USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 887 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 121 LYS NZ :NH3+ 152:sc= 0.152 (180deg=-0.0179) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 GLN : amide:sc= -1.62! K(o=-9.9!,f=-7) USER MOD Set 2.2: A 86 GLN : amide:sc= -8.24! C(o=-9.9!,f=-7!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ 168:sc= 1 (180deg=1.41) USER MOD Set 3.2: A 78 THR OG1 : rot -45:sc= 0.366 USER MOD Set 3.3: A 81 GLN : amide:sc= 0.236 K(o=1.6,f=-3.7!) USER MOD Set 4.1: A 46 ASN : amide:sc= -6.63! C(o=-5.5!,f=-5.4!) USER MOD Set 4.2: A 59 HIS : no HD1:sc= 0.143 K(o=-5.5,f=-7.1) USER MOD Set 4.3: A 67 SER OG : rot -151:sc= 0.939 USER MOD Set 5.1: A 32 CYS SG : rot 161:sc= -0.843 USER MOD Set 5.2: A 35 CYS SG : rot -45:sc= -2.21! USER MOD Set 5.3: A 52 CYS SG : rot -132:sc= 1.7 USER MOD Set 5.4: A 55 CYS SG : rot 90:sc= -0.707 USER MOD Single : A 16 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=-0.5) USER MOD Single : A 17 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.28) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.45 K(o=-2.4,f=-7.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0129 (180deg=-0.157) USER MOD Single : A 44 SER OG : rot -66:sc= 0.293 USER MOD Single : A 61 ASN : amide:sc= -0.411 K(o=-0.41,f=-2.5!) USER MOD Single : A 65 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-4.9!) USER MOD Single : A 71 SER OG : rot 16:sc= -0.385 USER MOD Single : A 73 ASN : amide:sc= -2.92! C(o=-2.9!,f=-2.2!) USER MOD Single : A 76 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.54) USER MOD Single : A 84 CYS SG : rot 91:sc= 0.26 USER MOD Single : A 85 MET CE :methyl -117:sc= -3.96 (180deg=-4.44!) USER MOD Single : A 88 MET CE :methyl 143:sc= -1.14 (180deg=-2.79!) USER MOD Single : A 90 ASN : amide:sc= -0.31 K(o=-0.31,f=-6.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0685) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.082) USER MOD Single : A 109 GLN : amide:sc= -0.587 K(o=-0.59,f=-0.013) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0969) USER MOD Single : A 125 LYS NZ :NH3+ -121:sc= -0.0147 (180deg=-0.92) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.676 -2.331 8.225 1.00 0.00 N ATOM 203 CA HIS A 16 -9.296 -2.197 7.773 1.00 0.00 C ATOM 204 C HIS A 16 -8.588 -3.549 7.781 1.00 0.00 C ATOM 205 O HIS A 16 -8.129 -4.024 6.743 1.00 0.00 O ATOM 206 CB HIS A 16 -8.540 -1.207 8.659 1.00 0.00 C ATOM 207 CG HIS A 16 -9.368 -0.035 9.089 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.643 1.035 8.263 1.00 0.00 N ATOM 209 CD2 HIS A 16 -9.982 0.231 10.265 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.390 1.909 8.914 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.611 1.445 10.131 1.00 0.00 N ATOM 0 HA HIS A 16 -9.310 -1.820 6.750 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.176 -1.729 9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.665 -0.845 8.120 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.978 -0.395 11.145 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.758 2.844 8.518 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.159 1.912 10.853 1.00 0.00 H new ATOM 219 N GLN A 17 -8.505 -4.161 8.958 1.00 0.00 N ATOM 220 CA GLN A 17 -7.852 -5.456 9.100 1.00 0.00 C ATOM 221 C GLN A 17 -8.044 -6.303 7.846 1.00 0.00 C ATOM 222 O GLN A 17 -7.087 -6.590 7.125 1.00 0.00 O ATOM 223 CB GLN A 17 -8.402 -6.197 10.320 1.00 0.00 C ATOM 224 CG GLN A 17 -8.334 -5.389 11.605 1.00 0.00 C ATOM 225 CD GLN A 17 -7.047 -4.596 11.728 1.00 0.00 C ATOM 226 OE1 GLN A 17 -7.050 -3.368 11.640 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.938 -5.296 11.934 1.00 0.00 N ATOM 0 H GLN A 17 -8.882 -3.781 9.826 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.785 -5.283 9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.439 -6.474 10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.844 -7.124 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.183 -4.706 11.646 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.425 -6.062 12.458 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.982 -6.313 12.000 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.042 -4.817 12.026 1.00 0.00 H new ATOM 236 N LEU A 18 -9.285 -6.702 7.592 1.00 0.00 N ATOM 237 CA LEU A 18 -9.604 -7.517 6.425 1.00 0.00 C ATOM 238 C LEU A 18 -8.876 -7.003 5.187 1.00 0.00 C ATOM 239 O LEU A 18 -8.193 -7.760 4.497 1.00 0.00 O ATOM 240 CB LEU A 18 -11.113 -7.522 6.178 1.00 0.00 C ATOM 241 CG LEU A 18 -11.654 -8.690 5.353 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.427 -10.007 6.079 1.00 0.00 C ATOM 243 CD2 LEU A 18 -13.133 -8.492 5.055 1.00 0.00 C ATOM 0 H LEU A 18 -10.088 -6.474 8.179 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.272 -8.536 6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.619 -7.520 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.382 -6.593 5.675 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.114 -8.722 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.819 -10.827 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.359 -10.154 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.940 -9.986 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.501 -9.333 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.688 -8.433 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.270 -7.568 4.493 1.00 0.00 H new ATOM 255 N ILE A 19 -9.026 -5.711 4.913 1.00 0.00 N ATOM 256 CA ILE A 19 -8.380 -5.095 3.760 1.00 0.00 C ATOM 257 C ILE A 19 -6.905 -5.474 3.689 1.00 0.00 C ATOM 258 O ILE A 19 -6.471 -6.157 2.760 1.00 0.00 O ATOM 259 CB ILE A 19 -8.504 -3.561 3.799 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.977 -3.145 3.784 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.761 -2.940 2.625 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.207 -1.721 4.239 1.00 0.00 C ATOM 0 H ILE A 19 -9.589 -5.071 5.473 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.891 -5.470 2.873 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.053 -3.198 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.369 -3.263 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.543 -3.819 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.858 -1.855 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.707 -3.213 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.186 -3.307 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.273 -1.495 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.845 -1.602 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.669 -1.038 3.582 1.00 0.00 H new ATOM 274 N LEU A 20 -6.137 -5.027 4.677 1.00 0.00 N ATOM 275 CA LEU A 20 -4.709 -5.320 4.729 1.00 0.00 C ATOM 276 C LEU A 20 -4.441 -6.784 4.394 1.00 0.00 C ATOM 277 O LEU A 20 -3.589 -7.095 3.562 1.00 0.00 O ATOM 278 CB LEU A 20 -4.151 -4.991 6.115 1.00 0.00 C ATOM 279 CG LEU A 20 -4.277 -3.535 6.562 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.354 -3.446 8.078 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.110 -2.712 6.036 1.00 0.00 C ATOM 0 H LEU A 20 -6.479 -4.460 5.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.208 -4.699 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.658 -5.620 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.096 -5.266 6.134 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.199 -3.127 6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.443 -2.402 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.223 -4.000 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.450 -3.872 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.217 -1.678 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.175 -3.120 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.101 -2.748 4.947 1.00 0.00 H new ATOM 293 N SER A 21 -5.176 -7.679 5.047 1.00 0.00 N ATOM 294 CA SER A 21 -5.017 -9.110 4.819 1.00 0.00 C ATOM 295 C SER A 21 -5.362 -9.473 3.378 1.00 0.00 C ATOM 296 O SER A 21 -4.713 -10.322 2.766 1.00 0.00 O ATOM 297 CB SER A 21 -5.902 -9.903 5.783 1.00 0.00 C ATOM 298 OG SER A 21 -5.988 -11.263 5.395 1.00 0.00 O ATOM 0 H SER A 21 -5.887 -7.438 5.738 1.00 0.00 H new ATOM 0 HA SER A 21 -3.973 -9.368 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.497 -9.835 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.900 -9.465 5.809 1.00 0.00 H new ATOM 0 HG SER A 21 -6.558 -11.748 6.028 1.00 0.00 H new ATOM 304 N LYS A 22 -6.390 -8.825 2.842 1.00 0.00 N ATOM 305 CA LYS A 22 -6.824 -9.076 1.473 1.00 0.00 C ATOM 306 C LYS A 22 -5.708 -8.761 0.482 1.00 0.00 C ATOM 307 O LYS A 22 -5.505 -9.488 -0.492 1.00 0.00 O ATOM 308 CB LYS A 22 -8.062 -8.238 1.146 1.00 0.00 C ATOM 309 CG LYS A 22 -9.370 -8.916 1.515 1.00 0.00 C ATOM 310 CD LYS A 22 -10.538 -8.335 0.735 1.00 0.00 C ATOM 311 CE LYS A 22 -11.844 -9.031 1.087 1.00 0.00 C ATOM 312 NZ LYS A 22 -13.028 -8.192 0.751 1.00 0.00 N ATOM 0 H LYS A 22 -6.939 -8.121 3.335 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.075 -10.133 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.995 -7.286 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.067 -8.013 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.295 -9.985 1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.552 -8.801 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.624 -7.269 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.348 -8.434 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.906 -9.978 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.855 -9.265 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.898 -8.701 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.982 -7.298 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.032 -7.989 -0.269 1.00 0.00 H new ATOM 326 N LEU A 23 -4.986 -7.676 0.736 1.00 0.00 N ATOM 327 CA LEU A 23 -3.888 -7.265 -0.133 1.00 0.00 C ATOM 328 C LEU A 23 -2.786 -8.320 -0.152 1.00 0.00 C ATOM 329 O LEU A 23 -2.339 -8.746 -1.218 1.00 0.00 O ATOM 330 CB LEU A 23 -3.318 -5.924 0.331 1.00 0.00 C ATOM 331 CG LEU A 23 -4.340 -4.820 0.609 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.651 -3.580 1.154 1.00 0.00 C ATOM 333 CD2 LEU A 23 -5.121 -4.487 -0.654 1.00 0.00 C ATOM 0 H LEU A 23 -5.141 -7.064 1.537 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.279 -7.155 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.739 -6.093 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.623 -5.565 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.041 -5.181 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.394 -2.806 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.137 -3.828 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.927 -3.216 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.843 -3.700 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.433 -4.146 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.646 -5.376 -1.002 1.00 0.00 H new ATOM 345 N LEU A 24 -2.353 -8.738 1.032 1.00 0.00 N ATOM 346 CA LEU A 24 -1.304 -9.744 1.152 1.00 0.00 C ATOM 347 C LEU A 24 -1.630 -10.972 0.308 1.00 0.00 C ATOM 348 O LEU A 24 -0.775 -11.485 -0.414 1.00 0.00 O ATOM 349 CB LEU A 24 -1.125 -10.151 2.616 1.00 0.00 C ATOM 350 CG LEU A 24 -0.472 -9.110 3.526 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.649 -9.492 4.987 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.004 -8.957 3.188 1.00 0.00 C ATOM 0 H LEU A 24 -2.712 -8.396 1.923 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.374 -9.309 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.104 -10.400 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.525 -11.061 2.649 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.964 -8.151 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.178 -8.740 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.712 -9.550 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.184 -10.461 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.453 -8.212 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.510 -9.913 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.109 -8.636 2.152 1.00 0.00 H new ATOM 364 N ARG A 25 -2.871 -11.438 0.403 1.00 0.00 N ATOM 365 CA ARG A 25 -3.309 -12.605 -0.353 1.00 0.00 C ATOM 366 C ARG A 25 -2.817 -12.535 -1.796 1.00 0.00 C ATOM 367 O ARG A 25 -2.391 -13.539 -2.365 1.00 0.00 O ATOM 368 CB ARG A 25 -4.835 -12.711 -0.329 1.00 0.00 C ATOM 369 CG ARG A 25 -5.390 -13.220 0.991 1.00 0.00 C ATOM 370 CD ARG A 25 -6.780 -13.811 0.821 1.00 0.00 C ATOM 371 NE ARG A 25 -6.758 -15.046 0.041 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.762 -15.445 -0.731 1.00 0.00 C ATOM 373 NH1 ARG A 25 -8.862 -14.711 -0.826 1.00 0.00 N ATOM 374 NH2 ARG A 25 -7.667 -16.582 -1.410 1.00 0.00 N ATOM 0 H ARG A 25 -3.591 -11.025 0.996 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.882 -13.491 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.262 -11.730 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.157 -13.377 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.720 -13.976 1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.427 -12.402 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.212 -14.009 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.426 -13.083 0.330 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.926 -15.634 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.939 -13.837 -0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.632 -15.020 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.822 -17.150 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.439 -16.888 -2.003 1.00 0.00 H new ATOM 388 N GLU A 26 -2.878 -11.342 -2.380 1.00 0.00 N ATOM 389 CA GLU A 26 -2.440 -11.143 -3.756 1.00 0.00 C ATOM 390 C GLU A 26 -0.953 -11.453 -3.903 1.00 0.00 C ATOM 391 O GLU A 26 -0.129 -10.979 -3.122 1.00 0.00 O ATOM 392 CB GLU A 26 -2.718 -9.706 -4.200 1.00 0.00 C ATOM 393 CG GLU A 26 -4.197 -9.388 -4.342 1.00 0.00 C ATOM 394 CD GLU A 26 -4.903 -10.316 -5.312 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.426 -10.449 -6.459 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.932 -10.908 -4.924 1.00 0.00 O ATOM 0 H GLU A 26 -3.226 -10.500 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.002 -11.827 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.275 -9.020 -3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.223 -9.528 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.675 -9.458 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.313 -8.358 -4.681 1.00 0.00 H new ATOM 403 N GLU A 27 -0.618 -12.254 -4.911 1.00 0.00 N ATOM 404 CA GLU A 27 0.769 -12.629 -5.159 1.00 0.00 C ATOM 405 C GLU A 27 1.682 -11.407 -5.098 1.00 0.00 C ATOM 406 O GLU A 27 2.840 -11.505 -4.692 1.00 0.00 O ATOM 407 CB GLU A 27 0.900 -13.309 -6.524 1.00 0.00 C ATOM 408 CG GLU A 27 0.569 -12.397 -7.693 1.00 0.00 C ATOM 409 CD GLU A 27 1.772 -11.613 -8.180 1.00 0.00 C ATOM 410 OE1 GLU A 27 2.757 -11.505 -7.421 1.00 0.00 O ATOM 411 OE2 GLU A 27 1.727 -11.106 -9.321 1.00 0.00 O ATOM 0 H GLU A 27 -1.288 -12.655 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 27 1.074 -13.329 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.919 -13.679 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.241 -14.177 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.173 -12.994 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.217 -11.702 -7.396 1.00 0.00 H new ATOM 418 N ASP A 28 1.152 -10.259 -5.505 1.00 0.00 N ATOM 419 CA ASP A 28 1.918 -9.018 -5.496 1.00 0.00 C ATOM 420 C ASP A 28 2.375 -8.672 -4.083 1.00 0.00 C ATOM 421 O ASP A 28 3.484 -8.177 -3.882 1.00 0.00 O ATOM 422 CB ASP A 28 1.081 -7.873 -6.070 1.00 0.00 C ATOM 423 CG ASP A 28 0.526 -8.194 -7.443 1.00 0.00 C ATOM 424 OD1 ASP A 28 1.296 -8.131 -8.425 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.679 -8.509 -7.537 1.00 0.00 O ATOM 0 H ASP A 28 0.195 -10.162 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 28 2.801 -9.160 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.257 -7.653 -5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.694 -6.974 -6.130 1.00 0.00 H new ATOM 430 N ASN A 29 1.513 -8.934 -3.106 1.00 0.00 N ATOM 431 CA ASN A 29 1.828 -8.649 -1.711 1.00 0.00 C ATOM 432 C ASN A 29 1.926 -9.938 -0.901 1.00 0.00 C ATOM 433 O ASN A 29 1.726 -9.937 0.314 1.00 0.00 O ATOM 434 CB ASN A 29 0.765 -7.731 -1.104 1.00 0.00 C ATOM 435 CG ASN A 29 0.589 -6.448 -1.893 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.241 -6.242 -2.918 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.295 -5.578 -1.419 1.00 0.00 N ATOM 0 H ASN A 29 0.591 -9.343 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 29 2.795 -8.146 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.187 -8.261 -1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.042 -7.488 -0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.456 -4.697 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.813 -5.790 -0.566 1.00 0.00 H new ATOM 444 N LYS A 30 2.237 -11.036 -1.581 1.00 0.00 N ATOM 445 CA LYS A 30 2.365 -12.332 -0.926 1.00 0.00 C ATOM 446 C LYS A 30 3.737 -12.481 -0.277 1.00 0.00 C ATOM 447 O LYS A 30 3.884 -13.166 0.735 1.00 0.00 O ATOM 448 CB LYS A 30 2.141 -13.460 -1.935 1.00 0.00 C ATOM 449 CG LYS A 30 0.695 -13.918 -2.026 1.00 0.00 C ATOM 450 CD LYS A 30 0.585 -15.293 -2.662 1.00 0.00 C ATOM 451 CE LYS A 30 -0.841 -15.820 -2.605 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.897 -17.294 -2.816 1.00 0.00 N ATOM 0 H LYS A 30 2.405 -11.054 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 30 1.606 -12.394 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.470 -13.126 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.766 -14.310 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.256 -13.941 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.121 -13.199 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.914 -15.243 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.251 -15.987 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.280 -15.575 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.443 -15.321 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.885 -17.614 -2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.501 -17.526 -3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.344 -17.772 -2.076 1.00 0.00 H new ATOM 466 N TYR A 31 4.737 -11.834 -0.864 1.00 0.00 N ATOM 467 CA TYR A 31 6.098 -11.896 -0.343 1.00 0.00 C ATOM 468 C TYR A 31 6.642 -10.496 -0.073 1.00 0.00 C ATOM 469 O TYR A 31 6.070 -9.499 -0.515 1.00 0.00 O ATOM 470 CB TYR A 31 7.011 -12.629 -1.327 1.00 0.00 C ATOM 471 CG TYR A 31 6.397 -13.887 -1.900 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.542 -15.110 -1.255 1.00 0.00 C ATOM 473 CD2 TYR A 31 5.674 -13.853 -3.086 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.984 -16.262 -1.775 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.112 -15.000 -3.612 1.00 0.00 C ATOM 476 CZ TYR A 31 5.269 -16.201 -2.954 1.00 0.00 C ATOM 477 OH TYR A 31 4.711 -17.346 -3.476 1.00 0.00 O ATOM 0 H TYR A 31 4.631 -11.260 -1.701 1.00 0.00 H new ATOM 0 HA TYR A 31 6.075 -12.445 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.267 -11.955 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.943 -12.886 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.100 -15.160 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.549 -12.914 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.107 -17.204 -1.262 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.552 -14.956 -4.535 1.00 0.00 H new ATOM 0 HH TYR A 31 4.240 -17.131 -4.308 1.00 0.00 H new ATOM 487 N CYS A 32 7.751 -10.430 0.655 1.00 0.00 N ATOM 488 CA CYS A 32 8.375 -9.155 0.985 1.00 0.00 C ATOM 489 C CYS A 32 8.730 -8.379 -0.281 1.00 0.00 C ATOM 490 O CYS A 32 8.720 -8.930 -1.382 1.00 0.00 O ATOM 491 CB CYS A 32 9.632 -9.380 1.827 1.00 0.00 C ATOM 492 SG CYS A 32 10.265 -7.876 2.636 1.00 0.00 S ATOM 0 H CYS A 32 8.237 -11.246 1.028 1.00 0.00 H new ATOM 0 HA CYS A 32 7.660 -8.568 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.416 -10.127 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.414 -9.793 1.190 1.00 0.00 H new ATOM 0 HG CYS A 32 11.050 -8.209 3.617 1.00 0.00 H new ATOM 497 N ALA A 33 9.044 -7.098 -0.115 1.00 0.00 N ATOM 498 CA ALA A 33 9.404 -6.248 -1.243 1.00 0.00 C ATOM 499 C ALA A 33 10.918 -6.120 -1.372 1.00 0.00 C ATOM 500 O ALA A 33 11.422 -5.538 -2.333 1.00 0.00 O ATOM 501 CB ALA A 33 8.767 -4.875 -1.093 1.00 0.00 C ATOM 0 H ALA A 33 9.056 -6.627 0.789 1.00 0.00 H new ATOM 0 HA ALA A 33 9.026 -6.714 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.044 -4.251 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.683 -4.979 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.117 -4.410 -0.171 1.00 0.00 H new ATOM 507 N ASP A 34 11.638 -6.665 -0.398 1.00 0.00 N ATOM 508 CA ASP A 34 13.096 -6.612 -0.403 1.00 0.00 C ATOM 509 C ASP A 34 13.691 -8.015 -0.450 1.00 0.00 C ATOM 510 O ASP A 34 14.554 -8.308 -1.278 1.00 0.00 O ATOM 511 CB ASP A 34 13.604 -5.870 0.834 1.00 0.00 C ATOM 512 CG ASP A 34 12.797 -4.622 1.134 1.00 0.00 C ATOM 513 OD1 ASP A 34 11.578 -4.748 1.372 1.00 0.00 O ATOM 514 OD2 ASP A 34 13.384 -3.520 1.129 1.00 0.00 O ATOM 0 H ASP A 34 11.236 -7.149 0.405 1.00 0.00 H new ATOM 0 HA ASP A 34 13.412 -6.073 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.568 -6.538 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.649 -5.597 0.686 1.00 0.00 H new ATOM 519 N CYS A 35 13.224 -8.880 0.444 1.00 0.00 N ATOM 520 CA CYS A 35 13.711 -10.253 0.507 1.00 0.00 C ATOM 521 C CYS A 35 12.631 -11.234 0.059 1.00 0.00 C ATOM 522 O CYS A 35 12.764 -12.444 0.240 1.00 0.00 O ATOM 523 CB CYS A 35 14.164 -10.592 1.928 1.00 0.00 C ATOM 524 SG CYS A 35 12.799 -10.768 3.122 1.00 0.00 S ATOM 0 H CYS A 35 12.509 -8.654 1.135 1.00 0.00 H new ATOM 0 HA CYS A 35 14.562 -10.341 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.734 -11.521 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.840 -9.812 2.278 1.00 0.00 H new ATOM 0 HG CYS A 35 11.951 -9.796 2.958 1.00 0.00 H new ATOM 529 N GLU A 36 11.563 -10.702 -0.527 1.00 0.00 N ATOM 530 CA GLU A 36 10.460 -11.530 -1.001 1.00 0.00 C ATOM 531 C GLU A 36 10.236 -12.721 -0.072 1.00 0.00 C ATOM 532 O GLU A 36 9.914 -13.820 -0.522 1.00 0.00 O ATOM 533 CB GLU A 36 10.737 -12.024 -2.422 1.00 0.00 C ATOM 534 CG GLU A 36 10.603 -10.940 -3.479 1.00 0.00 C ATOM 535 CD GLU A 36 9.198 -10.844 -4.041 1.00 0.00 C ATOM 536 OE1 GLU A 36 8.291 -10.413 -3.298 1.00 0.00 O ATOM 537 OE2 GLU A 36 9.005 -11.198 -5.223 1.00 0.00 O ATOM 0 H GLU A 36 11.438 -9.702 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 36 9.557 -10.919 -1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.744 -12.438 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.048 -12.836 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.884 -9.980 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.302 -11.141 -4.291 1.00 0.00 H new ATOM 544 N ALA A 37 10.410 -12.492 1.226 1.00 0.00 N ATOM 545 CA ALA A 37 10.225 -13.544 2.218 1.00 0.00 C ATOM 546 C ALA A 37 8.842 -14.175 2.098 1.00 0.00 C ATOM 547 O ALA A 37 7.933 -13.595 1.505 1.00 0.00 O ATOM 548 CB ALA A 37 10.436 -12.990 3.619 1.00 0.00 C ATOM 0 H ALA A 37 10.679 -11.588 1.615 1.00 0.00 H new ATOM 0 HA ALA A 37 10.966 -14.321 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.295 -13.786 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.448 -12.594 3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.717 -12.193 3.807 1.00 0.00 H new ATOM 554 N LYS A 38 8.691 -15.367 2.665 1.00 0.00 N ATOM 555 CA LYS A 38 7.418 -16.078 2.623 1.00 0.00 C ATOM 556 C LYS A 38 6.563 -15.735 3.838 1.00 0.00 C ATOM 557 O LYS A 38 6.839 -16.182 4.951 1.00 0.00 O ATOM 558 CB LYS A 38 7.656 -17.589 2.565 1.00 0.00 C ATOM 559 CG LYS A 38 7.885 -18.114 1.158 1.00 0.00 C ATOM 560 CD LYS A 38 7.908 -19.633 1.127 1.00 0.00 C ATOM 561 CE LYS A 38 6.502 -20.213 1.166 1.00 0.00 C ATOM 562 NZ LYS A 38 5.780 -20.003 -0.120 1.00 0.00 N ATOM 0 H LYS A 38 9.434 -15.861 3.159 1.00 0.00 H new ATOM 0 HA LYS A 38 6.885 -15.765 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.520 -17.836 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.797 -18.101 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.098 -17.748 0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.828 -17.727 0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.418 -19.972 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.481 -20.007 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.555 -21.280 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.941 -19.750 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.942 -20.618 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.483 -19.009 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.410 -20.235 -0.914 1.00 0.00 H new ATOM 576 N GLY A 39 5.521 -14.938 3.618 1.00 0.00 N ATOM 577 CA GLY A 39 4.641 -14.550 4.704 1.00 0.00 C ATOM 578 C GLY A 39 5.025 -13.216 5.312 1.00 0.00 C ATOM 579 O GLY A 39 5.311 -13.113 6.506 1.00 0.00 O ATOM 0 H GLY A 39 5.271 -14.554 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.616 -14.497 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.663 -15.318 5.477 1.00 0.00 H new ATOM 583 N PRO A 40 5.036 -12.163 4.481 1.00 0.00 N ATOM 584 CA PRO A 40 5.388 -10.810 4.922 1.00 0.00 C ATOM 585 C PRO A 40 4.326 -10.203 5.834 1.00 0.00 C ATOM 586 O PRO A 40 3.498 -9.406 5.392 1.00 0.00 O ATOM 587 CB PRO A 40 5.481 -10.023 3.613 1.00 0.00 C ATOM 588 CG PRO A 40 4.604 -10.762 2.663 1.00 0.00 C ATOM 589 CD PRO A 40 4.707 -12.212 3.047 1.00 0.00 C ATOM 0 HA PRO A 40 6.307 -10.799 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.144 -8.995 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.508 -9.978 3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.574 -10.413 2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.926 -10.607 1.633 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.772 -12.743 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.480 -12.725 2.475 1.00 0.00 H new ATOM 597 N ARG A 41 4.357 -10.585 7.106 1.00 0.00 N ATOM 598 CA ARG A 41 3.396 -10.079 8.079 1.00 0.00 C ATOM 599 C ARG A 41 3.458 -8.557 8.163 1.00 0.00 C ATOM 600 O ARG A 41 2.605 -7.860 7.614 1.00 0.00 O ATOM 601 CB ARG A 41 3.665 -10.687 9.457 1.00 0.00 C ATOM 602 CG ARG A 41 2.892 -10.016 10.580 1.00 0.00 C ATOM 603 CD ARG A 41 1.390 -10.119 10.363 1.00 0.00 C ATOM 604 NE ARG A 41 0.849 -11.378 10.867 1.00 0.00 N ATOM 605 CZ ARG A 41 0.638 -11.623 12.156 1.00 0.00 C ATOM 606 NH1 ARG A 41 0.920 -10.700 13.065 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.143 -12.794 12.537 1.00 0.00 N ATOM 0 H ARG A 41 5.037 -11.243 7.487 1.00 0.00 H new ATOM 0 HA ARG A 41 2.398 -10.368 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.409 -11.746 9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.732 -10.621 9.672 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.156 -10.478 11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.180 -8.967 10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.894 -9.286 10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.171 -10.030 9.299 1.00 0.00 H new ATOM 0 HE ARG A 41 0.621 -12.109 10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.300 -9.799 12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.757 -10.891 14.054 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.076 -13.506 11.840 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.019 -12.982 13.526 1.00 0.00 H new ATOM 621 N TRP A 42 4.472 -8.048 8.853 1.00 0.00 N ATOM 622 CA TRP A 42 4.645 -6.608 9.009 1.00 0.00 C ATOM 623 C TRP A 42 4.416 -5.886 7.686 1.00 0.00 C ATOM 624 O TRP A 42 4.329 -6.515 6.632 1.00 0.00 O ATOM 625 CB TRP A 42 6.046 -6.296 9.538 1.00 0.00 C ATOM 626 CG TRP A 42 6.326 -6.912 10.876 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.626 -8.221 11.129 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.331 -6.245 12.142 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.817 -8.407 12.477 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.642 -7.210 13.120 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.105 -4.926 12.546 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.731 -6.896 14.474 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.194 -4.616 13.889 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.505 -5.597 14.840 1.00 0.00 C ATOM 0 H TRP A 42 5.187 -8.611 9.314 1.00 0.00 H new ATOM 0 HA TRP A 42 3.906 -6.254 9.728 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.785 -6.652 8.820 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.167 -5.215 9.611 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.702 -8.995 10.380 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.051 -9.292 12.926 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.865 -4.163 11.