USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 757 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 47 CYS SG : rot -152:sc= -0.787! USER MOD Set 1.2: A 49 HIS : no HE2:sc= -3.02! C(o=-6.8!,f=-13!) USER MOD Set 1.3: A 50 CYS SG : rot -80:sc= -3! USER MOD Set 2.1: A 28 ASN : amide:sc= -2.66 X(o=-5,f=-5.1!) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.39 K(o=-5,f=-2.9) USER MOD Set 3.1: A 23 THR OG1 : rot -101:sc= 1.14 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.808 K(o=0.33,f=-4.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -146:sc= 1.59 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.584! K(o=-0.58!,f=-1.3) USER MOD Single : A 54 THR OG1 : rot 96:sc= 1.07 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.188) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= 0.0103 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -8.56! C(o=-8.6!,f=-20!) USER MOD Single : A 77 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.484) USER MOD Single : A 78 HIS : no HD1:sc= -8.1! C(o=-8.1!,f=-6.5!) USER MOD Single : A 79 GLN : amide:sc= 0.86 K(o=0.86,f=-0.013) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 62:sc= 0.993 USER MOD Single : A 88 GLN : amide:sc= -6.75! C(o=-6.7!,f=-7!) USER MOD Single : A 92 THR OG1 : rot 29:sc= -0.36 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -2.97! C(o=-3!,f=-2.7!) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0.984 (180deg=0.568) USER MOD Single : A 101 ASN : amide:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.581 2.763 -11.754 1.00 0.00 N ATOM 196 CA ASP A 18 7.358 1.327 -11.631 1.00 0.00 C ATOM 197 C ASP A 18 6.153 1.038 -10.741 1.00 0.00 C ATOM 198 O ASP A 18 5.553 -0.034 -10.819 1.00 0.00 O ATOM 199 CB ASP A 18 8.603 0.643 -11.063 1.00 0.00 C ATOM 200 CG ASP A 18 9.862 1.005 -11.827 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.278 2.180 -11.761 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.430 0.113 -12.491 1.00 0.00 O ATOM 0 HA ASP A 18 7.156 0.929 -12.625 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.723 0.924 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.464 -0.438 -11.089 1.00 0.00 H new ATOM 207 N VAL A 19 5.805 2.002 -9.894 1.00 0.00 N ATOM 208 CA VAL A 19 4.672 1.851 -8.989 1.00 0.00 C ATOM 209 C VAL A 19 3.355 1.818 -9.758 1.00 0.00 C ATOM 210 O VAL A 19 3.127 2.632 -10.654 1.00 0.00 O ATOM 211 CB VAL A 19 4.622 2.993 -7.957 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.377 2.877 -7.091 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.880 2.992 -7.101 1.00 0.00 C ATOM 0 H VAL A 19 6.291 2.895 -9.816 1.00 0.00 H new ATOM 0 HA VAL A 19 4.808 0.904 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 19 4.575 3.941 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.359 3.693 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.489 2.931 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.389 1.924 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.828 3.805 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.961 2.041 -6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.754 3.129 -7.738 1.00 0.00 H new ATOM 223 N ILE A 20 2.492 0.873 -9.401 1.00 0.00 N ATOM 224 CA ILE A 20 1.197 0.735 -10.056 1.00 0.00 C ATOM 225 C ILE A 20 0.135 1.576 -9.357 1.00 0.00 C ATOM 226 O ILE A 20 -0.114 1.411 -8.163 1.00 0.00 O ATOM 227 CB ILE A 20 0.735 -0.734 -10.086 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.670 -1.568 -10.965 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.697 -0.829 -10.589 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.620 -3.049 -10.665 1.00 0.00 C ATOM 0 H ILE A 20 2.666 0.192 -8.662 1.00 0.00 H new ATOM 0 HA ILE A 20 1.322 1.089 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 20 0.770 -1.131 -9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.410 -1.409 -12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.692 -1.213 -10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.009 -1.873 -10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.353 -0.264 -9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.757 -0.418 -11.597 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.308 -3.577 -11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.909 -3.220 -9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.607 -3.419 -10.825 1.00 0.00 H new ATOM 242 N GLU A 21 -0.489 2.476 -10.110 1.00 0.00 N ATOM 243 CA GLU A 21 -1.526 3.343 -9.561 1.00 0.00 C ATOM 244 C GLU A 21 -2.759 2.534 -9.167 1.00 0.00 C ATOM 245 O GLU A 21 -3.575 2.171 -10.015 1.00 0.00 O ATOM 246 CB GLU A 21 -1.913 4.419 -10.578 1.00 0.00 C ATOM 247 CG GLU A 21 -2.466 5.684 -9.944 1.00 0.00 C ATOM 248 CD GLU A 21 -3.141 6.595 -10.952 1.00 0.00 C ATOM 249 OE1 GLU A 21 -2.721 6.590 -12.128 1.00 0.00 O ATOM 250 OE2 GLU A 21 -4.087 7.312 -10.565 1.00 0.00 O ATOM 0 H GLU A 21 -0.295 2.624 -11.100 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.127 3.824 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.038 4.675 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.657 4.010 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.182 5.414 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.656 6.226 -9.456 1.00 0.00 H new ATOM 257 N LEU A 22 -2.886 2.254 -7.875 1.00 0.00 N ATOM 258 CA LEU A 22 -4.019 1.487 -7.366 1.00 0.00 C ATOM 259 C LEU A 22 -5.213 2.395 -7.094 1.00 0.00 C ATOM 260 O LEU A 22 -5.073 3.459 -6.488 1.00 0.00 O ATOM 261 CB LEU A 22 -3.625 0.746 -6.088 1.00 0.00 C ATOM 262 CG LEU A 22 -2.733 -0.483 -6.271 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.413 -1.116 -4.926 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.401 -1.493 -7.193 1.00 0.00 C ATOM 0 H LEU A 22 -2.219 2.546 -7.160 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.305 0.760 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.113 1.447 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.536 0.436 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.797 -0.164 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.778 -1.989 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.893 -0.393 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.339 -1.421 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.753 -2.361 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.352 -1.806 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.578 -1.036 -8.167 1.00 0.00 H new ATOM 276 N THR A 23 -6.389 1.969 -7.543 1.00 0.00 N ATOM 277 CA THR A 23 -7.609 2.743 -7.348 1.00 0.00 C ATOM 278 C THR A 23 -8.751 1.856 -6.865 1.00 0.00 C ATOM 279 O THR A 23 -8.715 0.632 -6.993 1.00 0.00 O ATOM 280 CB THR A 23 -8.038 3.453 -8.645 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.021 2.669 -9.330 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.842 3.684 -9.557 1.00 0.00 C ATOM 0 H THR A 23 -6.523 1.091 -8.045 1.00 0.00 H new ATOM 0 HA THR A 23 -7.389 3.493 -6.589 1.00 0.00 H new ATOM 0 HB THR A 23 -8.465 4.420 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.597 2.185 -10.069 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.170 4.187 -10.467 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.108 4.305 -9.044 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.390 2.726 -9.815 1.00 0.00 H new ATOM 290 N PRO A 24 -9.790 2.486 -6.297 1.00 0.00 N ATOM 291 CA PRO A 24 -10.964 1.772 -5.785 1.00 0.00 C ATOM 292 C PRO A 24 -11.811 1.173 -6.903 1.00 0.00 C ATOM 293 O PRO A 24 -12.983 0.853 -6.703 1.00 0.00 O ATOM 294 CB PRO A 24 -11.746 2.861 -5.046 1.00 0.00 C ATOM 295 CG PRO A 24 -11.334 4.134 -5.700 1.00 0.00 C ATOM 296 CD PRO A 24 -9.900 3.942 -6.112 1.00 0.00 C ATOM 0 HA PRO A 24 -10.685 0.927 -5.156 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.821 2.703 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.507 2.867 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.963 4.350 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.434 4.975 -5.014 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.670 4.482 -7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.211 4.303 -5.349 1.00 0.00 H new ATOM 304 N SER A 25 -11.211 1.024 -8.079 1.00 0.00 N ATOM 305 CA SER A 25 -11.912 0.466 -9.230 1.00 0.00 C ATOM 306 C SER A 25 -11.169 -0.747 -9.783 1.00 0.00 C ATOM 307 O SER A 25 -11.751 -1.584 -10.472 1.00 0.00 O ATOM 308 CB SER A 25 -12.067 1.525 -10.322 1.00 0.00 C ATOM 309 OG SER A 25 -13.224 2.315 -10.106 1.00 0.00 O ATOM 0 H SER A 25 -10.241 1.282 -8.260 1.00 0.00 H new ATOM 0 HA SER A 25 -12.901 0.146 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.184 2.164 -10.341 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.130 1.041 -11.296 1.00 0.00 H new ATOM 0 HG SER A 25 -13.300 2.986 -10.817 1.00 0.00 H new ATOM 315 N ASN A 26 -9.879 -0.833 -9.475 1.00 0.00 N ATOM 316 CA ASN A 26 -9.055 -1.942 -9.942 1.00 0.00 C ATOM 317 C ASN A 26 -8.347 -2.623 -8.774 1.00 0.00 C ATOM 318 O ASN A 26 -7.921 -3.773 -8.878 1.00 0.00 O ATOM 319 CB ASN A 26 -8.024 -1.446 -10.958 1.00 0.00 C ATOM 320 CG ASN A 26 -7.549 -0.037 -10.660 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.270 0.934 -10.891 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.331 0.080 -10.144 1.00 0.00 N ATOM 0 H ASN A 26 -9.382 -0.149 -8.905 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.708 -2.670 -10.423 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.168 -2.121 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.459 -1.476 -11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.958 1.003 -9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.769 -0.753 -9.969 1.00 0.00 H new ATOM 329 N PHE A 27 -8.227 -1.904 -7.662 1.00 0.00 N ATOM 330 CA PHE A 27 -7.571 -2.438 -6.474 1.00 0.00 C ATOM 331 C PHE A 27 -7.859 -3.928 -6.317 1.00 0.00 C ATOM 332 O PHE A 27 -7.005 -4.693 -5.871 1.00 0.00 O ATOM 333 CB PHE A 27 -8.034 -1.683 -5.227 1.00 0.00 C ATOM 334 CG PHE A 27 -7.241 -2.016 -3.996 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.292 -3.286 -3.445 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.446 -1.058 -3.388 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.564 -3.596 -2.312 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.714 -1.361 -2.256 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.774 -2.632 -1.716 1.00 0.00 C ATOM 0 H PHE A 27 -8.575 -0.951 -7.559 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.496 -2.305 -6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.966 -0.611 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.085 -1.908 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.908 -4.043 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.398 -0.062 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.613 -4.590 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.096 -0.606 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.204 -2.871 -0.830 1.00 0.00 H new ATOM 349 N ASN A 28 -9.070 -4.333 -6.687 1.00 0.00 N ATOM 350 CA ASN A 28 -9.473 -5.731 -6.587 1.00 0.00 C ATOM 351 C ASN A 28 -8.942 -6.536 -7.769 1.00 0.00 C ATOM 352 O ASN A 28 -8.461 -7.657 -7.604 1.00 0.00 O ATOM 353 CB ASN A 28 -10.997 -5.841 -6.523 1.00 0.00 C ATOM 354 CG ASN A 28 -11.461 -7.227 -6.118 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.727 -7.486 -4.944 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.559 -8.126 -7.090 1.00 0.00 N ATOM 0 H ASN A 28 -9.789 -3.713 -7.059 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.048 -6.141 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.382 -5.110 -5.812 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.418 -5.590 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.865 -9.075 -6.878 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.328 -7.867 -8.049 1.00 0.00 H new ATOM 363 N ARG A 29 -9.033 -5.956 -8.961 1.00 0.00 N ATOM 364 CA ARG A 29 -8.563 -6.620 -10.172 1.00 0.00 C ATOM 365 C ARG A 29 -7.047 -6.504 -10.301 1.00 0.00 C ATOM 366 O ARG A 29 -6.446 -7.092 -11.199 1.00 