USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1029 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 131 HIS : no HD1:sc= -1.16 K(o=-4.2,f=-5) USER MOD Set 1.2: A 142 CYS SG : rot 88:sc= 0.278 USER MOD Set 1.3: A 143 CYS SG : rot 159:sc= -1.45! USER MOD Set 1.4: A 145 GLN :FLIP amide:sc= 0.915 F(o=-7.3,f=-4.2) USER MOD Set 1.5: A 153 CYS SG : rot 120:sc= -2.75! USER MOD Set 2.1: A 105 SER OG : rot 90:sc= 0.275 USER MOD Set 2.2: A 107 GLN : amide:sc= 0 X(o=0.28,f=0.28) USER MOD Set 3.1: A 47 MET CE :methyl 149:sc= -0.0368 (180deg=-0.503) USER MOD Set 3.2: A 49 THR OG1 : rot -120:sc=-0.00159 USER MOD Set 4.1: A 35 ASN : amide:sc= -0.748 K(o=-1.6,f=-10!) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -162:sc= -0.844 (180deg=-1.58) USER MOD Set 5.1: A 23 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0) USER MOD Set 5.2: A 50 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 15 THR OG1 : rot -129:sc=-0.000731 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 44 THR OG1 : rot -14:sc= 0.503 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 8:sc= -3.8! USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0314) USER MOD Single : A 84 CYS SG : rot 160:sc= 0.306 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 86 ASN : amide:sc= -0.286 K(o=-0.29,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN :FLIP amide:sc= 0.684 F(o=0.15,f=0.68) USER MOD Single : A 94 HIS : no HD1:sc= -0.411 X(o=-0.41,f=0.0053) USER MOD Single : A 97 ASN : amide:sc= 0.113 X(o=0.11,f=-0.07) USER MOD Single : A 98 THR OG1 : rot 115:sc= 0.362 USER MOD Single : A 100 TYR OH : rot -38:sc= 1.31 USER MOD Single : A 108 SER OG : rot -140:sc= -1.03 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 175:sc= 0.509 (180deg=0.485) USER MOD Single : A 122 ASN : amide:sc= 0.375 X(o=0.38,f=0) USER MOD Single : A 123 ASN : amide:sc= -0.375 K(o=-0.37,f=-2) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -1.16 K(o=-1.2,f=-6.1!) USER MOD Single : A 127 MET CE :methyl 140:sc= -0.243 (180deg=-1.53) USER MOD Single : A 129 LYS NZ :NH3+ -170:sc=-0.00175 (180deg=-0.103) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0.175 (180deg=0.175) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0.918 USER MOD Single : A 139 SER OG : rot -170:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= -0.775 K(o=-0.78,f=-3.4!) USER MOD Single : A 146 THR OG1 : rot -24:sc= 0.264 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot -9:sc= 0.0322 USER MOD Single : A 157 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -9.252 -1.328 15.040 1.00 1.34 N ATOM 230 CA THR A 15 -9.065 -1.566 13.615 1.00 24.52 C ATOM 231 C THR A 15 -9.975 -0.604 12.825 1.00 5.34 C ATOM 232 O THR A 15 -11.204 -0.618 12.961 1.00 32.23 O ATOM 233 CB THR A 15 -9.314 -3.064 13.206 1.00 2.11 C ATOM 234 OG1 THR A 15 -9.235 -3.226 11.773 1.00 72.52 O ATOM 235 CG2 THR A 15 -10.663 -3.585 13.709 1.00 63.21 C ATOM 0 HA THR A 15 -8.021 -1.369 13.370 1.00 24.52 H new ATOM 0 HB THR A 15 -8.528 -3.652 13.681 1.00 2.11 H new ATOM 0 HG1 THR A 15 -10.029 -3.703 11.453 1.00 72.52 H new ATOM 0 HG21 THR A 15 -10.789 -4.623 13.402 1.00 63.21 H new ATOM 0 HG22 THR A 15 -10.695 -3.522 14.797 1.00 63.21 H new ATOM 0 HG23 THR A 15 -11.466 -2.981 13.287 1.00 63.21 H new ATOM 243 N ILE A 16 -9.319 0.290 12.100 1.00 2.14 N ATOM 244 CA ILE A 16 -9.941 1.288 11.233 1.00 64.42 C ATOM 245 C ILE A 16 -10.691 0.595 10.081 1.00 60.30 C ATOM 246 O ILE A 16 -11.827 0.961 9.745 1.00 43.12 O ATOM 247 CB ILE A 16 -8.837 2.252 10.663 1.00 45.22 C ATOM 248 CG1 ILE A 16 -7.999 2.873 11.827 1.00 43.11 C ATOM 249 CG2 ILE A 16 -9.452 3.348 9.766 1.00 31.23 C ATOM 250 CD1 ILE A 16 -6.825 3.719 11.374 1.00 31.44 C ATOM 0 H ILE A 16 -8.300 0.345 12.097 1.00 2.14 H new ATOM 0 HA ILE A 16 -10.658 1.870 11.812 1.00 64.42 H new ATOM 0 HB ILE A 16 -8.166 1.664 10.037 1.00 45.22 H new ATOM 0 HG12 ILE A 16 -8.656 3.486 12.444 1.00 43.11 H new ATOM 0 HG13 ILE A 16 -7.627 2.067 12.460 1.00 43.11 H new ATOM 0 HG21 ILE A 16 -8.661 3.996 9.389 1.00 31.23 H new ATOM 0 HG22 ILE A 16 -9.971 2.883 8.927 1.00 31.23 H new ATOM 0 HG23 ILE A 16 -10.159 3.939 10.347 1.00 31.23 H new ATOM 0 HD11 ILE A 16 -6.300 4.110 12.246 1.00 31.44 H new ATOM 0 HD12 ILE A 16 -6.143 3.108 10.783 1.00 31.44 H new ATOM 0 HD13 ILE A 16 -7.187 4.549 10.767 1.00 31.44 H new ATOM 262 N LEU A 17 -10.040 -0.436 9.518 1.00 31.05 N ATOM 263 CA LEU A 17 -10.549 -1.182 8.366 1.00 74.00 C ATOM 264 C LEU A 17 -9.758 -2.486 8.210 1.00 12.35 C ATOM 265 O LEU A 17 -8.533 -2.479 8.323 1.00 31.22 O ATOM 266 CB LEU A 17 -10.425 -0.322 7.072 1.00 45.32 C ATOM 267 CG LEU A 17 -10.963 -0.960 5.749 1.00 62.34 C ATOM 268 CD1 LEU A 17 -12.460 -1.323 5.860 1.00 25.31 C ATOM 269 CD2 LEU A 17 -10.690 -0.031 4.546 1.00 22.35 C ATOM 0 H LEU A 17 -9.139 -0.774 9.856 1.00 31.05 H new ATOM 0 HA LEU A 17 -11.601 -1.417 8.528 1.00 74.00 H new ATOM 0 HB2 LEU A 17 -10.953 0.617 7.236 1.00 45.32 H new ATOM 0 HB3 LEU A 17 -9.373 -0.075 6.927 1.00 45.32 H new ATOM 0 HG LEU A 17 -10.423 -1.892 5.582 1.00 62.34 H new ATOM 0 HD11 LEU A 17 -12.798 -1.764 4.922 1.00 25.31 H new ATOM 0 HD12 LEU A 17 -12.602 -2.039 6.669 1.00 25.31 H new ATOM 0 HD13 LEU A 17 -13.038 -0.423 6.067 1.00 25.31 H new ATOM 0 HD21 LEU A 17 -11.072 -0.493 3.636 1.00 22.35 H new ATOM 0 HD22 LEU A 17 -11.189 0.925 4.704 1.00 22.35 H new ATOM 0 HD23 LEU A 17 -9.617 0.131 4.448 1.00 22.35 H new ATOM 281 N GLU A 18 -10.471 -3.594 7.971 1.00 21.12 N ATOM 282 CA GLU A 18 -9.866 -4.893 7.619 1.00 20.33 C ATOM 283 C GLU A 18 -10.547 -5.446 6.356 1.00 31.30 C ATOM 284 O GLU A 18 -11.756 -5.246 6.155 1.00 12.34 O ATOM 285 CB GLU A 18 -9.950 -5.920 8.788 1.00 24.32 C ATOM 286 CG GLU A 18 -11.369 -6.395 9.198 1.00 21.25 C ATOM 287 CD GLU A 18 -12.225 -5.291 9.833 1.00 73.31 C ATOM 288 OE1 GLU A 18 -11.974 -4.947 11.006 1.00 32.42 O ATOM 289 OE2 GLU A 18 -13.118 -4.734 9.152 1.00 12.23 O ATOM 0 H GLU A 18 -11.490 -3.619 8.016 1.00 21.12 H new ATOM 0 HA GLU A 18 -8.806 -4.731 7.423 1.00 20.33 H new ATOM 0 HB2 GLU A 18 -9.364 -6.797 8.513 1.00 24.32 H new ATOM 0 HB3 GLU A 18 -9.473 -5.479 9.663 1.00 24.32 H new ATOM 0 HG2 GLU A 18 -11.883 -6.781 8.317 1.00 21.25 H new ATOM 0 HG3 GLU A 18 -11.277 -7.222 9.902 1.00 21.25 H new ATOM 296 N GLU A 19 -9.760 -6.119 5.506 1.00 70.44 N ATOM 297 CA GLU A 19 -10.248 -6.705 4.248 1.00 5.13 C ATOM 298 C GLU A 19 -9.239 -7.738 3.717 1.00 63.41 C ATOM 299 O GLU A 19 -8.034 -7.655 4.002 1.00 25.11 O ATOM 300 CB GLU A 19 -10.508 -5.585 3.191 1.00 51.25 C ATOM 301 CG GLU A 19 -11.112 -6.061 1.848 1.00 42.15 C ATOM 302 CD GLU A 19 -12.431 -6.846 2.015 1.00 12.25 C ATOM 303 OE1 GLU A 19 -13.472 -6.232 2.321 1.00 2.03 O ATOM 304 OE2 GLU A 19 -12.435 -8.084 1.845 1.00 42.14 O ATOM 0 H GLU A 19 -8.765 -6.273 5.671 1.00 70.44 H new ATOM 0 HA GLU A 19 -11.192 -7.215 4.440 1.00 5.13 H new ATOM 0 HB2 GLU A 19 -11.179 -4.846 3.629 1.00 51.25 H new ATOM 0 HB3 GLU A 19 -9.565 -5.078 2.986 1.00 51.25 H new ATOM 0 HG2 GLU A 19 -11.291 -5.195 1.211 1.00 42.15 H new ATOM 0 HG3 GLU A 19 -10.386 -6.690 1.334 1.00 42.15 H new ATOM 311 N ILE A 20 -9.761 -8.712 2.955 1.00 64.55 N ATOM 312 CA ILE A 20 -8.985 -9.749 2.286 1.00 4.13 C ATOM 313 C ILE A 20 -8.340 -9.154 1.005 1.00 12.05 C ATOM 314 O ILE A 20 -9.005 -8.982 -0.024 1.00 11.43 O ATOM 315 CB ILE A 20 -9.916 -10.975 1.921 1.00 62.31 C ATOM 316 CG1 ILE A 20 -10.722 -11.483 3.165 1.00 43.31 C ATOM 317 CG2 ILE A 20 -9.106 -12.130 1.289 1.00 3.42 C ATOM 318 CD1 ILE A 20 -9.874 -12.041 4.302 1.00 61.00 C ATOM 0 H ILE A 20 -10.764 -8.796 2.787 1.00 64.55 H new ATOM 0 HA ILE A 20 -8.199 -10.105 2.951 1.00 4.13 H new ATOM 0 HB ILE A 20 -10.634 -10.619 1.182 1.00 62.31 H new ATOM 0 HG12 ILE A 20 -11.322 -10.659 3.551 1.00 43.31 H new ATOM 0 HG13 ILE A 20 -11.416 -12.257 2.837 1.00 43.31 H new ATOM 0 HG21 ILE A 20 -9.776 -12.956 1.050 1.00 3.42 H new ATOM 0 HG22 ILE A 20 -8.623 -11.779 0.377 1.00 3.42 H new ATOM 0 HG23 ILE A 20 -8.347 -12.470 1.994 1.00 3.42 H new ATOM 0 HD11 ILE A 20 -10.524 -12.366 5.115 1.00 61.00 H new ATOM 0 HD12 ILE A 20 -9.294 -12.890 3.940 1.00 61.00 H new ATOM 0 HD13 ILE A 20 -9.198 -11.267 4.665 1.00 61.00 H new ATOM 330 N LEU A 21 -7.061 -8.782 1.099 1.00 63.42 N ATOM 331 CA LEU A 21 -6.296 -8.187 -0.017 1.00 40.51 C ATOM 332 C LEU A 21 -5.136 -9.122 -0.392 1.00 14.14 C ATOM 333 O LEU A 21 -4.690 -9.911 0.442 1.00 64.45 O ATOM 334 CB LEU A 21 -5.739 -6.801 0.401 1.00 11.23 C ATOM 335 CG LEU A 21 -6.757 -5.768 0.983 1.00 42.51 C ATOM 336 CD1 LEU A 21 -6.029 -4.528 1.538 1.00 43.00 C ATOM 337 CD2 LEU A 21 -7.811 -5.362 -0.060 1.00 21.41 C ATOM 0 H LEU A 21 -6.516 -8.883 1.956 1.00 63.42 H new ATOM 0 HA LEU A 21 -6.953 -8.057 -0.877 1.00 40.51 H new ATOM 0 HB2 LEU A 21 -4.958 -6.961 1.144 1.00 11.23 H new ATOM 0 HB3 LEU A 21 -5.263 -6.352 -0.470 1.00 11.23 H new ATOM 0 HG LEU A 21 -7.280 -6.254 1.807 1.00 42.51 H new ATOM 0 HD11 LEU A 21 -6.760 -3.825 1.937 1.00 43.00 H new ATOM 0 HD12 LEU A 21 -5.347 -4.832 2.332 1.00 43.00 H new ATOM 0 HD13 LEU A 21 -5.464 -4.049 0.738 1.00 43.00 H new ATOM 0 HD21 LEU A 21 -8.501 -4.643 0.381 1.00 21.41 H new ATOM 0 HD22 LEU A 21 -7.317 -4.910 -0.920 1.00 21.41 H new ATOM 0 HD23 LEU A 21 -8.363 -6.245 -0.382 1.00 21.41 H new ATOM 349 N ILE A 22 -4.623 -9.014 -1.626 1.00 65.21 N ATOM 350 CA ILE A 22 -3.469 -9.827 -2.083 1.00 72.14 C ATOM 351 C ILE A 22 -2.171 -9.005 -1.937 1.00 33.13 C ATOM 352 O ILE A 22 -2.193 -7.785 -2.036 1.00 33.22 O ATOM 353 CB ILE A 22 -3.656 -10.332 -3.573 1.00 5.34 C ATOM 354 CG1 ILE A 22 -4.937 -11.220 -3.684 1.00 21.53 C ATOM 355 CG2 ILE A 22 -2.403 -11.102 -4.086 1.00 44.32 C ATOM 356 CD1 ILE A 22 -5.134 -11.912 -5.025 1.00 62.10 C ATOM 0 H ILE A 22 -4.984 -8.373 -2.332 1.00 65.21 H new ATOM 0 HA ILE A 22 -3.405 -10.716 -1.455 1.00 72.14 H new ATOM 0 HB ILE A 22 -3.777 -9.455 -4.209 1.00 5.34 H new ATOM 0 HG12 ILE A 22 -4.901 -11.980 -2.903 1.00 21.53 H new ATOM 0 HG13 ILE A 22 -5.809 -10.598 -3.483 1.00 21.53 H new ATOM 0 HG21 ILE A 22 -2.573 -11.431 -5.111 1.00 44.32 H new ATOM 0 HG22 ILE A 22 -1.534 -10.445 -4.055 1.00 44.32 H new ATOM 0 HG23 ILE A 22 -2.224 -11.970 -3.451 1.00 44.32 H new ATOM 0 HD11 ILE A 22 -6.050 -12.503 -4.999 1.00 62.10 H new ATOM 0 HD12 ILE A 22 -5.208 -11.163 -5.814 1.00 62.10 H new ATOM 0 HD13 ILE A 22 -4.286 -12.567 -5.225 1.00 62.10 H new ATOM 368 N LYS A 23 -1.054 -9.689 -1.664 1.00 35.14 N ATOM 369 CA LYS A 23 0.271 -9.072 -1.538 1.00 60.31 C ATOM 370 C LYS A 23 1.227 -9.685 -2.574 1.00 4.35 C ATOM 371 O LYS A 23 1.291 -10.908 -2.700 1.00 52.02 O ATOM 372 CB LYS A 23 0.842 -9.318 -0.117 1.00 13.23 C ATOM 373 CG LYS A 23 2.233 -8.685 0.102 1.00 33.24 C ATOM 374 CD LYS A 23 2.967 -9.216 1.352 1.00 53.04 C ATOM 375 CE LYS A 23 4.417 -8.712 1.418 1.00 44.14 C ATOM 376 NZ LYS A 23 5.180 -9.341 2.509 1.00 33.32 N ATOM 0 H LYS A 23 -1.045 -10.699 -1.523 1.00 35.14 H new ATOM 0 HA LYS A 23 0.176 -8.000 -1.709 1.00 60.31 H new ATOM 0 HB2 LYS A 23 0.148 -8.916 0.620 1.00 13.23 H new ATOM 0 HB3 LYS A 23 0.908 -10.392 0.060 1.00 13.23 H new ATOM 0 HG2 LYS A 23 2.850 -8.872 -0.777 1.00 33.24 H new ATOM 0 HG3 LYS A 23 2.121 -7.604 0.189 1.00 33.24 H new ATOM 0 HD2 LYS A 23 2.432 -8.903 2.248 1.00 53.04 H new ATOM 0 HD3 LYS A 23 2.961 -10.306 1.342 1.00 53.04 H new ATOM 0 HE2 LYS A 23 4.913 -8.914 0.468 1.00 44.14 H new ATOM 0 HE3 LYS A 23 4.417 -7.631 1.554 1.00 44.14 H new ATOM 0 HZ1 LYS A 23 6.190 -9.116 2.401 1.00 33.32 H new ATOM 0 HZ2 LYS A 23 4.840 -8.980 3.423 1.00 33.32 H new ATOM 0 HZ3 LYS A 23 5.050 -10.372 2.474 1.00 33.32 H new ATOM 390 N ARG A 24 1.970 -8.838 -3.300 1.00 51.35 N ATOM 391 CA ARG A 24 3.090 -9.290 -4.143 1.00 2.31 C ATOM 392 C ARG A 24 4.377 -9.266 -3.312 1.00 3.11 C ATOM 393 O ARG A 24 4.618 -8.298 -2.568 1.00 73.44 O ATOM 394 CB ARG A 24 3.281 -8.378 -5.381 1.00 72.21 C ATOM 395 CG ARG A 24 4.272 -8.933 -6.433 1.00 51.10 C ATOM 396 CD ARG A 24 4.720 -7.881 -7.459 1.00 2.53 C ATOM 397 NE ARG A 24 5.518 -6.807 -6.824 1.00 5.21 N ATOM 398 CZ ARG A 24 6.682 -6.325 -7.295 1.00 35.24 C ATOM 399 NH1 ARG A 24 7.205 -6.797 -8.422 1.00 65.22 N ATOM 400 NH2 ARG A 24 7.325 -5.378 -6.625 1.00 24.30 N ATOM 0 H ARG A 24 1.816 -7.830 -3.321 1.00 51.35 H new ATOM 0 HA ARG A 24 2.866 -10.298 -4.492 1.00 2.31 H new ATOM 0 HB2 ARG A 24 2.313 -8.223 -5.857 1.00 72.21 H new ATOM 0 HB3 ARG A 24 3.632 -7.401 -5.048 1.00 72.21 H new ATOM 0 HG2 ARG A 24 5.150 -9.329 -5.922 1.00 51.10 H new ATOM 0 HG3 ARG A 24 3.805 -9.767 -6.958 1.00 51.10 H new ATOM 0 HD2 ARG A 24 5.310 -8.361 -8.239 1.00 2.53 H new ATOM 0 HD3 ARG A 24 3.845 -7.447 -7.943 1.00 2.53 H new ATOM 0 HE ARG A 24 5.156 -6.401 -5.961 1.00 5.21 H new ATOM 0 HH11 ARG A 24 6.723 -7.532 -8.939 1.00 65.22 H new ATOM 0 HH12 ARG A 24 8.088 -6.424 -8.770 1.00 65.22 H new ATOM 0 HH21 ARG A 24 6.937 -5.016 -5.754 1.00 24.30 H new ATOM 0 HH22 ARG A 24 8.208 -5.011 -6.981 1.00 24.30 H new ATOM 414 N SER A 25 5.194 -10.315 -3.438 1.00 21.24 N ATOM 415 CA SER A 25 6.556 -10.320 -2.911 1.00 45.34 C ATOM 416 C SER A 25 7.453 -9.590 -3.926 1.00 11.14 C ATOM 417 O SER A 25 7.505 -9.998 -5.097 1.00 63.21 O ATOM 418 CB SER A 25 7.034 -11.773 -2.704 1.00 42.14 C ATOM 419 OG SER A 25 8.318 -11.818 -2.105 1.00 64.22 O ATOM 0 H SER A 25 4.929 -11.181 -3.907 1.00 21.24 H new ATOM 0 HA SER A 25 6.600 -9.815 -1.946 1.00 45.34 H new ATOM 0 HB2 SER A 25 6.320 -12.306 -2.076 1.00 42.14 H new ATOM 0 HB3 SER A 25 7.061 -12.288 -3.664 1.00 42.14 H new ATOM 0 HG SER A 25 8.591 -12.752 -1.986 1.00 64.22 H new ATOM 583 N ASN A 35 5.360 -14.112 -5.838 1.00 12.54 N ATOM 584 CA ASN A 35 4.235 -14.799 -5.202 1.00 11.54 C ATOM 585 C ASN A 35 3.130 -13.780 -4.907 1.00 5.42 C ATOM 586 O ASN A 35 3.385 -12.737 -4.293 1.00 41.00 O ATOM 587 CB ASN A 35 4.682 -15.514 -3.897 1.00 51.42 C ATOM 588 CG ASN A 35 3.592 -16.424 -3.294 1.00 65.00 C ATOM 589 OD1 ASN A 35 2.779 -16.002 -2.467 1.00 33.42 O ATOM 590 ND2 ASN A 35 3.560 -17.680 -3.718 1.00 14.40 N ATOM 0 HA ASN A 35 3.855 -15.564 -5.880 1.00 11.54 H new ATOM 0 HB2 ASN A 35 5.570 -16.111 -4.104 1.00 51.42 H new ATOM 0 HB3 ASN A 35 4.968 -14.764 -3.160 1.00 51.42 H new ATOM 0 HD21 ASN A 35 2.852 -18.321 -3.360 1.00 14.40 H new ATOM 0 HD22 ASN A 35 4.243 -18.005 -4.402 1.00 14.40 H new ATOM 597 N TYR A 36 1.922 -14.094 -5.369 1.00 73.42 N ATOM 598 CA TYR A 36 0.711 -13.324 -5.102 1.00 52.14 C ATOM 599 C TYR A 36 -0.049 -14.069 -4.013 1.00 35.15 C ATOM 600 O TYR A 36 -0.631 -15.136 -4.268 1.00 2.53 O ATOM 601 CB TYR A 36 -0.131 -13.193 -6.399 1.00 4.33 C ATOM 602 CG TYR A 36 0.599 -12.454 -7.536 1.00 42.14 C ATOM 603 CD1 TYR A 36 1.507 -13.117 -8.376 1.00 11.55 C ATOM 604 CD2 TYR A 36 0.398 -11.088 -7.759 1.00 73.15 C ATOM 605 