USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 991 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 103 SER OG : rot -70:sc= 0.637 USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.32) USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0.0928 USER MOD Set 3.2: A 47 GLN : amide:sc= 0.875 K(o=0.97,f=-7.7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -150:sc= -0.498 (180deg=-0.946) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 1.22 (180deg=-0.00823) USER MOD Single : A 21 SER OG : rot 92:sc= 1.21 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0.67 (180deg=0.314) USER MOD Single : A 26 ASN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -61:sc= -0.349 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 54 SER OG : rot -3:sc= 0.965 USER MOD Single : A 58 ASN :FLIP amide:sc= 1.06 F(o=0,f=1.1) USER MOD Single : A 62 SER OG : rot 170:sc= 1.15 USER MOD Single : A 63 MET CE :methyl 144:sc= -0.947 (180deg=-2.27!) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.2) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.12 (180deg=0.987) USER MOD Single : A 73 SER OG : rot 56:sc= 1.22 USER MOD Single : A 76 TYR OH : rot 127:sc=0.000522 USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0161 (180deg=-0.249) USER MOD Single : A 79 GLN : amide:sc= -0.394 K(o=-0.39,f=-1.9) USER MOD Single : A 86 ASN : amide:sc= -0.241 K(o=-0.24,f=-5.3!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-3.7!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 110 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00794) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 93:sc= 1.24 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.0543 F(o=-4.2!,f=-0.054) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 215 N TYR A 14 -5.436 -11.616 -7.307 1.00 0.00 N ATOM 216 CA TYR A 14 -6.549 -10.680 -7.264 1.00 0.00 C ATOM 217 C TYR A 14 -6.204 -9.407 -8.023 1.00 0.00 C ATOM 218 O TYR A 14 -5.099 -8.876 -7.891 1.00 0.00 O ATOM 219 CB TYR A 14 -6.903 -10.333 -5.815 1.00 0.00 C ATOM 220 CG TYR A 14 -7.332 -11.524 -4.985 1.00 0.00 C ATOM 221 CD1 TYR A 14 -6.395 -12.311 -4.328 1.00 0.00 C ATOM 222 CD2 TYR A 14 -8.675 -11.856 -4.853 1.00 0.00 C ATOM 223 CE1 TYR A 14 -6.781 -13.395 -3.566 1.00 0.00 C ATOM 224 CE2 TYR A 14 -9.070 -12.940 -4.092 1.00 0.00 C ATOM 225 CZ TYR A 14 -8.119 -13.706 -3.451 1.00 0.00 C ATOM 226 OH TYR A 14 -8.510 -14.784 -2.688 1.00 0.00 O ATOM 0 HA TYR A 14 -7.409 -11.155 -7.736 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.039 -9.866 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.705 -9.595 -5.814 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.346 -12.070 -4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.422 -11.257 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.039 -13.996 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.118 -13.186 -4.000 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.486 -14.864 -2.711 1.00 0.00 H new ATOM 236 N ALA A 15 -7.149 -8.922 -8.814 1.00 0.00 N ATOM 237 CA ALA A 15 -6.937 -7.717 -9.595 1.00 0.00 C ATOM 238 C ALA A 15 -8.257 -7.011 -9.883 1.00 0.00 C ATOM 239 O ALA A 15 -9.301 -7.654 -10.005 1.00 0.00 O ATOM 240 CB ALA A 15 -6.229 -8.054 -10.896 1.00 0.00 C ATOM 0 H ALA A 15 -8.069 -9.346 -8.931 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.311 -7.041 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.075 -7.142 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.264 -8.512 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.839 -8.750 -11.472 1.00 0.00 H new ATOM 246 N MET A 16 -8.201 -5.692 -9.984 1.00 0.00 N ATOM 247 