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.970 -7.651 15.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.021 -3.600 14.212 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.568 -5.322 15.883 1.00 0.00 H new ATOM 645 N ALA A 43 4.318 -4.562 7.749 1.00 0.00 N ATOM 646 CA ALA A 43 4.101 -3.755 6.554 1.00 0.00 C ATOM 647 C ALA A 43 4.391 -2.283 6.827 1.00 0.00 C ATOM 648 O ALA A 43 3.978 -1.738 7.850 1.00 0.00 O ATOM 649 CB ALA A 43 2.676 -3.930 6.051 1.00 0.00 C ATOM 0 H ALA A 43 4.385 -4.026 8.614 1.00 0.00 H new ATOM 0 HA ALA A 43 4.791 -4.098 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.528 -3.322 5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.502 -4.978 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.976 -3.615 6.825 1.00 0.00 H new ATOM 655 N SER A 44 5.105 -1.645 5.905 1.00 0.00 N ATOM 656 CA SER A 44 5.454 -0.236 6.048 1.00 0.00 C ATOM 657 C SER A 44 4.404 0.654 5.390 1.00 0.00 C ATOM 658 O SER A 44 4.286 0.692 4.165 1.00 0.00 O ATOM 659 CB SER A 44 6.828 0.036 5.432 1.00 0.00 C ATOM 660 OG SER A 44 7.859 -0.143 6.386 1.00 0.00 O ATOM 0 H SER A 44 5.453 -2.081 5.051 1.00 0.00 H new ATOM 0 HA SER A 44 5.488 -0.002 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.990 -0.633 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.861 1.054 5.043 1.00 0.00 H new ATOM 0 HG SER A 44 7.784 0.543 7.082 1.00 0.00 H new ATOM 666 N TRP A 45 3.644 1.367 6.212 1.00 0.00 N ATOM 667 CA TRP A 45 2.602 2.257 5.711 1.00 0.00 C ATOM 668 C TRP A 45 3.211 3.453 4.987 1.00 0.00 C ATOM 669 O TRP A 45 2.896 3.713 3.826 1.00 0.00 O ATOM 670 CB TRP A 45 1.717 2.739 6.862 1.00 0.00 C ATOM 671 CG TRP A 45 2.470 3.493 7.915 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.216 2.962 8.929 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.549 4.916 8.060 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.754 3.969 9.694 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.360 5.177 9.182 1.00 0.00 C ATOM 676 CE3 TRP A 45 2.015 5.994 7.349 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.647 6.471 9.608 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.300 7.278 7.774 1.00 0.00 C ATOM 679 CH2 TRP A 45 3.111 7.508 8.894 1.00 0.00 C ATOM 0 H TRP A 45 3.729 1.347 7.228 1.00 0.00 H new ATOM 0 HA TRP A 45 1.991 1.698 5.002 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.929 3.377 6.462 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.229 1.879 7.320 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.362 1.906 9.104 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.350 3.838 10.511 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.391 5.827 6.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.271 6.650 10.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.891 8.119 7.234 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.317 8.523 9.199 1.00 0.00 H new ATOM 690 N ASN A 46 4.084 4.178 5.679 1.00 0.00 N ATOM 691 CA ASN A 46 4.736 5.347 5.101 1.00 0.00 C ATOM 692 C ASN A 46 5.071 5.111 3.631 1.00 0.00 C ATOM 693 O ASN A 46 4.805 5.960 2.780 1.00 0.00 O ATOM 694 CB ASN A 46 6.009 5.684 5.879 1.00 0.00 C ATOM 695 CG ASN A 46 7.219 4.928 5.362 1.00 0.00 C ATOM 696 OD1 ASN A 46 8.052 5.483 4.646 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.320 3.655 5.725 1.00 0.00 N ATOM 0 H ASN A 46 4.356 3.976 6.641 1.00 0.00 H new ATOM 0 HA ASN A 46 4.045 6.188 5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.198 6.755 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.860 5.450 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.112 3.096 5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.605 3.236 6.320 1.00 0.00 H new ATOM 704 N ILE A 47 5.655 3.953 3.342 1.00 0.00 N ATOM 705 CA ILE A 47 6.025 3.605 1.976 1.00 0.00 C ATOM 706 C ILE A 47 4.835 3.034 1.213 1.00 0.00 C ATOM 707 O ILE A 47 4.562 3.430 0.081 1.00 0.00 O ATOM 708 CB ILE A 47 7.178 2.584 1.947 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.428 3.174 2.603 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.474 2.159 0.517 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.545 2.171 2.787 1.00 0.00 C ATOM 0 H ILE A 47 5.882 3.240 4.035 1.00 0.00 H new ATOM 0 HA ILE A 47 6.355 4.526 1.494 1.00 0.00 H new ATOM 0 HB ILE A 47 6.876 1.702 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.791 4.002 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.158 3.587 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.291 1.438 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.585 1.703 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.758 3.032 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.399 2.659 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.200 1.354 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.843 1.776 1.816 1.00 0.00 H new ATOM 723 N GLY A 48 4.129 2.099 1.842 1.00 0.00 N ATOM 724 CA GLY A 48 2.975 1.489 1.208 1.00 0.00 C ATOM 725 C GLY A 48 3.277 0.109 0.660 1.00 0.00 C ATOM 726 O GLY A 48 2.827 -0.247 -0.430 1.00 0.00 O ATOM 0 H GLY A 48 4.336 1.753 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.162 1.420 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.628 2.130 0.398 1.00 0.00 H new ATOM 730 N VAL A 49 4.043 -0.672 1.415 1.00 0.00 N ATOM 731 CA VAL A 49 4.406 -2.021 0.998 1.00 0.00 C ATOM 732 C VAL A 49 4.496 -2.961 2.195 1.00 0.00 C ATOM 733 O VAL A 49 4.655 -2.520 3.334 1.00 0.00 O ATOM 734 CB VAL A 49 5.750 -2.034 0.247 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.665 -1.190 -1.016 1.00 0.00 C ATOM 736 CG2 VAL A 49 6.870 -1.543 1.152 1.00 0.00 C ATOM 0 H VAL A 49 4.424 -0.393 2.319 1.00 0.00 H new ATOM 0 HA VAL A 49 3.620 -2.367 0.327 1.00 0.00 H new ATOM 0 HB VAL A 49 5.973 -3.060 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.624 -1.211 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.891 -1.591 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.419 -0.162 -0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.813 -1.559 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.656 -0.525 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.945 -2.193 2.024 1.00 0.00 H new ATOM 746 N PHE A 50 4.393 -4.259 1.931 1.00 0.00 N ATOM 747 CA PHE A 50 4.462 -5.262 2.987 1.00 0.00 C ATOM 748 C PHE A 50 5.863 -5.861 3.077 1.00 0.00 C ATOM 749 O PHE A 50 6.380 -6.406 2.101 1.00 0.00 O ATOM 750 CB PHE A 50 3.437 -6.370 2.735 1.00 0.00 C ATOM 751 CG PHE A 50 2.014 -5.891 2.779 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.402 -5.393 1.640 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.289 -5.940 3.958 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.093 -4.950 1.678 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.020 -5.500 4.002 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.619 -5.005 2.860 1.00 0.00 C ATOM 0 H PHE A 50 4.261 -4.641 0.995 1.00 0.00 H new ATOM 0 HA PHE A 50 4.233 -4.773 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.631 -6.819 1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.571 -7.154 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.954 -5.350 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.752 -6.327 4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.372 -4.561 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.574 -5.543 4.928 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.642 -4.662 2.891 1.00 0.00 H new ATOM 766 N ILE A 51 6.471 -5.755 4.253 1.00 0.00 N ATOM 767 CA ILE A 51 7.811 -6.286 4.471 1.00 0.00 C ATOM 768 C ILE A 51 7.833 -7.257 5.647 1.00 0.00 C ATOM 769 O ILE A 51 6.938 -7.245 6.493 1.00 0.00 O ATOM 770 CB ILE A 51 8.827 -5.159 4.732 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.332 -4.245 5.854 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.071 -4.360 3.460 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.368 -3.247 6.323 1.00 0.00 C ATOM 0 H ILE A 51 6.057 -5.306 5.070 1.00 0.00 H new ATOM 0 HA ILE A 51 8.093 -6.815 3.561 1.00 0.00 H new ATOM 0 HB ILE A 51 9.771 -5.607 5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.450 -3.706 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.021 -4.858 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.791 -3.567 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.464 -5.019 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.133 -3.920 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.947 -2.633 7.119 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.242 -3.779 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.662 -2.609 5.490 1.00 0.00 H new ATOM 785 N CYS A 52 8.862 -8.096 5.695 1.00 0.00 N ATOM 786 CA CYS A 52 9.003 -9.073 6.768 1.00 0.00 C ATOM 787 C CYS A 52 9.532 -8.414 8.038 1.00 0.00 C ATOM 788 O CYS A 52 9.856 -7.226 8.045 1.00 0.00 O ATOM 789 CB CYS A 52 9.942 -10.202 6.337 1.00 0.00 C ATOM 790 SG CYS A 52 11.641 -9.657 5.969 1.00 0.00 S ATOM 0 H CYS A 52 9.611 -8.119 5.003 1.00 0.00 H new ATOM 0 HA CYS A 52 8.018 -9.489 6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.976 -10.953 7.126 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.528 -10.687 5.453 1.00 0.00 H new ATOM 0 HG CYS A 52 12.023 -10.163 4.834 1.00 0.00 H new ATOM 795 N ILE A 53 9.616 -9.193 9.111 1.00 0.00 N ATOM 796 CA ILE A 53 10.107 -8.686 10.387 1.00 0.00 C ATOM 797 C ILE A 53 11.576 -8.289 10.292 1.00 0.00 C ATOM 798 O ILE A 53 11.981 -7.245 10.804 1.00 0.00 O ATOM 799 CB ILE A 53 9.940 -9.728 11.509 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.367 -9.134 12.853 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.747 -10.978 11.195 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.832 -9.895 14.046 1.00 0.00 C ATOM 0 H ILE A 53 9.350 -10.178 9.122 1.00 0.00 H new ATOM 0 HA ILE A 53 9.510 -7.806 10.628 1.00 0.00 H new ATOM 0 HB ILE A 53 8.888 -10.006 11.574 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.456 -9.114 12.903 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.026 -8.100 12.909 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.619 -11.705 11.997 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.400 -11.409 10.256 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.802 -10.718 11.107 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.174 -9.418 14.965 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.742 -9.893 14.020 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.194 -10.923 14.014 1.00 0.00 H new ATOM 814 N ARG A 54 12.369 -9.127 9.632 1.00 0.00 N ATOM 815 CA ARG A 54 13.793 -8.863 9.469 1.00 0.00 C ATOM 816 C ARG A 54 14.024 -7.489 8.846 1.00 0.00 C ATOM 817 O ARG A 54 14.660 -6.622 9.445 1.00 0.00 O ATOM 818 CB ARG A 54 14.438 -9.944 8.600 1.00 0.00 C ATOM 819 CG ARG A 54 15.929 -9.745 8.387 1.00 0.00 C ATOM 820 CD ARG A 54 16.208 -8.909 7.147 1.00 0.00 C ATOM 821 NE ARG A 54 15.876 -9.625 5.918 1.00 0.00 N ATOM 822 CZ ARG A 54 16.695 -10.487 5.326 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.887 -10.740 5.848 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.321 -11.099 4.210 1.00 0.00 N ATOM 0 H ARG A 54 12.049 -9.995 9.202 1.00 0.00 H new ATOM 0 HA ARG A 54 14.254 -8.877 10.456 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.272 -10.917 9.