CE1 TYR A 36 2.179 -12.445 -9.382 1.00 20.43 C ATOM 606 CE2 TYR A 36 1.066 -10.419 -8.772 1.00 13.44 C ATOM 607 CZ TYR A 36 1.955 -11.098 -9.575 1.00 1.43 C ATOM 608 OH TYR A 36 2.630 -10.425 -10.574 1.00 71.05 O ATOM 0 H TYR A 36 1.755 -14.912 -5.954 1.00 73.42 H new ATOM 0 HA TYR A 36 0.941 -12.311 -4.772 1.00 52.14 H new ATOM 0 HB2 TYR A 36 -0.409 -14.189 -6.744 1.00 4.33 H new ATOM 0 HB3 TYR A 36 -1.057 -12.665 -6.170 1.00 4.33 H new ATOM 0 HD1 TYR A 36 1.685 -14.173 -8.234 1.00 11.55 H new ATOM 0 HD2 TYR A 36 -0.291 -10.544 -7.130 1.00 73.15 H new ATOM 0 HE1 TYR A 36 2.877 -12.974 -10.014 1.00 20.43 H new ATOM 0 HE2 TYR A 36 0.890 -9.366 -8.932 1.00 13.44 H new ATOM 0 HH TYR A 36 2.357 -9.484 -10.577 1.00 71.05 H new ATOM 618 N LYS A 37 -0.001 -13.542 -2.783 1.00 53.15 N ATOM 619 CA LYS A 37 -0.559 -14.208 -1.609 1.00 2.23 C ATOM 620 C LYS A 37 -1.698 -13.383 -0.998 1.00 54.30 C ATOM 621 O LYS A 37 -1.488 -12.306 -0.432 1.00 44.33 O ATOM 622 CB LYS A 37 0.548 -14.541 -0.568 1.00 22.51 C ATOM 623 CG LYS A 37 0.065 -15.383 0.650 1.00 51.14 C ATOM 624 CD LYS A 37 -0.802 -16.639 0.292 1.00 45.00 C ATOM 625 CE LYS A 37 -0.071 -17.733 -0.530 1.00 3.43 C ATOM 626 NZ LYS A 37 0.143 -17.379 -1.966 1.00 15.54 N ATOM 0 H LYS A 37 0.428 -12.639 -2.578 1.00 53.15 H new ATOM 0 HA LYS A 37 -0.986 -15.158 -1.930 1.00 2.23 H new ATOM 0 HB2 LYS A 37 1.350 -15.082 -1.071 1.00 22.51 H new ATOM 0 HB3 LYS A 37 0.975 -13.608 -0.201 1.00 22.51 H new ATOM 0 HG2 LYS A 37 0.938 -15.713 1.212 1.00 51.14 H new ATOM 0 HG3 LYS A 37 -0.514 -14.738 1.310 1.00 51.14 H new ATOM 0 HD2 LYS A 37 -1.166 -17.085 1.217 1.00 45.00 H new ATOM 0 HD3 LYS A 37 -1.677 -16.309 -0.269 1.00 45.00 H new ATOM 0 HE2 LYS A 37 0.896 -17.933 -0.069 1.00 3.43 H new ATOM 0 HE3 LYS A 37 -0.647 -18.657 -0.477 1.00 3.43 H new ATOM 0 HZ1 LYS A 37 0.348 -18.242 -2.509 1.00 15.54 H new ATOM 0 HZ2 LYS A 37 -0.714 -16.927 -2.344 1.00 15.54 H new ATOM 0 HZ3 LYS A 37 0.945 -16.721 -2.046 1.00 15.54 H new ATOM 640 N GLU A 38 -2.895 -13.945 -1.161 1.00 60.22 N ATOM 641 CA GLU A 38 -4.143 -13.437 -0.598 1.00 34.20 C ATOM 642 C GLU A 38 -4.127 -13.612 0.937 1.00 11.13 C ATOM 643 O GLU A 38 -3.880 -14.717 1.443 1.00 31.01 O ATOM 644 CB GLU A 38 -5.320 -14.188 -1.254 1.00 52.00 C ATOM 645 CG GLU A 38 -6.711 -13.755 -0.774 1.00 73.40 C ATOM 646 CD GLU A 38 -7.841 -14.519 -1.472 1.00 71.20 C ATOM 647 OE1 GLU A 38 -7.888 -15.760 -1.350 1.00 43.03 O ATOM 648 OE2 GLU A 38 -8.680 -13.891 -2.154 1.00 40.31 O ATOM 0 H GLU A 38 -3.026 -14.796 -1.708 1.00 60.22 H new ATOM 0 HA GLU A 38 -4.257 -12.373 -0.803 1.00 34.20 H new ATOM 0 HB2 GLU A 38 -5.265 -14.048 -2.334 1.00 52.00 H new ATOM 0 HB3 GLU A 38 -5.202 -15.255 -1.064 1.00 52.00 H new ATOM 0 HG2 GLU A 38 -6.784 -13.910 0.302 1.00 73.40 H new ATOM 0 HG3 GLU A 38 -6.836 -12.687 -0.952 1.00 73.40 H new ATOM 655 N ARG A 39 -4.362 -12.500 1.654 1.00 52.52 N ATOM 656 CA ARG A 39 -4.204 -12.398 3.123 1.00 34.51 C ATOM 657 C ARG A 39 -5.294 -11.467 3.686 1.00 62.24 C ATOM 658 O ARG A 39 -5.912 -10.695 2.944 1.00 72.33 O ATOM 659 CB ARG A 39 -2.797 -11.815 3.507 1.00 3.12 C ATOM 660 CG ARG A 39 -1.574 -12.539 2.885 1.00 24.52 C ATOM 661 CD ARG A 39 -0.228 -11.856 3.200 1.00 51.32 C ATOM 662 NE ARG A 39 0.852 -12.307 2.299 1.00 64.01 N ATOM 663 CZ ARG A 39 2.066 -12.726 2.680 1.00 64.22 C ATOM 664 NH1 ARG A 39 2.405 -12.794 3.963 1.00 12.42 N ATOM 665 NH2 ARG A 39 2.943 -13.085 1.762 1.00 31.12 N ATOM 0 H ARG A 39 -4.673 -11.628 1.225 1.00 52.52 H new ATOM 0 HA ARG A 39 -4.294 -13.399 3.545 1.00 34.51 H new ATOM 0 HB2 ARG A 39 -2.765 -10.767 3.209 1.00 3.12 H new ATOM 0 HB3 ARG A 39 -2.698 -11.841 4.592 1.00 3.12 H new ATOM 0 HG2 ARG A 39 -1.545 -13.566 3.250 1.00 24.52 H new ATOM 0 HG3 ARG A 39 -1.703 -12.589 1.804 1.00 24.52 H new ATOM 0 HD2 ARG A 39 -0.342 -10.775 3.115 1.00 51.32 H new ATOM 0 HD3 ARG A 39 0.051 -12.066 4.232 1.00 51.32 H new ATOM 0 HE ARG A 39 0.656 -12.299 1.298 1.00 64.01 H new ATOM 0 HH11 ARG A 39 1.735 -12.524 4.683 1.00 12.42 H new ATOM 0 HH12 ARG A 39 3.336 -13.116 4.228 1.00 12.42 H new ATOM 0 HH21 ARG A 39 2.694 -13.042 0.774 1.00 31.12 H new ATOM 0 HH22 ARG A 39 3.870 -13.406 2.040 1.00 31.12 H new ATOM 679 N LEU A 40 -5.498 -11.539 5.004 1.00 24.13 N ATOM 680 CA LEU A 40 -6.366 -10.624 5.745 1.00 13.11 C ATOM 681 C LEU A 40 -5.510 -9.457 6.264 1.00 0.00 C ATOM 682 O LEU A 40 -4.737 -9.622 7.212 1.00 5.41 O ATOM 683 CB LEU A 40 -7.067 -11.362 6.922 1.00 71.43 C ATOM 684 CG LEU A 40 -7.917 -10.463 7.890 1.00 70.34 C ATOM 685 CD1 LEU A 40 -9.007 -9.664 7.138 1.00 71.24 C ATOM 686 CD2 LEU A 40 -8.519 -11.306 9.028 1.00 12.03 C ATOM 0 H LEU A 40 -5.058 -12.245 5.594 1.00 24.13 H new ATOM 0 HA LEU A 40 -7.148 -10.243 5.088 1.00 13.11 H new ATOM 0 HB2 LEU A 40 -7.719 -12.131 6.506 1.00 71.43 H new ATOM 0 HB3 LEU A 40 -6.305 -11.874 7.509 1.00 71.43 H new ATOM 0 HG LEU A 40 -7.242 -9.729 8.331 1.00 70.34 H new ATOM 0 HD11 LEU A 40 -9.569 -9.057 7.848 1.00 71.24 H new ATOM 0 HD12 LEU A 40 -8.538 -9.015 6.398 1.00 71.24 H new ATOM 0 HD13 LEU A 40 -9.684 -10.355 6.636 1.00 71.24 H new ATOM 0 HD21 LEU A 40 -9.104 -10.664 9.687 1.00 12.03 H new ATOM 0 HD22 LEU A 40 -9.164 -12.078 8.607 1.00 12.03 H new ATOM 0 HD23 LEU A 40 -7.716 -11.775 9.597 1.00 12.03 H new ATOM 698 N PHE A 41 -5.608 -8.307 5.586 1.00 64.15 N ATOM 699 CA PHE A 41 -4.953 -7.060 6.006 1.00 70.44 C ATOM 700 C PHE A 41 -5.834 -6.341 7.032 1.00 62.40 C ATOM 701 O PHE A 41 -7.022 -6.120 6.791 1.00 71.21 O ATOM 702 CB PHE A 41 -4.677 -6.143 4.782 1.00 62.13 C ATOM 703 CG PHE A 41 -3.512 -6.603 3.899 1.00 23.41 C ATOM 704 CD1 PHE A 41 -3.592 -7.773 3.138 1.00 55.34 C ATOM 705 CD2 PHE A 41 -2.322 -5.868 3.848 1.00 65.30 C ATOM 706 CE1 PHE A 41 -2.530 -8.181 2.350 1.00 21.30 C ATOM 707 CE2 PHE A 41 -1.265 -6.283 3.062 1.00 13.00 C ATOM 708 CZ PHE A 41 -1.368 -7.437 2.316 1.00 61.41 C ATOM 0 H PHE A 41 -6.147 -8.214 4.725 1.00 64.15 H new ATOM 0 HA PHE A 41 -3.994 -7.300 6.465 1.00 70.44 H new ATOM 0 HB2 PHE A 41 -5.579 -6.088 4.173 1.00 62.13 H new ATOM 0 HB3 PHE A 41 -4.471 -5.134 5.138 1.00 62.13 H new ATOM 0 HD1 PHE A 41 -4.494 -8.366 3.165 1.00 55.34 H new ATOM 0 HD2 PHE A 41 -2.229 -4.964 4.431 1.00 65.30 H new ATOM 0 HE1 PHE A 41 -2.611 -9.083 1.761 1.00 21.30 H new ATOM 0 HE2 PHE A 41 -0.355 -5.702 3.032 1.00 13.00 H new ATOM 0 HZ PHE A 41 -0.539 -7.760 1.704 1.00 61.41 H new ATOM 718 N VAL A 42 -5.236 -6.023 8.184 1.00 30.35 N ATOM 719 CA VAL A 42 -5.886 -5.301 9.286 1.00 5.03 C ATOM 720 C VAL A 42 -5.120 -3.990 9.532 1.00 52.34 C ATOM 721 O VAL A 42 -3.908 -4.014 9.787 1.00 70.11 O ATOM 722 CB VAL A 42 -5.912 -6.178 10.604 1.00 61.04 C ATOM 723 CG1 VAL A 42 -6.528 -5.402 11.798 1.00 13.33 C ATOM 724 CG2 VAL A 42 -6.654 -7.522 10.362 1.00 71.11 C ATOM 0 H VAL A 42 -4.265 -6.265 8.382 1.00 30.35 H new ATOM 0 HA VAL A 42 -6.919 -5.085 9.015 1.00 5.03 H new ATOM 0 HB VAL A 42 -4.879 -6.406 10.867 1.00 61.04 H new ATOM 0 HG11 VAL A 42 -6.528 -6.037 12.684 1.00 13.33 H new ATOM 0 HG12 VAL A 42 -5.938 -4.507 11.994 1.00 13.33 H new ATOM 0 HG13 VAL A 42 -7.552 -5.116 11.557 1.00 13.33 H new ATOM 0 HG21 VAL A 42 -6.658 -8.106 11.282 1.00 71.11 H new ATOM 0 HG22 VAL A 42 -7.680 -7.321 10.055 1.00 71.11 H new ATOM 0 HG23 VAL A 42 -6.145 -8.083 9.578 1.00 71.11 H new ATOM 734 N LEU A 43 -5.823 -2.852 9.432 1.00 60.44 N ATOM 735 CA LEU A 43 -5.262 -1.524 9.711 1.00 52.24 C ATOM 736 C LEU A 43 -5.807 -1.060 11.057 1.00 4.34 C ATOM 737 O LEU A 43 -7.008 -0.828 11.193 1.00 23.45 O ATOM 738 CB LEU A 43 -5.639 -0.495 8.608 1.00 64.44 C ATOM 739 CG LEU A 43 -5.197 0.992 8.869 1.00 71.12 C ATOM 740 CD1 LEU A 43 -3.662 1.129 9.017 1.00 23.31 C ATOM 741 CD2 LEU A 43 -5.757 1.939 7.784 1.00 71.13 C ATOM 0 H LEU A 43 -6.804 -2.829 9.153 1.00 60.44 H new ATOM 0 HA LEU A 43 -4.174 -1.592 9.729 1.00 52.24 H new ATOM 0 HB2 LEU A 43 -5.198 -0.824 7.667 1.00 64.44 H new ATOM 0 HB3 LEU A 43 -6.721 -0.513 8.477 1.00 64.44 H new ATOM 0 HG LEU A 43 -5.627 1.294 9.824 1.00 71.12 H new ATOM 0 HD11 LEU A 43 -3.405 2.173 9.196 1.00 23.31 H new ATOM 0 HD12 LEU A 43 -3.322 0.523 9.857 1.00 23.31 H new ATOM 0 HD13 LEU A 43 -3.176 0.788 8.103 1.00 23.31 H new ATOM 0 HD21 LEU A 43 -5.435 2.960 7.991 1.00 71.13 H new ATOM 0 HD22 LEU A 43 -5.385 1.632 6.806 1.00 71.13 H new ATOM 0 HD23 LEU A 43 -6.846 1.894 7.789 1.00 71.13 H new ATOM 753 N THR A 44 -4.929 -0.988 12.046 1.00 32.41 N ATOM 754 CA THR A 44 -5.215 -0.360 13.340 1.00 50.12 C ATOM 755 C THR A 44 -4.680 1.080 13.328 1.00 74.41 C ATOM 756 O THR A 44 -3.998 1.493 12.379 1.00 72.15 O ATOM 757 CB THR A 44 -4.561 -1.173 14.502 1.00 33.32 C ATOM 758 OG1 THR A 44 -3.149 -1.278 14.270 1.00 3.25 O ATOM 759 CG2 THR A 44 -5.162 -2.585 14.629 1.00 33.53 C ATOM 0 H THR A 44 -3.984 -1.367 11.978 1.00 32.41 H new ATOM 0 HA THR A 44 -6.293 -0.347 13.504 1.00 50.12 H new ATOM 0 HB THR A 44 -4.759 -0.642 15.433 1.00 33.32 H new ATOM 0 HG1 THR A 44 -2.949 -1.017 13.347 1.00 3.25 H new ATOM 0 HG21 THR A 44 -4.677 -3.114 15.449 1.00 33.53 H new ATOM 0 HG22 THR A 44 -6.231 -2.509 14.827 1.00 33.53 H new ATOM 0 HG23 THR A 44 -5.004 -3.133 13.700 1.00 33.53 H new ATOM 767 N LYS A 45 -4.961 1.832 14.400 1.00 63.32 N ATOM 768 CA LYS A 45 -4.558 3.246 14.516 1.00 23.43 C ATOM 769 C LYS A 45 -3.054 3.417 14.841 1.00 50.21 C ATOM 770 O LYS A 45 -2.586 4.549 14.998 1.00 54.51 O ATOM 771 CB LYS A 45 -5.415 3.949 15.593 1.00 25.54 C ATOM 772 CG LYS A 45 -6.934 3.964 15.310 1.00 5.34 C ATOM 773 CD LYS A 45 -7.734 4.671 16.432 1.00 63.33 C ATOM 774 CE LYS A 45 -7.518 4.013 17.809 1.00 12.14 C ATOM 775 NZ LYS A 45 -8.237 4.725 18.893 1.00 22.43 N ATOM 0 H LYS A 45 -5.472 1.482 15.210 1.00 63.32 H new ATOM 0 HA LYS A 45 -4.727 3.708 13.543 1.00 23.43 H new ATOM 0 HB2 LYS A 45 -5.244 3.457 16.551 1.00 25.54 H new ATOM 0 HB3 LYS A 45 -5.070 4.978 15.697 1.00 25.54 H new ATOM 0 HG2 LYS A 45 -7.120 4.468 14.362 1.00 5.34 H new ATOM 0 HG3 LYS A 45 -7.291 2.940 15.202 1.00 5.34 H new ATOM 0 HD2 LYS A 45 -7.437 5.719 16.482 1.00 63.33 H new ATOM 0 HD3 LYS A 45 -8.796 4.652 16.185 1.00 63.33 H new ATOM 0 HE2 LYS A 45 -7.856 2.977 17.771 1.00 12.14 H new ATOM 0 HE3 LYS A 45 -6.452 3.992 18.036 1.00 12.14 H new ATOM 0 HZ1 LYS A 45 -8.061 4.246 19.799 1.00 22.43 H new ATOM 0 HZ2 LYS A 45 -7.897 5.706 18.949 1.00 22.43 H new ATOM 0 HZ3 LYS A 45 -9.257 4.723 18.692 1.00 22.43 H new ATOM 789 N SER A 46 -2.303 2.306 14.949 1.00 51.24 N ATOM 790 CA SER A 46 -0.858 2.336 15.262 1.00 23.33 C ATOM 791 C SER A 46 -0.044 1.522 14.232 1.00 74.14 C ATOM 792 O SER A 46 1.064 1.919 13.854 1.00 61.55 O ATOM 793 CB SER A 46 -0.628 1.798 16.696 1.00 33.11 C ATOM 794 OG SER A 46 -1.359 2.555 17.643 1.00 53.33 O ATOM 0 H SER A 46 -2.676 1.365 14.823 1.00 51.24 H new ATOM 0 HA SER A 46 -0.510 3.368 15.207 1.00 23.33 H new ATOM 0 HB2 SER A 46 -0.930 0.752 16.749 1.00 33.11 H new ATOM 0 HB3 SER A 46 0.434 1.835 16.937 1.00 33.11 H new ATOM 0 HG SER A 46 -1.200 2.197 18.541 1.00 53.33 H new ATOM 800 N MET A 47 -0.609 0.393 13.760 1.00 11.42 N ATOM 801 CA MET A 47 0.097 -0.558 12.864 1.00 70.34 C ATOM 802 C MET A 47 -0.776 -0.972 11.658 1.00 54.13 C ATOM 803 O MET A 47 -2.000 -0.837 11.677 1.00 63.03 O ATOM 804 CB MET A 47 0.521 -1.826 13.670 1.00 1.43 C ATOM 805 CG MET A 47 1.597 -1.595 14.745 1.00 53.10 C ATOM 806 SD MET A 47 1.735 -2.969 15.918 1.00 5.30 S ATOM 807 CE MET A 47 1.905 -4.393 14.838 1.00 21.13 C ATOM 0 H MET A 47 -1.563 0.111 13.985 1.00 11.42 H new ATOM 0 HA MET A 47 0.981 -0.053 12.474 1.00 70.34 H new ATOM 0 HB2 MET A 47 -0.364 -2.244 14.150 1.00 1.43 H new ATOM 0 HB3 MET A 47 0.887 -2.576 12.969 1.00 1.43 H new ATOM 0 HG2 MET A 47 2.561 -1.442 14.259 1.00 53.10 H new ATOM 0 HG3 MET A 47 1.366 -0.680 15.291 1.00 53.10 H new ATOM 0 HE1 MET A 47 2.515 -5.151 15.329 1.00 21.13 H new ATOM 0 HE2 MET A 47 0.919 -4.805 14.621 1.00 21.13 H new ATOM 0 HE3 MET A 47 2.384 -4.089 13.907 1.00 21.13 H new ATOM 817 N LEU A 48 -0.094 -1.466 10.611 1.00 14.34 N ATOM 818 CA LEU A 48 -0.703 -2.173 9.473 1.00 21.42 C ATOM 819 C LEU A 48 -0.125 -3.603 9.464 1.00 62.22 C ATOM 820 O LEU A 48 1.059 -3.798 9.163 1.00 75.42 O ATOM 821 CB LEU A 48 -0.391 -1.433 8.139 1.00 31.15 C ATOM 822 CG LEU A 48 -0.928 -2.107 6.825 1.00 21.45 C ATOM 823 CD1 LEU A 48 -2.471 -2.236 6.835 1.00 23.02 C ATOM 824 CD2 LEU A 48 -0.428 -1.349 5.570 1.00 1.22 C ATOM 0 H LEU A 48 0.919 -1.383 10.531 1.00 14.34 H new ATOM 0 HA LEU A 48 -1.788 -2.204 9.571 1.00 21.42 H new ATOM 0 HB2 LEU A 48 -0.806 -0.427 8.201 1.00 31.15 H new ATOM 0 HB3 LEU A 48 0.690 -1.327 8.052 1.00 31.15 H new ATOM 0 HG LEU A 48 -0.526 -3.119 6.786 1.00 21.45 H new ATOM 0 HD11 LEU A 48 -2.803 -2.707 5.910 1.00 23.02 H new ATOM 0 HD12 LEU A 48 -2.780 -2.847 7.684 1.00 23.02 H new ATOM 0 HD13 LEU A 48 -2.918 -1.246 6.919 1.00 23.02 H new ATOM 0 HD21 LEU A 48 -0.813 -1.835 4.674 1.00 1.22 H new ATOM 0 HD22 LEU A 48 -0.780 -0.318 5.603 1.00 1.22 H new ATOM 0 HD23 LEU A 48 0.662 -1.360 5.549 1.00 1.22 H new ATOM 836 N THR A 49 -0.947 -4.586 9.855 1.00 43.44 N ATOM 837 CA THR A 49 -0.528 -5.997 9.982 1.00 50.54 C ATOM 838 C THR A 49 -1.491 -6.910 9.209 1.00 50.23 C ATOM 839 O THR A 49 -2.705 -6.855 9.415 1.00 30.40 O ATOM 840 CB THR A 49 -0.487 -6.429 11.488 1.00 44.13 C ATOM 841 OG1 THR A 49 0.347 -5.518 12.229 1.00 4.33 O ATOM 842 CG2 THR A 49 0.029 -7.871 11.678 1.00 2.40 C ATOM 0 H THR A 49 -1.926 -4.429 10.094 1.00 43.44 H new ATOM 0 HA THR A 49 0.473 -6.093 9.561 1.00 50.54 H new ATOM 0 HB THR A 49 -1.511 -6.399 11.861 1.00 44.13 H new ATOM 0 HG1 THR A 49 1.090 -6.011 12.636 1.00 4.33 H new ATOM 0 HG21 THR A 49 0.037 -8.118 12.740 1.00 2.40 H new ATOM 0 HG22 THR A 49 -0.625 -8.564 11.149 1.00 2.40 H new ATOM 0 HG23 THR A 49 1.040 -7.951 11.280 1.00 2.40 H new ATOM 850 N TYR A 50 -0.931 -7.771 8.348 1.00 33.44 N ATOM 851 CA TYR A 50 -1.705 -8.764 7.573 1.00 2.12 C ATOM 852 C TYR A 50 -1.585 -10.152 8.214 1.00 63.51 C ATOM 853 O TYR A 50 -0.793 -10.344 9.140 1.00 35.11 O ATOM 854 CB TYR A 50 -1.251 -8.782 6.090 1.00 42.24 C ATOM 855 CG TYR A 50 0.274 -8.796 5.859 1.00 65.41 C ATOM 856 CD1 TYR A 50 1.021 -9.978 5.921 1.00 0.41 C ATOM 857 CD2 TYR A 50 0.968 -7.616 5.549 1.00 21.43 C ATOM 858 CE1 TYR A 50 2.381 -9.985 5.683 1.00 43.24 C ATOM 859 CE2 TYR A 50 2.331 -7.626 5.315 1.00 24.33 C ATOM 860 CZ TYR A 50 3.026 -8.812 5.382 1.00 61.43 C ATOM 861 OH TYR A 50 4.380 -8.821 5.138 1.00 31.12 O ATOM 0 H TYR A 50 0.072 -7.803 8.166 1.00 33.44 H new ATOM 0 HA TYR A 50 -2.756 -8.476 7.589 1.00 2.12 H new ATOM 0 HB2 TYR A 50 -1.681 -9.660 5.608 1.00 42.24 H new ATOM 0 HB3 TYR A 50 -1.668 -7.907 5.591 1.00 42.24 H new ATOM 0 HD1 TYR A 50 0.522 -10.906 6.160 1.00 0.41 H new ATOM 0 HD2 TYR A 50 0.427 -6.683 5.492 1.00 