CA MET A 16 -9.369 -4.902 -10.340 1.00 0.00 C ATOM 248 C MET A 16 -9.460 -4.750 -11.847 1.00 0.00 C ATOM 249 O MET A 16 -8.639 -4.072 -12.466 1.00 0.00 O ATOM 250 CB MET A 16 -9.334 -3.527 -9.675 1.00 0.00 C ATOM 251 CG MET A 16 -9.814 -3.541 -8.238 1.00 0.00 C ATOM 252 SD MET A 16 -11.521 -4.098 -8.082 1.00 0.00 S ATOM 253 CE MET A 16 -11.753 -3.941 -6.314 1.00 0.00 C ATOM 0 H MET A 16 -7.355 -5.144 -9.824 1.00 0.00 H new ATOM 0 HA MET A 16 -10.252 -5.429 -9.979 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.315 -3.143 -9.706 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.952 -2.838 -10.250 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.168 -4.193 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.723 -2.539 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 16 -12.472 -4.686 -5.974 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.801 -4.098 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 16 -12.127 -2.944 -6.083 1.00 0.00 H new ATOM 263 N LYS A 17 -10.454 -5.396 -12.427 1.00 0.00 N ATOM 264 CA LYS A 17 -10.628 -5.406 -13.867 1.00 0.00 C ATOM 265 C LYS A 17 -11.994 -4.863 -14.247 1.00 0.00 C ATOM 266 O LYS A 17 -13.003 -5.215 -13.632 1.00 0.00 O ATOM 267 CB LYS A 17 -10.492 -6.828 -14.410 1.00 0.00 C ATOM 268 CG LYS A 17 -9.122 -7.445 -14.205 1.00 0.00 C ATOM 269 CD LYS A 17 -9.107 -8.888 -14.678 1.00 0.00 C ATOM 270 CE LYS A 17 -7.706 -9.468 -14.675 1.00 0.00 C ATOM 271 NZ LYS A 17 -6.782 -8.703 -15.554 1.00 0.00 N ATOM 0 H LYS A 17 -11.160 -5.926 -11.916 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.854 -4.772 -14.301 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.238 -7.461 -13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.719 -6.821 -15.476 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.374 -6.870 -14.751 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.852 -7.400 -13.150 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.750 -9.488 -14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.522 -8.945 -15.684 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.318 -9.471 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.743 -10.506 -15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.970 -9.301 -15.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.284 -8.415 -16.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.445 -7.857 -15.051 1.00 0.00 H new ATOM 285 N PRO A 18 -12.045 -3.987 -15.255 1.00 0.00 N ATOM 286 CA PRO A 18 -13.308 -3.544 -15.833 1.00 0.00 C ATOM 287 C PRO A 18 -14.051 -4.721 -16.447 1.00 0.00 C ATOM 288 O PRO A 18 -13.548 -5.373 -17.365 1.00 0.00 O ATOM 289 CB PRO A 18 -12.891 -2.540 -16.912 1.00 0.00 C ATOM 290 CG PRO A 18 -11.497 -2.147 -16.559 1.00 0.00 C ATOM 291 CD PRO A 18 -10.888 -3.348 -15.898 1.00 0.00 C ATOM 0 HA PRO A 18 -13.981 -3.107 -15.096 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.935 -2.987 -17.905 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.554 -1.675 -16.923 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.934 -1.863 -17.448 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.491 -1.287 -15.889 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.411 -4.009 -16.621 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.126 -3.067 -15.172 1.00 0.00 H new ATOM 299 N GLY A 19 -15.229 -5.015 -15.921 1.00 0.00 N ATOM 300 CA GLY A 19 -15.965 -6.177 -16.374 1.00 0.00 C ATOM 301 C GLY A 19 -16.264 -7.131 -15.237 1.00 0.00 C ATOM 302 O GLY A 19 -17.030 -8.083 -15.396 1.00 0.00 O ATOM 0 H GLY A 19 -15.689 -4.472 -15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.899 -5.858 -16.836 