0.00 O ATOM 367 CB ARG A 29 -9.239 -6.016 -11.405 1.00 0.00 C ATOM 368 CG ARG A 29 -10.599 -6.622 -11.711 1.00 0.00 C ATOM 369 CD ARG A 29 -11.700 -5.957 -10.900 1.00 0.00 C ATOM 370 NE ARG A 29 -12.944 -6.722 -10.936 1.00 0.00 N ATOM 371 CZ ARG A 29 -14.136 -6.200 -10.668 1.00 0.00 C ATOM 372 NH1 ARG A 29 -14.244 -4.919 -10.345 1.00 0.00 N ATOM 373 NH2 ARG A 29 -15.222 -6.960 -10.722 1.00 0.00 N ATOM 0 H ARG A 29 -9.428 -5.028 -9.115 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.825 -7.676 -10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.354 -4.942 -11.257 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.588 -6.151 -12.269 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.815 -6.517 -12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.580 -7.690 -11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.372 -5.846 -9.866 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.880 -4.954 -11.287 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.895 -7.711 -11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.411 -4.332 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.160 -4.520 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.142 -7.946 -10.969 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.137 -6.558 -10.516 1.00 0.00 H new ATOM 387 N GLU A 30 -6.438 -5.741 -9.399 1.00 0.00 N ATOM 388 CA GLU A 30 -4.992 -5.548 -9.415 1.00 0.00 C ATOM 389 C GLU A 30 -4.330 -6.305 -8.267 1.00 0.00 C ATOM 390 O GLU A 30 -3.356 -7.030 -8.467 1.00 0.00 O ATOM 391 CB GLU A 30 -4.654 -4.059 -9.321 1.00 0.00 C ATOM 392 CG GLU A 30 -4.541 -3.374 -10.673 1.00 0.00 C ATOM 393 CD GLU A 30 -3.265 -3.740 -11.407 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.265 -4.062 -10.732 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.267 -3.704 -12.655 1.00 0.00 O ATOM 0 H GLU A 30 -6.922 -5.247 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.608 -5.942 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.422 -3.557 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.713 -3.942 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.400 -3.646 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.578 -2.294 -10.533 1.00 0.00 H new ATOM 402 N VAL A 31 -4.866 -6.130 -7.063 1.00 0.00 N ATOM 403 CA VAL A 31 -4.329 -6.795 -5.882 1.00 0.00 C ATOM 404 C VAL A 31 -5.140 -8.039 -5.536 1.00 0.00 C ATOM 405 O VAL A 31 -4.635 -9.160 -5.603 1.00 0.00 O ATOM 406 CB VAL A 31 -4.311 -5.852 -4.665 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.770 -6.571 -3.439 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.490 -4.607 -4.969 1.00 0.00 C ATOM 0 H VAL A 31 -5.672 -5.533 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.306 -7.086 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.334 -5.542 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.765 -5.888 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.403 -7.429 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.754 -6.912 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.488 -3.951 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.467 -4.896 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.927 -4.081 -5.818 1.00 0.00 H new ATOM 418 N ILE A 32 -6.399 -7.833 -5.165 1.00 0.00 N ATOM 419 CA ILE A 32 -7.281 -8.938 -4.810 1.00 0.00 C ATOM 420 C ILE A 32 -7.244 -10.034 -5.869 1.00 0.00 C ATOM 421 O ILE A 32 -7.344 -11.219 -5.553 1.00 0.00 O ATOM 422 CB ILE A 32 -8.735 -8.462 -4.630 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.798 -7.319 -3.616 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.619 -9.619 -4.188 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.362 -7.720 -2.224 1.00 0.00 C ATOM 0 H ILE A 32 -6.831 -6.911 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.919 -9.339 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.103 -8.094 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.167 -6.501 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.819 -6.939 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.643 -9.268 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.593 -10.405 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.254 -10.014 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.433 -6.860 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.008 -8.517 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.331 -8.073 -2.253 1.00 0.00 H new ATOM 437 N GLN A 33 -7.097 -9.629 -7.127 1.00 0.00 N ATOM 438 CA GLN A 33 -7.045 -10.577 -8.233 1.00 0.00 C ATOM 439 C GLN A 33 -5.602 -10.919 -8.590 1.00 0.00 C ATOM 440 O GLN A 33 -5.291 -11.215 -9.744 1.00 0.00 O ATOM 441 CB GLN A 33 -7.764 -10.006 -9.457 1.00 0.00 C ATOM 442 CG GLN A 33 -9.278 -9.990 -9.321 1.00 0.00 C ATOM 443 CD GLN A 33 -9.797 -11.112 -8.443 1.00 0.00 C ATOM 444 OE1 GLN A 33 -9.900 -12.259 -8.878 1.00 0.00 O ATOM 445 NE2 GLN A 33 -10.126 -10.786 -7.198 1.00 0.00 N ATOM 0 H GLN A 33 -7.012 -8.651 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.549 -11.491 -7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.413 -8.989 -9.633 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.493 -10.593 -10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.591 -9.033 -8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.729 -10.070 -10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.024 -9.822 -6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.480 -11.499 -6.561 1.00 0.00 H new ATOM 454 N SER A 34 -4.725 -10.877 -7.592 1.00 0.00 N ATOM 455 CA SER A 34 -3.314 -11.178 -7.801 1.00 0.00 C ATOM 456 C SER A 34 -2.811 -12.175 -6.761 1.00 0.00 C ATOM 457 O SER A 34 -2.418 -11.793 -5.659 1.00 0.00 O ATOM 458 CB SER A 34 -2.482 -9.896 -7.740 1.00 0.00 C ATOM 459 OG SER A 34 -1.102 -10.175 -7.898 1.00 0.00 O ATOM 0 H SER A 34 -4.967 -10.637 -6.631 1.00 0.00 H new ATOM 0 HA SER A 34 -3.206 -11.625 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.809 -9.209 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.648 -9.396 -6.786 1.00 0.00 H new ATOM 0 HG SER A 34 -0.577 -9.547 -7.358 1.00 0.00 H new ATOM 465 N ASP A 35 -2.827 -13.454 -7.120 1.00 0.00 N ATOM 466 CA ASP A 35 -2.372 -14.506 -6.220 1.00 0.00 C ATOM 467 C ASP A 35 -0.976 -14.200 -5.687 1.00 0.00 C ATOM 468 O ASP A 35 -0.553 -14.751 -4.671 1.00 0.00 O ATOM 469 CB ASP A 35 -2.373 -15.857 -6.938 1.00 0.00 C ATOM 470 CG ASP A 35 -2.089 -17.012 -5.998 1.00 0.00 C ATOM 471 OD1 ASP A 35 -2.978 -17.352 -5.190 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.978 -17.577 -6.072 1.00 0.00 O ATOM 0 H ASP A 35 -3.150 -13.787 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.061 -14.551 -5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.341 -16.011 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.625 -15.845 -7.730 1.00 0.00 H new ATOM 477 N GLY A 36 -0.263 -13.318 -6.382 1.00 0.00 N ATOM 478 CA GLY A 36 1.078 -12.955 -5.964 1.00 0.00 C ATOM 479 C GLY A 36 1.080 -11.969 -4.812 1.00 0.00 C ATOM 480 O GLY A 36 0.037 -11.698 -4.215 1.00 0.00 O ATOM 0 H GLY A 36 -0.591 -12.849 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.619 -13.854 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.614 -12.523 -6.809 1.00 0.00 H new ATOM 484 N LEU A 37 2.254 -11.432 -4.497 1.00 0.00 N ATOM 485 CA LEU A 37 2.388 -10.472 -3.408 1.00 0.00 C ATOM 486 C LEU A 37 2.123 -9.052 -3.898 1.00 0.00 C ATOM 487 O LEU A 37 2.564 -8.666 -4.981 1.00 0.00 O ATOM 488 CB LEU A 37 3.786 -10.559 -2.793 1.00 0.00 C ATOM 489 CG LEU A 37 3.889 -10.212 -1.308 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.298 -11.326 -0.457 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.338 -9.955 -0.920 1.00 0.00 C ATOM 0 H LEU A 37 3.126 -11.645 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 37 1.648 -10.718 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.161 -11.572 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.447 -9.893 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 37 3.317 -9.302 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.380 -11.061 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.248 -11.464 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.842 -12.253 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.393 -9.709 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.931 -10.848 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.729 -9.123 -1.506 1.00 0.00 H new ATOM 503 N TRP A 38 1.403 -8.278 -3.093 1.00 0.00 N ATOM 504 CA TRP A 38 1.082 -6.900 -3.445 1.00 0.00 C ATOM 505 C TRP A 38 1.378 -5.958 -2.282 1.00 0.00 C ATOM 506 O TRP A 38 0.945 -6.194 -1.153 1.00 0.00 O ATOM 507 CB TRP A 38 -0.388 -6.784 -3.849 1.00 0.00 C ATOM 508 CG TRP A 38 -0.598 -6.783 -5.333 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.870 -7.863 -6.123 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.551 -5.648 -6.204 1.00 0.00 C ATOM 511 NE1 TRP A 38 -0.995 -7.468 -7.433 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.805 -6.114 -7.509 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.322 -4.283 -6.009 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.834 -5.263 -8.611 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.351 -3.440 -7.104 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.606 -3.932 -8.391 1.00 0.00 C ATOM 0 H TRP A 38 1.031 -8.581 -2.193 1.00 0.00 H new ATOM 0 HA TRP A 38 1.707 -6.612 -4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.944 -7.613 -3.411 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.801 -5.866 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.972 -8.879 -5.770 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.197 -8.083 -8.221 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.126 -3.894 -5.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.030 -5.640 -9.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.174 -2.384 -6.965 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.623 -3.247 -9.226 1.00 0.00 H new ATOM 527 N LEU A 39 2.118 -4.892 -2.564 1.00 0.00 N ATOM 528 CA LEU A 39 2.472 -3.914 -1.541 1.00 0.00 C ATOM 529 C LEU A 39 1.766 -2.585 -1.790 1.00 0.00 C ATOM 530 O LEU A 39 2.174 -1.805 -2.651 1.00 0.00 O ATOM 531 CB LEU A 39 3.987 -3.702 -1.512 1.00 0.00 C ATOM 532 CG LEU A 39 4.768 -4.580 -0.534 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.263 -4.463 -0.789 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.439 -4.202 0.903 1.00 0.00 C ATOM 0 H LEU A 39 2.485 -4.683 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 39 2.147 -4.302 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.377 -3.874 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.183 -2.658 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 39 4.473 -5.617 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.803 -5.095 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.485 -4.784 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.574 -3.426 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.004 -4.837 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.705 -3.159 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.372 -4.339 1.080 1.00 0.00 H new ATOM 546 N VAL A 40 0.706 -2.332 -1.029 1.00 0.00 N ATOM 547 CA VAL A 40 -0.055 -1.096 -1.165 1.00 0.00 C ATOM 548 C VAL A 40 0.273 -0.122 -0.039 1.00 0.00 C ATOM 549 O VAL A 40 0.124 -0.447 1.138 1.00 0.00 O ATOM 550 CB VAL A 40 -1.571 -1.367 -1.168 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.337 -0.118 -1.575 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.902 -2.530 -2.092 1.00 0.00 C ATOM 0 H VAL A 40 0.355 -2.967 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 40 0.229 -0.653 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.876 -1.637 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.406 -0.330 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.124 0.686 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.031 0.187 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.977 -2.708 