21.43 H new ATOM 0 HE1 TYR A 50 2.935 -10.911 5.734 1.00 43.24 H new ATOM 0 HE2 TYR A 50 2.848 -6.707 5.081 1.00 24.33 H new ATOM 0 HH TYR A 50 4.683 -7.910 4.939 1.00 31.12 H new ATOM 871 N TYR A 51 -2.389 -11.104 7.706 1.00 40.43 N ATOM 872 CA TYR A 51 -2.521 -12.466 8.275 1.00 55.20 C ATOM 873 C TYR A 51 -2.764 -13.482 7.150 1.00 62.25 C ATOM 874 O TYR A 51 -3.668 -13.290 6.344 1.00 23.32 O ATOM 875 CB TYR A 51 -3.701 -12.517 9.294 1.00 73.43 C ATOM 876 CG TYR A 51 -3.493 -11.668 10.558 1.00 62.41 C ATOM 877 CD1 TYR A 51 -2.694 -12.132 11.608 1.00 14.23 C ATOM 878 CD2 TYR A 51 -4.069 -10.394 10.699 1.00 51.13 C ATOM 879 CE1 TYR A 51 -2.485 -11.366 12.742 1.00 60.35 C ATOM 880 CE2 TYR A 51 -3.850 -9.626 11.830 1.00 4.44 C ATOM 881 CZ TYR A 51 -3.060 -10.116 12.847 1.00 54.30 C ATOM 882 OH TYR A 51 -2.829 -9.348 13.973 1.00 40.03 O ATOM 0 H TYR A 51 -2.972 -10.952 6.883 1.00 40.43 H new ATOM 0 HA TYR A 51 -1.596 -12.718 8.794 1.00 55.20 H new ATOM 0 HB2 TYR A 51 -4.610 -12.183 8.794 1.00 73.43 H new ATOM 0 HB3 TYR A 51 -3.863 -13.553 9.591 1.00 73.43 H new ATOM 0 HD1 TYR A 51 -2.232 -13.105 11.533 1.00 14.23 H new ATOM 0 HD2 TYR A 51 -4.695 -10.006 9.909 1.00 51.13 H new ATOM 0 HE1 TYR A 51 -1.872 -11.747 13.545 1.00 60.35 H new ATOM 0 HE2 TYR A 51 -4.297 -8.646 11.915 1.00 4.44 H new ATOM 0 HH TYR A 51 -3.305 -8.495 13.891 1.00 40.03 H new ATOM 1081 N PHE A 63 5.245 -7.058 9.458 1.00 53.42 N ATOM 1082 CA PHE A 63 4.280 -5.999 9.783 1.00 1.33 C ATOM 1083 C PHE A 63 4.958 -4.630 9.711 1.00 0.32 C ATOM 1084 O PHE A 63 6.191 -4.515 9.799 1.00 75.32 O ATOM 1085 CB PHE A 63 3.650 -6.231 11.193 1.00 24.03 C ATOM 1086 CG PHE A 63 4.652 -6.308 12.354 1.00 53.33 C ATOM 1087 CD1 PHE A 63 5.094 -5.156 13.019 1.00 24.10 C ATOM 1088 CD2 PHE A 63 5.158 -7.540 12.776 1.00 23.35 C ATOM 1089 CE1 PHE A 63 5.997 -5.239 14.063 1.00 43.01 C ATOM 1090 CE2 PHE A 63 6.061 -7.618 13.822 1.00 62.04 C ATOM 1091 CZ PHE A 63 6.480 -6.469 14.463 1.00 40.25 C ATOM 0 HA PHE A 63 3.474 -6.029 9.049 1.00 1.33 H new ATOM 0 HB2 PHE A 63 2.946 -5.424 11.395 1.00 24.03 H new ATOM 0 HB3 PHE A 63 3.076 -7.157 11.168 1.00 24.03 H new ATOM 0 HD1 PHE A 63 4.724 -4.189 12.711 1.00 24.10 H new ATOM 0 HD2 PHE A 63 4.840 -8.444 12.279 1.00 23.35 H new ATOM 0 HE1 PHE A 63 6.325 -4.341 14.566 1.00 43.01 H new ATOM 0 HE2 PHE A 63 6.439 -8.579 14.137 1.00 62.04 H new ATOM 0 HZ PHE A 63 7.186 -6.533 15.278 1.00 40.25 H new ATOM 1101 N ILE A 64 4.128 -3.596 9.576 1.00 41.14 N ATOM 1102 CA ILE A 64 4.559 -2.213 9.359 1.00 41.34 C ATOM 1103 C ILE A 64 3.896 -1.344 10.441 1.00 75.43 C ATOM 1104 O ILE A 64 2.801 -1.665 10.912 1.00 43.41 O ATOM 1105 CB ILE A 64 4.148 -1.696 7.919 1.00 52.03 C ATOM 1106 CG1 ILE A 64 4.615 -2.684 6.798 1.00 60.33 C ATOM 1107 CG2 ILE A 64 4.713 -0.274 7.649 1.00 14.32 C ATOM 1108 CD1 ILE A 64 4.174 -2.309 5.393 1.00 11.14 C ATOM 0 H ILE A 64 3.114 -3.698 9.615 1.00 41.14 H new ATOM 0 HA ILE A 64 5.646 -2.155 9.422 1.00 41.34 H new ATOM 0 HB ILE A 64 3.059 -1.646 7.896 1.00 52.03 H new ATOM 0 HG12 ILE A 64 5.703 -2.745 6.818 1.00 60.33 H new ATOM 0 HG13 ILE A 64 4.235 -3.679 7.029 1.00 60.33 H new ATOM 0 HG21 ILE A 64 4.414 0.053 6.653 1.00 14.32 H new ATOM 0 HG22 ILE A 64 4.321 0.420 8.392 1.00 14.32 H new ATOM 0 HG23 ILE A 64 5.801 -0.297 7.712 1.00 14.32 H new ATOM 0 HD11 ILE A 64 4.544 -3.051 4.685 1.00 11.14 H new ATOM 0 HD12 ILE A 64 3.085 -2.277 5.350 1.00 11.14 H new ATOM 0 HD13 ILE A 64 4.576 -1.329 5.135 1.00 11.14 H new ATOM 1120 N ASP A 65 4.584 -0.284 10.856 1.00 65.11 N ATOM 1121 CA ASP A 65 4.013 0.754 11.714 1.00 15.12 C ATOM 1122 C ASP A 65 3.586 1.917 10.810 1.00 45.33 C ATOM 1123 O ASP A 65 4.219 2.148 9.770 1.00 51.24 O ATOM 1124 CB ASP A 65 5.039 1.216 12.776 1.00 22.34 C ATOM 1125 CG ASP A 65 4.422 2.130 13.850 1.00 34.04 C ATOM 1126 OD1 ASP A 65 3.931 1.607 14.873 1.00 64.34 O ATOM 1127 OD2 ASP A 65 4.430 3.369 13.684 1.00 50.31 O ATOM 0 H ASP A 65 5.559 -0.119 10.606 1.00 65.11 H new ATOM 0 HA ASP A 65 3.151 0.368 12.258 1.00 15.12 H new ATOM 0 HB2 ASP A 65 5.474 0.341 13.258 1.00 22.34 H new ATOM 0 HB3 ASP A 65 5.853 1.745 12.281 1.00 22.34 H new ATOM 1132 N VAL A 66 2.504 2.617 11.170 1.00 14.40 N ATOM 1133 CA VAL A 66 1.974 3.747 10.375 1.00 2.43 C ATOM 1134 C VAL A 66 3.043 4.858 10.176 1.00 34.41 C ATOM 1135 O VAL A 66 3.116 5.476 9.106 1.00 22.13 O ATOM 1136 CB VAL A 66 0.668 4.342 11.025 1.00 31.45 C ATOM 1137 CG1 VAL A 66 0.179 5.589 10.260 1.00 54.04 C ATOM 1138 CG2 VAL A 66 -0.457 3.270 11.103 1.00 34.23 C ATOM 0 H VAL A 66 1.968 2.423 12.016 1.00 14.40 H new ATOM 0 HA VAL A 66 1.715 3.354 9.392 1.00 2.43 H new ATOM 0 HB VAL A 66 0.918 4.648 12.041 1.00 31.45 H new ATOM 0 HG11 VAL A 66 -0.724 5.976 10.733 1.00 54.04 H new ATOM 0 HG12 VAL A 66 0.955 6.355 10.278 1.00 54.04 H new ATOM 0 HG13 VAL A 66 -0.040 5.319 9.227 1.00 54.04 H new ATOM 0 HG21 VAL A 66 -1.346 3.708 11.556 1.00 34.23 H new ATOM 0 HG22 VAL A 66 -0.696 2.920 10.099 1.00 34.23 H new ATOM 0 HG23 VAL A 66 -0.118 2.430 11.709 1.00 34.23 H new ATOM 1148 N SER A 67 3.909 5.056 11.188 1.00 20.33 N ATOM 1149 CA SER A 67 4.978 6.078 11.156 1.00 70.24 C ATOM 1150 C SER A 67 6.214 5.614 10.359 1.00 4.24 C ATOM 1151 O SER A 67 7.129 6.412 10.126 1.00 30.22 O ATOM 1152 CB SER A 67 5.374 6.474 12.588 1.00 53.20 C ATOM 1153 OG SER A 67 4.258 7.018 13.264 1.00 55.12 O ATOM 0 H SER A 67 3.889 4.513 12.051 1.00 20.33 H new ATOM 0 HA SER A 67 4.579 6.950 10.638 1.00 70.24 H new ATOM 0 HB2 SER A 67 5.746 5.602 13.126 1.00 53.20 H new ATOM 0 HB3 SER A 67 6.185 7.202 12.562 1.00 53.20 H new ATOM 0 HG SER A 67 4.517 7.267 14.176 1.00 55.12 H new ATOM 1159 N LYS A 68 6.251 4.324 9.975 1.00 3.34 N ATOM 1160 CA LYS A 68 7.255 3.796 9.024 1.00 55.24 C ATOM 1161 C LYS A 68 6.863 4.146 7.579 1.00 13.23 C ATOM 1162 O LYS A 68 7.730 4.226 6.703 1.00 24.31 O ATOM 1163 CB LYS A 68 7.417 2.256 9.178 1.00 0.40 C ATOM 1164 CG LYS A 68 8.073 1.816 10.501 1.00 45.02 C ATOM 1165 CD LYS A 68 9.538 2.296 10.622 1.00 60.01 C ATOM 1166 CE LYS A 68 10.198 1.866 11.936 1.00 33.01 C ATOM 1167 NZ LYS A 68 11.621 2.284 12.002 1.00 4.35 N ATOM 0 H LYS A 68 5.592 3.621 10.311 1.00 3.34 H new ATOM 0 HA LYS A 68 8.212 4.264 9.253 1.00 55.24 H new ATOM 0 HB2 LYS A 68 6.435 1.790 9.100 1.00 0.40 H new ATOM 0 HB3 LYS A 68 8.015 1.881 8.347 1.00 0.40 H new ATOM 0 HG2 LYS A 68 7.495 2.208 11.338 1.00 45.02 H new ATOM 0 HG3 LYS A 68 8.043 0.729 10.574 1.00 45.02 H new ATOM 0 HD2 LYS A 68 10.115 1.902 9.785 1.00 60.01 H new ATOM 0 HD3 LYS A 68 9.567 3.383 10.545 1.00 60.01 H new ATOM 0 HE2 LYS A 68 9.653 2.299 12.775 1.00 33.01 H new ATOM 0 HE3 LYS A 68 10.132 0.783 12.038 1.00 33.01 H new ATOM 0 HZ1 LYS A 68 12.032 1.975 12.906 1.00 4.35 H new ATOM 0 HZ2 LYS A 68 12.147 1.851 11.216 1.00 4.35 H new ATOM 0 HZ3 LYS A 68 11.682 3.320 11.930 1.00 4.35 H new ATOM 1181 N ILE A 69 5.554 4.358 7.347 1.00 51.12 N ATOM 1182 CA ILE A 69 5.012 4.662 6.017 1.00 61.42 C ATOM 1183 C ILE A 69 5.348 6.120 5.619 1.00 51.20 C ATOM 1184 O ILE A 69 5.284 7.042 6.442 1.00 44.14 O ATOM 1185 CB ILE A 69 3.460 4.432 5.957 1.00 15.13 C ATOM 1186 CG1 ILE A 69 3.076 3.007 6.479 1.00 15.31 C ATOM 1187 CG2 ILE A 69 2.926 4.658 4.519 1.00 31.23 C ATOM 1188 CD1 ILE A 69 1.573 2.740 6.584 1.00 2.22 C ATOM 0 H ILE A 69 4.845 4.322 8.080 1.00 51.12 H new ATOM 0 HA ILE A 69 5.479 3.979 5.308 1.00 61.42 H new ATOM 0 HB ILE A 69 2.989 5.163 6.614 1.00 15.13 H new ATOM 0 HG12 ILE A 69 3.516 2.263 5.816 1.00 15.31 H new ATOM 0 HG13 ILE A 69 3.525 2.863 7.462 1.00 15.31 H new ATOM 0 HG21 ILE A 69 1.849 4.493 4.501 1.00 31.23 H new ATOM 0 HG22 ILE A 69 3.142 5.680 4.207 1.00 31.23 H new ATOM 0 HG23 ILE A 69 3.411 3.960 3.837 1.00 31.23 H new ATOM 0 HD11 ILE A 69 1.408 1.728 6.954 1.00 2.22 H new ATOM 0 HD12 ILE A 69 1.124 3.456 7.272 1.00 2.22 H new ATOM 0 HD13 ILE A 69 1.115 2.846 5.600 1.00 2.22 H new ATOM 1200 N LYS A 70 5.695 6.283 4.339 1.00 54.42 N ATOM 1201 CA LYS A 70 6.187 7.539 3.745 1.00 12.22 C ATOM 1202 C LYS A 70 5.263 8.000 2.593 1.00 2.03 C ATOM 1203 O LYS A 70 5.184 9.195 2.295 1.00 13.31 O ATOM 1204 CB LYS A 70 7.631 7.325 3.222 1.00 20.14 C ATOM 1205 CG LYS A 70 8.619 6.799 4.291 1.00 12.04 C ATOM 1206 CD LYS A 70 10.057 6.615 3.758 1.00 31.44 C ATOM 1207 CE LYS A 70 10.170 5.544 2.658 1.00 64.34 C ATOM 1208 NZ LYS A 70 11.579 5.346 2.221 1.00 35.23 N ATOM 0 H LYS A 70 5.641 5.522 3.662 1.00 54.42 H new ATOM 0 HA LYS A 70 6.187 8.317 4.508 1.00 12.22 H new ATOM 0 HB2 LYS A 70 7.604 6.621 2.390 1.00 20.14 H new ATOM 0 HB3 LYS A 70 8.007 8.269 2.829 1.00 20.14 H new ATOM 0 HG2 LYS A 70 8.637 7.493 5.132 1.00 12.04 H new ATOM 0 HG3 LYS A 70 8.256 5.845 4.673 1.00 12.04 H new ATOM 0 HD2 LYS A 70 10.416 7.567 3.366 1.00 31.44 H new ATOM 0 HD3 LYS A 70 10.712 6.345 4.586 1.00 31.44 H new ATOM 0 HE2 LYS A 70 9.768 4.600 3.027 1.00 64.34 H new ATOM 0 HE3 LYS A 70 9.562 5.837 1.802 1.00 64.34 H new ATOM 0 HZ1 LYS A 70 11.613 4.617 1.480 1.00 35.23 H new ATOM 0 HZ2 LYS A 70 11.955 6.240 1.845 1.00 35.23 H new ATOM 0 HZ3 LYS A 70 12.155 5.042 3.032 1.00 35.23 H new ATOM 1222 N CYS A 71 4.572 7.033 1.961 1.00 60.51 N ATOM 1223 CA CYS A 71 3.654 7.281 0.826 1.00 70.25 C ATOM 1224 C CYS A 71 2.646 6.123 0.704 1.00 12.51 C ATOM 1225 O CYS A 71 3.009 4.966 0.930 1.00 32.31 O ATOM 1226 CB CYS A 71 4.427 7.423 -0.515 1.00 73.22 C ATOM 1227 SG CYS A 71 5.514 8.858 -0.629 1.00 53.15 S ATOM 0 H CYS A 71 4.633 6.049 2.223 1.00 60.51 H new ATOM 0 HA CYS A 71 3.131 8.217 1.024 1.00 70.25 H new ATOM 0 HB2 CYS A 71 5.023 6.523 -0.669 1.00 73.22 H new ATOM 0 HB3 CYS A 71 3.704 7.470 -1.329 1.00 73.22 H new ATOM 0 HG CYS A 71 5.582 9.444 0.530 1.00 53.15 H new ATOM 1233 N VAL A 72 1.380 6.455 0.376 1.00 14.52 N ATOM 1234 CA VAL A 72 0.354 5.476 -0.050 1.00 40.44 C ATOM 1235 C VAL A 72 -0.438 6.058 -1.237 1.00 71.30 C ATOM 1236 O VAL A 72 -1.158 7.059 -1.086 1.00 45.53 O ATOM 1237 CB VAL A 72 -0.654 5.069 1.095 1.00 73.40 C ATOM 1238 CG1 VAL A 72 -1.718 4.075 0.561 1.00 0.42 C ATOM 1239 CG2 VAL A 72 0.085 4.472 2.310 1.00 34.44 C ATOM 0 H VAL A 72 1.037 7.415 0.399 1.00 14.52 H new ATOM 0 HA VAL A 72 0.888 4.568 -0.332 1.00 40.44 H new ATOM 0 HB VAL A 72 -1.162 5.975 1.426 1.00 73.40 H new ATOM 0 HG11 VAL A 72 -2.402 3.808 1.366 1.00 0.42 H new ATOM 0 HG12 VAL A 72 -2.277 4.541 -0.250 1.00 0.42 H new ATOM 0 HG13 VAL A 72 -1.224 3.177 0.192 1.00 0.42 H new ATOM 0 HG21 VAL A 72 -0.638 4.203 3.080 1.00 34.44 H new ATOM 0 HG22 VAL A 72 0.634 3.583 2.001 1.00 34.44 H new ATOM 0 HG23 VAL A 72 0.782 5.208 2.709 1.00 34.44 H new ATOM 1249 N GLU A 73 -0.275 5.427 -2.405 1.00 43.14 N ATOM 1250 CA GLU A 73 -0.957 5.786 -3.667 1.00 35.23 C ATOM 1251 C GLU A 73 -1.041 4.545 -4.555 1.00 33.14 C ATOM 1252 O GLU A 73 -0.453 3.529 -4.230 1.00 23.13 O ATOM 1253 CB GLU A 73 -0.231 6.971 -4.419 1.00 61.55 C ATOM 1254 CG GLU A 73 -1.012 8.307 -4.420 1.00 43.24 C ATOM 1255 CD GLU A 73 -2.283 8.320 -5.311 1.00 43.04 C ATOM 1256 OE1 GLU A 73 -3.140 7.415 -5.201 1.00 14.23 O ATOM 1257 OE2 GLU A 73 -2.454 9.275 -6.100 1.00 54.32 O ATOM 0 H GLU A 73 0.352 4.629 -2.508 1.00 43.14 H new ATOM 0 HA GLU A 73 -1.961 6.139 -3.431 1.00 35.23 H new ATOM 0 HB2 GLU A 73 0.743 7.135 -3.957 1.00 61.55 H new ATOM 0 HB3 GLU A 73 -0.048 6.671 -5.451 1.00 61.55 H new ATOM 0 HG2 GLU A 73 -1.301 8.543 -3.396 1.00 43.24 H new ATOM 0 HG3 GLU A 73 -0.344 9.101 -4.753 1.00 43.24 H new ATOM 1264 N ILE A 74 -1.784 4.624 -5.673 1.00 51.30 N ATOM 1265 CA ILE A 74 -1.828 3.527 -6.664 1.00 1.21 C ATOM 1266 C ILE A 74 -0.512 3.426 -7.437 1.00 5.10 C ATOM 1267 O ILE A 74 0.322 4.346 -7.437 1.00 21.24 O ATOM 1268 CB ILE A 74 -3.012 3.653 -7.707 1.00 23.41 C ATOM 1269 CG1 ILE A 74 -3.033 5.059 -8.393 1.00 32.43 C ATOM 1270 CG2 ILE A 74 -4.358 3.316 -7.060 1.00 22.34 C ATOM 1271 CD1 ILE A 74 -4.124 5.234 -9.445 1.00 21.34 C ATOM 0 H ILE A 74 -2.360 5.430 -5.915 1.00 51.30 H new ATOM 0 HA ILE A 74 -1.998 2.626 -6.074 1.00 1.21 H new ATOM 0 HB ILE A 74 -2.835 2.920 -8.494 1.00 23.41 H new ATOM 0 HG12 ILE A 74 -3.161 5.822 -7.625 1.00 32.43 H new ATOM 0 HG13 ILE A 74 -2.064 5.236 -8.860 1.00 32.43 H new ATOM 0 HG21 ILE A 74 -5.152 3.411 -7.801 1.00 22.34 H new ATOM 0 HG22 ILE A 74 -4.335 2.294 -6.683 1.00 22.34 H new ATOM 0 HG23 ILE A 74 -4.547 4.003 -6.235 1.00 22.34 H new ATOM 0 HD11 ILE A 74 -4.064 6.237 -9.868 1.00 21.34 H new ATOM 0 HD12 ILE A 74 -3.987 4.498 -10.237 1.00 21.34 H new ATOM 0 HD13 ILE A 74 -5.101 5.093 -8.983 1.00 21.34 H new ATOM 1283 N VAL A 75 -0.354 2.278 -8.083 1.00 3.24 N ATOM 1284 CA VAL A 75 0.680 2.033 -9.073 1.00 30.30 C ATOM 1285 C VAL A 75 0.062 2.426 -10.419 1.00 64.52 C ATOM 1286 O VAL A 75 -0.956 1.839 -10.817 1.00 71.51 O ATOM 1287 CB VAL A 75 1.113 0.518 -9.089 1.00 2.12 C ATOM 1288 CG1 VAL A 75 2.287 0.276 -10.066 1.00 73.05 C ATOM 1289 CG2 VAL A 75 1.455 0.030 -7.661 1.00 51.14 C ATOM 0 H VAL A 75 -0.959 1.472 -7.927 1.00 3.24 H new ATOM 0 HA VAL A 75 1.580 2.607 -8.852 1.00 30.30 H new ATOM 0 HB VAL A 75 0.268 -0.068 -9.450 1.00 2.12 H new ATOM 0 HG11 VAL A 75 2.560 -0.779 -10.052 1.00 73.05 H new ATOM 0 HG12 VAL A 75 1.986 0.560 -11.074 1.00 73.05 H new ATOM 0 HG13 VAL A 75 3.144 0.877 -9.761 1.00 73.05 H new ATOM 0 HG21 VAL A 75 1.751 -1.018 -7.696 1.00 51.14 H new ATOM 0 HG22 VAL A 75 2.275 0.626 -7.260 1.00 51.14 H new ATOM 0 HG23 VAL A 75 0.580 0.139 -7.020 1.00 51.14 H new ATOM 1299 N LYS A 76 0.626 3.462 -11.076 1.00 60.03 N ATOM 1300 CA LYS A 76 0.095 3.975 -12.349 1.00 10.33 C ATOM 1301 C LYS A 76 0.230 2.885 -13.428 1.00 50.30 C ATOM 1302 O LYS A 76 1.314 2.674 -13.995 1.00 55.23 O ATOM 1303 CB LYS A 76 0.820 5.285 -12.761 1.00 24.12 C ATOM 1304 CG LYS A 76 0.673 6.445 -11.742 1.00 31.41 C ATOM 1305 CD LYS A 76 1.378 7.750 -12.191 1.00 22.31 C ATOM 1306 CE LYS A 76 0.826 8.322 -13.510 1.00 64.34 C ATOM 1307 NZ LYS A 76 -0.632 8.611 -13.439 1.00 15.10 N ATOM 0 H LYS A 76 1.452 3.958 -10.741 1.00 60.03 H new ATOM 0 HA LYS A 76 -0.961 4.221 -12.232 1.00 10.33 H new ATOM 0 HB2 LYS A 76 1.880 5.071 -12.900 1.00 24.12 H new ATOM 0 HB3 LYS A 76 0.432 5.613 -13.725 1.00 24.12 H new ATOM 0 HG2 LYS A 76 -0.386 6.648 -11.584 1.00 31.41 H new ATOM 0 HG3 LYS A 76 1.083 6.130 -10.782 1.00 31.41 H new ATOM 0 HD2 LYS A 76 1.272 8.499 -11.407 1.00 22.31 H new ATOM 0 HD3 LYS A 76 2.445 7.557 -12.306 1.00 22.31 H new ATOM 0 HE2 LYS A 76 1.363 9.237 -13.758 1.00 64.34 H new ATOM 0 HE3 LYS A 76 1.014 7.613 -14.317 1.00 64.34 H new ATOM 0 HZ1 LYS A 76 -0.941 9.056 -14.327 1.00 15.10 H new ATOM 0 HZ2 LYS A 76 -1.155 7.724 -13.296 1.00 15.10 H new ATOM 0 HZ3 LYS A 76 -0.820 9.255 -12.645 1.00 15.10 H new ATOM 1382 N ILE A 82 -2.131 -5.672 -15.050 1.00 73.04 N ATOM 1383 CA ILE A 82 -1.507 -6.468 -13.971 1.00 44.15 C ATOM 