM 2419 N ARG A 138 7.781 5.346 1.154 1.00 0.35 N ATOM 2420 CA ARG A 138 6.877 5.664 2.245 1.00 0.44 C ATOM 2421 C ARG A 138 7.186 4.752 3.420 1.00 0.39 C ATOM 2422 O ARG A 138 6.996 3.538 3.334 1.00 0.43 O ATOM 2423 CB ARG A 138 5.427 5.471 1.807 1.00 0.63 C ATOM 2424 CG ARG A 138 5.171 5.811 0.345 1.00 1.08 C ATOM 2425 CD ARG A 138 5.134 7.313 0.089 1.00 0.88 C ATOM 2426 NE ARG A 138 4.062 7.985 0.829 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.763 7.662 0.752 1.00 1.07 C ATOM 2428 NH1 ARG A 138 2.350 6.713 -0.082 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.874 8.317 1.485 1.00 1.63 N ATOM 0 H ARG A 138 7.500 4.541 0.594 1.00 0.35 H new ATOM 0 HA ARG A 138 7.013 6.705 2.537 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.140 4.435 1.984 1.00 0.63 H new ATOM 0 HB3 ARG A 138 4.784 6.091 2.432 1.00 0.63 H new ATOM 0 HG2 ARG A 138 5.950 5.361 -0.270 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.224 5.370 0.034 1.00 1.08 H new ATOM 0 HD2 ARG A 138 6.093 7.749 0.369 1.00 0.88 H new ATOM 0 HD3 ARG A 138 5.002 7.493 -0.978 1.00 0.88 H new ATOM 0 HE ARG A 138 4.323 8.753 1.447 1.00 0.82 H new ATOM 0 HH11 ARG A 138 3.024 6.223 -0.671 1.00 1.84 H new ATOM 0 HH12 ARG A 138 1.360 6.475 -0.133 1.00 1.84 H new ATOM 0 HH21 ARG A 138 2.178 9.066 2.107 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.886 8.072 1.427 1.00 1.63 H new ATOM 2443 N TYR A 139 7.676 5.329 4.503 1.00 0.39 N ATOM 2444 CA TYR A 139 8.112 4.540 5.645 1.00 0.36 C ATOM 2445 C TYR A 139 7.000 4.402 6.670 1.00 0.34 C ATOM 2446 O TYR A 139 6.598 5.376 7.308 1.00 0.39 O ATOM 2447 CB TYR A 139 9.345 5.171 6.285 1.00 0.42 C ATOM 2448 CG TYR A 139 10.548 5.174 5.374 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.755 6.208 4.471 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.480 4.148 5.421 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.858 6.218 3.641 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.585 4.152 4.596 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.752 5.172 3.685 1.00 0.56 C ATOM 2454 OH TYR A 139 13.870 5.195 2.878 1.00 0.64 O ATOM 0 H TYR A 139 7.782 6.337 4.617 1.00 0.39 H new ATOM 0 HA TYR A 139 8.370 3.543 5.288 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.113 6.196 6.574 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.590 4.630 7.199 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.042 7.017 4.417 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.338 3.333 6.115 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.019 7.042 2.961 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.316 3.360 4.664 1.00 0.56 H new ATOM 0 HH TYR A 139 14.400 4.384 3.029 1.00 0.64 H new ATOM 2464 N TYR A 140 6.513 3.186 6.819 1.00 0.29 N ATOM 2465 CA TYR A 140 5.479 2.895 7.789 1.00 0.27 C ATOM 2466 C TYR A 140 6.077 2.156 8.971 1.00 0.29 C ATOM 2467 O TYR A 140 6.802 1.181 8.800 1.00 0.37 O ATOM 2468 CB TYR A 140 4.373 2.031 7.175 1.00 0.27 C ATOM 2469 CG TYR A 140 3.741 2.605 5.928 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.809 3.629 6.006 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.063 2.105 4.674 1.00 0.45 C ATOM 2472 CE1 TYR A 140 2.217 4.140 4.871 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.476 2.614 3.533 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.554 3.631 3.637 1.00 0.48 C ATOM 2475 OH TYR A 140 1.952 4.127 2.503 1.00 0.60 O ATOM 0 H TYR A 140 6.820 2.379 6.276 1.00 0.29 H new ATOM 0 HA TYR A 140 5.048 3.842 8.114 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.786 1.051 6.938 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.595 1.877 7.922 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.543 4.033 6.972 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.784 1.305 4.590 1.00 0.45 H new ATOM 0 HE1 TYR A 140 1.492 4.936 4.949 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.739 2.216 2.564 1.00 0.52 