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.583 -2.291 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.383 -3.425 -1.750 1.00 0.00 H new ATOM 562 N GLU A 41 0.720 1.074 -0.410 1.00 0.00 N ATOM 563 CA GLU A 41 1.070 2.095 0.571 1.00 0.00 C ATOM 564 C GLU A 41 0.132 3.295 0.464 1.00 0.00 C ATOM 565 O GLU A 41 0.067 3.956 -0.572 1.00 0.00 O ATOM 566 CB GLU A 41 2.518 2.547 0.375 1.00 0.00 C ATOM 567 CG GLU A 41 2.817 3.910 0.976 1.00 0.00 C ATOM 568 CD GLU A 41 2.872 5.009 -0.068 1.00 0.00 C ATOM 569 OE1 GLU A 41 2.186 4.877 -1.104 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.599 6.000 0.150 1.00 0.00 O ATOM 0 H GLU A 41 0.848 1.359 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 41 0.965 1.660 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.184 1.808 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.740 2.573 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.053 4.153 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.769 3.869 1.505 1.00 0.00 H new ATOM 577 N PHE A 42 -0.593 3.569 1.543 1.00 0.00 N ATOM 578 CA PHE A 42 -1.528 4.688 1.572 1.00 0.00 C ATOM 579 C PHE A 42 -0.808 5.990 1.908 1.00 0.00 C ATOM 580 O PHE A 42 -0.490 6.256 3.068 1.00 0.00 O ATOM 581 CB PHE A 42 -2.637 4.427 2.593 1.00 0.00 C ATOM 582 CG PHE A 42 -3.446 3.196 2.299 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.949 1.937 2.593 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.704 3.299 1.727 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.691 0.802 2.323 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.451 2.168 1.455 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.943 0.918 1.753 1.00 0.00 C ATOM 0 H PHE A 42 -0.551 3.032 2.409 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.971 4.784 0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.193 4.332 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.302 5.290 2.624 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.970 1.841 3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.105 4.274 1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.292 -0.174 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.431 2.261 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.525 0.033 1.540 1.00 0.00 H new ATOM 597 N TYR A 43 -0.554 6.799 0.886 1.00 0.00 N ATOM 598 CA TYR A 43 0.132 8.073 1.071 1.00 0.00 C ATOM 599 C TYR A 43 -0.833 9.241 0.890 1.00 0.00 C ATOM 600 O TYR A 43 -1.995 9.052 0.534 1.00 0.00 O ATOM 601 CB TYR A 43 1.293 8.199 0.084 1.00 0.00 C ATOM 602 CG TYR A 43 0.860 8.557 -1.320 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.534 9.865 -1.655 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.774 7.587 -2.311 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.136 10.197 -2.936 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.379 7.909 -3.594 1.00 0.00 C ATOM 607 CZ TYR A 43 0.061 9.216 -3.902 1.00 0.00 C ATOM 608 OH TYR A 43 -0.334 9.541 -5.179 1.00 0.00 O ATOM 0 H TYR A 43 -0.813 6.596 -0.079 1.00 0.00 H new ATOM 0 HA TYR A 43 0.524 8.102 2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.986 8.959 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.840 7.256 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.593 10.636 -0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.021 6.563 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.115 11.219 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.319 7.142 -4.352 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.333 8.735 -5.737 1.00 0.00 H new ATOM 618 N ALA A 44 -0.340 10.450 1.139 1.00 0.00 N ATOM 619 CA ALA A 44 -1.155 11.651 1.002 1.00 0.00 C ATOM 620 C ALA A 44 -0.391 12.754 0.278 1.00 0.00 C ATOM 621 O ALA A 44 0.677 13.188 0.709 1.00 0.00 O ATOM 622 CB ALA A 44 -1.616 12.135 2.369 1.00 0.00 C ATOM 0 H ALA A 44 0.620 10.624 1.437 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.031 11.399 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.223 13.032 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.208 11.356 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.747 12.363 2.986 1.00 0.00 H new ATOM 628 N PRO A 45 -0.949 13.219 -0.849 1.00 0.00 N ATOM 629 CA PRO A 45 -0.337 14.278 -1.657 1.00 0.00 C ATOM 630 C PRO A 45 -0.376 15.634 -0.962 1.00 0.00 C ATOM 631 O PRO A 45 0.030 16.647 -1.532 1.00 0.00 O ATOM 632 CB PRO A 45 -1.197 14.301 -2.923 1.00 0.00 C ATOM 633 CG PRO A 45 -2.517 13.761 -2.494 1.00 0.00 C ATOM 634 CD PRO A 45 -2.221 12.748 -1.422 1.00 0.00 C ATOM 0 HA PRO A 45 0.719 14.086 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.293 15.312 -3.318 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.757 13.691 -3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.159 14.556 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.041 13.301 -3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.011 12.714 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.129 11.743 -1.833 1.00 0.00 H new ATOM 642 N TRP A 46 -0.867 15.647 0.272 1.00 0.00 N ATOM 643 CA TRP A 46 -0.959 16.880 1.046 1.00 0.00 C ATOM 644 C TRP A 46 -0.068 16.815 2.281 1.00 0.00 C ATOM 645 O TRP A 46 0.225 17.839 2.900 1.00 0.00 O ATOM 646 CB TRP A 46 -2.408 17.140 1.460 1.00 0.00 C ATOM 647 CG TRP A 46 -3.025 15.998 2.210 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.993 15.148 1.756 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.718 15.585 3.545 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.306 14.230 2.730 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.537 14.476 3.837 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.830 16.041 4.523 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.493 13.821 5.064 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.788 15.390 5.741 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.614 14.289 6.003 1.00 0.00 C ATOM 0 H TRP A 46 -1.208 14.818 0.758 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.616 17.701 0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.446 18.036 2.080 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.002 17.344 0.569 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.446 15.191 0.776 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.999 13.486 2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.188 16.888 4.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.130 12.973 5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.107 15.736 6.504 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.556 13.800 6.964 1.00 0.00 H new ATOM 666 N CYS A 47 0.360 15.608 2.634 1.00 0.00 N ATOM 667 CA CYS A 47 1.218 15.411 3.797 1.00 0.00 C ATOM 668 C CYS A 47 2.680 15.661 3.443 1.00 0.00 C ATOM 669 O CYS A 47 3.023 15.851 2.277 1.00 0.00 O ATOM 670 CB CYS A 47 1.049 13.994 4.347 1.00 0.00 C ATOM 671 SG CYS A 47 1.211 13.875 6.144 1.00 0.00 S ATOM 0 H CYS A 47 0.127 14.751 2.132 1.00 0.00 H new ATOM 0 HA CYS A 47 0.921 16.128 4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.069 13.617 4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.791 13.345 3.882 1.00 0.00 H new ATOM 0 HG CYS A 47 1.645 12.692 6.463 1.00 0.00 H new ATOM 677 N GLY A 48 3.538 15.662 4.459 1.00 0.00 N ATOM 678 CA GLY A 48 4.954 15.892 4.234 1.00 0.00 C ATOM 679 C GLY A 48 5.736 14.601 4.096 1.00 0.00 C ATOM 680 O GLY A 48 6.173 14.245 3.001 1.00 0.00 O ATOM 0 H GLY A 48 3.278 15.508 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.083 16.490 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.361 16.473 5.062 1.00 0.00 H new ATOM 684 N HIS A 49 5.915 13.898 5.210 1.00 0.00 N ATOM 685 CA HIS A 49 6.652 12.639 5.209 1.00 0.00 C ATOM 686 C HIS A 49 6.191 11.740 4.065 1.00 0.00 C ATOM 687 O HIS A 49 6.972 10.956 3.525 1.00 0.00 O ATOM 688 CB HIS A 49 6.471 11.917 6.544 1.00 0.00 C ATOM 689 CG HIS A 49 5.120 12.119 7.157 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.932 12.729 8.379 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.886 11.791 6.708 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.640 12.765 8.657 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.984 12.202 7.658 1.00 0.00 N ATOM 0 H HIS A 49 5.560 14.178 6.124 1.00 0.00 H new ATOM 0 HA HIS A 49 7.709 12.865 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.638 10.850 6.396 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.233 12.265 7.242 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.674 13.095 8.975 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.654 11.298 5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.197 13.183 9.549 1.00 0.00 H new ATOM 702 N CYS A 50 4.919 11.860 3.702 1.00 0.00 N ATOM 703 CA CYS A 50 4.353 11.057 2.623 1.00 0.00 C ATOM 704 C CYS A 50 5.019 11.389 1.292 1.00 0.00 C ATOM 705 O CYS A 50 5.459 10.496 0.568 1.00 0.00 O ATOM 706 CB CYS A 50 2.845 11.289 2.524 1.00 0.00 C ATOM 707 SG CYS A 50 1.913 10.709 3.960 1.00 0.00 S ATOM 0 H CYS A 50 4.260 12.505 4.138 1.00 0.00 H new ATOM 0 HA CYS A 50 4.538 10.007 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.660 12.355 2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.469 10.786 1.633 1.00 0.00 H new ATOM 0 HG CYS A 50 1.736 9.424 3.872 1.00 0.00 H new ATOM 713 N GLN A 51 5.088 12.678 0.975 1.00 0.00 N ATOM 714 CA GLN A 51 5.699 13.126 -0.271 1.00 0.00 C ATOM 715 C GLN A 51 7.178 12.755 -0.317 1.00 0.00 C ATOM 716 O GLN A 51 7.782 12.707 -1.388 1.00 0.00 O ATOM 717 CB GLN A 51 5.535 14.639 -0.428 1.00 0.00 C ATOM 718 CG GLN A 51 4.086 15.096 -0.440 1.00 0.00 C ATOM 719 CD GLN A 51 3.950 16.604 -0.525 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.737 17.273 -1.195 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.947 17.147 0.155 1.00 0.00 N ATOM 0 H GLN A 51 4.729 13.430 1.563 1.00 0.00 H new ATOM 0 HA GLN A 51 5.192 12.625 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.058 15.139 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.014 14.954 -1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.572 14.640 -1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.589 14.741 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.319 16.554 0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.805 18.157 0.135 1.00 0.00 H new ATOM 730 N ARG A 52 7.754 12.495 0.852 1.00 0.00 N ATOM 731 CA ARG A 52 9.162 12.130 0.945 1.00 0.00 C ATOM 732 C ARG A 52 9.346 10.625 0.775 1.00 0.00 C ATOM 733 O ARG A 52 10.471 10.124 0.759 1.00 0.00 O ATOM 734 CB ARG A 52 9.739 12.576 2.290 1.00 0.00 C ATOM 735 CG ARG A 52 9.376 14.003 2.665 1.00 0.00 C ATOM 736 CD ARG A 52 10.392 14.997 2.125 1.00 0.00 C ATOM 737 NE ARG A 52 9.842 16.346 2.031 1.00 0.00 N ATOM 738 CZ ARG A 52 10.587 17.446 2.048 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.905 17.357 2.155 1.00 0.00 N ATOM 740 NH2 ARG A 52 10.012 18.639 1.958 1.00 0.00 N ATOM 0 H ARG A 52 7.267 12.530 1.748 1.00 0.00 H new ATOM 0 HA ARG A 52 9.696 12.637 0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.383 11.903 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.825 12.482 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.387 14.243 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.320 14.092 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.268 15.007 2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.728 14.673 1.140 1.00 0.00 H new ATOM 0 HE ARG A 52 8.831 16.450 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.350 16.442 2.225 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.474 18.203 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.998 18.711 1.876 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.584 19.483 1.971 1.00 0.00 H new ATOM 754 N LEU A 53 8.234 9.909 0.648 1.00 0.00 N ATOM 755 CA LEU A 53 8.272 8.460 0.479 1.00 0.00 C ATOM 756 C LEU A 53 8.002 8.074 -0.971 1.00 0.00 C ATOM 757 O LEU A 53 7.876 6.893 -1.298 1.00 0.00 O ATOM 758 CB LEU A 53 7.246 7.793 1.397 1.00 0.00 C ATOM 759 CG LEU A 53 7.347 6.272 1.523 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.672 