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.941 -9.963 7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.361 -9.257 9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.417 -10.715 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.631 -7.985 7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.261 -8.627 7.129 1.00 0.00 H new ATOM 0 HE ARG A 54 14.966 -9.454 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.177 -10.272 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.514 -11.402 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.404 -10.908 3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.950 -11.761 3.756 1.00 0.00 H new ATOM 838 N CYS A 55 13.502 -7.298 7.638 1.00 0.00 N ATOM 839 CA CYS A 55 13.652 -6.031 6.932 1.00 0.00 C ATOM 840 C CYS A 55 13.139 -4.872 7.781 1.00 0.00 C ATOM 841 O CYS A 55 13.813 -3.853 7.930 1.00 0.00 O ATOM 842 CB CYS A 55 12.899 -6.074 5.601 1.00 0.00 C ATOM 843 SG CYS A 55 13.708 -7.089 4.322 1.00 0.00 S ATOM 0 H CYS A 55 12.972 -8.005 7.128 1.00 0.00 H new ATOM 0 HA CYS A 55 14.713 -5.875 6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.895 -6.461 5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.787 -5.057 5.226 1.00 0.00 H new ATOM 0 HG CYS A 55 13.285 -8.315 4.409 1.00 0.00 H new ATOM 848 N ALA A 56 11.943 -5.035 8.336 1.00 0.00 N ATOM 849 CA ALA A 56 11.340 -4.004 9.172 1.00 0.00 C ATOM 850 C ALA A 56 12.341 -3.471 10.192 1.00 0.00 C ATOM 851 O ALA A 56 12.516 -2.261 10.330 1.00 0.00 O ATOM 852 CB ALA A 56 10.106 -4.549 9.876 1.00 0.00 C ATOM 0 H ALA A 56 11.372 -5.872 8.222 1.00 0.00 H new ATOM 0 HA ALA A 56 11.041 -3.177 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.666 -3.768 10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.378 -4.875 9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.389 -5.395 10.503 1.00 0.00 H new ATOM 858 N GLY A 57 12.995 -4.382 10.906 1.00 0.00 N ATOM 859 CA GLY A 57 13.969 -3.984 11.905 1.00 0.00 C ATOM 860 C GLY A 57 14.909 -2.907 11.401 1.00 0.00 C ATOM 861 O GLY A 57 15.147 -1.911 12.085 1.00 0.00 O ATOM 0 H GLY A 57 12.867 -5.389 10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.448 -3.622 12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.549 -4.855 12.210 1.00 0.00 H new ATOM 865 N ILE A 58 15.445 -3.106 10.201 1.00 0.00 N ATOM 866 CA ILE A 58 16.365 -2.144 9.607 1.00 0.00 C ATOM 867 C ILE A 58 15.655 -0.834 9.281 1.00 0.00 C ATOM 868 O ILE A 58 16.157 0.248 9.585 1.00 0.00 O ATOM 869 CB ILE A 58 17.009 -2.700 8.323 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.798 -3.974 8.632 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.910 -1.653 7.686 1.00 0.00 C ATOM 872 CD1 ILE A 58 16.983 -5.240 8.487 1.00 0.00 C ATOM 0 H ILE A 58 15.258 -3.924 9.622 1.00 0.00 H new ATOM 0 HA ILE A 58 17.146 -1.957 10.344 1.00 0.00 H new ATOM 0 HB ILE A 58 16.218 -2.948 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.660 -4.028 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.184 -3.915 9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.358 -2.061 6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.321 -0.771 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.698 -1.376 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.606 -6.103 8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.136 -5.208 9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.619 -5.323 7.463 1.00 0.00 H new ATOM 884 N HIS A 59 14.484 -0.941 8.662 1.00 0.00 N ATOM 885 CA HIS A 59 13.703 0.236 8.297 1.00 0.00 C ATOM 886 C HIS A 59 13.643 1.229 9.454 1.00 0.00 C ATOM 887 O HIS A 59 13.912 2.418 9.279 1.00 0.00 O ATOM 888 CB HIS A 59 12.288 -0.172 7.886 1.00 0.00 C ATOM 889 CG HIS A 59 12.180 -0.600 6.455 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.532 0.147 5.493 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.643 -1.703 5.823 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.600 -0.479 4.332 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.269 -1.605 4.505 1.00 0.00 N ATOM 0 H HIS A 59 14.055 -1.829 8.403 1.00 0.00 H new ATOM 0 HA HIS A 59 14.194 0.719 7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.953 -0.988 8.527 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.613 0.666 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.203 -2.510 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.180 -0.130 3.400 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.474 -2.290 3.778 1.00 0.00 H new ATOM 901 N ARG A 60 13.288 0.733 10.634 1.00 0.00 N ATOM 902 CA ARG A 60 13.191 1.578 11.819 1.00 0.00 C ATOM 903 C ARG A 60 14.434 2.450 11.969 1.00 0.00 C ATOM 904 O ARG A 60 14.335 3.655 12.194 1.00 0.00 O ATOM 905 CB ARG A 60 13.004 0.717 13.070 1.00 0.00 C ATOM 906 CG ARG A 60 12.054 -0.451 12.870 1.00 0.00 C ATOM 907 CD ARG A 60 11.686 -1.104 14.193 1.00 0.00 C ATOM 908 NE ARG A 60 12.805 -1.846 14.767 1.00 0.00 N ATOM 909 CZ ARG A 60 12.940 -2.084 16.067 1.00 0.00 C ATOM 910 NH1 ARG A 60 12.030 -1.640 16.924 1.00 0.00 N ATOM 911 NH2 ARG A 60 13.986 -2.768 16.513 1.00 0.00 N ATOM 0 H ARG A 60 13.063 -0.249 10.796 1.00 0.00 H new ATOM 0 HA ARG A 60 12.325 2.229 11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.975 0.335 13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.630 1.344 13.879 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.149 -0.104 12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.517 -1.189 12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.360 -0.338 14.897 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.843 -1.778 14.042 1.00 0.00 H new ATOM 0 HE ARG A 60 13.523 -2.201 14.135 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.224 -1.114 16.585 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.136 -1.824 17.922 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.688 -3.112 15.857 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.088 -2.950 17.511 1.00 0.00 H new ATOM 925 N ASN A 61 15.603 1.831 11.842 1.00 0.00 N ATOM 926 CA ASN A 61 16.866 2.550 11.965 1.00 0.00 C ATOM 927 C ASN A 61 16.908 3.741 11.012 1.00 0.00 C ATOM 928 O ASN A 61 17.182 4.870 11.423 1.00 0.00 O ATOM 929 CB ASN A 61 18.041 1.613 11.679 1.00 0.00 C ATOM 930 CG ASN A 61 17.990 0.350 12.517 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.131 0.203 13.387 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.912 -0.570 12.257 1.00 0.00 N ATOM 0 H ASN A 61 15.702 0.833 11.654 1.00 0.00 H new ATOM 0 HA ASN A 61 16.946 2.921 12.987 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.040 1.345 10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.976 2.138 11.874 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.927 -1.441 12.788 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.605 -0.406 11.527 1.00 0.00 H new ATOM 939 N LEU A 62 16.634 3.483 9.738 1.00 0.00 N ATOM 940 CA LEU A 62 16.640 4.533 8.726 1.00 0.00 C ATOM 941 C LEU A 62 16.203 5.867 9.323 1.00 0.00 C ATOM 942 O LEU A 62 16.914 6.866 9.224 1.00 0.00 O ATOM 943 CB LEU A 62 15.718 4.155 7.565 1.00 0.00 C ATOM 944 CG LEU A 62 15.938 2.769 6.958 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.031 2.563 5.755 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.397 2.584 6.565 1.00 0.00 C ATOM 0 H LEU A 62 16.405 2.555 9.381 1.00 0.00 H new ATOM 0 HA LEU A 62 17.659 4.639 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.686 4.219 7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.836 4.898 6.776 1.00 0.00 H new ATOM 0 HG LEU A 62 15.687 2.021 7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.202 1.571 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.990 2.652 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.251 3.318 5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.535 1.592 6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.675 3.340 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.028 2.687 7.448 1.00 0.00 H new ATOM 958 N GLY A 63 15.028 5.874 9.945 1.00 0.00 N ATOM 959 CA GLY A 63 14.518 7.090 10.551 1.00 0.00 C ATOM 960 C GLY A 63 13.039 7.294 10.286 1.00 0.00 C ATOM 961 O GLY A 63 12.559 7.038 9.181 1.00 0.00 O ATOM 0 H GLY A 63 14.421 5.060 10.040 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.690 7.056 11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.074 7.945 10.166 1.00 0.00 H new ATOM 965 N VAL A 64 12.315 7.755 11.301 1.00 0.00 N ATOM 966 CA VAL A 64 10.882 7.992 11.171 1.00 0.00 C ATOM 967 C VAL A 64 10.578 8.881 9.970 1.00 0.00 C ATOM 968 O VAL A 64 9.525 8.758 9.345 1.00 0.00 O ATOM 969 CB VAL A 64 10.306 8.648 12.440 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.384 7.690 13.619 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.037 9.946 12.748 1.00 0.00 C ATOM 0 H VAL A 64 12.697 7.972 12.222 1.00 0.00 H new ATOM 0 HA VAL A 64 10.412 7.019 11.027 1.00 0.00 H new ATOM 0 HB VAL A 64 9.257 8.883 12.262 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.973 8.171 14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.811 6.790 13.395 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.425 7.421 13.801 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.617 10.396 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.095 9.739 12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.923 10.635 11.911 1.00 0.00 H new ATOM 981 N HIS A 65 11.509 9.775 9.653 1.00 0.00 N ATOM 982 CA HIS A 65 11.341 10.685 8.525 1.00 0.00 C ATOM 983 C HIS A 65 11.456 9.936 7.201 1.00 0.00 C ATOM 984 O HIS A 65 10.762 10.253 6.235 1.00 0.00 O ATOM 985 CB HIS A 65 12.383 11.802 8.584 1.00 0.00 C ATOM 986 CG HIS A 65 13.794 11.312 8.470 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.428 10.604 9.469 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.693 11.430 7.465 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.657 10.310 9.084 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.843 10.799 7.872 1.00 0.00 N ATOM 0 H HIS A 65 12.386 9.889 10.160 1.00 0.00 H new ATOM 0 HA HIS A 65 10.345 11.123 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.188 12.512 7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.270 12.344 9.523 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.535 11.928 6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.386 9.762 9.663 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.701 10.721 7.326 1.00 0.00 H new ATOM 998 N ILE A 66 12.337 8.941 7.164 1.00 0.00 N ATOM 999 CA ILE A 66 12.542 8.148 5.959 1.00 0.00 C ATOM 1000 C ILE A 66 11.448 7.097 5.800 1.00 0.00 C ATOM 1001 O ILE A 66 10.716 7.094 4.811 1.00 0.00 O ATOM 1002 CB ILE A 66 13.913 7.447 5.973 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.036 8.471 5.797 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.979 6.389 4.882 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.374 7.998 6.321 1.00 0.00 C ATOM 0 H ILE A 66 12.920 8.666 7.955 1.00 0.00 H new ATOM 0 HA ILE A 66 12.505 8.839 5.117 1.00 0.00 H new ATOM 0 HB ILE A 66 14.042 6.955 6.937 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.134 8.712 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.760 9.393 6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.954 5.903 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.199 5.646 5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.831 6.859 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.122 8.775 6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.293 7.785 7.387 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.673 7.093 5.792 1.00 0.00 H new ATOM 1017 N SER A 67 11.343 6.207 6.782 1.00 0.00 N ATOM 1018 CA SER A 67 10.340 5.149 6.751 1.00 0.00 C ATOM 1019 C SER A 67 10.065 4.620 8.155 1.00 0.00 C ATOM 1020 O SER A 67 10.990 4.348 8.920 1.00 0.00 O ATOM 1021 CB SER A 67 10.801 4.007 5.844 1.00 0.00 C ATOM 1022 OG SER A 67 9.987 2.859 6.015 1.00 0.00 O ATOM 0 H SER A 67 11.940 6.198 7.609 1.00 0.00 H new ATOM 0 HA SER A 67 9.416 5.569 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.767 4.329 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.838 3.758 6.067 1.00 0.00 H new ATOM 0 HG SER A 67 10.512 2.054 5.824 1.00 0.00 H new ATOM 1028 N ARG A 68 8.786 4.476 8.485 1.00 0.00 N ATOM 1029 CA ARG A 68 8.387 3.980 9.797 1.00 0.00 C ATOM 1030 C ARG A 68 7.998 2.506 9.727 1.00 0.00 C ATOM 1031 O ARG A 68 7.822 1.951 8.642 1.00 0.00 O ATOM 1032 CB ARG A 68 7.217 4.802 10.343 1.00 0.00 C ATOM 1033 CG ARG A 68 7.633 6.146 10.918 1.00 0.00 C ATOM 1034 CD ARG A 68 6.722 6.569 12.060 1.00 0.00 C ATOM 1035 NE ARG A 68 6.648 8.021 12.191 1.00 0.00 N ATOM 1036 CZ ARG A 68 6.337 8.642 13.324 1.00 0.00 C ATOM 1037 NH1 ARG A 68 6.073 7.940 14.418 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.290 9.967 13.365 1.00 0.00 N ATOM 0 H ARG A 68 8.008 4.696 7.862 1.00 0.00 H new ATOM 0 HA ARG A 68 9.239 4.081 10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.495 4.966 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.710 4.226 11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.662 6.088 11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.609 6.902 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.722 6.169 11.893 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.086 6.139 12.993 1.00 0.00 H new ATOM 0 HE ARG A 68 6.846 8.590 11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.108 6.921 14.391 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.835 8.419 15.286 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.493 10.511 12.526 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.051 10.442 14.235 1.00 0.00 H new ATOM 1052 N VAL A 69 7.866 1.878 10.891 1.00 0.00 N ATOM 1053 CA VAL A 69 7.497 0.469 10.961 1.00 0.00 C ATOM 1054 C VAL A 69 6.490 0.220 12.078 1.00 0.00 C ATOM 1055 O VAL A 69 6.664 0.690 13.203 1.00 0.00 O ATOM 1056 CB VAL A 69 8.732 -0.423 11.190 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.326 -1.887 11.266 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.759 -0.203 10.090 1.00 0.00 C ATOM 0 H VAL A 69 8.009 2.322 11.798 1.00 0.00 H new ATOM 0 HA VAL A 69 7.044 0.212 10.003 1.00 0.00 H new ATOM 0 HB VAL A 69 9.187 -0.147 12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.211 -2.502 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.629 -2.029 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.846 -2.180 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.625 -0.841 10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.317 -0.451 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.072 0.841 10.088 1.00 0.00 H new ATOM 1068 N LYS A 70 5.435 -0.523 11.761 1.00 0.00 N ATOM 1069 CA LYS A 70 4.399 -0.837 12.737 1.00 0.00 C ATOM 1070 C LYS A 70 3.643 -2.102 12.341 1.00 0.00 C ATOM 1071 O LYS A 70 3.436 -2.367 11.157 1.00 0.00 O ATOM 1072 CB LYS A 70 3.421 0.333 12.870 1.00 0.00 C ATOM 1073 CG LYS A 70 2.758 0.722 11.560 1.00 0.00 C ATOM 1074 CD LYS A 70 1.343 1.230 11.781 1.00 0.00 C ATOM 1075 CE LYS A 70 1.339 2.580 12.481 1.00 0.00 C ATOM 1076 NZ LYS A 70 1.373 3.709 11.511 1.00 0.00 N ATOM 0 H LYS A 70 5.275 -0.919 10.835 1.00 0.00 H new ATOM 0 HA LYS A 70 4.883 -1.009 13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.650 0.071 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.953 1.197 13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.350 1.493 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.736 -0.139 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.832 1.315 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.785 0.508 12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.448 2.663 13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.200 2.647 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.166 4.599 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.317 3.766 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.660 