1384 C ILE A 82 -1.803 -7.986 -14.131 1.00 24.33 C ATOM 1385 O ILE A 82 -2.953 -8.353 -14.385 1.00 50.34 O ATOM 1386 CB ILE A 82 -2.038 -5.971 -12.561 1.00 12.12 C ATOM 1387 CG1 ILE A 82 -1.960 -4.411 -12.445 1.00 62.41 C ATOM 1388 CG2 ILE A 82 -1.275 -6.643 -11.390 1.00 45.41 C ATOM 1389 CD1 ILE A 82 -0.570 -3.820 -12.626 1.00 75.32 C ATOM 0 HA ILE A 82 -0.428 -6.326 -14.035 1.00 44.15 H new ATOM 0 HB ILE A 82 -3.084 -6.269 -12.490 1.00 12.12 H new ATOM 0 HG12 ILE A 82 -2.624 -3.973 -13.190 1.00 62.41 H new ATOM 0 HG13 ILE A 82 -2.339 -4.115 -11.467 1.00 62.41 H new ATOM 0 HG21 ILE A 82 -1.668 -6.276 -10.442 1.00 45.41 H new ATOM 0 HG22 ILE A 82 -1.406 -7.724 -11.443 1.00 45.41 H new ATOM 0 HG23 ILE A 82 -0.214 -6.402 -11.461 1.00 45.41 H new ATOM 0 HD11 ILE A 82 -0.620 -2.736 -12.528 1.00 75.32 H new ATOM 0 HD12 ILE A 82 0.098 -4.223 -11.865 1.00 75.32 H new ATOM 0 HD13 ILE A 82 -0.191 -4.078 -13.615 1.00 75.32 H new ATOM 1401 N PRO A 83 -0.782 -8.896 -13.978 1.00 72.23 N ATOM 1402 CA PRO A 83 -0.993 -10.368 -14.075 1.00 13.51 C ATOM 1403 C PRO A 83 -1.589 -10.995 -12.776 1.00 32.53 C ATOM 1404 O PRO A 83 -1.340 -12.169 -12.469 1.00 60.42 O ATOM 1405 CB PRO A 83 0.435 -10.886 -14.379 1.00 64.15 C ATOM 1406 CG PRO A 83 1.345 -9.923 -13.671 1.00 74.24 C ATOM 1407 CD PRO A 83 0.656 -8.569 -13.735 1.00 30.32 C ATOM 0 HA PRO A 83 -1.729 -10.640 -14.832 1.00 13.51 H new ATOM 0 HB2 PRO A 83 0.574 -11.904 -14.014 1.00 64.15 H new ATOM 0 HB3 PRO A 83 0.631 -10.902 -15.451 1.00 64.15 H new ATOM 0 HG2 PRO A 83 1.508 -10.229 -12.638 1.00 74.24 H new ATOM 0 HG3 PRO A 83 2.323 -9.886 -14.151 1.00 74.24 H new ATOM 0 HD2 PRO A 83 0.786 -8.013 -12.807 1.00 30.32 H new ATOM 0 HD3 PRO A 83 1.064 -7.953 -14.536 1.00 30.32 H new ATOM 1415 N CYS A 84 -2.401 -10.208 -12.047 1.00 21.42 N ATOM 1416 CA CYS A 84 -3.108 -10.652 -10.838 1.00 61.24 C ATOM 1417 C CYS A 84 -4.615 -10.747 -11.135 1.00 12.33 C ATOM 1418 O CYS A 84 -5.111 -10.140 -12.098 1.00 64.12 O ATOM 1419 CB CYS A 84 -2.837 -9.655 -9.685 1.00 74.25 C ATOM 1420 SG CYS A 84 -3.628 -10.072 -8.116 1.00 42.21 S ATOM 0 H CYS A 84 -2.585 -9.234 -12.286 1.00 21.42 H new ATOM 0 HA CYS A 84 -2.749 -11.636 -10.536 1.00 61.24 H new ATOM 0 HB2 CYS A 84 -1.761 -9.590 -9.526 1.00 74.25 H new ATOM 0 HB3 CYS A 84 -3.174 -8.665 -9.993 1.00 74.25 H new ATOM 0 HG CYS A 84 -3.022 -9.453 -7.147 1.00 42.21 H new ATOM 1426 N GLN A 85 -5.326 -11.525 -10.309 1.00 54.13 N ATOM 1427 CA GLN A 85 -6.796 -11.689 -10.396 1.00 30.50 C ATOM 1428 C GLN A 85 -7.540 -10.453 -9.843 1.00 4.44 C ATOM 1429 O GLN A 85 -8.725 -10.258 -10.135 1.00 55.22 O ATOM 1430 CB GLN A 85 -7.238 -12.974 -9.639 1.00 25.14 C ATOM 1431 CG GLN A 85 -6.772 -13.040 -8.169 1.00 15.43 C ATOM 1432 CD GLN A 85 -7.172 -14.329 -7.451 1.00 41.12 C ATOM 1433 OE1 GLN A 85 -8.223 -14.914 -7.723 1.00 65.40 O ATOM 1434 NE2 GLN A 85 -6.327 -14.800 -6.543 1.00 44.23 N ATOM 0 H GLN A 85 -4.902 -12.065 -9.555 1.00 54.13 H new ATOM 0 HA GLN A 85 -7.060 -11.788 -11.449 1.00 30.50 H new ATOM 0 HB2 GLN A 85 -8.326 -13.041 -9.666 1.00 25.14 H new ATOM 0 HB3 GLN A 85 -6.852 -13.844 -10.169 1.00 25.14 H new ATOM 0 HG2 GLN A 85 -5.687 -12.939 -8.137 1.00 15.43 H new ATOM 0 HG3 GLN A 85 -7.187 -12.190 -7.628 1.00 15.43 H new ATOM 0 HE21 GLN A 85 -5.465 -14.295 -6.338 1.00 44.23 H new ATOM 0 HE22 GLN A 85 -6.540 -15.667 -6.050 1.00 44.23 H new ATOM 1443 N ASN A 86 -6.835 -9.635 -9.034 1.00 54.24 N ATOM 1444 CA ASN A 86 -7.385 -8.405 -8.420 1.00 73.31 C ATOM 1445 C ASN A 86 -7.121 -7.176 -9.312 1.00 60.34 C ATOM 1446 O ASN A 86 -6.470 -7.281 -10.364 1.00 43.41 O ATOM 1447 CB ASN A 86 -6.793 -8.212 -6.994 1.00 35.15 C ATOM 1448 CG ASN A 86 -7.354 -9.186 -5.956 1.00 64.01 C ATOM 1449 OD1 ASN A 86 -7.743 -10.307 -6.280 1.00 1.03 O ATOM 1450 ND2 ASN A 86 -7.394 -8.771 -4.697 1.00 44.14 N ATOM 0 H ASN A 86 -5.861 -9.809 -8.786 1.00 54.24 H new ATOM 0 HA ASN A 86 -8.466 -8.511 -8.330 1.00 73.31 H new ATOM 0 HB2 ASN A 86 -5.710 -8.330 -7.041 1.00 35.15 H new ATOM 0 HB3 ASN A 86 -6.989 -7.192 -6.664 1.00 35.15 H new ATOM 0 HD21 ASN A 86 -7.754 -9.387 -3.968 1.00 44.14 H new ATOM 0 HD22 ASN A 86 -7.064 -7.836 -4.458 1.00 44.14 H new ATOM 1457 N LYS A 87 -7.629 -6.013 -8.861 1.00 60.30 N ATOM 1458 CA LYS A 87 -7.699 -4.773 -9.654 1.00 11.45 C ATOM 1459 C LYS A 87 -7.371 -3.541 -8.786 1.00 20.51 C ATOM 1460 O LYS A 87 -7.778 -3.460 -7.622 1.00 70.04 O ATOM 1461 CB LYS A 87 -9.119 -4.664 -10.264 1.00 45.25 C ATOM 1462 CG LYS A 87 -10.283 -4.695 -9.229 1.00 40.55 C ATOM 1463 CD LYS A 87 -11.650 -5.007 -9.877 1.00 24.42 C ATOM 1464 CE LYS A 87 -12.035 -4.014 -10.976 1.00 21.24 C ATOM 1465 NZ LYS A 87 -13.288 -4.415 -11.662 1.00 71.24 N ATOM 0 H LYS A 87 -8.008 -5.908 -7.920 1.00 60.30 H new ATOM 0 HA LYS A 87 -6.958 -4.804 -10.453 1.00 11.45 H new ATOM 0 HB2 LYS A 87 -9.184 -3.737 -10.833 1.00 45.25 H new ATOM 0 HB3 LYS A 87 -9.259 -5.482 -10.970 1.00 45.25 H new ATOM 0 HG2 LYS A 87 -10.067 -5.445 -8.468 1.00 40.55 H new ATOM 0 HG3 LYS A 87 -10.338 -3.732 -8.721 1.00 40.55 H new ATOM 0 HD2 LYS A 87 -11.625 -6.013 -10.297 1.00 24.42 H new ATOM 0 HD3 LYS A 87 -12.420 -5.003 -9.106 1.00 24.42 H new ATOM 0 HE2 LYS A 87 -12.159 -3.021 -10.543 1.00 21.24 H new ATOM 0 HE3 LYS A 87 -11.227 -3.946 -11.704 1.00 21.24 H new ATOM 0 HZ1 LYS A 87 -13.518 -3.719 -12.400 1.00 71.24 H new ATOM 0 HZ2 LYS A 87 -13.162 -5.351 -12.096 1.00 71.24 H new ATOM 0 HZ3 LYS A 87 -14.064 -4.456 -10.971 1.00 71.24 H new ATOM 1479 N TYR A 88 -6.662 -2.576 -9.401 1.00 65.52 N ATOM 1480 CA TYR A 88 -6.104 -1.392 -8.729 1.00 61.24 C ATOM 1481 C TYR A 88 -5.133 -1.787 -7.598 1.00 41.35 C ATOM 1482 O TYR A 88 -5.529 -1.863 -6.423 1.00 63.54 O ATOM 1483 CB TYR A 88 -7.207 -0.394 -8.254 1.00 62.03 C ATOM 1484 CG TYR A 88 -7.707 0.519 -9.376 1.00 12.42 C ATOM 1485 CD1 TYR A 88 -6.988 1.669 -9.723 1.00 44.43 C ATOM 1486 CD2 TYR A 88 -8.865 0.228 -10.102 1.00 31.42 C ATOM 1487 CE1 TYR A 88 -7.410 2.493 -10.740 1.00 11.12 C ATOM 1488 CE2 TYR A 88 -9.286 1.055 -11.124 1.00 24.50 C ATOM 1489 CZ TYR A 88 -8.556 2.184 -11.437 1.00 5.40 C ATOM 1490 OH TYR A 88 -8.971 3.010 -12.452 1.00 73.43 O ATOM 0 H TYR A 88 -6.458 -2.600 -10.400 1.00 65.52 H new ATOM 0 HA TYR A 88 -5.520 -0.851 -9.474 1.00 61.24 H new ATOM 0 HB2 TYR A 88 -8.048 -0.956 -7.848 1.00 62.03 H new ATOM 0 HB3 TYR A 88 -6.811 0.218 -7.443 1.00 62.03 H new ATOM 0 HD1 TYR A 88 -6.086 1.913 -9.182 1.00 44.43 H new ATOM 0 HD2 TYR A 88 -9.438 -0.655 -9.860 1.00 31.42 H new ATOM 0 HE1 TYR A 88 -6.845 3.379 -10.991 1.00 11.12 H new ATOM 0 HE2 TYR A 88 -10.183 0.820 -11.677 1.00 24.50 H new ATOM 0 HH TYR A 88 -9.795 2.655 -12.847 1.00 73.43 H new ATOM 1500 N PRO A 89 -3.846 -2.096 -7.959 1.00 72.54 N ATOM 1501 CA PRO A 89 -2.784 -2.301 -6.970 1.00 65.12 C ATOM 1502 C PRO A 89 -2.357 -0.954 -6.364 1.00 32.23 C ATOM 1503 O PRO A 89 -1.917 -0.055 -7.089 1.00 11.23 O ATOM 1504 CB PRO A 89 -1.642 -2.948 -7.794 1.00 5.34 C ATOM 1505 CG PRO A 89 -1.839 -2.440 -9.194 1.00 35.25 C ATOM 1506 CD PRO A 89 -3.342 -2.280 -9.362 1.00 43.51 C ATOM 0 HA PRO A 89 -3.085 -2.922 -6.127 1.00 65.12 H new ATOM 0 HB2 PRO A 89 -0.664 -2.664 -7.405 1.00 5.34 H new ATOM 0 HB3 PRO A 89 -1.696 -4.036 -7.757 1.00 5.34 H new ATOM 0 HG2 PRO A 89 -1.324 -1.491 -9.343 1.00 35.25 H new ATOM 0 HG3 PRO A 89 -1.435 -3.140 -9.926 1.00 35.25 H new ATOM 0 HD2 PRO A 89 -3.585 -1.422 -9.989 1.00 43.51 H new ATOM 0 HD3 PRO A 89 -3.787 -3.156 -9.834 1.00 43.51 H new ATOM 1514 N PHE A 90 -2.535 -0.789 -5.053 1.00 64.04 N ATOM 1515 CA PHE A 90 -2.036 0.380 -4.341 1.00 43.53 C ATOM 1516 C PHE A 90 -0.775 -0.021 -3.573 1.00 22.34 C ATOM 1517 O PHE A 90 -0.689 -1.112 -3.001 1.00 43.53 O ATOM 1518 CB PHE A 90 -3.119 1.000 -3.420 1.00 51.21 C ATOM 1519 CG PHE A 90 -3.663 0.098 -2.299 1.00 73.12 C ATOM 1520 CD1 PHE A 90 -4.681 -0.829 -2.549 1.00 23.14 C ATOM 1521 CD2 PHE A 90 -3.176 0.204 -0.986 1.00 4.53 C ATOM 1522 CE1 PHE A 90 -5.187 -1.620 -1.530 1.00 65.20 C ATOM 1523 CE2 PHE A 90 -3.682 -0.592 0.025 1.00 72.12 C ATOM 1524 CZ PHE A 90 -4.688 -1.497 -0.247 1.00 1.20 C ATOM 0 H PHE A 90 -3.026 -1.459 -4.461 1.00 64.04 H new ATOM 0 HA PHE A 90 -1.781 1.163 -5.056 1.00 43.53 H new ATOM 0 HB2 PHE A 90 -2.705 1.899 -2.964 1.00 51.21 H new ATOM 0 HB3 PHE A 90 -3.957 1.315 -4.042 1.00 51.21 H new ATOM 0 HD1 PHE A 90 -5.077 -0.929 -3.549 1.00 23.14 H new ATOM 0 HD2 PHE A 90 -2.396 0.917 -0.763 1.00 4.53 H new ATOM 0 HE1 PHE A 90 -5.971 -2.333 -1.738 1.00 65.20 H new ATOM 0 HE2 PHE A 90 -3.290 -0.506 1.028 1.00 72.12 H new ATOM 0 HZ PHE A 90 -5.087 -2.112 0.546 1.00 1.20 H new ATOM 1534 N GLN A 91 0.199 0.871 -3.604 1.00 11.33 N ATOM 1535 CA GLN A 91 1.516 0.687 -3.017 1.00 43.53 C ATOM 1536 C GLN A 91 1.619 1.484 -1.712 1.00 62.23 C ATOM 1537 O GLN A 91 1.000 2.547 -1.566 1.00 25.35 O ATOM 1538 CB GLN A 91 2.603 1.133 -4.028 1.00 44.41 C ATOM 1539 CG GLN A 91 2.603 2.633 -4.386 1.00 15.54 C ATOM 1540 CD GLN A 91 3.634 2.983 -5.448 1.00 40.13 C ATOM 1541 OE1 GLN A 91 3.232 2.937 -6.711 1.00 1.34 O flip ATOM 1542 NE2 GLN A 91 4.784 3.293 -5.135 1.00 64.31 N flip ATOM 0 H GLN A 91 0.091 1.779 -4.056 1.00 11.33 H new ATOM 0 HA GLN A 91 1.671 -0.367 -2.786 1.00 43.53 H new ATOM 0 HB2 GLN A 91 3.581 0.875 -3.621 1.00 44.41 H new ATOM 0 HB3 GLN A 91 2.478 0.559 -4.946 1.00 44.41 H new ATOM 0 HG2 GLN A 91 1.612 2.918 -4.740 1.00 15.54 H new ATOM 0 HG3 GLN A 91 2.801 3.217 -3.487 1.00 15.54 H new ATOM 0 HE21 GLN A 91 5.056 3.317 -4.152 1.00 64.31 H new ATOM 0 HE22 GLN A 91 5.464 3.526 -5.858 1.00 64.31 H new ATOM 1551 N VAL A 92 2.396 0.945 -0.773 1.00 0.11 N ATOM 1552 CA VAL A 92 2.677 1.566 0.519 1.00 4.22 C ATOM 1553 C VAL A 92 4.201 1.663 0.648 1.00 51.40 C ATOM 1554 O VAL A 92 4.864 0.687 1.028 1.00 4.23 O ATOM 1555 CB VAL A 92 2.061 0.710 1.704 1.00 35.35 C ATOM 1556 CG1 VAL A 92 2.413 1.302 3.089 1.00 53.44 C ATOM 1557 CG2 VAL A 92 0.526 0.552 1.534 1.00 42.14 C ATOM 0 H VAL A 92 2.858 0.044 -0.893 1.00 0.11 H new ATOM 0 HA VAL A 92 2.223 2.555 0.577 1.00 4.22 H new ATOM 0 HB VAL A 92 2.512 -0.281 1.657 1.00 35.35 H new ATOM 0 HG11 VAL A 92 1.971 0.685 3.871 1.00 53.44 H new ATOM 0 HG12 VAL A 92 3.496 1.323 3.211 1.00 53.44 H new ATOM 0 HG13 VAL A 92 2.020 2.316 3.162 1.00 53.44 H new ATOM 0 HG21 VAL A 92 0.127 -0.039 2.359 1.00 42.14 H new ATOM 0 HG22 VAL A 92 0.057 1.536 1.532 1.00 42.14 H new ATOM 0 HG23 VAL A 92 0.314 0.048 0.591 1.00 42.14 H new ATOM 1567 N VAL A 93 4.767 2.841 0.318 1.00 65.41 N ATOM 1568 CA VAL A 93 6.211 3.070 0.385 1.00 45.53 C ATOM 1569 C VAL A 93 6.569 3.326 1.852 1.00 2.01 C ATOM 1570 O VAL A 93 6.348 4.421 2.359 1.00 35.33 O ATOM 1571 CB VAL A 93 6.689 4.290 -0.498 1.00 4.24 C ATOM 1572 CG1 VAL A 93 8.235 4.354 -0.553 1.00 1.33 C ATOM 1573 CG2 VAL A 93 6.072 4.257 -1.917 1.00 41.33 C ATOM 0 H VAL A 93 4.234 3.651 0.001 1.00 65.41 H new ATOM 0 HA VAL A 93 6.717 2.190 -0.012 1.00 45.53 H new ATOM 0 HB VAL A 93 6.329 5.201 -0.021 1.00 4.24 H new ATOM 0 HG11 VAL A 93 8.543 5.201 -1.166 1.00 1.33 H new ATOM 0 HG12 VAL A 93 8.630 4.474 0.456 1.00 1.33 H new ATOM 0 HG13 VAL A 93 8.622 3.432 -0.987 1.00 1.33 H new ATOM 0 HG21 VAL A 93 6.428 5.114 -2.489 1.00 41.33 H new ATOM 0 HG22 VAL A 93 6.367 3.337 -2.421 1.00 41.33 H new ATOM 0 HG23 VAL A 93 4.985 4.297 -1.842 1.00 41.33 H new ATOM 1583 N HIS A 94 7.063 2.293 2.526 1.00 54.52 N ATOM 1584 CA HIS A 94 7.459 2.355 3.953 1.00 62.05 C ATOM 1585 C HIS A 94 8.999 2.374 4.064 1.00 23.23 C ATOM 1586 O HIS A 94 9.691 2.298 3.042 1.00 35.43 O ATOM 1587 CB HIS A 94 6.822 1.174 4.743 1.00 34.21 C ATOM 1588 CG HIS A 94 7.188 -0.197 4.226 1.00 21.45 C ATOM 1589 ND1 HIS A 94 8.203 -0.962 4.760 1.00 1.41 N ATOM 1590 CD2 HIS A 94 6.662 -0.943 3.217 1.00 71.35 C ATOM 1591 CE1 HIS A 94 8.282 -2.103 4.112 1.00 64.11 C ATOM 1592 NE2 HIS A 94 7.359 -2.116 3.175 1.00 44.53 N ATOM 0 H HIS A 94 7.206 1.375 2.105 1.00 54.52 H new ATOM 0 HA HIS A 94 7.084 3.275 4.401 1.00 62.05 H new ATOM 0 HB2 HIS A 94 7.125 1.247 5.787 1.00 34.21 H new ATOM 0 HB3 HIS A 94 5.737 1.280 4.718 1.00 34.21 H new ATOM 0 HD2 HIS A 94 5.845 -0.660 2.570 1.00 71.35 H new ATOM 0 HE1 HIS A 94 8.986 -2.896 4.315 1.00 64.11 H new ATOM 0 HE2 HIS A 94 7.191 -2.881 2.521 1.00 44.53 H new ATOM 1601 N ASP A 95 9.507 2.480 5.314 1.00 41.03 N ATOM 1602 CA ASP A 95 10.942 2.687 5.638 1.00 14.33 C ATOM 1603 C ASP A 95 11.871 1.716 4.894 1.00 50.54 C ATOM 1604 O ASP A 95 12.791 2.145 4.195 1.00 43.03 O ATOM 1605 CB ASP A 95 11.152 2.562 7.179 1.00 70.01 C ATOM 1606 CG ASP A 95 12.628 2.721 7.607 1.00 74.34 C ATOM 1607 OD1 ASP A 95 13.124 3.867 7.646 1.00 24.22 O ATOM 1608 OD2 ASP A 95 13.291 1.705 7.931 1.00 33.51 O ATOM 0 H ASP A 95 8.919 2.423 6.146 1.00 41.03 H new ATOM 0 HA ASP A 95 11.209 3.689 5.302 1.00 14.33 H new ATOM 0 HB2 ASP A 95 10.551 3.318 7.684 1.00 70.01 H new ATOM 0 HB3 ASP A 95 10.787 1.590 7.511 1.00 70.01 H new ATOM 1613 N ALA A 96 11.587 0.415 5.037 1.00 44.34 N ATOM 1614 CA ALA A 96 12.418 -0.656 4.476 1.00 3.05 C ATOM 1615 C ALA A 96 12.383 -0.682 2.934 1.00 11.41 C ATOM 1616 O ALA A 96 13.427 -0.862 2.298 1.00 35.30 O ATOM 1617 CB ALA A 96 11.980 -2.011 5.046 1.00 13.25 C ATOM 0 H ALA A 96 10.771 0.075 5.547 1.00 44.34 H new ATOM 0 HA ALA A 96 13.449 -0.455 4.766 1.00 3.05 H new ATOM 0 HB1 ALA A 96 12.602 -2.801 4.625 1.00 13.25 H new ATOM 0 HB2 ALA A 96 12.090 -2.002 6.130 1.00 13.25 H new ATOM 0 HB3 ALA A 96 10.937 -2.194 4.788 1.00 13.25 H new ATOM 1623 N ASN A 97 11.182 -0.473 2.345 1.00 13.35 N ATOM 1624 CA ASN A 97 10.952 -0.636 0.882 1.00 11.10 C ATOM 1625 C ASN A 97 9.521 -0.218 0.502 1.00 21.31 C ATOM 1626 O ASN A 97 8.766 0.256 1.345 1.00 5.12 O ATOM 1627 CB ASN A 97 11.188 -2.116 0.458 1.00 31.43 C ATOM 1628 CG ASN A 97 10.191 -3.096 1.093 1.00 72.33 C ATOM 1629 OD1 ASN A 97 10.374 -3.555 2.221 1.00 13.34 O ATOM 1630 ND2 ASN A 97 9.134 -3.437 0.367 1.00 4.14 N ATOM 0 H ASN A 97 10.349 -0.189 2.861 1.00 13.35 H new ATOM 0 HA ASN A 97 11.658 0.008 0.358 1.00 11.10 H new ATOM 0 HB2 ASN A 97 11.120 -2.191 -0.627 1.00 31.43 H new ATOM 0 HB3 ASN A 97 12.201 -2.409 0.734 1.00 31.43 H new ATOM 0 HD21 ASN A 97 8.449 -4.094 0.741 1.00 4.14 H new ATOM 0 HD22 ASN A 97 9.006 -3.042 -0.565 1.00 4.14 H new ATOM 1637 N THR A 98 9.152 -0.418 -0.778 1.00 51.03 N ATOM 1638 CA THR A 98 7.784 -0.194 -1.255 1.00 22.02 C ATOM 1639 C THR A 98 6.992 -1.523 -1.260 1.00 13.33 C ATOM 1640 O THR A 98 7.390 -2.493 -1.922 1.00 12.02 O ATOM 1641 CB THR A 98 7.776 0.441 -2.680 1.00 22.25 C ATOM 1642 OG1 THR A 98 8.623 1.605 -2.690 1.00 21.45 O ATOM 1643 CG2 THR A 98 6.353 0.838 -3.115 1.00 75.22 C ATOM 0 H THR A 98 9.794 -0.738 -1.503 1.00 51.03 H new ATOM 0 HA THR A 98 7.303 0.505 -0.571 1.00 22.02 H new ATOM 0 HB THR A 98 8.149 -0.303 -3.384 1.00 