5.877 2.158 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.181 5.726 2.333 1.00 0.00 C ATOM 0 H LEU A 53 7.295 10.308 0.659 1.00 0.00 H new ATOM 0 HA LEU A 53 9.270 8.113 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.342 8.227 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.248 8.042 1.035 1.00 0.00 H new ATOM 0 HG LEU A 53 7.303 5.839 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.727 4.791 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.494 6.236 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.746 6.320 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.269 4.642 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.194 6.165 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.244 5.978 1.837 1.00 0.00 H new ATOM 773 N THR A 54 7.915 9.077 -1.839 1.00 0.00 N ATOM 774 CA THR A 54 7.661 8.843 -3.255 1.00 0.00 C ATOM 775 C THR A 54 8.835 8.129 -3.914 1.00 0.00 C ATOM 776 O THR A 54 8.677 7.103 -4.576 1.00 0.00 O ATOM 777 CB THR A 54 7.391 10.162 -4.003 1.00 0.00 C ATOM 778 OG1 THR A 54 6.921 11.157 -3.087 1.00 0.00 O ATOM 779 CG2 THR A 54 6.366 9.958 -5.108 1.00 0.00 C ATOM 0 H THR A 54 8.017 10.060 -1.586 1.00 0.00 H new ATOM 0 HA THR A 54 6.775 8.211 -3.317 1.00 0.00 H new ATOM 0 HB THR A 54 8.325 10.496 -4.454 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.674 11.709 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.192 10.903 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.740 9.222 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.431 9.603 -4.676 1.00 0.00 H new ATOM 787 N PRO A 55 10.043 8.682 -3.730 1.00 0.00 N ATOM 788 CA PRO A 55 11.269 8.113 -4.299 1.00 0.00 C ATOM 789 C PRO A 55 11.661 6.799 -3.632 1.00 0.00 C ATOM 790 O PRO A 55 12.199 5.901 -4.280 1.00 0.00 O ATOM 791 CB PRO A 55 12.322 9.189 -4.019 1.00 0.00 C ATOM 792 CG PRO A 55 11.805 9.927 -2.833 1.00 0.00 C ATOM 793 CD PRO A 55 10.306 9.905 -2.953 1.00 0.00 C ATOM 0 HA PRO A 55 11.155 7.873 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.297 8.745 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.447 9.853 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.129 9.453 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.180 10.950 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.825 9.871 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.931 10.793 -3.462 1.00 0.00 H new ATOM 801 N GLU A 56 11.388 6.693 -2.336 1.00 0.00 N ATOM 802 CA GLU A 56 11.714 5.488 -1.583 1.00 0.00 C ATOM 803 C GLU A 56 10.784 4.340 -1.965 1.00 0.00 C ATOM 804 O GLU A 56 11.229 3.214 -2.187 1.00 0.00 O ATOM 805 CB GLU A 56 11.619 5.757 -0.080 1.00 0.00 C ATOM 806 CG GLU A 56 12.676 6.719 0.434 1.00 0.00 C ATOM 807 CD GLU A 56 12.448 7.120 1.879 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.687 8.081 2.116 1.00 0.00 O ATOM 809 OE2 GLU A 56 13.030 6.470 2.773 1.00 0.00 O ATOM 0 H GLU A 56 10.942 7.427 -1.786 1.00 0.00 H new ATOM 0 HA GLU A 56 12.737 5.202 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.632 6.160 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.708 4.812 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.659 6.257 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.683 7.613 -0.190 1.00 0.00 H new ATOM 816 N TRP A 57 9.491 4.635 -2.040 1.00 0.00 N ATOM 817 CA TRP A 57 8.497 3.628 -2.394 1.00 0.00 C ATOM 818 C TRP A 57 8.681 3.164 -3.835 1.00 0.00 C ATOM 819 O TRP A 57 8.594 1.972 -4.131 1.00 0.00 O ATOM 820 CB TRP A 57 7.085 4.185 -2.202 1.00 0.00 C ATOM 821 CG TRP A 57 6.026 3.124 -2.180 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.925 3.049 -2.984 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.968 1.989 -1.309 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.186 1.936 -2.665 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.805 1.268 -1.642 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.786 1.511 -0.282 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.441 0.097 -0.983 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.424 0.348 0.371 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.261 -0.349 0.019 1.00 0.00 C ATOM 0 H TRP A 57 9.107 5.563 -1.861 1.00 0.00 H new ATOM 0 HA TRP A 57 8.635 2.771 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.047 4.746 -1.268 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.867 4.889 -3.005 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.672 3.760 -3.757 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.317 1.653 -3.117 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.685 2.041 -0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.544 -0.441 -1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.049 -0.030 1.167 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.006 -1.255 0.548 1.00 0.00 H new ATOM 840 N LYS A 58 8.937 4.114 -4.729 1.00 0.00 N ATOM 841 CA LYS A 58 9.136 3.803 -6.140 1.00 0.00 C ATOM 842 C LYS A 58 10.324 2.865 -6.328 1.00 0.00 C ATOM 843 O LYS A 58 10.211 1.827 -6.980 1.00 0.00 O ATOM 844 CB LYS A 58 9.356 5.089 -6.940 1.00 0.00 C ATOM 845 CG LYS A 58 8.067 5.804 -7.308 1.00 0.00 C ATOM 846 CD LYS A 58 8.342 7.131 -7.994 1.00 0.00 C ATOM 847 CE LYS A 58 7.089 7.989 -8.073 1.00 0.00 C ATOM 848 NZ LYS A 58 7.386 9.363 -8.565 1.00 0.00 N ATOM 0 H LYS A 58 9.011 5.105 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 58 8.240 3.303 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.984 5.765 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.903 4.850 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.473 5.170 -7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.475 5.974 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.118 7.669 -7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.724 6.950 -8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.366 7.515 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.627 8.048 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.506 9.916 -8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.057 9.826 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.803 9.309 -9.516 1.00 0.00 H new ATOM 862 N LYS A 59 11.463 3.237 -5.753 1.00 0.00 N ATOM 863 CA LYS A 59 12.672 2.428 -5.855 1.00 0.00 C ATOM 864 C LYS A 59 12.361 0.953 -5.623 1.00 0.00 C ATOM 865 O LYS A 59 12.719 0.099 -6.433 1.00 0.00 O ATOM 866 CB LYS A 59 13.716 2.906 -4.843 1.00 0.00 C ATOM 867 CG LYS A 59 14.652 3.970 -5.391 1.00 0.00 C ATOM 868 CD LYS A 59 15.684 4.389 -4.358 1.00 0.00 C ATOM 869 CE LYS A 59 15.188 5.553 -3.515 1.00 0.00 C ATOM 870 NZ LYS A 59 15.303 6.850 -4.237 1.00 0.00 N ATOM 0 H LYS A 59 11.574 4.094 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 59 13.072 2.542 -6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.205 3.301 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.306 2.052 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.158 3.589 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.073 4.840 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.917 3.543 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.610 4.671 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.148 5.383 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.761 5.601 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.134 7.633 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.257 6.939 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.598 6.886 -5.001 1.00 0.00 H new ATOM 884 N ALA A 60 11.691 0.662 -4.513 1.00 0.00 N ATOM 885 CA ALA A 60 11.329 -0.709 -4.176 1.00 0.00 C ATOM 886 C ALA A 60 10.466 -1.333 -5.268 1.00 0.00 C ATOM 887 O ALA A 60 10.610 -2.513 -5.588 1.00 0.00 O ATOM 888 CB ALA A 60 10.603 -0.751 -2.840 1.00 0.00 C ATOM 0 H ALA A 60 11.388 1.358 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 60 12.247 -1.291 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.339 -1.781 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.253 -0.353 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.697 -0.149 -2.899 1.00 0.00 H new ATOM 894 N ALA A 61 9.570 -0.533 -5.837 1.00 0.00 N ATOM 895 CA ALA A 61 8.686 -1.007 -6.894 1.00 0.00 C ATOM 896 C ALA A 61 9.478 -1.409 -8.134 1.00 0.00 C ATOM 897 O ALA A 61 9.116 -2.355 -8.835 1.00 0.00 O ATOM 898 CB ALA A 61 7.662 0.063 -7.245 1.00 0.00 C ATOM 0 H ALA A 61 9.437 0.446 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 61 8.163 -1.890 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.008 -0.305 -8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.067 0.300 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.177 0.961 -7.588 1.00 0.00 H new ATOM 904 N THR A 62 10.561 -0.686 -8.399 1.00 0.00 N ATOM 905 CA THR A 62 11.403 -0.966 -9.555 1.00 0.00 C ATOM 906 C THR A 62 12.063 -2.335 -9.435 1.00 0.00 C ATOM 907 O THR A 62 12.175 -3.069 -10.416 1.00 0.00 O ATOM 908 CB THR A 62 12.496 0.105 -9.727 1.00 0.00 C ATOM 909 OG1 THR A 62 11.902 1.407 -9.787 1.00 0.00 O ATOM 910 CG2 THR A 62 13.307 -0.146 -10.989 1.00 0.00 C ATOM 0 H THR A 62 10.876 0.099 -7.828 1.00 0.00 H new ATOM 0 HA THR A 62 10.753 -0.954 -10.430 1.00 0.00 H new ATOM 0 HB THR A 62 13.165 0.050 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.604 2.082 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.073 0.623 -11.089 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.782 -1.125 -10.927 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.648 -0.117 -11.857 1.00 0.00 H new ATOM 918 N ALA A 63 12.499 -2.673 -8.226 1.00 0.00 N ATOM 919 CA ALA A 63 13.146 -3.955 -7.977 1.00 0.00 C ATOM 920 C ALA A 63 12.116 -5.072 -7.845 1.00 0.00 C ATOM 921 O ALA A 63 12.281 -6.152 -8.415 1.00 0.00 O ATOM 922 CB ALA A 63 14.007 -3.878 -6.725 1.00 0.00 C ATOM 0 H ALA A 63 12.416 -2.076 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 63 13.785 -4.183 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.484 -4.843 -6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.772 -3.113 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.382 -3.623 -5.869 1.00 0.00 H new ATOM 928 N LEU A 64 11.056 -4.807 -7.091 1.00 0.00 N ATOM 929 CA LEU A 64 9.999 -5.792 -6.883 1.00 0.00 C ATOM 930 C LEU A 64 8.960 -5.718 -7.997 1.00 0.00 C ATOM 931 O LEU A 64 7.952 -6.424 -7.969 1.00 0.00 O ATOM 932 CB LEU A 64 9.327 -5.569 -5.527 1.00 0.00 C ATOM 933 CG LEU A 64 10.265 -5.323 -4.345 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.489 -4.795 -3.149 1.00 0.00 C ATOM 935 CD2 LEU A 64 11.009 -6.599 -3.980 1.00 0.00 C ATOM 0 H LEU A 64 10.905 -3.919 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 64 10.451 -6.784 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.653 -4.717 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.712 -6.440 -5.301 1.00 0.00 H new ATOM 0 HG LEU A 64 10.997 -4.571 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.173 -4.626 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.003 -3.856 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.734 -5.524 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.672 -6.405 -3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.292 -7.373 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.597 -6.934 -4.834 1.00 0.00 H new ATOM 947 N LYS A 65 9.212 -4.858 -8.979 1.00 0.00 N ATOM 948 CA LYS A 65 8.301 -4.693 -10.105 1.00 0.00 C ATOM 949 C LYS A 65 7.846 -6.047 -10.640 1.00 0.00 C ATOM 950 O LYS A 65 6.659 -6.260 -10.889 1.00 0.00 O ATOM 951 CB LYS A 65 8.977 -3.893 -11.221 1.00 0.00 C ATOM 952 CG LYS A 65 8.388 -4.152 -12.597 1.00 0.00 C ATOM 953 CD LYS A 65 9.035 -3.274 -13.655 1.00 0.00 C ATOM 954 CE LYS A 65 8.314 -1.941 -13.790 1.00 0.00 C ATOM 955 NZ LYS A 65 8.839 -1.139 -14.929 1.00 0.00 N ATOM 0 H LYS A 65 10.041 -4.264 -9.017 1.00 0.00 H new ATOM 0 HA LYS A 65 7.425 -4.148 -9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.896 -2.830 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.040 -4.136 -11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.524 -5.201 -12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.314 -3.966 -12.575 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.079 -3.099 -13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.027 -3.792 -14.614 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.248 -2.118 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.423 -1.374 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.060 -0.606 -15.