3.552 10.770 1.00 0.00 H new ATOM 1090 N SER A 71 3.233 -2.878 13.339 1.00 0.00 N ATOM 1091 CA SER A 71 2.502 -4.116 13.093 1.00 0.00 C ATOM 1092 C SER A 71 1.266 -3.857 12.237 1.00 0.00 C ATOM 1093 O SER A 71 0.769 -2.733 12.169 1.00 0.00 O ATOM 1094 CB SER A 71 2.093 -4.762 14.418 1.00 0.00 C ATOM 1095 OG SER A 71 3.193 -5.413 15.029 1.00 0.00 O ATOM 0 H SER A 71 3.394 -2.672 14.325 1.00 0.00 H new ATOM 0 HA SER A 71 3.160 -4.797 12.552 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.698 -4.001 15.091 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.292 -5.481 14.244 1.00 0.00 H new ATOM 0 HG SER A 71 4.026 -5.105 14.615 1.00 0.00 H new ATOM 1101 N VAL A 72 0.775 -4.906 11.585 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.403 -4.793 10.733 1.00 0.00 C ATOM 1103 C VAL A 72 -1.682 -5.015 11.533 1.00 0.00 C ATOM 1104 O VAL A 72 -2.646 -4.263 11.401 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.355 -5.805 9.573 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.425 -5.484 8.540 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.026 -5.818 8.935 1.00 0.00 C ATOM 0 H VAL A 72 1.174 -5.843 11.630 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.403 -3.782 10.325 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.556 -6.799 9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.376 -6.209 7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.408 -5.530 9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.258 -4.483 8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.042 -6.539 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.258 -4.825 8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.769 -6.099 9.681 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.681 -6.052 12.364 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.843 -6.373 13.186 1.00 0.00 C ATOM 1119 C ASN A 73 -2.600 -5.991 14.643 1.00 0.00 C ATOM 1120 O ASN A 73 -3.439 -5.349 15.276 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.168 -7.865 13.086 1.00 0.00 C ATOM 1122 CG ASN A 73 -2.506 -8.676 14.182 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -1.416 -9.218 13.997 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -3.164 -8.764 15.333 1.00 0.00 N ATOM 0 H ASN A 73 -0.890 -6.684 12.486 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.691 -5.798 12.814 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.248 -8.003 13.138 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.845 -8.240 12.115 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.768 -9.297 16.107 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.065 -8.299 15.442 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.447 -6.390 15.169 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.092 -6.090 16.552 1.00 0.00 C ATOM 1133 C LEU A 74 -1.306 -4.611 16.860 1.00 0.00 C ATOM 1134 O LEU A 74 -1.821 -4.255 17.920 1.00 0.00 O ATOM 1135 CB LEU A 74 0.364 -6.473 16.821 1.00 0.00 C ATOM 1136 CG LEU A 74 0.797 -7.853 16.324 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.273 -8.084 16.608 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.049 -8.942 16.969 1.00 0.00 C ATOM 0 H LEU A 74 -0.742 -6.922 14.659 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.741 -6.676 17.203 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.007 -5.724 16.359 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.539 -6.424 17.896 1.00 0.00 H new ATOM 0 HG LEU A 74 0.645 -7.893 15.245 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.563 -9.071 16.247 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.865 -7.323 16.099 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.451 -8.023 17.682 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.273 -9.917 16.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.071 -8.902 18.052 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.097 -8.787 16.714 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.908 -3.755 15.925 1.00 0.00 N ATOM 1151 CA ASP A 75 -1.058 -2.314 16.095 1.00 0.00 C ATOM 1152 C ASP A 75 -2.319 -1.813 15.397 1.00 0.00 C ATOM 1153 O ASP A 75 -2.942 -2.541 14.625 1.00 0.00 O ATOM 1154 CB ASP A 75 0.168 -1.583 15.546 1.00 0.00 C ATOM 1155 CG ASP A 75 1.326 -1.580 16.524 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.355 -2.457 17.413 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.205 -0.702 16.399 1.00 0.00 O ATOM 0 H ASP A 75 -0.479 -4.033 15.042 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.147 -2.107 17.161 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.483 -2.056 14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.103 -0.555 15.305 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.688 -0.567 15.675 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.876 0.029 15.075 1.00 0.00 C ATOM 1164 C GLN A 76 -3.524 0.762 13.785 1.00 0.00 C ATOM 1165 O GLN A 76 -2.354 1.026 13.510 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.541 0.993 16.059 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.090 0.312 17.302 1.00 0.00 C ATOM 1168 CD GLN A 76 -5.868 -0.950 16.980 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -5.302 -2.042 16.916 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -7.172 -0.806 16.776 1.00 0.00 N ATOM 0 H GLN A 76 -2.182 0.049 16.311 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.574 -0.773 14.836 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.816 1.749 16.360 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.353 1.514 15.552 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.265 0.065 17.971 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.737 1.007 17.837 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.599 0.118 16.839 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.747 -1.620 16.556 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.544 1.088 12.999 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.341 1.791 11.737 1.00 0.00 C ATOM 1181 C TRP A 77 -5.460 2.797 11.489 1.00 0.00 C ATOM 1182 O TRP A 77 -6.376 2.936 12.301 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.270 0.794 10.580 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.994 0.008 10.551 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.544 -0.860 11.505 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.003 0.020 9.518 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.333 -1.388 11.127 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.980 -0.865 9.912 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.881 0.691 8.298 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.148 -1.094 9.128 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.760 0.463 7.522 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.242 -0.423 7.939 1.00 0.00 C ATOM 0 H TRP A 77 -5.519 0.877 13.213 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.397 2.333 11.799 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.111 0.105 10.652 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.378 1.333 9.639 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -3.064 -1.097 12.422 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.786 -2.060 11.664 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.649 1.375 7.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.921 -1.777 9.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.655 0.977 6.578 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.106 -0.580 7.310 1.00 0.00 H new ATOM 1203 N THR A 78 -5.381 3.498 10.362 1.00 0.00 N ATOM 1204 CA THR A 78 -6.386 4.492 10.008 1.00 0.00 C ATOM 1205 C THR A 78 -6.544 4.600 8.495 1.00 0.00 C ATOM 1206 O THR A 78 -5.591 4.386 7.746 1.00 0.00 O ATOM 1207 CB THR A 78 -6.030 5.878 10.576 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.688 6.226 10.215 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.174 5.896 12.090 1.00 0.00 C ATOM 0 H THR A 78 -4.631 3.395 9.679 1.00 0.00 H new ATOM 0 HA THR A 78 -7.327 4.159 10.446 1.00 0.00 H new ATOM 0 HB THR A 78 -6.720 6.608 10.153 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.100 5.456 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.917 6.885 12.468 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.203 5.660 12.360 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.505 5.155 12.528 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.752 4.933 8.053 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.033 5.072 6.630 1.00 0.00 C ATOM 1219 C ALA A 79 -6.886 5.774 5.910 1.00 0.00 C ATOM 1220 O ALA A 79 -6.408 5.302 4.879 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.334 5.832 6.420 1.00 0.00 C ATOM 0 H ALA A 79 -8.552 5.112 8.660 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.137 4.073 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.531 5.928 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.153 5.289 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.252 6.824 6.865 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.451 6.903 6.460 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.361 7.669 5.868 1.00 0.00 C ATOM 1229 C GLU A 80 -4.210 6.754 5.460 1.00 0.00 C ATOM 1230 O GLU A 80 -3.641 6.900 4.379 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.860 8.729 6.852 1.00 0.00 C ATOM 1232 CG GLU A 80 -4.096 9.863 6.189 1.00 0.00 C ATOM 1233 CD GLU A 80 -5.010 10.863 5.508 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.721 10.468 4.560 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -5.014 12.040 5.924 1.00 0.00 O ATOM 0 H GLU A 80 -6.836 7.307 7.314 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.743 8.163 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.712 9.143 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.216 8.251 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.495 10.378 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.405 9.450 5.455 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.873 5.811 6.335 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.790 4.873 6.066 1.00 0.00 C ATOM 1244 C GLN A 81 -3.272 3.721 5.190 1.00 0.00 C ATOM 1245 O GLN A 81 -2.619 3.360 4.210 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.223 4.328 7.378 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.711 5.410 8.316 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.787 5.002 9.774 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.673 4.246 10.174 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.855 5.500 10.578 1.00 0.00 N ATOM 0 H GLN A 81 -4.334 5.677 7.235 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.004 5.407 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.997 3.753 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.409 3.638 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.678 5.646 8.062 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.292 6.320 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.139 6.123 10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.855 5.259 11.569 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.416 3.150 5.549 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.985 2.040 4.794 1.00 0.00 C ATOM 1261 C ILE A 82 -5.095 2.382 3.312 1.00 0.00 C ATOM 1262 O ILE A 82 -4.516 1.704 2.464 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.378 1.654 5.325 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.276 1.139 6.762 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.016 0.606 4.425 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.333 -0.033 6.918 1.00 0.00 C ATOM 0 H ILE A 82 -4.967 3.437 6.358 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.310 1.194 4.920 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.010 2.542 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.943 1.951 7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.268 0.845 7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.000 0.343 4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.119 1.006 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.387 -0.284 4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.310 -0.345 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.677 -0.861 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.331 0.262 6.606 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.841 3.440 3.008 1.00 0.00 N ATOM 1279 CA GLN A 83 -6.025 3.872 1.628 1.00 0.00 C ATOM 1280 C GLN A 83 -4.694 3.898 0.883 1.00 0.00 C ATOM 1281 O GLN A 83 -4.609 3.476 -0.271 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.672 5.258 1.588 1.00 0.00 C ATOM 1283 CG GLN A 83 -7.349 5.575 0.264 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.445 4.586 -0.083 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -9.624 4.836 0.165 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.059 3.454 -0.660 1.00 0.00 N ATOM 0 H GLN A 83 -6.327 4.013 3.698 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.683 3.156 1.134 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.408 5.330 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.910 6.012 1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.771 6.579 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.602 5.577 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.070 3.288 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.751 2.750 -0.916 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.659 4.396 1.549 1.00 0.00 N ATOM 1296 CA CYS A 84 -2.331 4.478 0.950 1.00 0.00 C ATOM 1297 C CYS A 84 -1.827 3.094 0.556 1.00 0.00 C ATOM 1298 O CYS A 84 -1.415 2.873 -0.583 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.350 5.134 1.922 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.416 6.941 1.930 1.00 0.00 S ATOM 0 H CYS A 84 -3.713 4.749 2.504 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.402 5.089 0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.554 4.769 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.338 4.819 