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.390 -6.695 -17.142 1.00 0.00 H new ATOM 306 N LEU A 20 -15.644 -6.885 -14.090 1.00 0.00 N ATOM 307 CA LEU A 20 -15.937 -7.651 -12.888 1.00 0.00 C ATOM 308 C LEU A 20 -17.168 -7.066 -12.208 1.00 0.00 C ATOM 309 O LEU A 20 -17.357 -5.847 -12.198 1.00 0.00 O ATOM 310 CB LEU A 20 -14.754 -7.631 -11.913 1.00 0.00 C ATOM 311 CG LEU A 20 -13.424 -8.162 -12.457 1.00 0.00 C ATOM 312 CD1 LEU A 20 -12.359 -8.099 -11.374 1.00 0.00 C ATOM 313 CD2 LEU A 20 -13.569 -9.586 -12.972 1.00 0.00 C ATOM 0 H LEU A 20 -14.936 -6.161 -13.968 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.122 -8.686 -13.175 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.603 -6.605 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.024 -8.217 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.122 -7.533 -13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.416 -8.478 -11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.228 -7.066 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.668 -8.708 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.609 -9.935 -13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.896 -10.235 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -14.306 -9.609 -13.774 1.00 0.00 H new ATOM 325 N SER A 21 -18.003 -7.924 -11.648 1.00 0.00 N ATOM 326 CA SER A 21 -19.218 -7.477 -10.989 1.00 0.00 C ATOM 327 C SER A 21 -18.893 -6.928 -9.604 1.00 0.00 C ATOM 328 O SER A 21 -17.755 -7.044 -9.134 1.00 0.00 O ATOM 329 CB SER A 21 -20.205 -8.638 -10.883 1.00 0.00 C ATOM 330 OG SER A 21 -20.189 -9.420 -12.066 1.00 0.00 O ATOM 0 H SER A 21 -17.862 -8.934 -11.636 1.00 0.00 H new ATOM 0 HA SER A 21 -19.672 -6.681 -11.579 1.00 0.00 H new ATOM 0 HB2 SER A 21 -19.950 -9.261 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 21 -21.210 -8.253 -10.709 1.00 0.00 H new ATOM 0 HG SER A 21 -19.542 -10.149 -11.967 1.00 0.00 H new ATOM 336 N ALA A 22 -19.889 -6.338 -8.956 1.00 0.00 N ATOM 337 CA ALA A 22 -19.710 -5.769 -7.627 1.00 0.00 C ATOM 338 C ALA A 22 -19.221 -6.822 -6.636 1.00 0.00 C ATOM 339 O ALA A 22 -18.406 -6.527 -5.767 1.00 0.00 O ATOM 340 CB ALA A 22 -21.006 -5.138 -7.140 1.00 0.00 C ATOM 0 H ALA A 22 -20.833 -6.241 -9.331 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.947 -4.993 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.855 -4.718 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.306 -4.347 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.787 -5.897 -7.098 1.00 0.00 H new ATOM 346 N LEU A 23 -19.713 -8.049 -6.786 1.00 0.00 N ATOM 347 CA LEU A 23 -19.322 -9.150 -5.911 1.00 0.00 C ATOM 348 C LEU A 23 -17.848 -9.507 -6.079 1.00 0.00 C ATOM 349 O LEU A 23 -17.131 -9.661 -5.089 1.00 0.00 O ATOM 350 CB LEU A 23 -20.194 -10.379 -6.167 1.00 0.00 C ATOM 351 CG LEU A 23 -21.662 -10.218 -5.763 1.00 0.00 C ATOM 352 CD1 LEU A 23 -22.458 -11.461 -6.124 1.00 0.00 C ATOM 353 CD2 LEU A 23 -21.779 -9.919 -4.273 1.00 0.00 C ATOM 0 H LEU A 23 -20.386 -8.306 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.472 -8.818 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.148 -10.625 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -19.773 -11.226 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 23 -22.077 -9.375 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -23.498 -11.325 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -22.405 -11.627 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -22.042 -12.323 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -22.830 -9.808 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -21.344 -10.739 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -21.247 -8.996 -4.044 1.00 0.00 H new ATOM 365 N GLU A 24 -17.396 -9.638 -7.325 1.00 0.00 N ATOM 366 CA GLU A 24 -15.991 -9.938 -7.593 1.00 0.00 C ATOM 367 C GLU A 24 -15.093 -8.848 -7.019 1.00 0.00 C ATOM 368 O GLU A 24 -14.106 -9.135 -6.343 1.00 0.00 O ATOM 369 CB GLU A 24 -15.715 -10.086 -9.094 1.00 0.00 C ATOM 370 CG GLU A 24 -16.356 -11.305 -9.737 1.00 0.00 C ATOM 371 CD GLU A 24 -17.780 -11.057 -10.180 1.00 0.00 C ATOM 372 OE1 GLU A 24 -18.700 -11.180 -9.347 1.00 0.00 O ATOM 373 OE2 GLU A 24 -17.986 -10.738 -11.372 1.00 0.00 O ATOM 0 H GLU A 24 -17.977 -9.542 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 24 -15.769 -10.889 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -16.071 -9.192 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.637 -10.134 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.761 -11.610 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.340 -12.133 -9.029 1.00 0.00 H new ATOM 380 N LYS A 25 -15.449 -7.596 -7.287 1.00 0.00 N ATOM 381 CA LYS A 25 -14.691 -6.459 -6.782 1.00 0.00 C ATOM 382 C LYS A 25 -14.720 -6.418 -5.258 1.00 0.00 C ATOM 383 O LYS A 25 -13.707 -6.140 -4.620 1.00 0.00 O ATOM 384 CB LYS A 25 -15.243 -5.154 -7.359 1.00 0.00 C ATOM 385 CG LYS A 25 -14.980 -4.991 -8.845 1.00 0.00 C ATOM 386 CD LYS A 25 -15.577 -3.702 -9.377 1.00 0.00 C ATOM 387 CE LYS A 25 -15.120 -3.423 -10.799 1.00 0.00 C ATOM 388 NZ LYS A 25 -15.750 -2.193 -11.346 1.00 0.00 N ATOM 0 H LYS A 25 -16.260 -7.344 -7.852 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.655 -6.573 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.318 -5.113 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.800 -4.313 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.906 -4.998 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.401 -5.839 -9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.665 -3.765 -9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.289 -2.872 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.035 -3.316 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.368 -4.273 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.137 -1.786 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.675 -2.431 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.880 -1.500 -10.581 1.00 0.00 H new ATOM 402 N ASN A 26 -15.883 -6.709 -4.687 1.00 0.00 N ATOM 403 CA ASN A 26 -16.040 -6.782 -3.237 1.00 0.00 C ATOM 404 C ASN A 26 -15.069 -7.797 -2.641 1.00 0.00 C ATOM 405 O ASN A 26 -14.422 -7.531 -1.626 1.00 0.00 O ATOM 406 CB ASN A 26 -17.486 -7.153 -2.886 1.00 0.00 C ATOM 407 CG ASN A 26 -17.686 -7.469 -1.416 1.00 0.00 C ATOM 408 OD1 ASN A 26 -17.913 -6.576 -0.599 1.00 0.00 O ATOM 409 ND2 ASN A 26 -17.628 -8.749 -1.077 1.00 0.00 N ATOM 0 H ASN A 26 -16.738 -6.900 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.813 -5.805 -2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -18.143 -6.329 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.786 -8.016 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.774 -9.027 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -17.437 -9.456 -1.787 1.00 0.00 H new ATOM 416 N ALA A 27 -14.955 -8.949 -3.295 1.00 0.00 N ATOM 417 CA ALA A 27 -14.056 -10.000 -2.845 1.00 0.00 C ATOM 418 C ALA A 27 -12.606 -9.526 -2.879 1.00 0.00 C ATOM 419 O ALA A 27 -11.831 -9.805 -1.964 1.00 0.00 O ATOM 420 CB ALA A 27 -14.225 -11.246 -3.701 1.00 0.00 C ATOM 0 H ALA A 27 -15.477 -9.176 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.311 -10.247 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.545 -12.023 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.252 -11.602 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.999 -11.007 -4.740 1.00 0.00 H new ATOM 426 N VAL A 28 -12.251 -8.797 -3.931 1.00 0.00 N ATOM 427 CA VAL A 28 -10.903 -8.254 -4.073 1.00 0.00 C ATOM 428 C VAL A 28 -10.621 -7.225 -2.978 1.00 0.00 C ATOM 429 O VAL A 28 -9.532 -7.195 -2.405 1.00 0.00 O ATOM 430 CB VAL A 28 -10.701 -7.602 -5.460 1.00 0.00 C ATOM 431 CG1 VAL A 28 -9.306 -7.008 -5.588 1.00 0.00 C ATOM 432 CG2 VAL A 28 -10.951 -8.616 -6.566 1.00 0.00 C ATOM 0 H VAL A 28 -12.879 -8.567 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.204 -9.085 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.423 -6.792 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.192 -6.556 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.163 -6.247 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.562 -7.795 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.804 -8.140 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.255 -9.448 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.973 -8.987 -6.495 1.00 0.00 H new ATOM 442 N ILE A 29 -11.615 -6.394 -2.687 1.00 0.00 N ATOM 443 CA ILE A 29 -11.497 -5.394 -1.634 1.00 0.00 C ATOM 444 C ILE A 29 -11.307 -6.059 -0.276 1.00 0.00 C ATOM 445 O ILE A 29 -10.417 -5.684 0.489 1.00 0.00 O ATOM 446 CB ILE A 29 -12.734 -4.467 -1.594 1.00 0.00 C ATOM 447 CG1 ILE A 29 -12.846 -3.690 -2.905 1.00 0.00 C ATOM 448 CG2 ILE A 29 -12.650 -3.507 -0.413 1.00 0.00 C ATOM 449 CD1 ILE A 29 -14.071 -2.806 -2.995 1.00 0.00 C ATOM 0 H ILE A 29 -12.515 -6.394 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.620 -4.787 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.626 -5.082 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.956 -3.073 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.859 -4.397 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.530 -2.864 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.606 -4.076 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.754 -2.894 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.077 -2.289 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.969 -3.418 -2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.051 -2.073 -2.188 1.00 0.00 H new ATOM 461 N LYS A 30 -12.132 -7.060 0.012 1.00 0.00 N ATOM 462 CA LYS A 30 -12.028 -7.790 1.269 1.00 0.00 C ATOM 463 C LYS A 30 -10.678 -8.495 1.371 1.00 0.00 C ATOM 464 O LYS A 30 -10.068 -8.540 2.441 1.00 0.00 O ATOM 465 CB LYS A 30 -13.163 -8.809 1.401 1.00 0.00 C ATOM 466 CG LYS A 30 -14.550 -8.181 1.460 1.00 0.00 C ATOM 467 CD LYS A 30 -14.694 -7.235 2.646 1.00 0.00 C ATOM 468 CE LYS A 30 -14.583 -7.969 3.972 1.00 0.00 C ATOM 469 NZ LYS A 30 -14.729 -7.050 5.128 1.00 0.00 N ATOM 0 H LYS A 30 -12.877 -7.383 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.110 -7.071 2.084 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.121 -9.497 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.004 -9.401 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.742 -7.636 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.302 -8.967 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.925 -6.465 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.657 -6.728 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.350 -8.742 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.618 -8.473 4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.647 -7.590 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.982 -6.327 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.660 -6.588 5.089 1.00 0.00 H new ATOM 483 N ALA A 31 -10.218 -9.035 0.246 1.00 0.00 N ATOM 484 CA ALA A 31 -8.912 -9.680 