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.561 -0.475 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.263 -1.774 -15.635 1.00 0.00 H new ATOM 969 N ASP A 66 8.796 -6.960 -10.812 1.00 0.00 N ATOM 970 CA ASP A 66 8.492 -8.295 -11.314 1.00 0.00 C ATOM 971 C ASP A 66 8.298 -9.277 -10.164 1.00 0.00 C ATOM 972 O ASP A 66 7.657 -10.316 -10.322 1.00 0.00 O ATOM 973 CB ASP A 66 9.611 -8.783 -12.236 1.00 0.00 C ATOM 974 CG ASP A 66 9.477 -8.242 -13.646 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.374 -8.352 -14.220 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.475 -7.711 -14.175 1.00 0.00 O ATOM 0 H ASP A 66 9.783 -6.800 -10.611 1.00 0.00 H new ATOM 0 HA ASP A 66 7.563 -8.241 -11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.574 -8.482 -11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.604 -9.873 -12.266 1.00 0.00 H new ATOM 981 N VAL A 67 8.858 -8.942 -9.006 1.00 0.00 N ATOM 982 CA VAL A 67 8.748 -9.795 -7.828 1.00 0.00 C ATOM 983 C VAL A 67 7.447 -9.530 -7.078 1.00 0.00 C ATOM 984 O VAL A 67 6.565 -10.388 -7.020 1.00 0.00 O ATOM 985 CB VAL A 67 9.933 -9.583 -6.868 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.143 -10.813 -5.998 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.196 -9.248 -7.647 1.00 0.00 C ATOM 0 H VAL A 67 9.393 -8.086 -8.858 1.00 0.00 H new ATOM 0 HA VAL A 67 8.757 -10.826 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 67 9.703 -8.741 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.985 -10.644 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.243 -11.002 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.352 -11.675 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.023 -9.101 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.433 -10.067 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.038 -8.335 -8.221 1.00 0.00 H new ATOM 997 N VAL A 68 7.333 -8.336 -6.505 1.00 0.00 N ATOM 998 CA VAL A 68 6.139 -7.957 -5.760 1.00 0.00 C ATOM 999 C VAL A 68 5.495 -6.708 -6.352 1.00 0.00 C ATOM 1000 O VAL A 68 6.151 -5.681 -6.525 1.00 0.00 O ATOM 1001 CB VAL A 68 6.461 -7.700 -4.276 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.190 -7.394 -3.498 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.189 -8.894 -3.675 1.00 0.00 C ATOM 0 H VAL A 68 8.053 -7.615 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 68 5.442 -8.792 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 68 7.116 -6.832 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.438 -7.215 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.713 -6.507 -3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.507 -8.240 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.409 -8.696 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.560 -9.781 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.120 -9.062 -4.216 1.00 0.00 H new ATOM 1013 N LYS A 69 4.206 -6.803 -6.660 1.00 0.00 N ATOM 1014 CA LYS A 69 3.471 -5.681 -7.231 1.00 0.00 C ATOM 1015 C LYS A 69 3.329 -4.551 -6.217 1.00 0.00 C ATOM 1016 O LYS A 69 2.444 -4.578 -5.362 1.00 0.00 O ATOM 1017 CB LYS A 69 2.087 -6.137 -7.700 1.00 0.00 C ATOM 1018 CG LYS A 69 2.119 -6.978 -8.964 1.00 0.00 C ATOM 1019 CD LYS A 69 2.056 -6.113 -10.211 1.00 0.00 C ATOM 1020 CE LYS A 69 2.399 -6.911 -11.460 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.837 -6.286 -12.689 1.00 0.00 N ATOM 0 H LYS A 69 3.649 -7.646 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 69 4.034 -5.308 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.614 -6.711 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.464 -5.259 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.030 -7.576 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.280 -7.674 -8.960 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.057 -5.690 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.748 -5.277 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.482 -6.989 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.014 -7.926 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.093 -6.859 -13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.801 -6.234 -12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.224 -5.327 -12.799 1.00 0.00 H new ATOM 1035 N VAL A 70 4.205 -3.556 -6.320 1.00 0.00 N ATOM 1036 CA VAL A 70 4.176 -2.415 -5.413 1.00 0.00 C ATOM 1037 C VAL A 70 3.342 -1.276 -5.990 1.00 0.00 C ATOM 1038 O VAL A 70 3.815 -0.507 -6.825 1.00 0.00 O ATOM 1039 CB VAL A 70 5.596 -1.897 -5.116 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.543 -0.698 -4.182 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.454 -3.005 -4.525 1.00 0.00 C ATOM 0 H VAL A 70 4.943 -3.517 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 70 3.722 -2.761 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 70 6.050 -1.577 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.555 -0.346 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.966 0.101 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.070 -0.988 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.454 -2.622 -4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.004 -3.357 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.520 -3.831 -5.233 1.00 0.00 H new ATOM 1051 N GLY A 71 2.096 -1.174 -5.536 1.00 0.00 N ATOM 1052 CA GLY A 71 1.215 -0.126 -6.018 1.00 0.00 C ATOM 1053 C GLY A 71 1.258 1.113 -5.146 1.00 0.00 C ATOM 1054 O GLY A 71 2.263 1.383 -4.489 1.00 0.00 O ATOM 0 H GLY A 71 1.682 -1.798 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.496 0.141 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.193 -0.504 -6.057 1.00 0.00 H new ATOM 1058 N ALA A 72 0.166 1.870 -5.142 1.00 0.00 N ATOM 1059 CA ALA A 72 0.083 3.088 -4.345 1.00 0.00 C ATOM 1060 C ALA A 72 -1.327 3.669 -4.375 1.00 0.00 C ATOM 1061 O ALA A 72 -1.907 3.862 -5.444 1.00 0.00 O ATOM 1062 CB ALA A 72 1.090 4.114 -4.843 1.00 0.00 C ATOM 0 H ALA A 72 -0.674 1.661 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 72 0.321 2.834 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.017 5.018 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.097 3.704 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.879 4.355 -5.885 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.873 3.945 -3.195 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.215 4.504 -3.087 1.00 0.00 C ATOM 1070 C VAL A 73 -3.201 5.822 -2.319 1.00 0.00 C ATOM 1071 O VAL A 73 -2.705 5.892 -1.196 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.176 3.525 -2.387 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.326 4.279 -1.736 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.697 2.492 -3.375 1.00 0.00 C ATOM 0 H VAL A 73 -1.407 3.791 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.567 4.682 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.627 3.001 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.995 3.571 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.932 4.976 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.877 4.831 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.375 1.808 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.230 2.996 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.860 1.930 -3.790 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.750 6.864 -2.934 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.800 8.181 -2.309 1.00 0.00 C ATOM 1086 C ASN A 74 -4.883 8.232 -1.235 1.00 0.00 C ATOM 1087 O ASN A 74 -6.048 8.496 -1.526 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.060 9.259 -3.362 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.244 10.634 -2.749 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -4.062 10.819 -1.546 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.608 11.607 -3.577 1.00 0.00 N ATOM 0 H ASN A 74 -4.166 6.822 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.835 8.369 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.227 9.286 -4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.950 8.997 -3.934 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.748 12.553 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.748 11.408 -4.568 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.488 7.977 0.008 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.423 7.996 1.126 1.00 0.00 C ATOM 1100 C ALA A 75 -6.338 9.214 1.056 1.00 0.00 C ATOM 1101 O ALA A 75 -7.529 9.126 1.354 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.667 7.977 2.447 1.00 0.00 C ATOM 0 H ALA A 75 -3.527 7.755 0.266 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.045 7.103 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.378 7.992 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.060 7.073 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.021 8.853 2.509 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.773 10.350 0.660 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.538 11.586 0.551 1.00 0.00 C ATOM 1110 C ASP A 76 -7.668 11.438 -0.464 1.00 0.00 C ATOM 1111 O ASP A 76 -8.818 11.777 -0.183 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.623 12.744 0.147 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.362 14.065 0.067 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.934 14.488 1.093 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.369 14.675 -1.023 1.00 0.00 O ATOM 0 H ASP A 76 -4.788 10.440 0.409 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.975 11.801 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.810 12.829 0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.170 12.525 -0.820 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.333 10.929 -1.645 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.318 10.735 -2.702 1.00 0.00 C ATOM 1122 C LYS A 77 -9.147 9.480 -2.450 1.00 0.00 C ATOM 1123 O LYS A 77 -10.370 9.547 -2.318 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.624 10.636 -4.062 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.544 10.187 -5.184 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.773 9.500 -6.298 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.179 10.509 -7.269 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.234 11.236 -8.027 1.00 0.00 N ATOM 0 H LYS A 77 -6.386 10.643 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.986 11.596 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.202 11.608 -4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.791 9.937 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.297 9.505 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.075 11.049 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.976 8.893 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.436 8.822 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.568 11.225 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.518 9.995 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.838 11.590 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.023 10.590 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.579 12.037 -7.460 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.474 8.335 -2.382 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.149 7.065 -2.143 1.00 0.00 C ATOM 1144 C HIS A 78 -9.433 6.872 -0.656 1.00 0.00 C ATOM 1145 O HIS A 78 -9.220 5.789 -0.111 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.300 5.906 -2.667 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.906 6.054 -4.104 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -8.768 6.514 -5.077 1.00 0.00 N ATOM 1149 CD2 HIS A 78 -6.734 5.801 -4.731 1.00 0.00 C ATOM 1150 CE1 