22.25 H new ATOM 0 HG1 THR A 98 9.389 1.447 -3.280 1.00 21.45 H new ATOM 0 HG21 THR A 98 6.386 1.277 -4.112 1.00 75.22 H new ATOM 0 HG22 THR A 98 5.717 -0.047 -3.129 1.00 75.22 H new ATOM 0 HG23 THR A 98 5.947 1.565 -2.412 1.00 75.22 H new ATOM 1651 N LEU A 99 5.900 -1.550 -0.491 1.00 22.25 N ATOM 1652 CA LEU A 99 4.951 -2.679 -0.429 1.00 11.21 C ATOM 1653 C LEU A 99 3.934 -2.551 -1.583 1.00 31.21 C ATOM 1654 O LEU A 99 3.654 -1.438 -2.026 1.00 62.31 O ATOM 1655 CB LEU A 99 4.221 -2.664 0.945 1.00 73.00 C ATOM 1656 CG LEU A 99 3.162 -3.790 1.189 1.00 34.54 C ATOM 1657 CD1 LEU A 99 3.799 -5.187 1.122 1.00 54.51 C ATOM 1658 CD2 LEU A 99 2.417 -3.575 2.520 1.00 3.42 C ATOM 0 H LEU A 99 5.641 -0.776 0.120 1.00 22.25 H new ATOM 0 HA LEU A 99 5.485 -3.623 -0.532 1.00 11.21 H new ATOM 0 HB2 LEU A 99 4.973 -2.728 1.731 1.00 73.00 H new ATOM 0 HB3 LEU A 99 3.725 -1.700 1.056 1.00 73.00 H new ATOM 0 HG LEU A 99 2.428 -3.730 0.386 1.00 34.54 H new ATOM 0 HD11 LEU A 99 3.035 -5.944 1.296 1.00 54.51 H new ATOM 0 HD12 LEU A 99 4.242 -5.338 0.138 1.00 54.51 H new ATOM 0 HD13 LEU A 99 4.573 -5.271 1.885 1.00 54.51 H new ATOM 0 HD21 LEU A 99 1.688 -4.373 2.662 1.00 3.42 H new ATOM 0 HD22 LEU A 99 3.132 -3.586 3.343 1.00 3.42 H new ATOM 0 HD23 LEU A 99 1.903 -2.614 2.498 1.00 3.42 H new ATOM 1670 N TYR A 100 3.403 -3.688 -2.081 1.00 3.12 N ATOM 1671 CA TYR A 100 2.423 -3.719 -3.193 1.00 11.32 C ATOM 1672 C TYR A 100 1.242 -4.618 -2.828 1.00 15.14 C ATOM 1673 O TYR A 100 1.398 -5.837 -2.680 1.00 43.21 O ATOM 1674 CB TYR A 100 3.105 -4.186 -4.503 1.00 71.42 C ATOM 1675 CG TYR A 100 4.135 -3.170 -5.001 1.00 53.04 C ATOM 1676 CD1 TYR A 100 3.724 -2.014 -5.668 1.00 43.41 C ATOM 1677 CD2 TYR A 100 5.500 -3.333 -4.770 1.00 31.53 C ATOM 1678 CE1 TYR A 100 4.634 -1.067 -6.085 1.00 12.44 C ATOM 1679 CE2 TYR A 100 6.410 -2.389 -5.190 1.00 10.25 C ATOM 1680 CZ TYR A 100 5.971 -1.258 -5.844 1.00 43.25 C ATOM 1681 OH TYR A 100 6.883 -0.308 -6.248 1.00 41.12 O ATOM 0 H TYR A 100 3.641 -4.613 -1.724 1.00 3.12 H new ATOM 0 HA TYR A 100 2.042 -2.711 -3.359 1.00 11.32 H new ATOM 0 HB2 TYR A 100 3.593 -5.146 -4.336 1.00 71.42 H new ATOM 0 HB3 TYR A 100 2.348 -4.342 -5.271 1.00 71.42 H new ATOM 0 HD1 TYR A 100 2.673 -1.859 -5.861 1.00 43.41 H new ATOM 0 HD2 TYR A 100 5.850 -4.214 -4.253 1.00 31.53 H new ATOM 0 HE1 TYR A 100 4.296 -0.179 -6.599 1.00 12.44 H new ATOM 0 HE2 TYR A 100 7.465 -2.534 -5.008 1.00 10.25 H new ATOM 0 HH TYR A 100 6.611 0.058 -7.115 1.00 41.12 H new ATOM 1691 N ILE A 101 0.070 -3.983 -2.671 1.00 5.50 N ATOM 1692 CA ILE A 101 -1.183 -4.622 -2.245 1.00 11.04 C ATOM 1693 C ILE A 101 -2.241 -4.470 -3.361 1.00 73.45 C ATOM 1694 O ILE A 101 -2.458 -3.370 -3.862 1.00 22.43 O ATOM 1695 CB ILE A 101 -1.741 -3.958 -0.926 1.00 35.14 C ATOM 1696 CG1 ILE A 101 -0.635 -3.811 0.169 1.00 41.44 C ATOM 1697 CG2 ILE A 101 -2.945 -4.758 -0.382 1.00 1.25 C ATOM 1698 CD1 ILE A 101 -1.076 -3.042 1.410 1.00 24.50 C ATOM 0 H ILE A 101 -0.034 -2.983 -2.842 1.00 5.50 H new ATOM 0 HA ILE A 101 -0.978 -5.675 -2.050 1.00 11.04 H new ATOM 0 HB ILE A 101 -2.076 -2.953 -1.184 1.00 35.14 H new ATOM 0 HG12 ILE A 101 -0.305 -4.805 0.471 1.00 41.44 H new ATOM 0 HG13 ILE A 101 0.227 -3.308 -0.268 1.00 41.44 H new ATOM 0 HG21 ILE A 101 -3.315 -4.285 0.527 1.00 1.25 H new ATOM 0 HG22 ILE A 101 -3.737 -4.777 -1.130 1.00 1.25 H new ATOM 0 HG23 ILE A 101 -2.633 -5.778 -0.159 1.00 1.25 H new ATOM 0 HD11 ILE A 101 -0.248 -2.987 2.117 1.00 24.50 H new ATOM 0 HD12 ILE A 101 -1.377 -2.034 1.125 1.00 24.50 H new ATOM 0 HD13 ILE A 101 -1.918 -3.554 1.876 1.00 24.50 H new ATOM 1710 N PHE A 102 -2.894 -5.581 -3.730 1.00 61.11 N ATOM 1711 CA PHE A 102 -3.938 -5.620 -4.765 1.00 0.41 C ATOM 1712 C PHE A 102 -5.318 -5.620 -4.096 1.00 21.14 C ATOM 1713 O PHE A 102 -5.620 -6.513 -3.287 1.00 55.11 O ATOM 1714 CB PHE A 102 -3.767 -6.890 -5.635 1.00 14.10 C ATOM 1715 CG PHE A 102 -2.358 -7.075 -6.185 1.00 22.23 C ATOM 1716 CD1 PHE A 102 -1.973 -6.489 -7.389 1.00 32.10 C ATOM 1717 CD2 PHE A 102 -1.411 -7.813 -5.483 1.00 23.43 C ATOM 1718 CE1 PHE A 102 -0.685 -6.638 -7.867 1.00 61.24 C ATOM 1719 CE2 PHE A 102 -0.138 -7.963 -5.963 1.00 62.14 C ATOM 1720 CZ PHE A 102 0.230 -7.374 -7.157 1.00 45.24 C ATOM 0 H PHE A 102 -2.709 -6.493 -3.311 1.00 61.11 H new ATOM 0 HA PHE A 102 -3.850 -4.742 -5.405 1.00 0.41 H new ATOM 0 HB2 PHE A 102 -4.032 -7.764 -5.041 1.00 14.10 H new ATOM 0 HB3 PHE A 102 -4.469 -6.846 -6.468 1.00 14.10 H new ATOM 0 HD1 PHE A 102 -2.689 -5.912 -7.955 1.00 32.10 H new ATOM 0 HD2 PHE A 102 -1.684 -8.274 -4.545 1.00 23.43 H new ATOM 0 HE1 PHE A 102 -0.398 -6.175 -8.800 1.00 61.24 H new ATOM 0 HE2 PHE A 102 0.582 -8.544 -5.406 1.00 62.14 H new ATOM 0 HZ PHE A 102 1.236 -7.493 -7.531 1.00 45.24 H new ATOM 1730 N ALA A 103 -6.135 -4.625 -4.436 1.00 40.12 N ATOM 1731 CA ALA A 103 -7.510 -4.497 -3.934 1.00 54.22 C ATOM 1732 C ALA A 103 -8.471 -5.323 -4.820 1.00 13.24 C ATOM 1733 O ALA A 103 -8.184 -5.522 -5.994 1.00 31.35 O ATOM 1734 CB ALA A 103 -7.910 -3.013 -3.914 1.00 62.53 C ATOM 0 H ALA A 103 -5.863 -3.876 -5.073 1.00 40.12 H new ATOM 0 HA ALA A 103 -7.571 -4.885 -2.917 1.00 54.22 H new ATOM 0 HB1 ALA A 103 -8.930 -2.916 -3.542 1.00 62.53 H new ATOM 0 HB2 ALA A 103 -7.232 -2.462 -3.262 1.00 62.53 H new ATOM 0 HB3 ALA A 103 -7.852 -2.607 -4.924 1.00 62.53 H new ATOM 1740 N PRO A 104 -9.617 -5.838 -4.284 1.00 44.21 N ATOM 1741 CA PRO A 104 -10.637 -6.543 -5.110 1.00 51.55 C ATOM 1742 C PRO A 104 -11.604 -5.567 -5.821 1.00 34.10 C ATOM 1743 O PRO A 104 -12.535 -6.005 -6.511 1.00 22.15 O ATOM 1744 CB PRO A 104 -11.372 -7.387 -4.049 1.00 73.33 C ATOM 1745 CG PRO A 104 -11.369 -6.502 -2.834 1.00 14.04 C ATOM 1746 CD PRO A 104 -10.013 -5.821 -2.845 1.00 14.55 C ATOM 0 HA PRO A 104 -10.203 -7.123 -5.925 1.00 51.55 H new ATOM 0 HB2 PRO A 104 -12.386 -7.633 -4.364 1.00 73.33 H new ATOM 0 HB3 PRO A 104 -10.859 -8.330 -3.860 1.00 73.33 H new ATOM 0 HG2 PRO A 104 -12.177 -5.772 -2.876 1.00 14.04 H new ATOM 0 HG3 PRO A 104 -11.511 -7.083 -1.923 1.00 14.04 H new ATOM 0 HD2 PRO A 104 -10.073 -4.803 -2.459 1.00 14.55 H new ATOM 0 HD3 PRO A 104 -9.292 -6.355 -2.226 1.00 14.55 H new ATOM 1754 N SER A 105 -11.364 -4.252 -5.652 1.00 60.21 N ATOM 1755 CA SER A 105 -12.272 -3.199 -6.121 1.00 42.43 C ATOM 1756 C SER A 105 -11.546 -1.831 -6.118 1.00 54.14 C ATOM 1757 O SER A 105 -10.653 -1.618 -5.293 1.00 41.11 O ATOM 1758 CB SER A 105 -13.520 -3.147 -5.195 1.00 43.54 C ATOM 1759 OG SER A 105 -14.412 -2.110 -5.559 1.00 53.20 O ATOM 0 H SER A 105 -10.531 -3.894 -5.184 1.00 60.21 H new ATOM 0 HA SER A 105 -12.589 -3.420 -7.140 1.00 42.43 H new ATOM 0 HB2 SER A 105 -14.041 -4.103 -5.236 1.00 43.54 H new ATOM 0 HB3 SER A 105 -13.199 -3.003 -4.163 1.00 43.54 H new ATOM 0 HG SER A 105 -15.061 -2.450 -6.210 1.00 53.20 H new ATOM 1765 N PRO A 106 -11.925 -0.878 -7.038 1.00 73.13 N ATOM 1766 CA PRO A 106 -11.477 0.548 -6.958 1.00 54.55 C ATOM 1767 C PRO A 106 -12.088 1.293 -5.743 1.00 54.13 C ATOM 1768 O PRO A 106 -11.630 2.383 -5.388 1.00 11.42 O ATOM 1769 CB PRO A 106 -11.967 1.154 -8.296 1.00 61.32 C ATOM 1770 CG PRO A 106 -13.141 0.300 -8.687 1.00 1.54 C ATOM 1771 CD PRO A 106 -12.781 -1.106 -8.249 1.00 2.33 C ATOM 0 HA PRO A 106 -10.400 0.634 -6.815 1.00 54.55 H new ATOM 0 HB2 PRO A 106 -12.257 2.198 -8.176 1.00 61.32 H new ATOM 0 HB3 PRO A 106 -11.185 1.126 -9.055 1.00 61.32 H new ATOM 0 HG2 PRO A 106 -14.054 0.641 -8.200 1.00 1.54 H new ATOM 0 HG3 PRO A 106 -13.318 0.343 -9.762 1.00 1.54 H new ATOM 0 HD2 PRO A 106 -13.668 -1.693 -8.011 1.00 2.33 H new ATOM 0 HD3 PRO A 106 -12.242 -1.645 -9.028 1.00 2.33 H new ATOM 1779 N GLN A 107 -13.100 0.668 -5.106 1.00 4.03 N ATOM 1780 CA GLN A 107 -13.796 1.221 -3.928 1.00 62.14 C ATOM 1781 C GLN A 107 -12.994 0.848 -2.682 1.00 12.15 C ATOM 1782 O GLN A 107 -12.766 1.682 -1.795 1.00 41.21 O ATOM 1783 CB GLN A 107 -15.238 0.659 -3.818 1.00 44.42 C ATOM 1784 CG GLN A 107 -16.087 0.828 -5.086 1.00 0.21 C ATOM 1785 CD GLN A 107 -17.486 0.230 -4.934 1.00 2.15 C ATOM 1786 OE1 GLN A 107 -18.440 0.914 -4.556 1.00 15.44 O ATOM 1787 NE2 GLN A 107 -17.606 -1.064 -5.166 1.00 45.24 N ATOM 0 H GLN A 107 -13.459 -0.241 -5.398 1.00 4.03 H new ATOM 0 HA GLN A 107 -13.870 2.304 -4.025 1.00 62.14 H new ATOM 0 HB2 GLN A 107 -15.183 -0.401 -3.572 1.00 44.42 H new ATOM 0 HB3 GLN A 107 -15.744 1.153 -2.989 1.00 44.42 H new ATOM 0 HG2 GLN A 107 -16.172 1.888 -5.325 1.00 0.21 H new ATOM 0 HG3 GLN A 107 -15.580 0.352 -5.925 1.00 0.21 H new ATOM 0 HE21 GLN A 107 -16.798 -1.603 -5.478 1.00 45.24 H new ATOM 0 HE22 GLN A 107 -18.506 -1.525 -5.033 1.00 45.24 H new ATOM 1796 N SER A 108 -12.566 -0.437 -2.658 1.00 44.11 N ATOM 1797 CA SER A 108 -11.695 -0.995 -1.624 1.00 14.42 C ATOM 1798 C SER A 108 -10.358 -0.254 -1.615 1.00 15.21 C ATOM 1799 O SER A 108 -9.885 0.166 -0.561 1.00 13.14 O ATOM 1800 CB SER A 108 -11.472 -2.497 -1.883 1.00 22.33 C ATOM 1801 OG SER A 108 -12.707 -3.166 -1.995 1.00 62.24 O ATOM 0 H SER A 108 -12.827 -1.116 -3.373 1.00 44.11 H new ATOM 0 HA SER A 108 -12.170 -0.873 -0.650 1.00 14.42 H new ATOM 0 HB2 SER A 108 -10.894 -2.633 -2.797 1.00 22.33 H new ATOM 0 HB3 SER A 108 -10.889 -2.930 -1.070 1.00 22.33 H new ATOM 0 HG SER A 108 -12.651 -4.034 -1.543 1.00 62.24 H new ATOM 1807 N ARG A 109 -9.780 -0.085 -2.826 1.00 14.32 N ATOM 1808 CA ARG A 109 -8.562 0.703 -3.044 1.00 4.12 C ATOM 1809 C ARG A 109 -8.716 2.108 -2.451 1.00 5.21 C ATOM 1810 O ARG A 109 -7.881 2.540 -1.665 1.00 2.15 O ATOM 1811 CB ARG A 109 -8.220 0.768 -4.575 1.00 43.34 C ATOM 1812 CG ARG A 109 -7.063 1.740 -4.975 1.00 44.21 C ATOM 1813 CD ARG A 109 -7.536 3.202 -5.276 1.00 61.14 C ATOM 1814 NE ARG A 109 -6.503 4.203 -4.956 1.00 4.04 N ATOM 1815 CZ ARG A 109 -6.727 5.498 -4.695 1.00 63.41 C ATOM 1816 NH1 ARG A 109 -7.955 5.998 -4.686 1.00 20.22 N ATOM 1817 NH2 ARG A 109 -5.704 6.301 -4.469 1.00 60.22 N ATOM 0 H ARG A 109 -10.154 -0.498 -3.680 1.00 14.32 H new ATOM 0 HA ARG A 109 -7.733 0.214 -2.533 1.00 4.12 H new ATOM 0 HB2 ARG A 109 -7.959 -0.235 -4.912 1.00 43.34 H new ATOM 0 HB3 ARG A 109 -9.119 1.062 -5.116 1.00 43.34 H new ATOM 0 HG2 ARG A 109 -6.328 1.765 -4.170 1.00 44.21 H new ATOM 0 HG3 ARG A 109 -6.557 1.344 -5.856 1.00 44.21 H new ATOM 0 HD2 ARG A 109 -7.804 3.285 -6.329 1.00 61.14 H new ATOM 0 HD3 ARG A 109 -8.436 3.416 -4.700 1.00 61.14 H new ATOM 0 HE ARG A 109 -5.535 3.883 -4.931 1.00 4.04 H new ATOM 0 HH11 ARG A 109 -8.753 5.393 -4.880 1.00 20.22 H new ATOM 0 HH12 ARG A 109 -8.101 6.987 -4.485 1.00 20.22 H new ATOM 0 HH21 ARG A 109 -4.753 5.934 -4.494 1.00 60.22 H new ATOM 0 HH22 ARG A 109 -5.865 7.288 -4.270 1.00 60.22 H new ATOM 1831 N ASP A 110 -9.815 2.789 -2.839 1.00 0.24 N ATOM 1832 CA ASP A 110 -10.035 4.205 -2.517 1.00 54.25 C ATOM 1833 C ASP A 110 -10.120 4.418 -1.006 1.00 52.12 C ATOM 1834 O ASP A 110 -9.492 5.333 -0.483 1.00 1.10 O ATOM 1835 CB ASP A 110 -11.303 4.749 -3.223 1.00 53.44 C ATOM 1836 CG ASP A 110 -11.465 6.273 -3.047 1.00 10.34 C ATOM 1837 OD1 ASP A 110 -10.703 7.029 -3.692 1.00 23.22 O ATOM 1838 OD2 ASP A 110 -12.340 6.725 -2.271 1.00 40.22 O ATOM 0 H ASP A 110 -10.569 2.369 -3.382 1.00 0.24 H new ATOM 0 HA ASP A 110 -9.178 4.766 -2.889 1.00 54.25 H new ATOM 0 HB2 ASP A 110 -11.254 4.512 -4.286 1.00 53.44 H new ATOM 0 HB3 ASP A 110 -12.183 4.244 -2.824 1.00 53.44 H new ATOM 1843 N LEU A 111 -10.863 3.526 -0.318 1.00 4.31 N ATOM 1844 CA LEU A 111 -11.071 3.628 1.131 1.00 31.42 C ATOM 1845 C LEU A 111 -9.763 3.330 1.894 1.00 43.53 C ATOM 1846 O LEU A 111 -9.400 4.093 2.784 1.00 53.42 O ATOM 1847 CB LEU A 111 -12.220 2.694 1.605 1.00 63.24 C ATOM 1848 CG LEU A 111 -12.674 2.877 3.098 1.00 44.53 C ATOM 1849 CD1 LEU A 111 -13.080 4.346 3.393 1.00 14.55 C ATOM 1850 CD2 LEU A 111 -13.815 1.901 3.462 1.00 52.51 C ATOM 0 H LEU A 111 -11.328 2.727 -0.750 1.00 4.31 H new ATOM 0 HA LEU A 111 -11.368 4.653 1.354 1.00 31.42 H new ATOM 0 HB2 LEU A 111 -13.084 2.854 0.960 1.00 63.24 H new ATOM 0 HB3 LEU A 111 -11.905 1.660 1.464 1.00 63.24 H new ATOM 0 HG LEU A 111 -11.818 2.639 3.729 1.00 44.53 H new ATOM 0 HD11 LEU A 111 -13.388 4.436 4.435 1.00 14.55 H new ATOM 0 HD12 LEU A 111 -12.230 5.003 3.208 1.00 14.55 H new ATOM 0 HD13 LEU A 111 -13.907 4.632 2.744 1.00 14.55 H new ATOM 0 HD21 LEU A 111 -14.106 2.053 4.501 1.00 52.51 H new ATOM 0 HD22 LEU A 111 -14.672 2.086 2.814 1.00 52.51 H new ATOM 0 HD23 LEU A 111 -13.473 0.875 3.327 1.00 52.51 H new ATOM 1862 N TRP A 112 -9.058 2.229 1.521 1.00 75.41 N ATOM 1863 CA TRP A 112 -7.759 1.848 2.141 1.00 22.05 C ATOM 1864 C TRP A 112 -6.708 2.973 2.017 1.00 43.10 C ATOM 1865 O TRP A 112 -6.115 3.370 3.025 1.00 13.55 O ATOM 1866 CB TRP A 112 -7.204 0.522 1.528 1.00 75.31 C ATOM 1867 CG TRP A 112 -7.742 -0.731 2.184 1.00 34.53 C ATOM 1868 CD1 TRP A 112 -8.781 -1.510 1.770 1.00 3.40 C ATOM 1869 CD2 TRP A 112 -7.245 -1.340 3.388 1.00 2.04 C ATOM 1870 NE1 TRP A 112 -8.973 -2.547 2.642 1.00 14.02 N ATOM 1871 CE2 TRP A 112 -8.039 -2.472 3.641 1.00 5.33 C ATOM 1872 CE3 TRP A 112 -6.206 -1.036 4.274 1.00 22.25 C ATOM 1873 CZ2 TRP A 112 -7.829 -3.301 4.738 1.00 2.54 C ATOM 1874 CZ3 TRP A 112 -5.997 -1.863 5.360 1.00 32.22 C ATOM 1875 CH2 TRP A 112 -6.806 -2.983 5.585 1.00 10.11 C ATOM 0 H TRP A 112 -9.369 1.587 0.791 1.00 75.41 H new ATOM 0 HA TRP A 112 -7.954 1.686 3.201 1.00 22.05 H new ATOM 0 HB2 TRP A 112 -7.445 0.496 0.465 1.00 75.31 H new ATOM 0 HB3 TRP A 112 -6.117 0.524 1.608 1.00 75.31 H new ATOM 0 HD1 TRP A 112 -9.369 -1.334 0.881 1.00 3.40 H new ATOM 0 HE1 TRP A 112 -9.696 -3.262 2.561 1.00 14.02 H new ATOM 0 HE3 TRP A 112 -5.580 -0.171 4.112 1.00 22.25 H new ATOM 0 HZ2 TRP A 112 -8.453 -4.165 4.914 1.00 2.54 H new ATOM 0 HZ3 TRP A 112 -5.195 -1.642 6.048 1.00 32.22 H new ATOM 0 HH2 TRP A 112 -6.617 -3.608 6.445 1.00 10.11 H new ATOM 1886 N VAL A 113 -6.503 3.474 0.779 1.00 42.01 N ATOM 1887 CA VAL A 113 -5.522 4.544 0.491 1.00 72.02 C ATOM 1888 C VAL A 113 -5.874 5.827 1.259 1.00 2.15 C ATOM 1889 O VAL A 113 -4.992 6.457 1.840 1.00 62.30 O ATOM 1890 CB VAL A 113 -5.418 4.848 -1.056 1.00 40.11 C ATOM 1891 CG1 VAL A 113 -4.483 6.049 -1.357 1.00 64.10 C ATOM 1892 CG2 VAL A 113 -4.944 3.596 -1.824 1.00 13.24 C ATOM 0 H VAL A 113 -7.010 3.150 -0.045 1.00 42.01 H new ATOM 0 HA VAL A 113 -4.549 4.185 0.826 1.00 72.02 H new ATOM 0 HB VAL A 113 -6.417 5.120 -1.396 1.00 40.11 H new ATOM 0 HG11 VAL A 113 -4.444 6.219 -2.433 1.00 64.10 H new ATOM 0 HG12 VAL A 113 -4.866 6.941 -0.862 1.00 64.10 H new ATOM 0 HG13 VAL A 113 -3.481 5.832 -0.987 1.00 64.10 H new ATOM 0 HG21 VAL A 113 -4.878 3.825 -2.888 1.00 13.24 H new ATOM 0 HG22 VAL A 113 -3.963 3.294 -1.457 1.00 13.24 H new ATOM 0 HG23 VAL A 113 -5.655 2.784 -1.671 1.00 13.24 H new ATOM 1902 N LYS A 114 -7.182 6.169 1.282 1.00 4.24 N