0.181 1.00 0.00 C ATOM 485 C ALA A 31 -7.809 -8.678 0.492 1.00 0.00 C ATOM 486 O ALA A 31 -6.881 -8.979 1.238 1.00 0.00 O ATOM 487 CB ALA A 31 -8.688 -10.302 -1.191 1.00 0.00 C ATOM 0 H ALA A 31 -10.733 -9.038 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.884 -10.473 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.708 -10.778 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.459 -11.048 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.736 -9.526 -1.955 1.00 0.00 H new ATOM 493 N ALA A 32 -7.936 -7.477 -0.069 1.00 0.00 N ATOM 494 CA ALA A 32 -6.958 -6.417 0.141 1.00 0.00 C ATOM 495 C ALA A 32 -6.775 -6.124 1.628 1.00 0.00 C ATOM 496 O ALA A 32 -5.658 -6.147 2.133 1.00 0.00 O ATOM 497 CB ALA A 32 -7.370 -5.156 -0.605 1.00 0.00 C ATOM 0 H ALA A 32 -8.713 -7.215 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.001 -6.758 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.628 -4.375 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.437 -5.370 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.341 -4.819 -0.241 1.00 0.00 H new ATOM 503 N TYR A 33 -7.876 -5.878 2.332 1.00 0.00 N ATOM 504 CA TYR A 33 -7.816 -5.587 3.763 1.00 0.00 C ATOM 505 C TYR A 33 -7.178 -6.740 4.535 1.00 0.00 C ATOM 506 O TYR A 33 -6.353 -6.527 5.426 1.00 0.00 O ATOM 507 CB TYR A 33 -9.212 -5.292 4.318 1.00 0.00 C ATOM 508 CG TYR A 33 -9.728 -3.916 3.960 1.00 0.00 C ATOM 509 CD1 TYR A 33 -10.442 -3.702 2.791 1.00 0.00 C ATOM 510 CD2 TYR A 33 -9.499 -2.832 4.796 1.00 0.00 C ATOM 511 CE1 TYR A 33 -10.912 -2.443 2.462 1.00 0.00 C ATOM 512 CE2 TYR A 33 -9.966 -1.571 4.477 1.00 0.00 C ATOM 513 CZ TYR A 33 -10.672 -1.381 3.311 1.00 0.00 C ATOM 514 OH TYR A 33 -11.133 -0.125 2.989 1.00 0.00 O ATOM 0 H TYR A 33 -8.817 -5.874 1.938 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.194 -4.702 3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.909 -6.041 3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.191 -5.392 5.403 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.634 -4.531 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.946 -2.977 5.712 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.464 -2.292 1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -9.778 -0.739 5.139 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.727 0.166 2.146 1.00 0.00 H new ATOM 524 N ARG A 34 -7.538 -7.961 4.166 1.00 0.00 N ATOM 525 CA ARG A 34 -7.035 -9.142 4.855 1.00 0.00 C ATOM 526 C ARG A 34 -5.579 -9.435 4.490 1.00 0.00 C ATOM 527 O ARG A 34 -4.888 -10.148 5.216 1.00 0.00 O ATOM 528 CB ARG A 34 -7.906 -10.360 4.543 1.00 0.00 C ATOM 529 CG ARG A 34 -9.325 -10.242 5.076 1.00 0.00 C ATOM 530 CD ARG A 34 -10.134 -11.499 4.798 1.00 0.00 C ATOM 531 NE ARG A 34 -9.567 -12.676 5.457 1.00 0.00 N ATOM 532 CZ ARG A 34 -10.125 -13.885 5.439 1.00 0.00 C ATOM 533 NH1 ARG A 34 -11.286 -14.078 4.822 1.00 0.00 N ATOM 534 NH2 ARG A 34 -9.525 -14.905 6.033 1.00 0.00 N ATOM 0 H ARG A 34 -8.175 -8.160 3.395 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.079 -8.935 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.943 -10.504 3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.439 -11.249 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.297 -10.057 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.816 -9.384 4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.159 -11.352 5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.177 -11.672 3.723 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.688 -12.563 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.754 -13.298 4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.710 -15.006 