HIS A 78 -8.143 6.536 -6.241 1.00 0.00 C ATOM 1151 NE2 HIS A 78 -6.907 6.109 -6.058 1.00 0.00 N ATOM 0 H HIS A 78 -7.462 8.261 -2.489 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.099 7.080 -2.677 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.399 5.822 -2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.855 4.976 -2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.830 5.426 -4.273 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.570 6.850 -7.182 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.196 6.022 -6.784 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.913 7.928 -0.008 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.224 7.874 1.415 1.00 0.00 C ATOM 1162 C GLN A 79 -10.965 6.587 1.762 1.00 0.00 C ATOM 1163 O GLN A 79 -10.698 5.963 2.790 1.00 0.00 O ATOM 1164 CB GLN A 79 -11.064 9.086 1.822 1.00 0.00 C ATOM 1165 CG GLN A 79 -10.247 10.351 2.029 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.754 10.499 3.455 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -10.349 11.218 4.259 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -8.660 9.819 3.778 1.00 0.00 N ATOM 0 H GLN A 79 -10.095 8.831 -0.446 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.284 7.891 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.816 9.271 1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.599 8.854 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.393 10.342 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.853 11.218 1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.198 9.235 3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.282 9.881 4.723 1.00 0.00 H new ATOM 1177 N SER A 80 -11.896 6.195 0.899 1.00 0.00 N ATOM 1178 CA SER A 80 -12.679 4.984 1.116 1.00 0.00 C ATOM 1179 C SER A 80 -11.771 3.764 1.231 1.00 0.00 C ATOM 1180 O SER A 80 -11.923 2.945 2.139 1.00 0.00 O ATOM 1181 CB SER A 80 -13.677 4.785 -0.026 1.00 0.00 C ATOM 1182 OG SER A 80 -14.832 5.585 0.161 1.00 0.00 O ATOM 0 H SER A 80 -12.127 6.698 0.042 1.00 0.00 H new ATOM 0 HA SER A 80 -13.227 5.098 2.052 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.204 5.039 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.964 3.735 -0.084 1.00 0.00 H new ATOM 0 HG SER A 80 -15.454 5.441 -0.583 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.826 3.647 0.304 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.892 2.527 0.300 1.00 0.00 C ATOM 1190 C LEU A 81 -9.166 2.419 1.637 1.00 0.00 C ATOM 1191 O LEU A 81 -9.245 1.397 2.317 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.878 2.687 -0.834 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.368 2.307 -2.232 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.236 2.418 -3.242 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -9.947 0.901 -2.229 1.00 0.00 C ATOM 0 H LEU A 81 -10.687 4.315 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.461 1.611 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.549 3.726 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.003 2.080 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.156 3.002 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.603 2.144 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.867 3.443 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.426 1.746 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.291 0.647 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.180 0.192 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.786 0.855 -1.535 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.458 3.482 2.008 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.729 3.487 3.262 1.00 0.00 C ATOM 1209 C GLY A 82 -8.596 3.078 4.438 1.00 0.00 C ATOM 1210 O GLY A 82 -8.319 2.083 5.105 1.00 0.00 O ATOM 0 H GLY A 82 -8.377 4.340 1.462 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.879 2.808 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.326 4.484 3.441 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.647 3.851 4.693 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.539 3.549 5.797 1.00 0.00 C ATOM 1216 C GLY A 83 -11.131 2.157 5.700 1.00 0.00 C ATOM 1217 O GLY A 83 -11.317 1.484 6.713 1.00 0.00 O ATOM 0 H GLY A 83 -9.897 4.681 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.995 3.644 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.345 4.282 5.820 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.429 1.726 4.478 1.00 0.00 N ATOM 1222 CA GLN A 84 -12.006 0.406 4.254 1.00 0.00 C ATOM 1223 C GLN A 84 -11.103 -0.685 4.820 1.00 0.00 C ATOM 1224 O GLN A 84 -11.554 -1.798 5.094 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.233 0.173 2.760 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.897 -1.158 2.446 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.538 -1.181 1.072 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.762 -1.202 0.945 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.710 -1.176 0.033 1.00 0.00 N ATOM 0 H GLN A 84 -11.280 2.271 3.629 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.965 0.363 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.850 0.980 2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.275 0.222 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.155 -1.954 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.655 -1.368 3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.701 -1.158 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.083 -1.190 -0.916 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.827 -0.360 4.992 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.860 -1.314 5.523 1.00 0.00 C ATOM 1240 C TYR A 85 -8.516 -0.991 6.974 1.00 0.00 C ATOM 1241 O TYR A 85 -8.338 -1.889 7.796 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.589 -1.310 4.672 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.712 -2.110 3.395 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.555 -1.695 2.371 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.987 -3.281 3.213 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.671 -2.423 1.203 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.096 -4.014 2.047 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.939 -3.581 1.045 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.052 -4.310 -0.117 1.00 0.00 O ATOM 0 H TYR A 85 -9.438 0.557 4.772 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.310 -2.306 5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.332 -0.280 4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.765 -1.710 5.263 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.129 -0.788 2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.327 -3.624 3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.332 -2.087 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.524 -4.921 1.921 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.754 -3.765 -0.875 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.425 0.299 7.280 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.103 0.720 8.631 1.00 0.00 C ATOM 1261 C GLY A 86 -6.954 1.708 8.673 1.00 0.00 C ATOM 1262 O GLY A 86 -6.074 1.612 9.528 1.00 0.00 O ATOM 0 H GLY A 86 -8.568 1.060 6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.984 1.172 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.848 -0.155 9.230 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.960 2.660 7.746 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.910 3.670 7.679 1.00 0.00 C ATOM 1268 C VAL A 87 -6.339 4.955 8.378 1.00 0.00 C ATOM 1269 O VAL A 87 -7.373 5.535 8.050 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.533 3.992 6.221 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.354 4.951 6.174 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.223 2.715 5.456 1.00 0.00 C ATOM 0 H VAL A 87 -7.681 2.753 7.030 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.039 3.256 8.188 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.384 4.477 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.102 5.167 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.618 5.878 6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.496 4.497 6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.959 2.962 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.389 2.200 5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.099 2.067 5.460 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.536 5.393 9.343 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.833 6.611 10.088 1.00 0.00 C ATOM 1284 C GLN A 88 -4.685 7.609 9.981 1.00 0.00 C ATOM 1285 O GLN A 88 -4.905 8.817 9.900 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.102 6.281 11.558 1.00 0.00 C ATOM 1287 CG GLN A 88 -7.197 5.246 11.758 1.00 0.00 C ATOM 1288 CD GLN A 88 -6.798 3.870 11.263 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -5.622 3.605 11.012 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -7.778 2.985 11.120 1.00 0.00 N ATOM 0 H GLN A 88 -4.676 4.923 9.627 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.725 7.064 9.655 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.182 5.917 12.014 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.378 7.196 12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.448 5.188 12.817 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.097 5.569 11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.739 3.248 11.340 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.570 2.042 10.790 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.459 7.095 9.981 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.294 7.955 9.883 1.00 0.00 C ATOM 1301 C GLY A 89 -1.299 7.469 8.848 1.00 0.00 C ATOM 1302 O GLY A 89 -0.852 6.323 8.897 1.00 0.00 O ATOM 0 H GLY A 89 -3.252 6.098 10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.613 8.966 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.804 8.010 10.855 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.952 8.341 7.908 1.00 0.00 N ATOM 1307 CA PHE A 90 -0.005 7.993 6.854 1.00 0.00 C ATOM 1308 C PHE A 90 1.385 8.535 7.172 1.00 0.00 C ATOM 1309 O PHE A 90 1.557 9.426 8.004 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.483 8.542 5.508 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.938 8.914 5.495 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.870 8.142 6.170 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.374 10.036 4.809 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.210 8.482 6.159 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.712 10.382 4.794 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.631 9.604 5.471 1.00 0.00 C ATOM 0 H PHE A 90 -1.312 9.294 7.854 1.00 0.00 H new ATOM 0 HA PHE A 90 0.052 6.906 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.110 9.419 5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.300 7.796 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.546 7.265 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.659 10.648 4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.927 7.871 6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.038 11.259 4.254 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.677 9.872 5.463 1.00 0.00 H new ATOM 1326 N PRO A 91 2.404 7.983 6.495 1.00 0.00 N ATOM 1327 CA PRO A 91 2.212 6.921 5.503 1.00 0.00 C ATOM 1328 C PRO A 91 1.792 5.601 6.141 1.00 0.00 C ATOM 1329 O PRO A 91 2.173 5.297 7.272 1.00 0.00 O ATOM 1330 CB PRO A 91 3.592 6.788 4.855 1.00 0.00 C ATOM 1331 CG PRO A 91 4.545 7.274 5.891 1.00 0.00 C ATOM 1332 CD PRO A 91 3.821 8.354 6.646 1.00 0.00 C ATOM 0 HA PRO A 91 1.416 7.160 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.801 5.755 4.578 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.661 7.382 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.843 6.465 6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.455 7.661 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.120 8.382 7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.025 