1.668 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.273 7.340 2.823 1.00 0.00 H new ATOM 1306 N MET A 85 -1.860 2.164 1.505 1.00 0.00 N ATOM 1307 CA MET A 85 -1.405 0.801 1.257 1.00 0.00 C ATOM 1308 C MET A 85 -1.820 0.335 -0.136 1.00 0.00 C ATOM 1309 O MET A 85 -1.017 -0.237 -0.872 1.00 0.00 O ATOM 1310 CB MET A 85 -1.971 -0.149 2.314 1.00 0.00 C ATOM 1311 CG MET A 85 -1.218 -0.106 3.634 1.00 0.00 C ATOM 1312 SD MET A 85 0.545 -0.433 3.439 1.00 0.00 S ATOM 1313 CE MET A 85 0.512 -2.128 2.860 1.00 0.00 C ATOM 0 H MET A 85 -2.197 2.330 2.453 1.00 0.00 H new ATOM 0 HA MET A 85 -0.317 0.791 1.316 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.017 0.101 2.493 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.949 -1.167 1.925 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.353 0.873 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.646 -0.840 4.316 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.012 -2.770 3.585 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.522 -2.452 2.741 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.026 -2.195 1.901 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.077 0.584 -0.488 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.596 0.188 -1.792 1.00 0.00 C ATOM 1325 C GLN A 86 -3.079 1.114 -2.888 1.00 0.00 C ATOM 1326 O GLN A 86 -2.622 0.657 -3.936 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.126 0.199 -1.780 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.732 -0.742 -0.751 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.852 -0.108 0.621 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.507 0.922 0.787 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.219 -0.721 1.614 1.00 0.00 N ATOM 0 H GLN A 86 -3.754 1.057 0.110 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.248 -0.823 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.472 1.213 -1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.491 -0.074 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.719 -1.057 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.118 -1.640 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.688 -1.572 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.264 -0.341 2.559 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.153 2.417 -2.639 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.691 3.407 -3.605 1.00 0.00 C ATOM 1342 C ASP A 87 -1.293 3.064 -4.109 1.00 0.00 C ATOM 1343 O ASP A 87 -1.019 3.136 -5.306 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.693 4.802 -2.977 1.00 0.00 C ATOM 1345 CG ASP A 87 -4.094 5.327 -2.737 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.823 5.551 -3.726 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.464 5.513 -1.558 1.00 0.00 O ATOM 0 H ASP A 87 -3.528 2.812 -1.777 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.375 3.398 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.152 4.772 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.157 5.491 -3.629 1.00 0.00 H new ATOM 1352 N MET A 88 -0.412 2.692 -3.186 1.00 0.00 N ATOM 1353 CA MET A 88 0.959 2.338 -3.537 1.00 0.00 C ATOM 1354 C MET A 88 1.104 0.829 -3.707 1.00 0.00 C ATOM 1355 O MET A 88 1.245 0.331 -4.823 1.00 0.00 O ATOM 1356 CB MET A 88 1.928 2.837 -2.464 1.00 0.00 C ATOM 1357 CG MET A 88 3.389 2.585 -2.800 1.00 0.00 C ATOM 1358 SD MET A 88 4.137 3.947 -3.713 1.00 0.00 S ATOM 1359 CE MET A 88 5.137 3.051 -4.899 1.00 0.00 C ATOM 0 H MET A 88 -0.623 2.628 -2.190 1.00 0.00 H new ATOM 0 HA MET A 88 1.200 2.818 -4.486 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.776 3.907 -2.318 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.692 2.350 -1.518 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.947 2.421 -1.878 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.470 1.671 -3.388 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.124 3.575 -5.855 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.162 2.986 -4.535 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.734 2.047 -5.030 1.00 0.00 H new ATOM 1369 N GLY A 89 1.067 0.106 -2.592 1.00 0.00 N ATOM 1370 CA GLY A 89 1.196 -1.339 -2.640 1.00 0.00 C ATOM 1371 C GLY A 89 2.551 -1.783 -3.157 1.00 0.00 C ATOM 1372 O GLY A 89 3.395 -0.955 -3.497 1.00 0.00 O ATOM 0 H GLY A 89 0.950 0.495 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.039 -1.748 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.414 -1.750 -3.279 1.00 0.00 H new ATOM 1376 N ASN A 90 2.760 -3.094 -3.213 1.00 0.00 N ATOM 1377 CA ASN A 90 4.022 -3.647 -3.690 1.00 0.00 C ATOM 1378 C ASN A 90 4.149 -3.491 -5.202 1.00 0.00 C ATOM 1379 O ASN A 90 5.220 -3.169 -5.717 1.00 0.00 O ATOM 1380 CB ASN A 90 4.133 -5.125 -3.307 1.00 0.00 C ATOM 1381 CG ASN A 90 4.120 -5.336 -1.806 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.470 -4.594 -1.069 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.840 -6.352 -1.346 1.00 0.00 N ATOM 0 H ASN A 90 2.072 -3.793 -2.934 1.00 0.00 H new ATOM 0 HA ASN A 90 4.833 -3.094 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.307 -5.677 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.053 -5.537 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.870 -6.544 -0.345 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.363 -6.941 -1.994 1.00 0.00 H new ATOM 1390 N THR A 91 3.047 -3.720 -5.909 1.00 0.00 N ATOM 1391 CA THR A 91 3.034 -3.605 -7.362 1.00 0.00 C ATOM 1392 C THR A 91 3.845 -2.401 -7.826 1.00 0.00 C ATOM 1393 O THR A 91 4.879 -2.549 -8.477 1.00 0.00 O ATOM 1394 CB THR A 91 1.597 -3.480 -7.903 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.787 -4.545 -7.393 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.586 -3.512 -9.424 1.00 0.00 C ATOM 0 H THR A 91 2.152 -3.986 -5.499 1.00 0.00 H new ATOM 0 HA THR A 91 3.485 -4.517 -7.755 1.00 0.00 H new ATOM 0 HB THR A 91 1.190 -2.524 -7.573 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.125 -4.457 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.561 -3.422 -9.782 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.179 -2.683 -9.810 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.010 -4.454 -9.771 1.00 0.00 H new ATOM 1404 N LYS A 92 3.371 -1.207 -7.486 1.00 0.00 N ATOM 1405 CA LYS A 92 4.053 0.024 -7.866 1.00 0.00 C ATOM 1406 C LYS A 92 5.431 0.105 -7.217 1.00 0.00 C ATOM 1407 O LYS A 92 6.431 0.353 -7.890 1.00 0.00 O ATOM 1408 CB LYS A 92 3.216 1.240 -7.463 1.00 0.00 C ATOM 1409 CG LYS A 92 2.114 1.575 -8.453 1.00 0.00 C ATOM 1410 CD LYS A 92 1.315 2.789 -8.010 1.00 0.00 C ATOM 1411 CE LYS A 92 0.248 3.157 -9.030 1.00 0.00 C ATOM 1412 NZ LYS A 92 0.842 3.710 -10.278 1.00 0.00 N ATOM 0 H LYS A 92 2.516 -1.066 -6.947 1.00 0.00 H new ATOM 0 HA LYS A 92 4.180 0.020 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.771 1.056 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.873 2.104 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.550 1.764 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.448 0.719 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.845 2.585 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.987 3.635 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.345 2.274 -9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.432 3.890 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.086 4.089 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.508 4.472 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.348 2.956 -10.785 1.00 0.00 H new ATOM 1426 N ALA A 93 5.476 -0.107 -5.905 1.00 0.00 N ATOM 1427 CA ALA A 93 6.732 -0.062 -5.167 1.00 0.00 C ATOM 1428 C ALA A 93 7.874 -0.650 -5.988 1.00 0.00 C ATOM 1429 O ALA A 93 8.980 -0.110 -6.006 1.00 0.00 O ATOM 1430 CB ALA A 93 6.593 -0.803 -3.845 1.00 0.00 C ATOM 0 H ALA A 93 4.657 -0.311 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 93 6.968 0.982 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.538 -0.762 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.811 -0.336 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.330 -1.843 -4.037 1.00 0.00 H new ATOM 1436 N ARG A 94 7.598 -1.758 -6.668 1.00 0.00 N ATOM 1437 CA ARG A 94 8.603 -2.420 -7.490 1.00 0.00 C ATOM 1438 C ARG A 94 8.891 -1.613 -8.752 1.00 0.00 C ATOM 1439 O ARG A 94 10.048 -1.382 -9.105 1.00 0.00 O ATOM 1440 CB ARG A 94 8.139 -3.828 -7.867 1.00 0.00 C ATOM 1441 CG ARG A 94 9.055 -4.527 -8.857 1.00 0.00 C ATOM 1442 CD ARG A 94 8.344 -5.673 -9.561 1.00 0.00 C ATOM 1443 NE ARG A 94 9.285 -6.641 -10.118 1.00 0.00 N ATOM 1444 CZ ARG A 94 9.811 -7.641 -9.419 1.00 0.00 C ATOM 1445 NH1 ARG A 94 9.489 -7.803 -8.143 1.00 0.00 N ATOM 1446 NH2 ARG A 94 10.660 -8.481 -9.997 1.00 0.00 N ATOM 0 H ARG A 94 6.687 -2.216 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 94 9.522 -2.492 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.067 -4.432 -6.962 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.137 -3.769 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.410 -3.809 -9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.933 -4.908 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.681 -6.176 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.718 -5.275 -10.360 1.00 0.00 H new ATOM 0 HE ARG A 94 9.553 -6.544 -11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.836 -7.159 -7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.894 -8.571 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.909 -8.359 -10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.063 -9.248 -9.460 1.00 0.00 H new ATOM 1460 N LEU A 95 7.830 -1.187 -9.430 1.00 0.00 N ATOM 1461 CA LEU A 95 7.968 -0.406 -10.654 1.00 0.00 C ATOM 1462 C LEU A 95 8.593 0.955 -10.364 1.00 0.00 C ATOM 1463 O LEU A 95 8.970 1.685 -11.282 1.00 0.00 O ATOM 1464 CB LEU A 95 6.604 -0.222 -11.321 1.00 0.00 C ATOM 1465 CG LEU A 95 5.776 -1.492 -11.518 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.342 -1.143 -11.884 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.402 -2.375 -12.588 1.00 0.00 C ATOM 0 H LEU A 95 6.866 -1.369 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 95 8.626 -0.950 -11.331 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.021 0.478 -10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.758 0.242 -12.295 1.00 0.00 H new ATOM 0 HG LEU A 95 5.765 -2.045 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.768 -2.059 -12.020 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.896 -0.551 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.332 -0.568 -12.810 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.800 -3.275 -12.715 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.444 -1.830 -13.531 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.411 -2.654 -12.285 1.00 0.00 H new ATOM 1479 N LEU A 96 8.701 1.290 -9.083 1.00 0.00 N ATOM 1480 CA LEU A 96 9.283 2.562 -8.671 1.00 0.00 C ATOM 1481 C LEU A 96 10.685 2.362 -8.105 1.00 0.00 C ATOM 1482 O LEU A 96 11.669 2.838 -8.672 1.00 0.00 O ATOM 1483 CB LEU A 96 8.391 3.240 -7.629 1.00 0.00 C ATOM 1484 CG LEU A 96 8.629 4.735 -7.413 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.013 4.977 -6.831 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.457 5.497 -8.719 1.00 0.00 C ATOM 0 H LEU A 96 8.393 0.698 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 96 9.355 3.202 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.351 3.097 -7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.527 2.729 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 96 7.889 5.102 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.164 6.046 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.100 4.464 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.768 4.595 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.630 6.559 -8.546 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.173 5.127 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.444 5.351 -9.095 1.00 0.00 H new ATOM 1498 N TYR A 97 10.769 1.654 -6.984 1.00 0.00 N ATOM 1499 CA TYR A 97 12.050 1.391 -6.340 1.00 0.00 C ATOM 1500 C TYR A 97 12.829 0.318 -7.095 1.00 0.00 C ATOM 1501 O TYR A 97 14.018 0.475 -7.368 1.00 0.00 O ATOM 1502 CB TYR A 97 11.836 0.956 -4.890 1.00 0.00 C ATOM 1503 CG TYR A 97 11.148 2.001 -4.040 1.00 0.00 C ATOM 1504 CD1 TYR A 97 11.860 3.064 -3.499 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.785 1.924 -3.779 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.235 4.020 -2.722 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.152 2.876 -3.003 1.00 0.00 C ATOM 1508 CZ TYR A 97 9.881 3.922 -2.477 1.00 0.00 C ATOM 1509 OH TYR A 97 9.255 4.873 -1.704 1.00 0.00 O ATOM 0 H TYR A 97 9.965 1.252 -6.503 1.00 0.00 H new ATOM 0 HA TYR A 97 12.631 2.313 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.243 0.041 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.802 0.716 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 97 12.920 3.144 -3.689 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.211 1.106 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.803 4.840 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.092 2.801 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 97 8.302 4.658 -1.629 1.00 0.00 H new ATOM 1519 N GLU A 98 12.147 -0.774 -7.429 1.00 0.00 N ATOM 1520 CA GLU A 98 12.774 -1.874 -8.152 1.00 0.00 C ATOM 1521 C GLU A 98 12.763 -1.613 -9.656 1.00 0.00 C ATOM 1522 O GLU A 98 12.704 -2.545 -10.457 1.00 0.00 O ATOM 1523 CB GLU A 98 12.056 -3.190 -7.846 1.00 0.00 C ATOM 1524 CG GLU A 98 12.168 -3.621 -6.393 1.00 0.00 C ATOM 1525 CD GLU A 98 11.754 -5.064 -6.180 1.00 0.00 C ATOM 1526 OE1 GLU A 98 10.540 -5.316 -6.033 1.00 0.00 O ATOM 1527 OE2 GLU A 98 12.643 -5.940 -6.158 1.00 0.00 O ATOM 0 H GLU A 98 11.161 -0.920 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 98 13.810 -1.949 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.002 -3.088 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.467 -3.975 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.196 -3.488 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.545 -2.973 -5.776 1.00 0.00 H new ATOM 1534 N ALA A 99 12.820 -0.339 -10.030 1.00 0.00 N ATOM 1535 CA ALA A 99 12.818 0.045 -11.436 1.00 0.00 C ATOM 1536 C ALA A 99 14.230 0.351 -11.923 1.00 0.00 C ATOM 1537 O ALA A 99 14.608 -0.022 -13.033 1.00 0.00 O ATOM 1538 CB ALA A 99 11.910 1.246 -11.654 1.00 0.00 C ATOM 0 H ALA A 99 12.868 0.445 -9.379 1.00 0.00 H new ATOM 0 HA ALA A 99 12.436 -0.795 -12.016 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.918 1.522 -12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.893 0.993 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.267 2.085 -11.057 1.00 0.00 H new ATOM 1544 N ASN A 100 15.004 1.035 -11.087 1.00 0.00 N ATOM 1545 CA ASN A 100 16.375 1.393 -11.434 1.00 0.00 C ATOM 1546 C ASN A 100 17.326 0.231 -11.163 1.00 0.00 C ATOM 1547 O ASN A 100 18.543 0.411 -11.106 1.00 0.00 O ATOM 1548 CB ASN A 100 16.818 2.625 -10.642 1.00 0.00 C ATOM 1549 CG ASN A 100 16.290 3.916 -11.237 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.537 4.221 -12.404 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.558 4.680 -10.436 1.00 0.00 N ATOM 0 H ASN A 100 14.706 1.353 -10.165 1.00 0.00 H new ATOM 0 HA ASN A 100 16.406 1.623 -12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.473 2.535 -9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.907 2.661 -10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.175 5.560 -10.781 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.379 4.387 -9.476 1.00 0.00 H new ATOM 1558 N LEU A 101 16.763 -0.961 -10.998 1.00 0.00 N ATOM 1559 CA LEU A 101 17.560 -2.153 -10.734 1.00 0.00 C ATOM 1560 C LEU A 101 18.114 -2.736 -12.030 1.00 0.00 C ATOM 1561 O LEU A 101 17.457 -2.734 -13.071 1.00 0.00 O ATOM 1562 CB LEU A 101 16.717 -3.204 -10.009 1.00 0.00 C ATOM 1563 CG LEU A 101 16.588 -3.033 -8.495 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.624 -4.060 -7.922 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.951 -3.147 -7.827 1.00 0.00 C ATOM 0 H LEU A 101 15.758 -1.127 -11.042 1.00 0.00 H new ATOM 0 HA LEU A 101 18.398 -1.866 -10.099 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.717 -3.200 -10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.146 -4.186 -10.208 1.00 0.00 H new ATOM 0 HG LEU A 101 16.189 -2.039 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.545 -3.923 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.642 -3.931 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.993 -5.063 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.840 -3.023 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.378 -4.128 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.612 -2.372 -8.215 1.00 0.00 H new ATOM 1664 N ARG A 107 19.658 -10.284 -5.499 1.00 0.00 N ATOM 1665 CA ARG A 107 18.956 -10.065 -4.241 1.00 0.00 C ATOM 1666 C ARG A 107 19.738 -10.656 -3.072 1.00 0.00 C ATOM 1667 O ARG A 107 20.162 -11.812 -3.097 1.00 0.00 O ATOM 1668 CB ARG A 107 17.558 -10.685 -4.299 1.00 0.00 C ATOM 1669 CG ARG A 107 16.545 -9.985 -3.407 1.00 0.00 C ATOM 1670 CD ARG A 107 15.121 -10.382 -3.764 1.00 0.00 C ATOM 1671 NE ARG A 107 14.567 -9.540 -4.822 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.656 -9.958 -5.693 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.197 -11.200 -5.632 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.201 -9.132 -6.626 1.00 0.00 N ATOM 0 HA ARG A 107 18.864 -8.990 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.201 -10.661 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.622 -11.734 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.743 -10.234 -2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.658 -8.905 -3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.104 -11.424 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.492 -10.311 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 107 14.898 -8.578 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.544 -11.837 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.497 -11.519 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.551 -8.175 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.501 -9.454 -7.295 1.00 0.00 H new ATOM 1688 N PRO A 108 19.934 -9.846 -2.021 1.00 0.00 N ATOM 1689 CA PRO A 108 20.666 -10.267 -0.822 1.00 0.00 C ATOM 1690 C PRO A 108 19.896 -11.300 -0.006 1.00 0.00 C ATOM 1691 O PRO A 108 18.687 -11.175 0.187 1.00 0.00 O ATOM 1692 CB PRO A 108 20.823 -8.967 -0.028 1.00 0.00 C ATOM 1693 CG PRO A 108 19.691 -8.109 -0.478 1.00 0.00 C ATOM 1694 CD PRO A 108 19.456 -8.456 -1.922 1.00 0.00 C ATOM 0 HA PRO A 108 21.612 -10.748 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.778 -9.151 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.784 -8.493 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.798 -8.297 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.934 -7.052 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.402 -8.373 -2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 108 20.007 -7.793 -2.589 1.00 0.00 H new ATOM 1702 N GLN A 109 20.605 -12.318 0.470 1.00 0.00 N ATOM 1703 CA GLN A 109 19.987 -13.373 1.265 1.00 0.00 C ATOM 1704 C GLN A 109 20.276 -13.175 2.750 1.00 0.00 C ATOM 1705 O GLN A 109 19.405 -13.379 3.596 1.00 0.00 O ATOM 1706 CB GLN A 109 20.493 -14.744 0.813 1.00 0.00 C ATOM 1707 CG GLN A 109 20.107 -15.094 -0.615 1.00 0.00 C ATOM 1708 CD GLN A 109 18.683 -15.600 -0.727 1.00 0.00 C ATOM 1709 OE1 GLN A 109 18.448 -16.801 -0.870 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.722 -14.686 -0.663 1.00 0.00 N ATOM 0 H GLN A 109 21.607 -12.435 0.319 1.00 0.00 H new ATOM 0 HA GLN A 109 18.909 -13.324 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.579 -14.769 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.099 -15.507 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.226 -14.213 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.790 -15.854 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.961 -13.702 -0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.744 -14.968 -0.733 1.00 0.00 H new ATOM 1719 N THR A 110 21.506 -12.777 3.061 1.00 0.00 N ATOM 1720 CA THR A 110 21.910 -12.553 4.443 1.00 0.00 C ATOM 1721 C THR A 110 21.618 -11.121 4.876 1.00 0.00 C ATOM 1722 O THR A 110 21.529 -10.217 4.045 1.00 0.00 O ATOM 1723 CB THR A 110 23.410 -12.843 4.643 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.176 -12.186 3.627 1.00 0.00 O ATOM 1725 CG2 THR A 110 23.682 -14.339 4.604 1.00 0.00 C ATOM 0 H THR A 110 22.239 -12.603 2.374 1.00 0.00 H new ATOM 0 HA THR A 110 21.329 -13.240 5.058 1.00 0.00 H new ATOM 0 HB THR A 110 23.704 -12.462 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.128 -12.374 3.762 1.00 0.00 H new ATOM 0 HG21 THR A 110 24.747 -14.519 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 110 23.121 -14.832 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.373 -14.740 3.639 1.00 0.00 H new ATOM 1733 N ASP A 111 21.472 -10.921 6.181 1.00 0.00 N ATOM 1734 CA ASP A 111 21.192 -9.597 6.725 1.00 0.00 C ATOM 1735 C ASP A 111 22.298 -8.613 6.356 1.00 0.00 C ATOM 1736 O ASP A 111 22.028 -7.527 5.843 1.00 0.00 O ATOM 1737 CB ASP A 111 21.042 -9.668 8.246 1.00 0.00 C ATOM 1738 CG ASP A 111 20.418 -10.971 8.705 1.00 0.00 C ATOM 1739 OD1 ASP A 111 19.189 -11.128 8.547 1.00 0.00 O ATOM 1740 OD2 ASP A 111 21.157 -11.833 9.223 1.00 0.00 O ATOM 0 H ASP A 111 21.543 -11.659 6.882 1.00 0.00 H new ATOM 0 HA ASP A 111 20.256 -9.244 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 111 22.021 -9.554 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.428 -8.834 8.587 1.00 0.00 H new ATOM 1745 N GLN A 112 23.541 -9.001 6.621 1.00 0.00 N ATOM 1746 CA GLN A 112 24.687 -8.151 6.318 1.00 0.00 C ATOM 1747 C GLN A 112 24.457 -7.366 5.031 1.00 0.00 C ATOM 1748 O GLN A 112 24.810 -6.191 4.938 1.00 0.00 O ATOM 1749 CB GLN A 112 25.956 -8.995 6.195 1.00 0.00 C ATOM 1750 CG GLN A 112 25.888 -10.040 5.093 1.00 0.00 C ATOM 1751 CD GLN A 112 27.245 -10.626 4.760 1.00 0.00 C ATOM 1752 OE1 GLN A 112 28.035 -10.022 4.033 1.00 0.00 O ATOM 1753 NE2 GLN A 112 27.525 -11.811 5.291 1.00 0.00 N ATOM 0 H GLN A 112 23.781 -9.897 7.044 1.00 0.00 H new ATOM 0 HA GLN A 112 24.809 -7.442 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.804 -8.336 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.144 -9.494 7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.216 -10.842 5.399 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.461 -9.590 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 112 26.842 -12.277 5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 112 28.424 -12.255 5.102 1.00 0.00 H new ATOM 1762 N ALA A 113 23.864 -8.024 4.040 1.00 0.00 N ATOM 1763 CA ALA A 113 23.586 -7.388 2.759 1.00 0.00 C ATOM 1764 C ALA A 113 22.261 -6.633 2.797 1.00 0.00 C ATOM 1765 O ALA A 113 22.218 -5.422 2.580 1.00 0.00 O ATOM 1766 CB ALA A 113 23.573 -8.425 1.646 1.00 0.00 C ATOM 0 H ALA A 113 23.567 -8.998 4.100 1.00 0.00 H new ATOM 0 HA ALA A 113 24.379 -6.668 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.364 -7.935 0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.545 -8.917 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 113 22.801 -9.167 1.849 1.00 0.00 H new ATOM 1772 N VAL A 114 21.181 -7.357 3.073 1.00 0.00 N ATOM 1773 CA VAL A 114 19.854 -6.756 3.139 1.00 0.00 C ATOM 1774 C VAL A 114 19.895 -5.413 3.860 1.00 0.00 C ATOM 1775 O VAL A 114 19.423 -4.403 3.338 1.00 0.00 O ATOM 1776 CB VAL A 114 18.854 -7.681 3.857 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.486 -7.023 3.945 1.00 0.00 C ATOM 1778 CG2 VAL A 114 18.764 -9.022 3.145 1.00 0.00 C ATOM 0 H VAL A 114 21.199 -8.361 3.255 1.00 0.00 H new ATOM 0 HA VAL A 114 19.524 -6.604 2.111 1.00 0.00 H new ATOM 0 HB VAL A 114 19.212 -7.857 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.793 -7.692 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.566 -6.090 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.117 -6.815 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.053 -9.663 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.430 -8.868 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 114 19.745 -9.497 3.139 1.00 0.00 H new ATOM 1788 N GLU A 115 20.462 -5.410 5.062 1.00 0.00 N ATOM 1789 CA GLU A 115 20.564 -4.190 5.855 1.00 0.00 C ATOM 1790 C GLU A 115 21.017 -3.016 4.991 1.00 0.00 C ATOM 1791 O GLU A 115 20.379 -1.963 4.971 1.00 0.00 O ATOM 1792 CB GLU A 115 21.540 -4.390 7.016 1.00 0.00 C ATOM 1793 CG GLU A 115 21.423 -3.331 8.099 1.00 0.00 C ATOM 1794 CD GLU A 115 22.044 -2.009 7.692 1.00 0.00 C ATOM 1795 OE1 GLU A 115 22.996 -2.024 6.884 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.578 -0.959 8.182 1.00 0.00 O ATOM 0 H GLU A 115 20.858 -6.238 5.508 1.00 0.00 H new ATOM 0 HA GLU A 115 19.576 -3.964 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.368 -5.371 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.558 -4.389 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.371 -3.176 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.906 -3.691 9.007 1.00 0.00 H new ATOM 1803 N PHE A 116 22.123 -3.206 4.279 1.00 0.00 N ATOM 1804 CA PHE A 116 22.663 -2.163 3.414 1.00 0.00 C ATOM 1805 C PHE A 116 21.741 -1.911 2.224 1.00 0.00 C ATOM 1806 O PHE A 116 21.400 -0.768 1.920 1.00 0.00 O ATOM 1807 CB PHE A 116 24.057 -2.553 2.919 1.00 0.00 C ATOM 1808 CG PHE A 116 25.153 -2.218 3.891 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.395 -0.903 4.256 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.941 -3.217 4.438 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.403 -0.593 5.149 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.950 -2.913 5.332 1.00 0.00 C ATOM 1813 CZ PHE A 116 27.181 -1.599 5.688 1.00 0.00 C ATOM 0 H PHE A 116 22.662 -4.072 4.284 1.00 0.00 H new ATOM 0 HA PHE A 116 22.735 -1.244 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 116 24.076 -3.624 2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.253 -2.047 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.789 -0.112 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.765 -4.246 4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.582 0.436 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.557 -3.702 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.969 -1.358 6.387 1.00 0.00 H new ATOM 1823 N PHE A 117 21.341 -2.987 1.555 1.00 0.00 N ATOM 1824 CA PHE A 117 20.460 -2.884 0.397 1.00 0.00 C ATOM 1825 C PHE A 117 19.360 -1.855 0.641 1.00 0.00 C ATOM 1826 O PHE A 117 19.148 -0.954 -0.171 1.00 0.00 O ATOM 1827 CB PHE A 117 19.839 -4.246 0.080 1.00 0.00 C ATOM 1828 CG PHE A 117 18.866 -4.209 -1.064 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.257 -3.741 -2.308 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.561 -4.643 -0.895 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.364 -3.706 -3.362 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.664 -4.610 -1.946 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.066 -4.142 -3.181 1.00 0.00 C ATOM 0 H PHE A 117 21.613 -3.940 1.795 1.00 0.00 H new ATOM 0 HA PHE A 117 21.056 -2.557 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.635 -4.954 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.329 -4.620 0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.271 -3.400 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.241 -5.011 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.681 -3.338 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.649 -4.950 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.367 -4.117 -4.004 1.00 0.00 H new ATOM 1843 N ILE A 118 18.664 -1.997 1.764 1.00 0.00 N ATOM 1844 CA ILE A 118 17.587 -1.080 2.115 1.00 0.00 C ATOM 1845 C ILE A 118 18.131 0.302 2.459 1.00 0.00 C ATOM 1846 O ILE A 118 17.529 1.320 2.117 1.00 0.00 O ATOM 1847 CB ILE A 118 16.765 -1.607 3.306 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.159 -2.971 