ATOM 1903 CA LYS A 114 -7.688 7.382 1.946 1.00 32.51 C ATOM 1904 C LYS A 114 -7.390 7.325 3.453 1.00 10.43 C ATOM 1905 O LYS A 114 -6.807 8.261 3.995 1.00 13.15 O ATOM 1906 CB LYS A 114 -9.208 7.543 1.678 1.00 14.21 C ATOM 1907 CG LYS A 114 -9.805 8.916 2.059 1.00 4.13 C ATOM 1908 CD LYS A 114 -11.296 9.028 1.653 1.00 74.12 C ATOM 1909 CE LYS A 114 -11.838 10.462 1.702 1.00 62.31 C ATOM 1910 NZ LYS A 114 -11.744 11.066 3.051 1.00 52.41 N ATOM 0 H LYS A 114 -7.912 5.610 0.840 1.00 4.24 H new ATOM 0 HA LYS A 114 -7.179 8.254 1.535 1.00 32.51 H new ATOM 0 HB2 LYS A 114 -9.394 7.366 0.619 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -9.741 6.768 2.229 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -9.709 9.069 3.134 1.00 4.13 H new ATOM 0 HG3 LYS A 114 -9.235 9.708 1.572 1.00 4.13 H new ATOM 0 HD2 LYS A 114 -11.420 8.636 0.644 1.00 74.12 H new ATOM 0 HD3 LYS A 114 -11.893 8.400 2.315 1.00 74.12 H new ATOM 0 HE2 LYS A 114 -11.285 11.079 0.994 1.00 62.31 H new ATOM 0 HE3 LYS A 114 -12.879 10.463 1.380 1.00 62.31 H new ATOM 0 HZ1 LYS A 114 -12.124 12.034 3.025 1.00 52.41 H new ATOM 0 HZ2 LYS A 114 -12.293 10.496 3.726 1.00 52.41 H new ATOM 0 HZ3 LYS A 114 -10.748 11.093 3.351 1.00 52.41 H new ATOM 1924 N LYS A 115 -7.744 6.182 4.085 1.00 70.02 N ATOM 1925 CA LYS A 115 -7.493 5.928 5.520 1.00 52.02 C ATOM 1926 C LYS A 115 -6.000 6.060 5.863 1.00 64.33 C ATOM 1927 O LYS A 115 -5.639 6.771 6.806 1.00 11.03 O ATOM 1928 CB LYS A 115 -7.984 4.509 5.929 1.00 40.24 C ATOM 1929 CG LYS A 115 -9.513 4.312 5.908 1.00 50.15 C ATOM 1930 CD LYS A 115 -10.253 5.289 6.850 1.00 42.45 C ATOM 1931 CE LYS A 115 -11.735 4.940 7.022 1.00 70.22 C ATOM 1932 NZ LYS A 115 -12.387 5.809 8.039 1.00 43.32 N ATOM 0 H LYS A 115 -8.213 5.409 3.612 1.00 70.02 H new ATOM 0 HA LYS A 115 -8.052 6.680 6.077 1.00 52.02 H new ATOM 0 HB2 LYS A 115 -7.530 3.778 5.260 1.00 40.24 H new ATOM 0 HB3 LYS A 115 -7.619 4.291 6.933 1.00 40.24 H new ATOM 0 HG2 LYS A 115 -9.879 4.448 4.890 1.00 50.15 H new ATOM 0 HG3 LYS A 115 -9.747 3.287 6.197 1.00 50.15 H new ATOM 0 HD2 LYS A 115 -9.767 5.283 7.826 1.00 42.45 H new ATOM 0 HD3 LYS A 115 -10.166 6.302 6.457 1.00 42.45 H new ATOM 0 HE2 LYS A 115 -12.248 5.049 6.067 1.00 70.22 H new ATOM 0 HE3 LYS A 115 -11.832 3.896 7.319 1.00 70.22 H new ATOM 0 HZ1 LYS A 115 -13.389 5.545 8.130 1.00 43.32 H new ATOM 0 HZ2 LYS A 115 -11.912 5.686 8.956 1.00 43.32 H new ATOM 0 HZ3 LYS A 115 -12.316 6.803 7.743 1.00 43.32 H new ATOM 1946 N LEU A 116 -5.161 5.364 5.074 1.00 74.53 N ATOM 1947 CA LEU A 116 -3.701 5.333 5.265 1.00 3.11 C ATOM 1948 C LEU A 116 -3.095 6.750 5.179 1.00 24.34 C ATOM 1949 O LEU A 116 -2.340 7.133 6.060 1.00 20.13 O ATOM 1950 CB LEU A 116 -3.052 4.363 4.238 1.00 52.50 C ATOM 1951 CG LEU A 116 -3.275 2.832 4.511 1.00 42.34 C ATOM 1952 CD1 LEU A 116 -2.872 1.960 3.302 1.00 33.11 C ATOM 1953 CD2 LEU A 116 -2.523 2.387 5.784 1.00 42.33 C ATOM 0 H LEU A 116 -5.479 4.805 4.282 1.00 74.53 H new ATOM 0 HA LEU A 116 -3.486 4.960 6.266 1.00 3.11 H new ATOM 0 HB2 LEU A 116 -3.443 4.597 3.248 1.00 52.50 H new ATOM 0 HB3 LEU A 116 -1.980 4.556 4.211 1.00 52.50 H new ATOM 0 HG LEU A 116 -4.343 2.686 4.670 1.00 42.34 H new ATOM 0 HD11 LEU A 116 -3.044 0.910 3.538 1.00 33.11 H new ATOM 0 HD12 LEU A 116 -3.471 2.240 2.436 1.00 33.11 H new ATOM 0 HD13 LEU A 116 -1.816 2.114 3.078 1.00 33.11 H new ATOM 0 HD21 LEU A 116 -2.692 1.324 5.953 1.00 42.33 H new ATOM 0 HD22 LEU A 116 -1.456 2.570 5.659 1.00 42.33 H new ATOM 0 HD23 LEU A 116 -2.890 2.953 6.640 1.00 42.33 H new ATOM 1965 N LYS A 117 -3.462 7.519 4.126 1.00 72.51 N ATOM 1966 CA LYS A 117 -3.068 8.944 3.969 1.00 74.02 C ATOM 1967 C LYS A 117 -3.443 9.801 5.194 1.00 12.43 C ATOM 1968 O LYS A 117 -2.620 10.589 5.673 1.00 62.02 O ATOM 1969 CB LYS A 117 -3.692 9.538 2.682 1.00 20.23 C ATOM 1970 CG LYS A 117 -3.097 8.975 1.372 1.00 51.14 C ATOM 1971 CD LYS A 117 -3.884 9.449 0.130 1.00 33.13 C ATOM 1972 CE LYS A 117 -3.913 10.980 -0.022 1.00 74.14 C ATOM 1973 NZ LYS A 117 -4.857 11.415 -1.078 1.00 54.44 N ATOM 0 H LYS A 117 -4.039 7.171 3.361 1.00 72.51 H new ATOM 0 HA LYS A 117 -1.981 8.967 3.886 1.00 74.02 H new ATOM 0 HB2 LYS A 117 -4.765 9.349 2.691 1.00 20.23 H new ATOM 0 HB3 LYS A 117 -3.559 10.620 2.693 1.00 20.23 H new ATOM 0 HG2 LYS A 117 -2.056 9.287 1.283 1.00 51.14 H new ATOM 0 HG3 LYS A 117 -3.101 7.886 1.410 1.00 51.14 H new ATOM 0 HD2 LYS A 117 -3.439 9.010 -0.763 1.00 33.13 H new ATOM 0 HD3 LYS A 117 -4.907 9.077 0.192 1.00 33.13 H new ATOM 0 HE2 LYS A 117 -4.197 11.433 0.928 1.00 74.14 H new ATOM 0 HE3 LYS A 117 -2.912 11.340 -0.260 1.00 74.14 H new ATOM 0 HZ1 LYS A 117 -4.846 12.453 -1.148 1.00 54.44 H new ATOM 0 HZ2 LYS A 117 -4.572 11.004 -1.990 1.00 54.44 H new ATOM 0 HZ3 LYS A 117 -5.817 11.094 -0.839 1.00 54.44 H new ATOM 1987 N GLU A 118 -4.680 9.624 5.693 1.00 5.25 N ATOM 1988 CA GLU A 118 -5.191 10.345 6.880 1.00 72.52 C ATOM 1989 C GLU A 118 -4.384 10.000 8.149 1.00 54.10 C ATOM 1990 O GLU A 118 -4.276 10.819 9.069 1.00 1.03 O ATOM 1991 CB GLU A 118 -6.694 10.031 7.089 1.00 4.53 C ATOM 1992 CG GLU A 118 -7.614 10.522 5.952 1.00 34.23 C ATOM 1993 CD GLU A 118 -7.780 12.050 5.898 1.00 1.32 C ATOM 1994 OE1 GLU A 118 -6.901 12.748 5.342 1.00 41.54 O ATOM 1995 OE2 GLU A 118 -8.801 12.567 6.410 1.00 73.41 O ATOM 0 H GLU A 118 -5.356 8.977 5.287 1.00 5.25 H new ATOM 0 HA GLU A 118 -5.072 11.413 6.698 1.00 72.52 H new ATOM 0 HB2 GLU A 118 -6.815 8.953 7.198 1.00 4.53 H new ATOM 0 HB3 GLU A 118 -7.020 10.485 8.025 1.00 4.53 H new ATOM 0 HG2 GLU A 118 -7.213 10.176 4.999 1.00 34.23 H new ATOM 0 HG3 GLU A 118 -8.596 10.064 6.070 1.00 34.23 H new ATOM 2002 N GLU A 119 -3.827 8.784 8.186 1.00 34.20 N ATOM 2003 CA GLU A 119 -2.979 8.320 9.293 1.00 4.33 C ATOM 2004 C GLU A 119 -1.533 8.835 9.147 1.00 13.13 C ATOM 2005 O GLU A 119 -0.924 9.306 10.121 1.00 40.01 O ATOM 2006 CB GLU A 119 -3.010 6.768 9.366 1.00 43.01 C ATOM 2007 CG GLU A 119 -4.377 6.165 9.741 1.00 73.21 C ATOM 2008 CD GLU A 119 -4.921 6.691 11.087 1.00 75.35 C ATOM 2009 OE1 GLU A 119 -4.304 6.413 12.146 1.00 50.42 O ATOM 2010 OE2 GLU A 119 -5.966 7.378 11.097 1.00 34.24 O ATOM 0 H GLU A 119 -3.951 8.091 7.448 1.00 34.20 H new ATOM 0 HA GLU A 119 -3.375 8.726 10.224 1.00 4.33 H new ATOM 0 HB2 GLU A 119 -2.705 6.367 8.400 1.00 43.01 H new ATOM 0 HB3 GLU A 119 -2.271 6.438 10.096 1.00 43.01 H new ATOM 0 HG2 GLU A 119 -5.095 6.390 8.953 1.00 73.21 H new ATOM 0 HG3 GLU A 119 -4.288 5.080 9.791 1.00 73.21 H new ATOM 2017 N ILE A 120 -0.995 8.781 7.913 1.00 0.34 N ATOM 2018 CA ILE A 120 0.442 9.026 7.662 1.00 5.42 C ATOM 2019 C ILE A 120 0.751 10.512 7.461 1.00 60.45 C ATOM 2020 O ILE A 120 1.915 10.896 7.457 1.00 21.15 O ATOM 2021 CB ILE A 120 0.995 8.198 6.440 1.00 40.03 C ATOM 2022 CG1 ILE A 120 0.430 8.716 5.073 1.00 22.34 C ATOM 2023 CG2 ILE A 120 0.707 6.693 6.639 1.00 41.55 C ATOM 2024 CD1 ILE A 120 0.983 8.016 3.833 1.00 31.13 C ATOM 0 H ILE A 120 -1.533 8.570 7.073 1.00 0.34 H new ATOM 0 HA ILE A 120 0.954 8.684 8.562 1.00 5.42 H new ATOM 0 HB ILE A 120 2.075 8.340 6.402 1.00 40.03 H new ATOM 0 HG12 ILE A 120 -0.654 8.604 5.081 1.00 22.34 H new ATOM 0 HG13 ILE A 120 0.640 9.783 4.992 1.00 22.34 H new ATOM 0 HG21 ILE A 120 1.094 6.133 5.788 1.00 41.55 H new ATOM 0 HG22 ILE A 120 1.192 6.347 7.552 1.00 41.55 H new ATOM 0 HG23 ILE A 120 -0.369 6.536 6.718 1.00 41.55 H new ATOM 0 HD11 ILE A 120 0.530 8.446 2.940 1.00 31.13 H new ATOM 0 HD12 ILE A 120 2.064 8.149 3.792 1.00 31.13 H new ATOM 0 HD13 ILE A 120 0.750 6.952 3.881 1.00 31.13 H new ATOM 2036 N LYS A 121 -0.287 11.356 7.324 1.00 51.12 N ATOM 2037 CA LYS A 121 -0.097 12.812 7.150 1.00 2.21 C ATOM 2038 C LYS A 121 0.447 13.460 8.436 1.00 42.44 C ATOM 2039 O LYS A 121 0.924 14.595 8.416 1.00 74.44 O ATOM 2040 CB LYS A 121 -1.413 13.489 6.699 1.00 74.24 C ATOM 2041 CG LYS A 121 -2.587 13.403 7.702 1.00 61.45 C ATOM 2042 CD LYS A 121 -3.890 14.027 7.140 1.00 32.23 C ATOM 2043 CE LYS A 121 -5.058 14.014 8.139 1.00 1.33 C ATOM 2044 NZ LYS A 121 -6.278 14.647 7.576 1.00 14.42 N ATOM 0 H LYS A 121 -1.263 11.059 7.330 1.00 51.12 H new ATOM 0 HA LYS A 121 0.645 12.962 6.366 1.00 2.21 H new ATOM 0 HB2 LYS A 121 -1.209 14.540 6.496 1.00 74.24 H new ATOM 0 HB3 LYS A 121 -1.729 13.038 5.758 1.00 74.24 H new ATOM 0 HG2 LYS A 121 -2.768 12.359 7.957 1.00 61.45 H new ATOM 0 HG3 LYS A 121 -2.311 13.913 8.625 1.00 61.45 H new ATOM 0 HD2 LYS A 121 -3.691 15.056 6.840 1.00 32.23 H new ATOM 0 HD3 LYS A 121 -4.185 13.485 6.242 1.00 32.23 H new ATOM 0 HE2 LYS A 121 -5.281 12.985 8.423 1.00 1.33 H new ATOM 0 HE3 LYS A 121 -4.764 14.539 9.048 1.00 1.33 H new ATOM 0 HZ1 LYS A 121 -7.065 14.542 8.248 1.00 14.42 H new ATOM 0 HZ2 LYS A 121 -6.099 15.657 7.408 1.00 14.42 H new ATOM 0 HZ3 LYS A 121 -6.526 14.185 6.678 1.00 14.42 H new ATOM 2058 N ASN A 122 0.384 12.706 9.548 1.00 74.04 N ATOM 2059 CA ASN A 122 0.875 13.140 10.869 1.00 11.21 C ATOM 2060 C ASN A 122 2.346 12.718 11.086 1.00 72.22 C ATOM 2061 O ASN A 122 2.927 13.012 12.133 1.00 24.13 O ATOM 2062 CB ASN A 122 -0.034 12.547 11.978 1.00 44.22 C ATOM 2063 CG ASN A 122 -1.519 12.845 11.739 1.00 62.23 C ATOM 2064 OD1 ASN A 122 -2.041 13.877 12.165 1.00 51.41 O ATOM 2065 ND2 ASN A 122 -2.212 11.945 11.056 1.00 2.45 N ATOM 0 H ASN A 122 -0.014 11.767 9.555 1.00 74.04 H new ATOM 0 HA ASN A 122 0.837 14.228 10.916 1.00 11.21 H new ATOM 0 HB2 ASN A 122 0.114 11.468 12.027 1.00 44.22 H new ATOM 0 HB3 ASN A 122 0.264 12.954 12.944 1.00 44.22 H new ATOM 0 HD21 ASN A 122 -3.203 12.098 10.871 1.00 2.45 H new ATOM 0 HD22 ASN A 122 -1.754 11.100 10.715 1.00 2.45 H new ATOM 2072 N ASN A 123 2.939 12.033 10.079 1.00 71.44 N ATOM 2073 CA ASN A 123 4.345 11.563 10.132 1.00 42.51 C ATOM 2074 C ASN A 123 5.321 12.688 9.761 1.00 41.21 C ATOM 2075 O ASN A 123 4.911 13.756 9.295 1.00 13.24 O ATOM 2076 CB ASN A 123 4.577 10.351 9.193 1.00 10.14 C ATOM 2077 CG ASN A 123 3.744 9.123 9.532 1.00 73.42 C ATOM 2078 OD1 ASN A 123 3.295 8.941 10.664 1.00 73.40 O ATOM 2079 ND2 ASN A 123 3.579 8.243 8.566 1.00 3.30 N ATOM 0 H ASN A 123 2.460 11.792 9.212 1.00 71.44 H new ATOM 0 HA ASN A 123 4.534 11.251 11.159 1.00 42.51 H new ATOM 0 HB2 ASN A 123 4.356 10.653 8.169 1.00 10.14 H new ATOM 0 HB3 ASN A 123 5.632 10.079 9.225 1.00 10.14 H new ATOM 0 HD21 ASN A 123 3.066 7.380 8.745 1.00 3.30 H new ATOM 0 HD22 ASN A 123 3.964 8.425 7.639 1.00 3.30 H new ATOM 2086 N ASN A 124 6.623 12.427 9.967 1.00 61.31 N ATOM 2087 CA ASN A 124 7.711 13.383 9.663 1.00 2.40 C ATOM 2088 C ASN A 124 8.643 12.817 8.568 1.00 34.13 C ATOM 2089 O ASN A 124 9.634 13.459 8.201 1.00 10.54 O ATOM 2090 CB ASN A 124 8.520 13.693 10.953 1.00 11.13 C ATOM 2091 CG ASN A 124 7.654 14.179 12.123 1.00 72.34 C ATOM 2092 OD1 ASN A 124 7.194 13.388 12.949 1.00 3.35 O ATOM 2093 ND2 ASN A 124 7.402 15.473 12.194 1.00 73.43 N ATOM 0 H ASN A 124 6.956 11.543 10.351 1.00 61.31 H new ATOM 0 HA ASN A 124 7.269 14.307 9.291 1.00 2.40 H new ATOM 0 HB2 ASN A 124 9.057 12.795 11.259 1.00 11.13 H new ATOM 0 HB3 ASN A 124 9.269 14.452 10.728 1.00 11.13 H new ATOM 0 HD21 ASN A 124 6.815 15.838 12.944 1.00 73.43 H new ATOM 0 HD22 ASN A 124 7.794 16.108 11.499 1.00 73.43 H new ATOM 2100 N ASN A 125 8.317 11.614 8.047 1.00 52.43 N ATOM 2101 CA ASN A 125 9.165 10.889 7.064 1.00 44.44 C ATOM 2102 C ASN A 125 8.476 10.773 5.692 1.00 14.01 C ATOM 2103 O ASN A 125 8.889 9.958 4.866 1.00 4.24 O ATOM 2104 CB ASN A 125 9.523 9.471 7.620 1.00 32.11 C ATOM 2105 CG ASN A 125 8.311 8.534 7.795 1.00 64.45 C ATOM 2106 OD1 ASN A 125 7.193 8.971 8.056 1.00 32.44 O ATOM 2107 ND2 ASN A 125 8.523 7.235 7.680 1.00 5.31 N ATOM 0 H ASN A 125 7.462 11.116 8.293 1.00 52.43 H new ATOM 0 HA ASN A 125 10.081 11.462 6.919 1.00 44.44 H new ATOM 0 HB2 ASN A 125 10.238 8.999 6.946 1.00 32.11 H new ATOM 0 HB3 ASN A 125 10.021 9.586 8.583 1.00 32.11 H new ATOM 0 HD21 ASN A 125 7.752 6.579 7.808 1.00 5.31 H new ATOM 0 HD22 ASN A 125 9.457 6.888 7.463 1.00 5.31 H new ATOM 2114 N ILE A 126 7.483 11.638 5.426 1.00 45.12 N ATOM 2115 CA ILE A 126 6.657 11.539 4.206 1.00 71.40 C ATOM 2116 C ILE A 126 7.449 11.997 2.968 1.00 44.41 C ATOM 2117 O ILE A 126 7.938 13.131 2.916 1.00 54.13 O ATOM 2118 CB ILE A 126 5.311 12.352 4.333 1.00 3.24 C ATOM 2119 CG1 ILE A 126 4.447 11.775 5.496 1.00 11.42 C ATOM 2120 CG2 ILE A 126 4.512 12.368 2.992 1.00 70.12 C ATOM 2121 CD1 ILE A 126 4.107 10.297 5.348 1.00 1.12 C ATOM 0 H ILE A 126 7.231 12.414 6.038 1.00 45.12 H new ATOM 0 HA ILE A 126 6.394 10.488 4.084 1.00 71.40 H new ATOM 0 HB ILE A 126 5.563 13.387 4.562 1.00 3.24 H new ATOM 0 HG12 ILE A 126 4.979 11.922 6.436 1.00 11.42 H new ATOM 0 HG13 ILE A 126 3.520 12.345 5.562 1.00 11.42 H new ATOM 0 HG21 ILE A 126 3.592 12.938 3.123 1.00 70.12 H new ATOM 0 HG22 ILE A 126 5.118 12.831 2.213 1.00 70.12 H new ATOM 0 HG23 ILE A 126 4.267 11.346 2.702 1.00 70.12 H new ATOM 0 HD11 ILE A 126 3.505 9.975 6.198 1.00 1.12 H new ATOM 0 HD12 ILE A 126 3.546 10.143 4.426 1.00 1.12 H new ATOM 0 HD13 ILE A 126 5.027 9.714 5.314 1.00 1.12 H new ATOM 2133 N MET A 127 7.571 11.088 1.994 1.00 20.25 N ATOM 2134 CA MET A 127 8.180 11.374 0.693 1.00 13.54 C ATOM 2135 C MET A 127 7.193 12.206 -0.144 1.00 43.43 C ATOM 2136 O MET A 127 6.042 11.803 -0.338 1.00 1.42 O ATOM 2137 CB MET A 127 8.536 10.046 -0.031 1.00 44.44 C ATOM 2138 CG MET A 127 9.660 9.226 0.615 1.00 1.11 C ATOM 2139 SD MET A 127 9.701 7.502 0.057 1.00 52.14 S ATOM 2140 CE MET A 127 9.728 7.647 -1.729 1.00 22.42 C ATOM 0 H MET A 127 7.247 10.126 2.089 1.00 20.25 H new ATOM 0 HA MET A 127 9.101 11.940 0.828 1.00 13.54 H new ATOM 0 HB2 MET A 127 7.640 9.427 -0.080 1.00 44.44 H new ATOM 0 HB3 MET A 127 8.821 10.277 -1.057 1.00 44.44 H new ATOM 0 HG2 MET A 127 10.618 9.696 0.391 1.00 1.11 H new ATOM 0 HG3 MET A 127 9.540 9.247 1.698 1.00 1.11 H new ATOM 0 HE1 MET A 127 10.409 6.904 -2.144 1.00 22.42 H new ATOM 0 HE2 MET A 127 8.725 7.480 -2.123 1.00 22.42 H new ATOM 0 HE3 MET A 127 10.066 8.645 -2.008 1.00 22.42 H new ATOM 2150 N ILE A 128 7.658 13.373 -0.607 1.00 42.24 N ATOM 2151 CA ILE A 128 6.861 14.300 -1.445 1.00 1.41 C ATOM 2152 C ILE A 128 6.706 13.737 -2.889 1.00 10.35 C ATOM 2153 O ILE A 128 5.909 14.240 -3.684 1.00 4.14 O ATOM 2154 CB ILE A 128 7.503 15.755 -1.437 1.00 31.15 C ATOM 2155 CG1 ILE A 128 7.651 16.255 0.041 1.00 72.41 C ATOM 2156 CG2 ILE A 128 6.680 16.775 -2.285 1.00 70.41 C ATOM 2157 CD1 ILE A 128 8.241 17.648 0.194 1.00 13.50 C ATOM 0 H ILE A 128 8.601 13.709 -0.414 1.00 42.24 H new ATOM 0 HA ILE A 128 5.860 14.386 -1.021 1.00 1.41 H new ATOM 0 HB ILE A 128 8.487 15.687 -1.901 1.00 31.15 H new ATOM 0 HG12 ILE A 128 6.669 16.239 0.514 1.00 72.41 H new ATOM 0 HG13 ILE A 128 8.278 15.550 0.586 1.00 72.41 H new ATOM 0 HG21 ILE A 128 