9.341 6.230 1.00 0.00 H new ATOM 1340 N THR A 92 1.006 4.819 5.409 1.00 0.00 N ATOM 1341 CA THR A 92 0.534 3.531 5.903 1.00 0.00 C ATOM 1342 C THR A 92 0.751 2.432 4.869 1.00 0.00 C ATOM 1343 O THR A 92 -0.021 2.300 3.919 1.00 0.00 O ATOM 1344 CB THR A 92 -0.960 3.585 6.273 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.146 4.384 7.447 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.509 2.186 6.513 1.00 0.00 C ATOM 0 H THR A 92 0.682 5.055 4.471 1.00 0.00 H new ATOM 0 HA THR A 92 1.114 3.304 6.797 1.00 0.00 H new ATOM 0 HB THR A 92 -1.502 4.033 5.440 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.439 5.061 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.566 2.249 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.393 1.589 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.962 1.716 7.330 1.00 0.00 H new ATOM 1354 N ILE A 93 1.805 1.646 5.060 1.00 0.00 N ATOM 1355 CA ILE A 93 2.121 0.557 4.144 1.00 0.00 C ATOM 1356 C ILE A 93 1.444 -0.739 4.577 1.00 0.00 C ATOM 1357 O ILE A 93 1.487 -1.114 5.748 1.00 0.00 O ATOM 1358 CB ILE A 93 3.640 0.323 4.051 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.345 1.593 3.569 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.940 -0.842 3.120 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.772 1.713 4.055 1.00 0.00 C ATOM 0 H ILE A 93 2.454 1.743 5.841 1.00 0.00 H new ATOM 0 HA ILE A 93 1.746 0.850 3.163 1.00 0.00 H new ATOM 0 HB ILE A 93 4.016 0.076 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.338 1.611 2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.781 2.462 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 93 5.018 -0.995 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.464 -1.745 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.553 -0.622 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.209 2.636 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.785 1.727 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.351 0.863 3.696 1.00 0.00 H new ATOM 1373 N LYS A 94 0.820 -1.421 3.622 1.00 0.00 N ATOM 1374 CA LYS A 94 0.136 -2.678 3.902 1.00 0.00 C ATOM 1375 C LYS A 94 0.614 -3.779 2.961 1.00 0.00 C ATOM 1376 O LYS A 94 0.788 -3.552 1.763 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.378 -2.499 3.766 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.017 -1.799 4.954 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.313 -2.773 6.082 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.404 -2.246 7.001 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.747 -3.222 8.072 1.00 0.00 N ATOM 0 H LYS A 94 0.774 -1.124 2.647 1.00 0.00 H new ATOM 0 HA LYS A 94 0.372 -2.971 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.588 -1.927 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.841 -3.477 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.353 -1.014 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.941 -1.315 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.619 -3.732 5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.405 -2.951 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.077 -1.310 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.295 -2.022 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.494 -2.825 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.084 -4.106 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.903 -3.417 8.647 1.00 0.00 H new ATOM 1395 N ILE A 95 0.824 -4.970 3.510 1.00 0.00 N ATOM 1396 CA ILE A 95 1.280 -6.106 2.718 1.00 0.00 C ATOM 1397 C ILE A 95 0.123 -7.040 2.380 1.00 0.00 C ATOM 1398 O ILE A 95 -0.722 -7.332 3.226 1.00 0.00 O ATOM 1399 CB ILE A 95 2.370 -6.905 3.456 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.585 -6.017 3.733 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.774 -8.126 2.643 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.388 -6.451 4.939 1.00 0.00 C ATOM 0 H ILE A 95 0.686 -5.174 4.500 1.00 0.00 H new ATOM 0 HA ILE A 95 1.698 -5.701 1.797 1.00 0.00 H new ATOM 0 HB ILE A 95 1.967 -7.245 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.233 -6.017 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.249 -4.991 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.545 -8.680 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.905 -8.767 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.162 -7.807 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.233 -5.777 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.755 -6.424 5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.755 -7.466 4.786 1.00 0.00 H new ATOM 1414 N PHE A 96 0.091 -7.507 1.136 1.00 0.00 N ATOM 1415 CA PHE A 96 -0.962 -8.409 0.684 1.00 0.00 C ATOM 1416 C PHE A 96 -0.385 -9.764 0.288 1.00 0.00 C ATOM 1417 O PHE A 96 0.541 -9.845 -0.518 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.714 -7.797 -0.499 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.652 -6.691 -0.107 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.162 -5.457 0.291 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.024 -6.885 -0.135 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.022 -4.438 0.653 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -4.888 -5.869 0.225 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.387 -4.644 0.620 1.00 0.00 C ATOM 0 H PHE A 96 0.783 -7.276 0.423 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.657 -8.558 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -0.991 -7.412 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.280 -8.580 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.095 -5.290 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.422 -7.841 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.627 -3.481 0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.955 -6.033 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.061 -3.849 0.902 1.00 0.00 H new ATOM 1434 N GLY A 97 -0.939 -10.828 0.863 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.466 -12.166 0.559 1.00 0.00 C ATOM 1436 C GLY A 97 -1.423 -13.241 1.036 1.00 0.00 C ATOM 1437 O GLY A 97 -2.292 -13.684 0.286 1.00 0.00 O ATOM 0 H GLY A 97 -1.707 -10.787 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.324 -12.262 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.508 -12.318 1.024 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.261 -13.662 2.286 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.117 -14.692 2.861 1.00 0.00 C ATOM 1443 C ALA A 98 -3.588 -14.400 2.585 1.00 0.00 C ATOM 1444 O ALA A 98 -4.258 -15.154 1.881 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.872 -14.805 4.359 1.00 0.00 C ATOM 0 H ALA A 98 -0.545 -13.306 2.919 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.867 -15.643 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.518 -15.578 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.829 -15.068 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.093 -13.851 4.837 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.084 -13.302 3.145 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.477 -12.911 2.960 1.00 0.00 C ATOM 1453 C ASN A 99 -5.575 -11.574 2.233 1.00 0.00 C ATOM 1454 O ASN A 99 -5.391 -10.514 2.831 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.189 -12.823 4.311 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.696 -12.737 4.167 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.253 -13.100 3.131 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.363 -12.256 5.210 1.00 0.00 N ATOM 0 H ASN A 99 -3.542 -12.667 3.731 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.963 -13.673 2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.934 -13.697 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.828 -11.948 4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.379 -12.175 5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.859 -11.967 6.049 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.867 -11.630 0.938 1.00 0.00 N ATOM 1466 CA LYS A 100 -5.992 -10.425 0.127 1.00 0.00 C ATOM 1467 C LYS A 100 -7.053 -9.491 0.701 1.00 0.00 C ATOM 1468 O LYS A 100 -7.050 -8.291 0.429 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.346 -10.789 -1.316 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.146 -11.202 -2.151 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.094 -10.105 -2.195 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.103 -10.329 -3.326 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.165 -11.447 -3.029 1.00 0.00 N ATOM 0 H LYS A 100 -6.022 -12.499 0.427 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.032 -9.909 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.071 -11.603 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.831 -9.935 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.709 -12.111 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.470 -11.437 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.580 -9.138 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.562 -10.072 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.645 -10.545 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.535 -9.415 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.657 -11.713 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.481 -11.144 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.701 -12.266 -2.677 1.00 0.00 H new ATOM 1487 N ASN A 101 -7.959 -10.050 1.498 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.025 -9.266 2.111 1.00 0.00 C ATOM 1489 C ASN A 101 -8.525 -8.554 3.364 1.00 0.00 C ATOM 1490 O ASN A 101 -9.031 -7.494 3.733 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.211 -10.167 2.461 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.206 -10.282 1.323 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.384 -9.959 1.479 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.736 -10.744 0.170 1.00 0.00 N ATOM 0 H ASN A 101 -7.976 -11.042 1.734 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.349 -8.513 1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.845 -11.160 2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.716 -9.772 3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.359 -10.843 -0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -9.752 -11.000 0.086 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.528 -9.144 4.015 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.957 -8.566 5.226 1.00 0.00 C ATOM 1503 C LYS A 102 -5.433 -8.611 5.183 1.00 0.00 C ATOM 1504 O LYS A 102 -4.807 -9.610 5.540 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.466 -9.313 6.461 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.956 -9.605 6.424 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.403 -10.379 7.653 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.675 -11.168 7.382 1.00 0.00 C ATOM 1509 NZ LYS A 102 -11.896 -10.373 7.689 1.00 0.00 N ATOM 0 H LYS A 102 -7.099 -10.022 3.724 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.271 -7.524 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.922 -10.253 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.242 -8.723 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.510 -8.668 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.194 -10.176 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.610 -11.060 7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.571 -9.688 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.696 -11.476 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.673 -12.078 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.742 -10.945 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.889 -10.100 8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.911 -9.518 7.098 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.819 -7.504 4.739 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.361 -7.392 4.641 1.00 0.00 C ATOM 1525 C PRO A 103 -2.692 -7.331 6.010 1.00 0.00 C ATOM 1526 O PRO A 103 -3.365 -7.256 7.037 