2.972 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.674 -0.613 3.678 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.888 -3.827 4.190 1.00 0.00 C ATOM 0 H ILE A 118 18.827 -2.738 2.446 1.00 0.00 H new ATOM 0 HA ILE A 118 16.939 -1.005 1.241 1.00 0.00 H new ATOM 0 HB ILE A 118 17.429 -1.726 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.226 -2.822 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.835 -3.506 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.102 -1.000 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 118 16.128 0.339 3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 118 15.010 -0.466 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.459 -4.779 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.822 -4.007 4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.188 -3.312 4.848 1.00 0.00 H new ATOM 1862 N ARG A 119 19.275 0.330 3.136 1.00 0.00 N ATOM 1863 CA ARG A 119 19.901 1.587 3.525 1.00 0.00 C ATOM 1864 C ARG A 119 20.495 2.298 2.312 1.00 0.00 C ATOM 1865 O ARG A 119 20.959 3.434 2.411 1.00 0.00 O ATOM 1866 CB ARG A 119 20.993 1.336 4.567 1.00 0.00 C ATOM 1867 CG ARG A 119 20.509 1.472 6.002 1.00 0.00 C ATOM 1868 CD ARG A 119 21.672 1.550 6.977 1.00 0.00 C ATOM 1869 NE ARG A 119 22.191 2.909 7.104 1.00 0.00 N ATOM 1870 CZ ARG A 119 23.435 3.189 7.474 1.00 0.00 C ATOM 1871 NH1 ARG A 119 24.284 2.210 7.753 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.833 4.452 7.567 1.00 0.00 N ATOM 0 H ARG A 119 19.786 -0.504 3.426 1.00 0.00 H new ATOM 0 HA ARG A 119 19.133 2.227 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.398 0.334 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.811 2.037 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.893 2.367 6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.876 0.621 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.349 1.193 7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 119 22.470 0.887 6.643 1.00 0.00 H new ATOM 0 HE ARG A 119 21.563 3.686 6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 119 23.982 1.238 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 119 25.239 2.429 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 119 23.183 5.209 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 119 24.789 4.666 7.851 1.00 0.00 H new ATOM 1886 N ASP A 120 20.476 1.621 1.169 1.00 0.00 N ATOM 1887 CA ASP A 120 21.011 2.188 -0.063 1.00 0.00 C ATOM 1888 C ASP A 120 19.929 2.278 -1.135 1.00 0.00 C ATOM 1889 O ASP A 120 20.023 3.084 -2.061 1.00 0.00 O ATOM 1890 CB ASP A 120 22.181 1.343 -0.572 1.00 0.00 C ATOM 1891 CG ASP A 120 23.192 1.039 0.516 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.541 1.966 1.277 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.634 -0.125 0.607 1.00 0.00 O ATOM 0 H ASP A 120 20.096 0.680 1.070 1.00 0.00 H new ATOM 0 HA ASP A 120 21.367 3.195 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.799 0.407 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.677 1.868 -1.388 1.00 0.00 H new ATOM 1898 N LYS A 121 18.902 1.445 -1.003 1.00 0.00 N ATOM 1899 CA LYS A 121 17.801 1.431 -1.959 1.00 0.00 C ATOM 1900 C LYS A 121 16.765 2.495 -1.612 1.00 0.00 C ATOM 1901 O LYS A 121 16.321 3.248 -2.478 1.00 0.00 O ATOM 1902 CB LYS A 121 17.141 0.050 -1.986 1.00 0.00 C ATOM 1903 CG LYS A 121 16.277 -0.187 -3.213 1.00 0.00 C ATOM 1904 CD LYS A 121 15.443 -1.449 -3.071 1.00 0.00 C ATOM 1905 CE LYS A 121 14.120 -1.167 -2.375 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.343 -2.415 -2.134 1.00 0.00 N ATOM 0 H LYS A 121 18.809 0.771 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 121 18.206 1.653 -2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.916 -0.715 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.528 -0.068 -1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.620 0.669 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.911 -0.266 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.254 -1.874 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 121 16.002 -2.194 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.309 -0.667 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.528 -0.483 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.737 -2.291 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.751 -2.621 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.998 -3.206 -1.972 1.00 0.00 H new ATOM 1920 N TYR A 122 16.386 2.552 -0.340 1.00 0.00 N ATOM 1921 CA TYR A 122 15.401 3.523 0.121 1.00 0.00 C ATOM 1922 C TYR A 122 16.084 4.759 0.699 1.00 0.00 C ATOM 1923 O TYR A 122 15.919 5.867 0.190 1.00 0.00 O ATOM 1924 CB TYR A 122 14.486 2.893 1.172 1.00 0.00 C ATOM 1925 CG TYR A 122 13.467 1.937 0.594 1.00 0.00 C ATOM 1926 CD1 TYR A 122 12.355 2.408 -0.094 1.00 0.00 C ATOM 1927 CD2 TYR A 122 13.616 0.563 0.735 1.00 0.00 C ATOM 1928 CE1 TYR A 122 11.422 1.539 -0.623 1.00 0.00 C ATOM 1929 CE2 TYR A 122 12.688 -0.314 0.208 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.593 0.178 -0.470 1.00 0.00 C ATOM 1931 OH TYR A 122 10.665 -0.691 -0.996 1.00 0.00 O ATOM 0 H TYR A 122 16.746 1.937 0.390 1.00 0.00 H new ATOM 0 HA TYR A 122 14.801 3.829 -0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.097 2.362 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.965 3.685 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 122 12.219 3.472 -0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.472 0.174 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.563 1.922 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 122 12.820 -1.379 0.326 1.00 0.00 H new ATOM 0 HH TYR A 122 10.934 -1.613 -0.802 1.00 0.00 H new ATOM 1941 N GLU A 123 16.852 4.558 1.766 1.00 0.00 N ATOM 1942 CA GLU A 123 17.560 5.655 2.414 1.00 0.00 C ATOM 1943 C GLU A 123 18.297 6.509 1.386 1.00 0.00 C ATOM 1944 O GLU A 123 18.007 7.695 1.224 1.00 0.00 O ATOM 1945 CB GLU A 123 18.549 5.113 3.447 1.00 0.00 C ATOM 1946 CG GLU A 123 18.770 6.046 4.626 1.00 0.00 C ATOM 1947 CD GLU A 123 20.132 5.864 5.267 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.255 5.011 6.170 1.00 0.00 O ATOM 1949 OE2 GLU A 123 21.076 6.576 4.864 1.00 0.00 O ATOM 0 H GLU A 123 16.999 3.646 2.199 1.00 0.00 H new ATOM 0 HA GLU A 123 16.824 6.280 2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.186 4.154 3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.505 4.925 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.665 7.078 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.995 5.872 5.373 1.00 0.00 H new ATOM 1956 N LYS A 124 19.253 5.898 0.695 1.00 0.00 N ATOM 1957 CA LYS A 124 20.033 6.599 -0.318 1.00 0.00 C ATOM 1958 C LYS A 124 19.204 6.836 -1.576 1.00 0.00 C ATOM 1959 O LYS A 124 19.487 7.744 -2.358 1.00 0.00 O ATOM 1960 CB LYS A 124 21.291 5.801 -0.666 1.00 0.00 C ATOM 1961 CG LYS A 124 22.297 5.726 0.469 1.00 0.00 C ATOM 1962 CD LYS A 124 23.567 5.007 0.043 1.00 0.00 C ATOM 1963 CE LYS A 124 24.436 5.888 -0.841 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.097 6.973 -0.064 1.00 0.00 N ATOM 0 H LYS A 124 19.507 4.918 0.818 1.00 0.00 H new ATOM 0 HA LYS A 124 20.326 7.566 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 124 21.002 4.790 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.769 6.253 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.543 6.733 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.851 5.207 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 124 24.131 4.708 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.307 4.095 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 124 25.195 5.277 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.825 6.327 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.842 7.411 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.393 7.693 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.519 6.574 0.799 1.00 0.00 H new ATOM 1978 N LYS A 125 18.178 6.014 -1.766 1.00 0.00 N ATOM 1979 CA LYS A 125 17.305 6.134 -2.928 1.00 0.00 C ATOM 1980 C LYS A 125 18.068 5.839 -4.215 1.00 0.00 C ATOM 1981 O LYS A 125 17.717 6.336 -5.285 1.00 0.00 O ATOM 1982 CB LYS A 125 16.698 7.538 -2.992 1.00 0.00 C ATOM 1983 CG LYS A 125 15.774 7.855 -1.829 1.00 0.00 C ATOM 1984 CD LYS A 125 14.517 7.001 -1.867 1.00 0.00 C ATOM 1985 CE LYS A 125 13.495 7.468 -0.842 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.668 6.341 -0.330 1.00 0.00 N ATOM 0 H LYS A 125 17.930 5.256 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 125 16.504 5.402 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.503 8.272 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.144 7.643 -3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.300 7.688 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.500 8.910 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.078 7.041 -2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.777 5.960 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 125 14.009 7.949 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.846 8.219 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.665 6.528 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.955 5.459 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.806 6.248 0.697 1.00 0.00 H new ATOM 2000 N LYS A 126 19.113 5.026 -4.104 1.00 0.00 N ATOM 2001 CA LYS A 126 19.925 4.662 -5.259 1.00 0.00 C ATOM 2002 C LYS A 126 19.045 4.253 -6.436 1.00 0.00 C ATOM 2003 O LYS A 126 19.028 4.919 -7.471 1.00 0.00 O ATOM 2004 CB LYS A 126 20.877 3.519 -4.899 1.00 0.00 C ATOM 2005 CG LYS A 126 22.189 3.988 -4.293 1.00 0.00 C ATOM 2006 CD LYS A 126 23.051 2.816 -3.854 1.00 0.00 C ATOM 2007 CE LYS A 126 23.719 2.140 -5.042 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.747 1.152 -4.612 1.00 0.00 N ATOM 0 H LYS A 126 19.418 4.607 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 126 20.509 5.535 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.380 2.851 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.088 2.937 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.733 4.588 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.986 4.632 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.813 3.164 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.437 2.091 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 126 22.963 1.638 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.184 2.895 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.179 0.713 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.482 1.635 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.299 0.417 -4.028 1.00 0.00 H new ATOM 2022 N TYR A 127 18.315 3.156 -6.269 1.00 0.00 N ATOM 2023 CA TYR A 127 17.433 2.658 -7.318 1.00 0.00 C ATOM 2024 C TYR A 127 16.049 3.291 -7.212 1.00 0.00 C ATOM 2025 O TYR A 127 15.035 2.638 -7.458 1.00 0.00 O ATOM 2026 CB TYR A 127 17.317 1.135 -7.236 1.00 0.00 C ATOM 2027 CG TYR A 127 18.628 0.444 -6.937 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.083 0.312 -5.631 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.411 -0.077 -7.959 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.281 -0.319 -5.352 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.609 -0.711 -7.690 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.039 -0.829 -6.385 1.00 0.00 C ATOM 2033 OH TYR A 127 22.232 -1.458 -6.113 1.00 0.00 O ATOM 0 H TYR A 127 18.316 2.595 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 127 17.865 2.931 -8.281 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.594 0.875 -6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.924 0.757 -8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.491 0.709 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.078 0.015 -8.982 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.621 -0.412 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.205 -1.112 -8.497 1.00 0.00 H new ATOM 0 HH TYR A 127 22.641 -1.760 -6.951 1.00 0.00 H new ATOM 2043 N TYR A 128 16.016 4.568 -6.845 1.00 0.00 N ATOM 2044 CA TYR A 128 14.758 5.290 -6.704 1.00 0.00 C ATOM 2045 C TYR A 128 14.444 6.088 -7.966 1.00 0.00 C ATOM 2046 O TYR A 128 15.192 6.988 -8.348 1.00 0.00 O ATOM 2047 CB TYR A 128 14.816 6.227 -5.496 1.00 0.00 C ATOM 2048 CG TYR A 128 13.488 6.870 -5.164 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.430 6.113 -4.677 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.292 8.235 -5.337 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.215 6.696 -4.374 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.081 8.827 -5.035 1.00 0.00 C ATOM 2053 CZ TYR A 128 11.046 8.053 -4.554 1.00 0.00 C ATOM 2054 OH TYR A 128 9.837 8.638 -4.251 1.00 0.00 O ATOM 0 H TYR A 128 16.846 5.124 -6.640 1.00 0.00 H new ATOM 0 HA TYR A 128 13.964 4.559 -6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.166 5.667 -4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.551 7.009 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.560 5.051 -4.533 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.101 8.844 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.402 6.093 -3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.946 9.889 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 128 9.884 9.600 -4.433 1.00 0.00 H new ATOM 2064 N ASP A 129 13.331 5.752 -8.609 1.00 0.00 N ATOM 2065 CA ASP A 129 12.915 6.437 -9.827 1.00 0.00 C ATOM 2066 C ASP A 129 11.900 7.532 -9.515 1.00 0.00 C ATOM 2067 O ASP A 129 10.727 7.254 -9.262 1.00 0.00 O ATOM 2068 CB ASP A 129 12.317 5.439 -10.820 1.00 0.00 C ATOM 2069 CG ASP A 129 12.294 5.976 -12.238 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.765 7.089 -12.442 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.804 5.284 -13.144 1.00 0.00 O ATOM 0 H ASP A 129 12.701 5.009 -8.307 1.00 0.00 H new ATOM 0 HA ASP A 129 13.796 6.899 -10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.894 4.515 -10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.301 5.189 -10.513 1.00 0.00 H new