7.161 17.752 -2.246 1.00 70.41 H new ATOM 0 HG22 ILE A 128 6.633 16.434 -3.319 1.00 70.41 H new ATOM 0 HG23 ILE A 128 5.670 16.852 -1.882 1.00 70.41 H new ATOM 0 HD11 ILE A 128 8.303 17.903 1.252 1.00 13.50 H new ATOM 0 HD12 ILE A 128 9.239 17.670 -0.244 1.00 13.50 H new ATOM 0 HD13 ILE A 128 7.605 18.371 -0.317 1.00 13.50 H new ATOM 2169 N LYS A 129 7.470 12.665 -3.207 1.00 61.22 N ATOM 2170 CA LYS A 129 7.377 11.908 -4.481 1.00 71.15 C ATOM 2171 C LYS A 129 7.291 10.390 -4.167 1.00 22.02 C ATOM 2172 O LYS A 129 7.790 9.943 -3.139 1.00 21.13 O ATOM 2173 CB LYS A 129 8.599 12.185 -5.429 1.00 43.35 C ATOM 2174 CG LYS A 129 8.592 13.516 -6.227 1.00 11.41 C ATOM 2175 CD LYS A 129 8.831 14.776 -5.370 1.00 13.24 C ATOM 2176 CE LYS A 129 8.870 16.069 -6.198 1.00 24.22 C ATOM 2177 NZ LYS A 129 9.998 16.075 -7.160 1.00 24.03 N ATOM 0 H LYS A 129 8.181 12.295 -2.576 1.00 61.22 H new ATOM 0 HA LYS A 129 6.480 12.241 -5.003 1.00 71.15 H new ATOM 0 HB2 LYS A 129 9.507 12.158 -4.826 1.00 43.35 H new ATOM 0 HB3 LYS A 129 8.665 11.364 -6.143 1.00 43.35 H new ATOM 0 HG2 LYS A 129 9.360 13.466 -6.999 1.00 11.41 H new ATOM 0 HG3 LYS A 129 7.633 13.615 -6.736 1.00 11.41 H new ATOM 0 HD2 LYS A 129 8.042 14.854 -4.622 1.00 13.24 H new ATOM 0 HD3 LYS A 129 9.772 14.668 -4.831 1.00 13.24 H new ATOM 0 HE2 LYS A 129 7.931 16.182 -6.739 1.00 24.22 H new ATOM 0 HE3 LYS A 129 8.958 16.926 -5.530 1.00 24.22 H new ATOM 0 HZ1 LYS A 129 10.094 17.023 -7.577 1.00 24.03 H new ATOM 0 HZ2 LYS A 129 10.878 15.824 -6.665 1.00 24.03 H new ATOM 0 HZ3 LYS A 129 9.815 15.382 -7.914 1.00 24.03 H new ATOM 2191 N TYR A 130 6.668 9.617 -5.074 1.00 20.23 N ATOM 2192 CA TYR A 130 6.605 8.136 -5.014 1.00 73.44 C ATOM 2193 C TYR A 130 7.011 7.554 -6.390 1.00 42.24 C ATOM 2194 O TYR A 130 7.203 8.304 -7.357 1.00 10.13 O ATOM 2195 CB TYR A 130 5.183 7.649 -4.591 1.00 65.41 C ATOM 2196 CG TYR A 130 4.086 7.797 -5.672 1.00 35.31 C ATOM 2197 CD1 TYR A 130 3.614 9.051 -6.060 1.00 71.24 C ATOM 2198 CD2 TYR A 130 3.527 6.675 -6.303 1.00 45.52 C ATOM 2199 CE1 TYR A 130 2.636 9.186 -7.024 1.00 64.34 C ATOM 2200 CE2 TYR A 130 2.551 6.810 -7.270 1.00 73.21 C ATOM 2201 CZ TYR A 130 2.110 8.064 -7.626 1.00 44.22 C ATOM 2202 OH TYR A 130 1.135 8.204 -8.590 1.00 21.21 O ATOM 0 H TYR A 130 6.185 10.005 -5.884 1.00 20.23 H new ATOM 0 HA TYR A 130 7.302 7.779 -4.256 1.00 73.44 H new ATOM 0 HB2 TYR A 130 5.247 6.600 -4.303 1.00 65.41 H new ATOM 0 HB3 TYR A 130 4.875 8.205 -3.705 1.00 65.41 H new ATOM 0 HD1 TYR A 130 4.023 9.936 -5.596 1.00 71.24 H new ATOM 0 HD2 TYR A 130 3.867 5.688 -6.027 1.00 45.52 H new ATOM 0 HE1 TYR A 130 2.284 10.168 -7.306 1.00 64.34 H new ATOM 0 HE2 TYR A 130 2.135 5.934 -7.746 1.00 73.21 H new ATOM 0 HH TYR A 130 0.869 7.319 -8.917 1.00 21.21 H new ATOM 2212 N HIS A 131 7.150 6.218 -6.461 1.00 32.42 N ATOM 2213 CA HIS A 131 7.513 5.503 -7.704 1.00 4.30 C ATOM 2214 C HIS A 131 6.253 4.856 -8.323 1.00 1.03 C ATOM 2215 O HIS A 131 5.693 3.945 -7.729 1.00 1.23 O ATOM 2216 CB HIS A 131 8.590 4.430 -7.400 1.00 55.21 C ATOM 2217 CG HIS A 131 9.876 5.008 -6.864 1.00 24.02 C ATOM 2218 ND1 HIS A 131 10.868 5.436 -7.705 1.00 35.11 N ATOM 2219 CD2 HIS A 131 10.275 5.200 -5.580 1.00 14.23 C ATOM 2220 CE1 HIS A 131 11.835 5.881 -6.932 1.00 1.44 C ATOM 2221 NE2 HIS A 131 11.527 5.756 -5.630 1.00 70.04 N ATOM 0 H HIS A 131 7.014 5.601 -5.660 1.00 32.42 H new ATOM 0 HA HIS A 131 7.926 6.211 -8.422 1.00 4.30 H new ATOM 0 HB2 HIS A 131 8.190 3.719 -6.677 1.00 55.21 H new ATOM 0 HB3 HIS A 131 8.803 3.871 -8.311 1.00 55.21 H new ATOM 0 HD2 HIS A 131 9.713 4.960 -4.689 1.00 14.23 H new ATOM 0 HE1 HIS A 131 12.762 6.296 -7.299 1.00 1.44 H new ATOM 0 HE2 HIS A 131 12.109 6.022 -4.836 1.00 70.04 H new ATOM 2229 N PRO A 132 5.800 5.309 -9.536 1.00 15.00 N ATOM 2230 CA PRO A 132 4.509 4.876 -10.153 1.00 22.10 C ATOM 2231 C PRO A 132 4.508 3.439 -10.727 1.00 72.21 C ATOM 2232 O PRO A 132 3.504 3.016 -11.301 1.00 70.51 O ATOM 2233 CB PRO A 132 4.329 5.907 -11.288 1.00 31.35 C ATOM 2234 CG PRO A 132 5.721 6.226 -11.707 1.00 65.23 C ATOM 2235 CD PRO A 132 6.501 6.289 -10.410 1.00 52.23 C ATOM 0 HA PRO A 132 3.711 4.845 -9.411 1.00 22.10 H new ATOM 0 HB2 PRO A 132 3.748 5.495 -12.113 1.00 31.35 H new ATOM 0 HB3 PRO A 132 3.803 6.796 -10.940 1.00 31.35 H new ATOM 0 HG2 PRO A 132 6.120 5.462 -12.374 1.00 65.23 H new ATOM 0 HG3 PRO A 132 5.767 7.173 -12.244 1.00 65.23 H new ATOM 0 HD2 PRO A 132 7.547 6.020 -10.557 1.00 52.23 H new ATOM 0 HD3 PRO A 132 6.487 7.291 -9.981 1.00 52.23 H new ATOM 2243 N LYS A 133 5.635 2.718 -10.605 1.00 23.44 N ATOM 2244 CA LYS A 133 5.766 1.320 -11.076 1.00 23.41 C ATOM 2245 C LYS A 133 6.170 0.385 -9.926 1.00 15.24 C ATOM 2246 O LYS A 133 6.240 0.805 -8.766 1.00 42.31 O ATOM 2247 CB LYS A 133 6.776 1.242 -12.255 1.00 13.22 C ATOM 2248 CG LYS A 133 6.268 1.855 -13.581 1.00 60.41 C ATOM 2249 CD LYS A 133 5.027 1.117 -14.125 1.00 11.13 C ATOM 2250 CE LYS A 133 4.515 1.709 -15.443 1.00 70.20 C ATOM 2251 NZ LYS A 133 4.069 3.113 -15.277 1.00 53.02 N ATOM 0 H LYS A 133 6.485 3.085 -10.177 1.00 23.44 H new ATOM 0 HA LYS A 133 4.795 0.984 -11.439 1.00 23.41 H new ATOM 0 HB2 LYS A 133 7.695 1.751 -11.963 1.00 13.22 H new ATOM 0 HB3 LYS A 133 7.032 0.197 -12.428 1.00 13.22 H new ATOM 0 HG2 LYS A 133 6.024 2.906 -13.424 1.00 60.41 H new ATOM 0 HG3 LYS A 133 7.064 1.820 -14.324 1.00 60.41 H new ATOM 0 HD2 LYS A 133 5.272 0.066 -14.275 1.00 11.13 H new ATOM 0 HD3 LYS A 133 4.231 1.156 -13.381 1.00 11.13 H new ATOM 0 HE2 LYS A 133 5.305 1.664 -16.193 1.00 70.20 H new ATOM 0 HE3 LYS A 133 3.687 1.106 -15.816 1.00 70.20 H new ATOM 0 HZ1 LYS A 133 3.730 3.480 -16.189 1.00 53.02 H new ATOM 0 HZ2 LYS A 133 3.298 3.152 -14.580 1.00 53.02 H new ATOM 0 HZ3 LYS A 133 4.866 3.693 -14.946 1.00 53.02 H new ATOM 2265 N PHE A 134 6.404 -0.894 -10.272 1.00 41.51 N ATOM 2266 CA PHE A 134 6.744 -1.947 -9.312 1.00 70.00 C ATOM 2267 C PHE A 134 8.257 -2.003 -9.080 1.00 73.10 C ATOM 2268 O PHE A 134 9.040 -2.040 -10.042 1.00 33.32 O ATOM 2269 CB PHE A 134 6.235 -3.328 -9.811 1.00 53.20 C ATOM 2270 CG PHE A 134 4.718 -3.438 -9.872 1.00 51.50 C ATOM 2271 CD1 PHE A 134 3.988 -3.784 -8.733 1.00 71.04 C ATOM 2272 CD2 PHE A 134 4.019 -3.179 -11.049 1.00 71.14 C ATOM 2273 CE1 PHE A 134 2.612 -3.872 -8.771 1.00 25.21 C ATOM 2274 CE2 PHE A 134 2.645 -3.271 -11.088 1.00 51.21 C ATOM 2275 CZ PHE A 134 1.940 -3.612 -9.947 1.00 41.15 C ATOM 0 H PHE A 134 6.361 -1.223 -11.236 1.00 41.51 H new ATOM 0 HA PHE A 134 6.254 -1.711 -8.368 1.00 70.00 H new ATOM 0 HB2 PHE A 134 6.644 -3.519 -10.803 1.00 53.20 H new ATOM 0 HB3 PHE A 134 6.620 -4.106 -9.152 1.00 53.20 H new ATOM 0 HD1 PHE A 134 4.509 -3.986 -7.808 1.00 71.04 H new ATOM 0 HD2 PHE A 134 4.561 -2.903 -11.942 1.00 71.14 H new ATOM 0 HE1 PHE A 134 2.062 -4.144 -7.882 1.00 25.21 H new ATOM 0 HE2 PHE A 134 2.117 -3.077 -12.010 1.00 51.21 H new ATOM 0 HZ PHE A 134 0.862 -3.675 -9.977 1.00 41.15 H new ATOM 2285 N TRP A 135 8.643 -1.993 -7.791 1.00 21.15 N ATOM 2286 CA TRP A 135 10.009 -2.249 -7.332 1.00 64.24 C ATOM 2287 C TRP A 135 10.363 -3.717 -7.578 1.00 40.11 C ATOM 2288 O TRP A 135 10.172 -4.585 -6.717 1.00 13.05 O ATOM 2289 CB TRP A 135 10.172 -1.858 -5.826 1.00 72.31 C ATOM 2290 CG TRP A 135 10.488 -0.399 -5.605 1.00 12.55 C ATOM 2291 CD1 TRP A 135 10.108 0.657 -6.383 1.00 70.34 C ATOM 2292 CD2 TRP A 135 11.264 0.160 -4.533 1.00 14.51 C ATOM 2293 NE1 TRP A 135 10.621 1.819 -5.881 1.00 65.32 N ATOM 2294 CE2 TRP A 135 11.328 1.546 -4.747 1.00 72.10 C ATOM 2295 CE3 TRP A 135 11.919 -0.381 -3.426 1.00 34.33 C ATOM 2296 CZ2 TRP A 135 12.009 2.404 -3.894 1.00 24.01 C ATOM 2297 CZ3 TRP A 135 12.597 0.470 -2.576 1.00 52.53 C ATOM 2298 CH2 TRP A 135 12.642 1.851 -2.818 1.00 62.13 C ATOM 0 H TRP A 135 7.995 -1.802 -7.027 1.00 21.15 H new ATOM 0 HA TRP A 135 10.703 -1.628 -7.899 1.00 64.24 H new ATOM 0 HB2 TRP A 135 9.253 -2.105 -5.295 1.00 72.31 H new ATOM 0 HB3 TRP A 135 10.966 -2.462 -5.388 1.00 72.31 H new ATOM 0 HD1 TRP A 135 9.491 0.584 -7.267 1.00 70.34 H new ATOM 0 HE1 TRP A 135 10.495 2.745 -6.290 1.00 65.32 H new ATOM 0 HE3 TRP A 135 11.896 -1.444 -3.238 1.00 34.33 H new ATOM 0 HZ2 TRP A 135 12.037 3.468 -4.075 1.00 24.01 H new ATOM 0 HZ3 TRP A 135 13.101 0.066 -1.711 1.00 52.53 H new ATOM 0 HH2 TRP A 135 13.188 2.490 -2.140 1.00 62.13 H new ATOM 2309 N THR A 136 10.770 -3.986 -8.814 1.00 44.21 N ATOM 2310 CA THR A 136 11.269 -5.277 -9.236 1.00 11.31 C ATOM 2311 C THR A 136 12.726 -5.055 -9.648 1.00 22.30 C ATOM 2312 O THR A 136 13.003 -4.577 -10.749 1.00 70.23 O ATOM 2313 CB THR A 136 10.400 -5.843 -10.405 1.00 24.23 C ATOM 2314 OG1 THR A 136 9.011 -5.616 -10.121 1.00 20.44 O ATOM 2315 CG2 THR A 136 10.638 -7.348 -10.608 1.00 2.31 C ATOM 0 H THR A 136 10.759 -3.293 -9.562 1.00 44.21 H new ATOM 0 HA THR A 136 11.213 -6.018 -8.439 1.00 11.31 H new ATOM 0 HB THR A 136 10.689 -5.327 -11.321 1.00 24.23 H new ATOM 0 HG1 THR A 136 8.465 -5.969 -10.854 1.00 20.44 H new ATOM 0 HG21 THR A 136 10.017 -7.707 -11.429 1.00 2.31 H new ATOM 0 HG22 THR A 136 11.688 -7.522 -10.844 1.00 2.31 H new ATOM 0 HG23 THR A 136 10.378 -7.884 -9.695 1.00 2.31 H new ATOM 2323 N ASP A 137 13.625 -5.286 -8.687 1.00 25.31 N ATOM 2324 CA ASP A 137 15.062 -5.044 -8.833 1.00 25.44 C ATOM 2325 C ASP A 137 15.661 -5.982 -9.899 1.00 1.45 C ATOM 2326 O ASP A 137 15.821 -7.187 -9.668 1.00 62.40 O ATOM 2327 CB ASP A 137 15.728 -5.217 -7.440 1.00 61.02 C ATOM 2328 CG ASP A 137 17.248 -5.003 -7.426 1.00 21.33 C ATOM 2329 OD1 ASP A 137 17.694 -3.872 -7.697 1.00 32.13 O ATOM 2330 OD2 ASP A 137 18.001 -5.954 -7.116 1.00 30.23 O ATOM 0 H ASP A 137 13.370 -5.653 -7.770 1.00 25.31 H new ATOM 0 HA ASP A 137 15.250 -4.029 -9.182 1.00 25.44 H new ATOM 0 HB2 ASP A 137 15.269 -4.515 -6.743 1.00 61.02 H new ATOM 0 HB3 ASP A 137 15.512 -6.220 -7.071 1.00 61.02 H new ATOM 2335 N GLY A 138 15.942 -5.411 -11.088 1.00 32.12 N ATOM 2336 CA GLY A 138 16.408 -6.169 -12.264 1.00 54.25 C ATOM 2337 C GLY A 138 15.520 -5.957 -13.495 1.00 1.32 C ATOM 2338 O GLY A 138 15.851 -6.424 -14.594 1.00 14.32 O ATOM 0 H GLY A 138 15.852 -4.409 -11.259 1.00 32.12 H new ATOM 0 HA2 GLY A 138 17.429 -5.871 -12.502 1.00 54.25 H new ATOM 0 HA3 GLY A 138 16.435 -7.231 -12.019 1.00 54.25 H new ATOM 2342 N SER A 139 14.404 -5.229 -13.316 1.00 4.14 N ATOM 2343 CA SER A 139 13.367 -5.036 -14.354 1.00 52.43 C ATOM 2344 C SER A 139 13.335 -3.610 -14.915 1.00 33.14 C ATOM 2345 O SER A 139 13.993 -2.693 -14.405 1.00 42.31 O ATOM 2346 CB SER A 139 11.980 -5.368 -13.757 1.00 3.44 C ATOM 2347 OG SER A 139 11.835 -6.760 -13.552 1.00 45.41 O ATOM 0 H SER A 139 14.191 -4.752 -12.440 1.00 4.14 H new ATOM 0 HA SER A 139 13.615 -5.705 -15.178 1.00 52.43 H new ATOM 0 HB2 SER A 139 11.853 -4.842 -12.811 1.00 3.44 H new ATOM 0 HB3 SER A 139 11.197 -5.012 -14.427 1.00 3.44 H new ATOM 0 HG SER A 139 10.903 -6.962 -13.325 1.00 45.41 H new ATOM 2353 N TYR A 140 12.548 -3.462 -15.993 1.00 11.21 N ATOM 2354 CA TYR A 140 12.107 -2.158 -16.492 1.00 14.11 C ATOM 2355 C TYR A 140 10.990 -1.632 -15.561 1.00 30.45 C ATOM 2356 O TYR A 140 10.159 -2.419 -15.074 1.00 72.31 O ATOM 2357 CB TYR A 140 11.606 -2.263 -17.966 1.00 52.34 C ATOM 2358 CG TYR A 140 10.271 -3.008 -18.160 1.00 10.42 C ATOM 2359 CD1 TYR A 140 10.209 -4.405 -18.152 1.00 21.41 C ATOM 2360 CD2 TYR A 140 9.068 -2.308 -18.333 1.00 52.15 C ATOM 2361 CE1 TYR A 140 9.002 -5.065 -18.306 1.00 43.21 C ATOM 2362 CE2 TYR A 140 7.869 -2.966 -18.490 1.00 54.15 C ATOM 2363 CZ TYR A 140 7.840 -4.341 -18.473 1.00 35.25 C ATOM 2364 OH TYR A 140 6.640 -4.995 -18.619 1.00 15.31 O ATOM 0 H TYR A 140 12.201 -4.249 -16.542 1.00 11.21 H new ATOM 0 HA TYR A 140 12.945 -1.461 -16.490 1.00 14.11 H new ATOM 0 HB2 TYR A 140 11.502 -1.256 -18.369 1.00 52.34 H new ATOM 0 HB3 TYR A 140 12.372 -2.765 -18.557 1.00 52.34 H new ATOM 0 HD1 TYR A 140 11.116 -4.977 -18.024 1.00 21.41 H new ATOM 0 HD2 TYR A 140 9.083 -1.228 -18.343 1.00 52.15 H new ATOM 0 HE1 TYR A 140 8.970 -6.144 -18.295 1.00 43.21 H new ATOM 0 HE2 TYR A 140 6.956 -2.405 -18.626 1.00 54.15 H new ATOM 0 HH TYR A 140 5.920 -4.338 -18.725 1.00 15.31 H new ATOM 2374 N GLN A 141 10.976 -0.322 -15.325 1.00 13.40 N ATOM 2375 CA GLN A 141 10.020 0.337 -14.413 1.00 5.01 C ATOM 2376 C GLN A 141 10.095 1.859 -14.612 1.00 54.14 C ATOM 2377 O GLN A 141 10.544 2.319 -15.666 1.00 23.24 O ATOM 2378 CB GLN A 141 10.264 -0.102 -12.927 1.00 5.41 C ATOM 2379 CG GLN A 141 11.702 0.057 -12.428 1.00 24.34 C ATOM 2380 CD GLN A 141 11.902 -0.485 -11.014 1.00 65.02 C ATOM 2381 OE1 GLN A 141 11.757 0.242 -10.031 1.00 51.14 O ATOM 2382 NE2 GLN A 141 12.230 -1.767 -10.901 1.00 11.44 N ATOM 0 H GLN A 141 11.631 0.326 -15.762 1.00 13.40 H new ATOM 0 HA GLN A 141 9.004 0.022 -14.652 1.00 5.01 H new ATOM 0 HB2 GLN A 141 9.606 0.479 -12.281 1.00 5.41 H new ATOM 0 HB3 GLN A 141 9.973 -1.147 -12.821 1.00 5.41 H new ATOM 0 HG2 GLN A 141 12.377 -0.461 -13.109 1.00 24.34 H new ATOM 0 HG3 GLN A 141 11.974 1.112 -12.450 1.00 24.34 H new ATOM 0 HE21 GLN A 141 12.342 -2.340 -11.737 1.00 11.44 H new ATOM 0 HE22 GLN A 141 12.370 -2.178 -9.978 1.00 11.44 H new ATOM 2391 N CYS A 142 9.615 2.613 -13.614 1.00 34.03 N ATOM 2392 CA CYS A 142 9.499 4.071 -13.651 1.00 30.31 C ATOM 2393 C CYS A 142 10.827 4.766 -14.020 1.00 11.44 C ATOM 2394 O CYS A 142 10.946 5.379 -15.087 1.00 2.01 O ATOM 2395 CB CYS A 142 8.988 4.522 -12.267 1.00 15.55 C ATOM 2396 SG CYS A 142 9.838 3.721 -10.864 1.00 51.11 S ATOM 0 H CYS A 142 9.288 2.211 -12.735 1.00 34.03 H new ATOM 0 HA CYS A 142 8.801 4.363 -14.435 1.00 30.31 H new ATOM 0 HB2 CYS A 142 9.107 5.602 -12.182 1.00 15.55 H new ATOM 0 HB3 CYS A 142 7.920 4.312 -12.199 1.00 15.55 H new ATOM 0 HG CYS A 142 10.892 4.411 -10.544 1.00 51.11 H new ATOM 2401 N CYS A 143 11.807 4.652 -13.129 1.00 72.01 N ATOM 2402 CA CYS A 143 13.132 5.265 -13.288 1.00 71.13 C ATOM 2403 C CYS A 143 14.243 4.229 -13.064 1.00 52.21 C ATOM 2404 O CYS A 143 15.422 4.541 -13.274 1.00 74.22 O ATOM 2405 CB CYS A 143 13.255 6.416 -12.278 1.00 33.10 C ATOM 2406 SG CYS A 143 12.909 5.903 -10.573 1.00 4.24 S ATOM 0 H CYS A 143 11.707 4.125 -12.262 1.00 72.01 H new ATOM 0 HA CYS A 143 13.242 5.647 -14.303 1.00 71.13 H new ATOM 0 HB2 CYS A 143 14.262 6.831 -12.329 1.00 33.10 H new ATOM 0 HB3 CYS A 143 12.567 7.213 -12.558 1.00 33.10 H new ATOM 0 HG CYS A 143 13.439 6.756 -9.747 1.00 4.24 H new ATOM 2411 N ARG A 144 13.847 2.997 -12.610 1.00 31.41 N ATOM 2412 CA ARG A 144 14.776 1.884 -12.280 1.00 42.25 C ATOM 2413 C ARG A 144 15.601 2.240 -11.022 1.00 44.42 C ATOM 2414 O ARG A 144 16.655 1.656 -10.774 1.00 44.13 O ATOM 2415 CB ARG A 144 15.696 1.461 -13.488 1.00 11.22 C ATOM 2416 CG ARG A 144 15.003 0.657 -14.628 1.00 55.44 C ATOM 2417 CD ARG A 144 14.025 1.499 -15.470 1.00 61.42 C ATOM 2418 NE ARG A 144 14.685 2.670 -16.067 1.00 3.25 N ATOM 2419 CZ ARG A 144 14.068 3.695 -16.676 1.00 15.31 C ATOM 2420 NH1 ARG A 144 12.742 3.745 -16.775 1.00 42.35 N ATOM 2421 NH2 ARG A 144 14.787 4.707 -17.126 1.00 23.14 N ATOM 0 H ARG A 144 12.867 2.756 -12.465 1.00 31.41 H new ATOM 0 HA ARG A 144 14.167 1.006 -12.064 1.00 42.25 H new ATOM 0 HB2 ARG A 144 16.132 2.362 -13.920 1.00 11.22 H new ATOM 0 HB3 ARG A 144 16.520 0.863 -13.099 1.00 11.22 H new ATOM 0 HG2 ARG A 144 15.767 0.240 -15.283 1.00 55.44 H new ATOM 0 HG3 ARG A 144 14.463 -0.184 -14.192 1.00 55.44 H new ATOM 0 HD2 ARG A 144 13.600 0.880 -16.260 1.00 61.42 H new ATOM 0 HD3 ARG A 144 13.197 1.829 -14.843 1.00 61.42 H new ATOM 0 HE ARG A 144 15.703 2.707 -16.013 1.00 3.25 H new ATOM 0 HH11 ARG A 144 12.173 2.995 -16.384 1.00 42.35 H new ATOM 0 HH12 ARG A 144 12.295 4.534 -17.242 1.00 42.35 H new ATOM 0 HH21 ARG A 144 15.800 4.704 -17.009 1.00 23.14 H new ATOM 0 HH22 ARG A 144 14.329 5.491 -17.590 1.00 23.14 H new ATOM 2435 N GLN A 145 15.069 3.176 -10.198 1.00 72.35 N ATOM 2436 CA GLN A 145 15.730 3.630 -8.947 1.00 52.35 C ATOM 2437 C GLN A 145 15.253 2.797 -7.736 1.00 70.24 C ATOM 2438 O GLN A 145 15.262 3.265 -6.590 1.00 13.30 O ATOM 2439 CB GLN A 145 15.485 5.147 -8.721 1.00 71.31 C ATOM 2440 CG GLN A 145 16.137 6.072 -9.771 1.00 72.21 C ATOM 2441 CD GLN A 145 15.853 7.573 -9.569 1.00 5.25 C ATOM 2442 OE1 GLN A 145 14.664 7.923 -9.076 1.00 41.41 O flip ATOM 2443 NE2 GLN A 145 16.690 8.422 -9.889 1.00 13.41 N flip ATOM 0 H GLN A 145 14.176 3.635 -10.379 1.00 72.35 H new ATOM 0 HA GLN A 145 16.804 3.474 -9.050 1.00 52.35 H new ATOM 0 HB2 GLN A 145 14.410 5.330 -8.714 1.00 71.31 H new ATOM 0 HB3 GLN A 145 15.861 5.418 -7.735 1.00 71.31 H new ATOM 0 HG2 GLN A 145 17.215 5.914 -9.755 1.00 72.21 H new ATOM 0 HG3 GLN A 145 15.787 5.780 -10.761 1.00 72.21 H new ATOM 0 HE21 GLN A 145 17.593 8.132 -10.264 1.00 13.41 H new ATOM 0 HE22 GLN A 145 16.479 9.414 -9.778 1.00 13.41 H new ATOM 2452 N THR A 146 14.878 1.538 -8.013 1.00 61.21 N ATOM 2453 CA THR A 146 14.629 0.504 -7.000 1.00 23.41 C ATOM 2454 C THR A 146 15.960 0.017 -6.376 1.00 62.33 C ATOM 2455 O THR A 146 15.952 -0.735 -5.401 1.00 23.12 O ATOM 2456 CB THR A 146 13.881 -0.707 -7.647 1.00 65.42 C ATOM 2457 OG1 THR A 146 13.521 -1.673 -6.649 1.00 64.23 O ATOM 2458 CG2 THR A 146 14.731 -1.383 -8.743 1.00 4.02 C ATOM 0 H THR A 146 14.737 1.205 -8.967 1.00 61.21 H new ATOM 0 HA THR A 146 14.011 0.936 -6.213 1.00 23.41 H new ATOM 0 HB THR A 146 12.976 -0.315 -8.111 1.00 65.42 H new ATOM 0 HG1 THR A 146 14.119 -1.585 -5.878 1.00 64.23 H new ATOM 0 HG21 THR A 146 14.177 -2.220 -9.169 1.00 4.02 H new ATOM 0 HG22 THR A 146 14.955 -0.660 -9.527 1.00 4.02 H new ATOM 0 HG23 THR A 146 15.662 -1.747 -8.308 1.00 4.02 H new ATOM 2466 N GLU A 147 17.095 0.457 -6.991 1.00 13.35 N ATOM 2467 CA GLU A 147 18.477 0.146 -6.556 1.00 15.40 C ATOM 2468 C GLU A 147 18.701 0.488 -5.070 1.00 32.24 C ATOM 2469 O GLU A 147 19.371 -0.247 -4.346 1.00 73.14 O ATOM 2470 CB GLU A 147 19.479 0.939 -7.441 1.00 52.02 C ATOM 2471 CG GLU A 147 19.383 0.622 -8.950 1.00 65.01 C ATOM 2472 CD GLU A 147 20.299 1.510 -9.809 1.00 74.30 C ATOM 2473 OE1 GLU A 147 21.495 1.180 -9.969 1.00 72.13 O ATOM 2474 OE2 GLU A 147 19.824 2.559 -10.307 1.00 63.44 O ATOM 0 H GLU A 147 17.067 1.050 -7.820 1.00 13.35 H new ATOM 0 HA GLU A 147 18.639 -0.926 -6.671 1.00 15.40 H new ATOM 0 HB2 GLU A 147 19.310 2.006 -7.294 1.00 52.02 H new ATOM 0 HB3 GLU A 147 20.493 0.727 -7.101 1.00 52.02 H new ATOM 0 HG2 GLU A 147 19.643 -0.424 -9.113 1.00 65.01 H new ATOM 0 HG3 GLU A 147 18.351 0.749 -9.278 1.00 65.01 H new ATOM 2481 N LYS A 148 18.104 1.603 -4.643 1.00 35.23 N ATOM 2482 CA LYS A 148 18.175 2.103 -3.266 1.00 20.24 C ATOM 2483 C LYS A 148 16.848 2.822 -2.950 1.00 4.40 C ATOM 2484 O LYS A 148 16.002 2.985 -3.842 1.00 70.13 O ATOM 2485 CB LYS A 148 19.421 3.043 -3.105 1.00 74.01 C ATOM 2486 CG LYS A 148 19.762 3.466 -1.649 1.00 34.21 C ATOM 2487 CD LYS A 148 20.014 2.261 -0.706 1.00 30.51 C ATOM 2488 CE LYS A 148 21.227 1.410 -1.114 1.00 12.03 C ATOM 2489 NZ LYS A 148 21.389 0.228 -0.230 1.00 10.53 N ATOM 0 H LYS A 148 17.546 2.197 -5.257 1.00 35.23 H new ATOM 0 HA LYS A 148 18.304 1.287 -2.555 1.00 20.24 H new ATOM 0 HB2 LYS A 148 20.290 2.541 -3.531 1.00 74.01 H new ATOM 0 HB3 LYS A 148 19.252 3.944 -3.695 1.00 74.01 H new ATOM 0 HG2 LYS A 148 20.647 4.102 -1.660 1.00 34.21 H new ATOM 0 HG3 LYS A 148 18.944 4.066 -1.251 1.00 34.21 H new ATOM 0 HD2 LYS A 148 20.162 2.629 0.309 1.00 30.51 H new ATOM 0 HD3 LYS A 148 19.126 1.630 -0.690 1.00 30.51 H new ATOM 0 HE2 LYS A 148 21.109 1.080 -2.146 1.00 12.03 H new ATOM 0 HE3 LYS A 148 22.129 2.020 -1.075 1.00 12.03 H new ATOM 0 HZ1 LYS A 148 22.217 -0.323 -0.535 1.00 10.53 H new ATOM 0 HZ2 LYS A 148 21.526 0.544 0.751 1.00 10.53 H new ATOM 0 HZ3 LYS A 148 20.538 -0.367 -0.286 1.00 10.53 H new ATOM 2503 N LEU A 149 16.648 3.190 -1.671 1.00 11.10 N ATOM 2504 CA LEU A 149 15.500 3.989 -1.216 1.00 20.01 C ATOM 2505 C LEU A 149 15.577 5.412 -1.790 1.00 2.20 C ATOM 2506 O LEU A 149 16.046 6.350 -1.127 1.00 31.01 O ATOM 2507 CB LEU A 149 15.457 4.010 0.340 1.00 13.32 C ATOM 2508 CG LEU A 149 15.296 2.621 1.033 1.00 51.23 C ATOM 2509 CD1 LEU A 149 15.478 2.727 2.561 1.00 51.11 C ATOM 2510 CD2 LEU A 149 13.940 1.974 0.671 1.00 23.04 C ATOM 0 H LEU A 149 17.287 2.937 -0.918 1.00 11.10 H new ATOM 0 HA LEU A 149 14.579 3.534 -1.579 1.00 20.01 H new ATOM 0 HB2 LEU A 149 16.374 4.472 0.704 1.00 13.32 H new ATOM 0 HB3 LEU A 149 14.632 4.649 0.653 1.00 13.32 H new ATOM 0 HG LEU A 149 16.086 1.971 0.657 1.00 51.23 H new ATOM 0 HD11 LEU A 149 15.359 1.741 3.011 1.00 51.11 H new ATOM 0 HD12 LEU A 149 16.474 3.110 2.783 1.00 51.11 H new ATOM 0 HD13 LEU A 149 14.729 3.405 2.970 1.00 51.11 H new ATOM 0 HD21 LEU A 149 13.854 1.007 1.167 1.00 23.04 H new ATOM 0 HD22 LEU A 149 13.128 2.623 0.998 1.00 23.04 H new ATOM 0 HD23 LEU A 149 13.880 1.834 -0.408 1.00 23.04 H new ATOM 2522 N ALA A 150 15.164 5.536 -3.057 1.00 1.42 N ATOM 2523 CA ALA A 150 15.105 6.819 -3.766 1.00 44.45 C ATOM 2524 C ALA A 150 13.891 7.628 -3.260 1.00 11.41 C ATOM 2525 O ALA A 150 12.865 7.022 -2.910 1.00 42.23 O ATOM 2526 CB ALA A 150 15.032 6.575 -5.286 1.00 2.23 C ATOM 0 H ALA A 150 14.859 4.744 -3.622 1.00 1.42 H new ATOM 0 HA ALA A 150 16.007 7.398 -3.567 1.00 44.45 H new ATOM 0 HB1 ALA A 150 14.988 7.532 -5.806 1.00 2.23 H new ATOM 0 HB2 ALA A 150 15.916 6.026 -5.609 1.00 2.23 H new ATOM 0 HB3 ALA A 150 14.139 5.994 -5.519 1.00 2.23 H new ATOM 2532 N PRO A 151 13.969 8.999 -3.224 1.00 60.33 N ATOM 2533 CA PRO A 151 12.872 9.871 -2.713 1.00 53.20 C ATOM 2534 C PRO A 151 11.719 10.052 -3.727 1.00 4.10 C ATOM 2535 O PRO A 151 11.137 11.138 -3.832 1.00 1.33 O ATOM 2536 CB PRO A 151 13.617 11.203 -2.436 1.00 14.22 C ATOM 2537 CG PRO A 151 14.684 11.254 -3.491 1.00 71.53 C ATOM 2538 CD PRO A 151 15.141 9.815 -3.668 1.00 62.41 C ATOM 0 HA PRO A 151 12.371 9.454 -1.839 1.00 53.20 H new ATOM 0 HB2 PRO A 151 12.945 12.058 -2.508 1.00 14.22 H new ATOM 0 HB3 PRO A 151 14.046 11.218 -1.434 1.00 14.22 H new ATOM 0 HG2 PRO A 151 14.295 11.661 -4.424 1.00 71.53 H new ATOM 0 HG3 PRO A 151 15.511 11.894 -3.184 1.00 71.53 H new ATOM 0 HD2 PRO A 151 15.402 9.605 -4.705 1.00 62.41 H new ATOM 0 HD3 PRO A 151 16.025 9.601 -3.067 1.00 62.41 H new ATOM 2546 N GLY A 152 11.368 8.951 -4.427 1.00 42.43 N ATOM 2547 CA GLY A 152 10.368 8.973 -5.477 1.00 2.25 C ATOM 2548 C GLY A 152 10.917 9.481 -6.793 1.00 33.31 C ATOM 2549 O GLY A 152 12.126 9.720 -6.924 1.00 14.42 O ATOM 0 H GLY A 152 11.779 8.031 -4.268 1.00 42.43 H new ATOM 0 HA2 GLY A 152 9.971 7.967 -5.617 1.00 2.25 H new ATOM 0 HA3 GLY A 152 9.535 9.604 -5.167 1.00 2.25 H new ATOM 2553 N CYS A 153 10.026 9.627 -7.770 1.00 45.12 N ATOM 2554 CA CYS A 153 10.355 10.170 -9.098 1.00 61.13 C ATOM 2555 C CYS A 153 9.164 10.981 -9.637 1.00 72.15 C ATOM 2556 O CYS A 153 9.348 12.037 -10.249 1.00 24.53 O ATOM 2557 CB CYS A 153 10.700 9.010 -10.041 1.00 24.13 C ATOM 2558 SG CYS A 153 9.377 7.767 -10.166 1.00 13.11 S ATOM 0 H CYS A 153 9.044 9.371 -7.668 1.00 45.12 H new ATOM 0 HA CYS A 153 11.215 10.836 -9.028 1.00 61.13 H new ATOM 0 HB2 CYS A 153 10.910 9.408 -11.034 1.00 24.13 H new ATOM 0 HB3 CYS A 153 11.612 8.526 -9.692 1.00 24.13 H new ATOM 0 HG CYS A 153 8.977 7.682 -11.400 1.00 13.11 H new ATOM 2563 N GLU A 154 7.944 10.478 -9.382 1.00 50.21 N ATOM 2564 CA GLU A 154 6.685 11.163 -9.731 1.00 1.14 C ATOM 2565 C GLU A 154 6.067 11.751 -8.465 1.00 4.42 C ATOM 2566 O GLU A 154 6.099 11.107 -7.420 1.00 4.42 O ATOM 2567 CB GLU A 154 5.705 10.182 -10.422 1.00 34.10 C ATOM 2568 CG GLU A 154 6.110 9.799 -11.861 1.00 5.44 C ATOM 2569 CD GLU A 154 6.075 10.996 -12.831 1.00 60.45 C ATOM 2570 OE1 GLU A 154 5.008 11.268 -13.423 1.00 1.35 O ATOM 2571 OE2 GLU A 154 7.111 11.674 -13.001 1.00 64.55 O ATOM 0 H GLU A 154 7.802 9.578 -8.924 1.00 50.21 H new ATOM 0 HA GLU A 154 6.893 11.970 -10.433 1.00 1.14 H new ATOM 0 HB2 GLU A 154 5.632 9.275 -9.822 1.00 34.10 H new ATOM 0 HB3 GLU A 154 4.712 10.631 -10.442 1.00 34.10 H new ATOM 0 HG2 GLU A 154 7.114 9.376 -11.850 1.00 5.44 H new ATOM 0 HG3 GLU A 154 5.440 9.021 -12.227 1.00 5.44 H new ATOM 2578 N LYS A 155 5.498 12.964 -8.576 1.00 63.34 N ATOM 2579 CA LYS A 155 5.024 13.741 -7.418 1.00 14.00 C ATOM 2580 C LYS A 155 3.865 13.026 -6.680 1.00 5.54 C ATOM 2581 O LYS A 155 2.895 12.563 -7.294 1.00 75.53 O ATOM 2582 CB LYS A 155 4.689 15.223 -7.842 1.00 64.41 C ATOM 2583 CG LYS A 155 3.847 15.411 -9.137 1.00 25.32 C ATOM 2584 CD LYS A 155 2.321 15.239 -8.934 1.00 5.11 C ATOM 2585 CE LYS A 155 1.527 15.468 -10.228 1.00 53.41 C ATOM 2586 NZ LYS A 155 0.077 15.208 -10.052 1.00 31.22 N ATOM 0 H LYS A 155 5.354 13.433 -9.470 1.00 63.34 H new ATOM 0 HA LYS A 155 5.831 13.804 -6.688 1.00 14.00 H new ATOM 0 HB2 LYS A 155 4.156 15.699 -7.019 1.00 64.41 H new ATOM 0 HB3 LYS A 155 5.629 15.761 -7.967 1.00 64.41 H new ATOM 0 HG2 LYS A 155 4.039 16.405 -9.540 1.00 25.32 H new ATOM 0 HG3 LYS A 155 4.186 14.693 -9.884 1.00 25.32 H new ATOM 0 HD2 LYS A 155 2.118 14.236 -8.560 1.00 5.11 H new ATOM 0 HD3 LYS A 155 1.978 15.939 -8.172 1.00 5.11 H new ATOM 0 HE2 LYS A 155 1.672 16.495 -10.564 1.00 53.41 H new ATOM 0 HE3 LYS A 155 1.918 14.819 -11.011 1.00 53.41 H new ATOM 0 HZ1 LYS A 155 -0.417 15.376 -10.951 1.00 31.22 H new ATOM 0 HZ2 LYS A 155 -0.065 14.221 -9.757 1.00 31.22 H new ATOM 0 HZ3 LYS A 155 -0.304 15.845 -9.324 1.00 31.22 H new ATOM 2600 N TYR A 156 4.041 12.883 -5.361 1.00 1.13 N ATOM 2601 CA TYR A 156 3.055 12.290 -4.452 1.00 4.43 C ATOM 2602 C TYR A 156 2.186 13.402 -3.863 1.00 15.24 C ATOM 2603 O TYR A 156 2.700 14.319 -3.207 1.00 64.32 O ATOM 2604 CB TYR A 156 3.782 11.513 -3.319 1.00 51.21 C ATOM 2605 CG TYR A 156 2.855 10.938 -2.241 1.00 42.50 C ATOM 2606 CD1 TYR A 156 1.990 9.884 -2.530 1.00 14.02 C ATOM 2607 CD2 TYR A 156 2.835 11.454 -0.936 1.00 75.53 C ATOM 2608 CE1 TYR A 156 1.148 9.368 -1.568 1.00 51.23 C ATOM 2609 CE2 TYR A 156 1.994 10.934 0.028 1.00 13.44 C ATOM 2610 CZ TYR A 156 1.150 9.893 -0.296 1.00 14.23 C ATOM 2611 OH TYR A 156 0.310 9.367 0.659 1.00 60.22 O ATOM 0 H TYR A 156 4.892 13.183 -4.886 1.00 1.13 H new ATOM 0 HA TYR A 156 2.422 11.591 -4.999 1.00 4.43 H new ATOM 0 HB2 TYR A 156 4.350 10.696 -3.764 1.00 51.21 H new ATOM 0 HB3 TYR A 156 4.501 12.180 -2.843 1.00 51.21 H new ATOM 0 HD1 TYR A 156 1.979 9.464 -3.525 1.00 14.02 H new ATOM 0 HD2 TYR A 156 3.490 12.274 -0.681 1.00 75.53 H new ATOM 0 HE1 TYR A 156 0.486 8.551 -1.813 1.00 51.23 H new ATOM 0 HE2 TYR A 156 1.997 11.340 1.029 1.00 13.44 H new ATOM 0 HH TYR A 156 -0.312 8.738 0.237 1.00 60.22 H new ATOM 2621 N ASN A 157 0.877 13.310 -4.093 1.00 44.03 N ATOM 2622 CA ASN A 157 -0.105 14.261 -3.574 1.00 1.21 C ATOM 2623 C ASN A 157 -0.757 13.678 -2.305 1.00 52.05 C ATOM 2624 O ASN A 157 -1.625 12.805 -2.368 1.00 43.42 O ATOM 2625 CB ASN A 157 -1.139 14.615 -4.689 1.00 3.33 C ATOM 2626 CG ASN A 157 -1.803 13.397 -5.346 1.00 10.32 C ATOM 2627 OD1 ASN A 157 -1.211 12.736 -6.199 1.00 12.21 O ATOM 2628 ND2 ASN A 157 -3.038 13.111 -4.985 1.00 22.21 N ATOM 0 H ASN A 157 0.463 12.564 -4.652 1.00 44.03 H new ATOM 0 HA ASN A 157 0.377 15.196 -3.288 1.00 1.21 H new ATOM 0 HB2 ASN A 157 -1.915 15.250 -4.260 1.00 3.33 H new ATOM 0 HB3 ASN A 157 -0.638 15.201 -5.460 1.00 3.33 H new ATOM 0 HD21 ASN A 157 -3.526 12.325 -5.415 1.00 22.21 H new ATOM 0 HD22 ASN A 157 -3.506 13.675 -4.275 1.00 22.21 H new ATOM 2635 N LEU A 158 -0.258 14.121 -1.140 1.00 4.44 N ATOM 2636 CA LEU A 158 -0.791 13.716 0.177 1.00 2.10 C ATOM 2637 C LEU A 158 -2.132 14.438 0.454 1.00 32.53 C ATOM 2638 O LEU A 158 -3.025 13.894 1.118 1.00 5.14 O ATOM 2639 CB LEU A 158 0.261 14.020 1.283 1.00 62.21 C ATOM 2640 CG LEU A 158 -0.095 13.576 2.745 1.00 62.41 C ATOM 2641 CD1 LEU A 158 -0.365 12.055 2.841 1.00 4.42 C ATOM 2642 CD2 LEU A 158 1.011 14.015 3.731 1.00 13.22 C ATOM 0 H LEU A 158 0.526 14.770 -1.081 1.00 4.44 H new ATOM 0 HA LEU A 158 -0.986 12.644 0.179 1.00 2.10 H new ATOM 0 HB2 LEU A 158 1.198 13.539 1.001 1.00 62.21 H new ATOM 0 HB3 LEU A 158 0.444 15.094 1.290 1.00 62.21 H new ATOM 0 HG LEU A 158 -1.022 14.077 3.025 1.00 62.41 H new ATOM 0 HD11 LEU A 158 -0.607 11.793 3.871 1.00 4.42 H new ATOM 0 HD12 LEU A 158 -1.201 11.792 2.193 1.00 4.42 H new ATOM 0 HD13 LEU A 158 0.523 11.507 2.527 1.00 4.42 H new ATOM 0 HD21 LEU A 158 0.746 13.698 4.740 1.00 13.22 H new ATOM 0 HD22 LEU A 158 1.957 13.557 3.444 1.00 13.22 H new ATOM 0 HD23 LEU A 158 1.111 15.100 3.706 1.00 13.22 H new ATOM 2654 N PHE A 159 -2.252 15.668 -0.081 1.00 41.02 N ATOM 2655 CA PHE A 159 -3.473 16.501 0.002 1.00 60.31 C ATOM 2656 C PHE A 159 -3.880 16.961 -1.410 1.00 52.13 C ATOM 2657 O PHE A 159 -5.032 16.802 -1.826 1.00 44.14 O ATOM 2658 CB PHE A 159 -3.230 17.734 0.914 1.00 65.00 C ATOM 2659 CG PHE A 159 -2.820 17.372 2.338 1.00 41.02 C ATOM 2660 CD1 PHE A 159 -3.773 16.949 3.265 1.00 61.32 C ATOM 2661 CD2 PHE A 159 -1.483 17.430 2.746 1.00 15.22 C ATOM 2662 CE1 PHE A 159 -3.408 16.606 4.548 1.00 51.33 C ATOM 2663 CE2 PHE A 159 -1.123 17.082 4.034 1.00 50.21 C ATOM 2664 CZ PHE A 159 -2.084 16.670 4.932 1.00 13.44 C ATOM 0 H PHE A 159 -1.493 16.120 -0.591 1.00 41.02 H new ATOM 0 HA PHE A 159 -4.277 15.906 0.435 1.00 60.31 H new ATOM 0 HB2 PHE A 159 -2.454 18.357 0.469 1.00 65.00 H new ATOM 0 HB3 PHE A 159 -4.139 18.334 0.949 1.00 65.00 H new ATOM 0 HD1 PHE A 159 -4.811 16.890 2.973 1.00 61.32 H new ATOM 0 HD2 PHE A 159 -0.724 17.750 2.047 1.00 15.22 H new ATOM 0 HE1 PHE A 159 -4.159 16.286 5.255 1.00 51.33 H new ATOM 0 HE2 PHE A 159 -0.088 17.133 4.337 1.00 50.21 H new ATOM 0 HZ PHE A 159 -1.800 16.397 5.938 1.00 13.44 H new