H new ATOM 0 HH TYR A 140 2.388 3.750 1.710 1.00 0.60 H new ATOM 2485 N LYS A 141 5.777 2.618 10.163 1.00 0.37 N ATOM 2486 CA LYS A 141 6.146 1.891 11.352 1.00 0.48 C ATOM 2487 C LYS A 141 4.930 1.112 11.794 1.00 0.45 C ATOM 2488 O LYS A 141 3.849 1.375 11.303 1.00 0.54 O ATOM 2489 CB LYS A 141 6.602 2.825 12.459 1.00 0.69 C ATOM 2490 CG LYS A 141 5.476 3.586 13.117 1.00 0.72 C ATOM 2491 CD LYS A 141 5.783 3.812 14.576 1.00 0.97 C ATOM 2492 CE LYS A 141 5.763 2.512 15.364 1.00 1.45 C ATOM 2493 NZ LYS A 141 5.949 2.738 16.821 1.00 1.92 N ATOM 0 H LYS A 141 5.280 3.492 10.333 1.00 0.37 H new ATOM 0 HA LYS A 141 6.983 1.227 11.135 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.128 2.245 13.217 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.318 3.537 12.049 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.332 4.543 12.616 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.544 3.030 13.016 1.00 0.72 H new ATOM 0 HD2 LYS A 141 6.762 4.281 14.673 1.00 0.97 H new ATOM 0 HD3 LYS A 141 5.054 4.504 14.998 1.00 0.97 H new ATOM 0 HE2 LYS A 141 4.815 2.001 15.195 1.00 1.45 H new ATOM 0 HE3 LYS A 141 6.550 1.854 14.996 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 5.929 1.825 17.319 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 6.865 3.202 16.986 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 5.184 3.345 17.179 1.00 1.92 H new ATOM 2507 N LYS A 142 5.094 0.141 12.664 1.00 0.44 N ATOM 2508 CA LYS A 142 3.946 -0.550 13.250 1.00 0.43 C ATOM 2509 C LYS A 142 2.960 0.452 13.897 1.00 0.36 C ATOM 2510 O LYS A 142 3.176 1.663 13.886 1.00 0.34 O ATOM 2511 CB LYS A 142 4.453 -1.551 14.297 1.00 0.54 C ATOM 2512 CG LYS A 142 3.439 -2.609 14.708 1.00 0.87 C ATOM 2513 CD LYS A 142 3.151 -3.582 13.579 1.00 1.30 C ATOM 2514 CE LYS A 142 2.215 -4.695 14.024 1.00 1.43 C ATOM 2515 NZ LYS A 142 2.791 -5.507 15.129 1.00 2.13 N ATOM 0 H LYS A 142 6.002 -0.194 12.986 1.00 0.44 H new ATOM 0 HA LYS A 142 3.408 -1.077 12.462 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.339 -2.050 13.904 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.764 -1.001 15.185 1.00 0.54 H new ATOM 0 HG2 LYS A 142 3.815 -3.156 15.573 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.512 -2.124 15.016 1.00 0.87 H new ATOM 0 HD2 LYS A 142 2.707 -3.046 12.740 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.086 -4.013 13.222 1.00 1.30 H new ATOM 0 HE2 LYS A 142 1.268 -4.263 14.349 1.00 1.43 H new ATOM 0 HE3 LYS A 142 1.995 -5.343 13.176 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.273 -6.405 15.207 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 3.793 -5.702 14.931 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 2.711 -4.983 16.024 1.00 2.13 H new ATOM 2529 N GLN A 143 1.808 -0.033 14.313 1.00 0.44 N ATOM 2530 CA GLN A 143 1.026 0.670 15.316 1.00 0.53 C ATOM 2531 C GLN A 143 1.582 0.377 16.702 1.00 0.68 C ATOM 2532 O GLN A 143 1.208 -0.659 17.288 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.443 0.254 15.242 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.201 0.866 14.085 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.528 2.324 14.310 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.679 2.778 15.444 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -1.661 3.060 13.227 1.00 1.28 N ATOM 2538 OXT GLN A 143 2.409 1.170 17.193 1.00 1.19 O ATOM 0 H GLN A 143 1.393 -0.902 13.978 1.00 0.44 H new ATOM 0 HA GLN A 143 1.091 1.741 15.122 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.498 -0.832 15.165 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.936 0.533 16.173 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.609 0.767 13.175 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.125 0.310 13.927 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -1.527 2.642 12.306 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -1.898 4.049 13.308 1.00 1.28 H new