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.156 -6.076 3.887 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.382 -5.281 4.172 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.502 -6.277 4.297 1.00 0.00 C ATOM 0 HA PRO A 103 -2.918 -8.256 4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.260 -5.559 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.035 -6.247 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.268 -4.704 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.580 -4.569 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.251 -5.951 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.017 -6.424 3.348 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.363 -7.364 6.016 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.604 -7.313 7.260 1.00 0.00 C ATOM 1539 C GLU A 104 -0.037 -5.916 7.495 1.00 0.00 C ATOM 1540 O GLU A 104 0.086 -5.120 6.564 1.00 0.00 O ATOM 1541 CB GLU A 104 0.532 -8.338 7.233 1.00 0.00 C ATOM 1542 CG GLU A 104 0.054 -9.778 7.307 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.096 -10.270 8.734 1.00 0.00 C ATOM 1544 OE1 GLU A 104 0.739 -9.893 9.582 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -1.048 -11.032 9.002 1.00 0.00 O ATOM 0 H GLU A 104 -0.790 -7.426 5.174 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.282 -7.554 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.111 -8.203 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.205 -8.144 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.904 -9.866 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.759 -10.419 6.778 1.00 0.00 H new ATOM 1552 N ASP A 105 0.306 -5.625 8.745 1.00 0.00 N ATOM 1553 CA ASP A 105 0.860 -4.324 9.103 1.00 0.00 C ATOM 1554 C ASP A 105 2.343 -4.251 8.755 1.00 0.00 C ATOM 1555 O ASP A 105 3.168 -4.934 9.364 1.00 0.00 O ATOM 1556 CB ASP A 105 0.659 -4.054 10.595 1.00 0.00 C ATOM 1557 CG ASP A 105 0.934 -5.277 11.447 1.00 0.00 C ATOM 1558 OD1 ASP A 105 0.071 -6.180 11.486 1.00 0.00 O ATOM 1559 OD2 ASP A 105 2.012 -5.333 12.074 1.00 0.00 O ATOM 0 H ASP A 105 0.210 -6.272 9.527 1.00 0.00 H new ATOM 0 HA ASP A 105 0.333 -3.561 8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.317 -3.243 10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -0.364 -3.718 10.766 1.00 0.00 H new ATOM 1564 N TYR A 106 2.675 -3.421 7.773 1.00 0.00 N ATOM 1565 CA TYR A 106 4.059 -3.262 7.342 1.00 0.00 C ATOM 1566 C TYR A 106 4.921 -2.708 8.472 1.00 0.00 C ATOM 1567 O TYR A 106 4.963 -1.499 8.700 1.00 0.00 O ATOM 1568 CB TYR A 106 4.133 -2.334 6.128 1.00 0.00 C ATOM 1569 CG TYR A 106 5.513 -2.247 5.516 1.00 0.00 C ATOM 1570 CD1 TYR A 106 5.935 -3.172 4.569 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.395 -1.238 5.884 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.195 -3.096 4.008 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.657 -1.154 5.328 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.052 -2.085 4.391 1.00 0.00 C ATOM 1575 OH TYR A 106 9.308 -2.006 3.833 1.00 0.00 O ATOM 0 H TYR A 106 2.005 -2.848 7.260 1.00 0.00 H new ATOM 0 HA TYR A 106 4.442 -4.244 7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.430 -2.683 5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.812 -1.335 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.266 -3.964 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 106 6.089 -0.507 6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.507 -3.824 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 106 8.330 -0.364 5.626 1.00 0.00 H new ATOM 0 HH TYR A 106 9.785 -1.237 4.209 1.00 0.00 H new ATOM 1654 N GLY A 112 13.212 2.404 -0.033 1.00 0.00 N ATOM 1655 CA GLY A 112 13.378 1.658 -1.267 1.00 0.00 C ATOM 1656 C GLY A 112 14.209 0.404 -1.079 1.00 0.00 C ATOM 1657 O GLY A 112 13.988 -0.601 -1.754 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.398 1.385 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.852 2.296 -2.013 1.00 0.00 H new ATOM 1661 N GLU A 113 15.168 0.464 -0.161 1.00 0.00 N ATOM 1662 CA GLU A 113 16.036 -0.676 0.111 1.00 0.00 C ATOM 1663 C GLU A 113 15.337 -1.690 1.011 1.00 0.00 C ATOM 1664 O GLU A 113 15.083 -2.824 0.606 1.00 0.00 O ATOM 1665 CB GLU A 113 17.338 -0.209 0.765 1.00 0.00 C ATOM 1666 CG GLU A 113 17.728 1.213 0.398 1.00 0.00 C ATOM 1667 CD GLU A 113 19.229 1.429 0.416 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.872 1.202 -0.630 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.760 1.825 1.474 1.00 0.00 O ATOM 0 H GLU A 113 15.364 1.289 0.406 1.00 0.00 H new ATOM 0 HA GLU A 113 16.267 -1.158 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.237 -0.281 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.143 -0.884 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.343 1.447 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.256 1.906 1.094 1.00 0.00 H new ATOM 1676 N ALA A 114 15.029 -1.273 2.235 1.00 0.00 N ATOM 1677 CA ALA A 114 14.358 -2.144 3.193 1.00 0.00 C ATOM 1678 C ALA A 114 13.134 -2.806 2.569 1.00 0.00 C ATOM 1679 O ALA A 114 12.948 -4.018 2.681 1.00 0.00 O ATOM 1680 CB ALA A 114 13.961 -1.357 4.433 1.00 0.00 C ATOM 0 H ALA A 114 15.233 -0.338 2.587 1.00 0.00 H new ATOM 0 HA ALA A 114 15.055 -2.930 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.461 -2.019 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.853 -0.937 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.284 -0.550 4.151 1.00 0.00 H new ATOM 1686 N ILE A 115 12.303 -2.002 1.914 1.00 0.00 N ATOM 1687 CA ILE A 115 11.097 -2.511 1.273 1.00 0.00 C ATOM 1688 C ILE A 115 11.407 -3.725 0.403 1.00 0.00 C ATOM 1689 O ILE A 115 10.710 -4.738 0.461 1.00 0.00 O ATOM 1690 CB ILE A 115 10.422 -1.432 0.406 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.124 -0.187 1.244 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.145 -1.976 -0.217 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.107 1.093 0.439 1.00 0.00 C ATOM 0 H ILE A 115 12.443 -0.997 1.813 1.00 0.00 H new ATOM 0 HA ILE A 115 10.415 -2.803 2.071 1.00 0.00 H new ATOM 0 HB ILE A 115 11.104 -1.152 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.158 -0.311 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.873 -0.101 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.679 -1.202 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.383 -2.836 -0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.456 -2.280 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.890 1.934 1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.080 1.241 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.339 1.028 -0.332 1.00 0.00 H new ATOM 1705 N VAL A 116 12.459 -3.616 -0.402 1.00 0.00 N ATOM 1706 CA VAL A 116 12.864 -4.706 -1.282 1.00 0.00 C ATOM 1707 C VAL A 116 13.054 -6.001 -0.501 1.00 0.00 C ATOM 1708 O VAL A 116 12.723 -7.084 -0.985 1.00 0.00 O ATOM 1709 CB VAL A 116 14.171 -4.370 -2.025 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.797 -5.632 -2.600 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.913 -3.347 -3.121 1.00 0.00 C ATOM 0 H VAL A 116 13.046 -2.784 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 116 12.064 -4.839 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 116 14.873 -3.936 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.719 -5.376 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 116 15.019 -6.329 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.102 -6.097 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.847 -3.121 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.195 -3.751 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.512 -2.434 -2.680 1.00 0.00 H new ATOM 1721 N ASP A 117 13.590 -5.883 0.709 1.00 0.00 N ATOM 1722 CA ASP A 117 13.823 -7.045 1.558 1.00 0.00 C ATOM 1723 C ASP A 117 12.530 -7.495 2.231 1.00 0.00 C ATOM 1724 O ASP A 117 12.280 -8.690 2.380 1.00 0.00 O ATOM 1725 CB ASP A 117 14.879 -6.724 2.618 1.00 0.00 C ATOM 1726 CG ASP A 117 15.600 -7.964 3.110 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.916 -8.918 3.538 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.847 -7.981 3.066 1.00 0.00 O ATOM 0 H ASP A 117 13.871 -4.994 1.124 1.00 0.00 H new ATOM 0 HA ASP A 117 14.185 -7.858 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.605 -6.025 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.403 -6.225 3.462 1.00 0.00 H new ATOM 1733 N ALA A 118 11.712 -6.528 2.636 1.00 0.00 N ATOM 1734 CA ALA A 118 10.445 -6.825 3.292 1.00 0.00 C ATOM 1735 C ALA A 118 9.502 -7.570 2.353 1.00 0.00 C ATOM 1736 O ALA A 118 8.896 -8.571 2.733 1.00 0.00 O ATOM 1737 CB ALA A 118 9.794 -5.542 3.787 1.00 0.00 C ATOM 0 H ALA A 118 11.905 -5.533 2.521 1.00 0.00 H new ATOM 0 HA ALA A 118 10.649 -7.470 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.848 -5.779 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.456 -5.049 4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.610 -4.878 2.942 1.00 0.00 H new ATOM 1743 N ALA A 119 9.383 -7.075 1.125 1.00 0.00 N ATOM 1744 CA ALA A 119 8.515 -7.695 0.132 1.00 0.00 C ATOM 1745 C ALA A 119 8.918 -9.144 -0.121 1.00 0.00 C ATOM 1746 O ALA A 119 8.075 -10.042 -0.122 1.00 0.00 O ATOM 1747 CB ALA A 119 8.548 -6.902 -1.166 1.00 0.00 C ATOM 0 H ALA A 119 9.877 -6.246 0.794 1.00 0.00 H new ATOM 0 HA ALA A 119 7.497 -7.691 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.895 -7.376 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.205 -5.884 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.567 -6.876 -1.551 1.00 0.00 H new ATOM 1753 N LEU A 120 10.211 -9.365 -0.335 1.00 0.00 N ATOM 1754 CA LEU A 120 10.726 -10.706 -0.590 1.00 0.00 C ATOM 1755 C LEU A 120 10.447 -11.630 0.591 1.00 0.00 C ATOM 1756 O LEU A 120 9.864 -12.702 0.430 1.00 0.00 O ATOM 1757 CB LEU A 120 12.229 -10.652 -0.866 1.00 0.00 C ATOM 1758 CG LEU A 120 12.654 -9.893 -2.124 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.063 -9.345 -1.966 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.564 -10.795 -3.346 1.00 0.00 C ATOM 0 H LEU A 120 10.921 -8.633 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 120 10.216 -11.104 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.720 -10.195 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.602 -11.674 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 120 11.974 -9.053 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.348 -8.808 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.096 -8.665 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.757 -10.169 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.870 -10.239 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.220 -11.655 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.537 -11.138 -3.470 1.00 0.00 H new ATOM 1772 N SER A 121 10.865 -11.206 1.780 1.00 0.00 N ATOM 1773 CA SER A 121 10.661 -11.996 2.988 1.00 0.00 C ATOM 1774 C SER A 121 9.217 -12.477 3.086 1.00 0.00 C ATOM 1775 O SER A 121 8.950 -13.584 3.553 1.00 0.00 O ATOM 1776 CB SER A 121 11.022 -11.173 4.227 1.00 0.00 C ATOM 1777 OG SER A 121 11.436 -12.011 5.292 1.00 0.00 O ATOM 0 H SER A 121 11.347 -10.320 1.932 1.00 0.00 H new ATOM 0 HA SER A 121 11.313 -12.868 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.819 -10.471 3.982 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.161 -10.582 4.539 1.00 0.00 H new ATOM 0 HG SER A 121 11.663 -11.462 6.071 1.00 0.00 H new ATOM 1783 N ALA A 122 8.288 -11.636 2.642 1.00 0.00 N ATOM 1784 CA ALA A 122 6.871 -11.976 2.677 1.00 0.00 C ATOM 1785 C ALA A 122 6.489 -12.861 1.496 1.00 0.00 C ATOM 1786 O ALA A 122 5.647 -13.751 1.621 1.00 0.00 O ATOM 1787 CB ALA A 122 6.026 -10.711 2.686 1.00 0.00 C ATOM 0 H ALA A 122 8.491 -10.715 2.254 1.00 0.00 H new ATOM 0 HA ALA A 122 6.679 -12.535 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.970 -10.979 2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.271 -10.116 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.231 -10.130 1.787 1.00 0.00 H new