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.632 -14.766 6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.956 -15.830 6.017 1.00 0.00 H new ATOM 548 N GLN A 35 -5.113 -8.890 3.374 1.00 0.00 N ATOM 549 CA GLN A 35 -3.736 -9.107 2.945 1.00 0.00 C ATOM 550 C GLN A 35 -2.838 -7.924 3.296 1.00 0.00 C ATOM 551 O GLN A 35 -1.617 -8.054 3.303 1.00 0.00 O ATOM 552 CB GLN A 35 -3.665 -9.376 1.441 1.00 0.00 C ATOM 553 CG GLN A 35 -4.191 -10.744 1.045 1.00 0.00 C ATOM 554 CD GLN A 35 -3.909 -11.075 -0.406 1.00 0.00 C ATOM 555 OE1 GLN A 35 -4.720 -10.808 -1.290 1.00 0.00 O ATOM 556 NE2 GLN A 35 -2.740 -11.645 -0.659 1.00 0.00 N ATOM 0 H GLN A 35 -5.664 -8.298 2.752 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.374 -9.983 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.236 -8.610 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.630 -9.284 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.737 -11.503 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.266 -10.781 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.096 -11.849 0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.484 -11.879 -1.618 1.00 0.00 H new ATOM 565 N ILE A 36 -3.438 -6.772 3.565 1.00 0.00 N ATOM 566 CA ILE A 36 -2.677 -5.589 3.954 1.00 0.00 C ATOM 567 C ILE A 36 -2.496 -5.542 5.465 1.00 0.00 C ATOM 568 O ILE A 36 -1.380 -5.404 5.961 1.00 0.00 O ATOM 569 CB ILE A 36 -3.356 -4.280 3.474 1.00 0.00 C ATOM 570 CG1 ILE A 36 -3.318 -4.184 1.945 1.00 0.00 C ATOM 571 CG2 ILE A 36 -2.700 -3.051 4.100 1.00 0.00 C ATOM 572 CD1 ILE A 36 -1.919 -4.118 1.367 1.00 0.00 C ATOM 0 H ILE A 36 -4.447 -6.630 3.522 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.703 -5.664 3.471 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.396 -4.307 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.834 -5.047 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.871 -3.298 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.199 -2.150 3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.784 -3.107 5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.647 -3.018 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.977 -4.052 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.405 -3.240 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.367 -5.015 1.647 1.00 0.00 H new ATOM 584 N PHE A 37 -3.598 -5.676 6.189 1.00 0.00 N ATOM 585 CA PHE A 37 -3.564 -5.578 7.641 1.00 0.00 C ATOM 586 C PHE A 37 -3.397 -6.954 8.273 1.00 0.00 C ATOM 587 O PHE A 37 -2.758 -7.093 9.319 1.00 0.00 O ATOM 588 CB PHE A 37 -4.841 -4.905 8.150 1.00 0.00 C ATOM 589 CG PHE A 37 -5.084 -3.551 7.540 1.00 0.00 C ATOM 590 CD1 PHE A 37 -4.396 -2.437 7.993 1.00 0.00 C ATOM 591 CD2 PHE A 37 -5.999 -3.395 6.511 1.00 0.00 C ATOM 592 CE1 PHE A 37 -4.619 -1.193 7.434 1.00 0.00 C ATOM 593 CE2 PHE A 37 -6.224 -2.155 5.946 1.00 0.00 C ATOM 594 CZ PHE A 37 -5.534 -1.053 6.409 1.00 0.00 C ATOM 0 H PHE A 37 -4.523 -5.852 5.797 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.706 -4.969 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.693 -5.550 7.937 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.782 -4.802 9.234 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.677 -2.542 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.543 -4.254 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.079 -0.332 7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.939 -2.048 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.709 -0.082 5.970 1.00 0.00 H new ATOM 604 N GLU A 38 -3.989 -7.965 7.631 1.00 0.00 N ATOM 605 CA GLU A 38 -3.878 -9.361 8.070 1.00 0.00 C ATOM 606 C GLU A 38 -4.396 -9.534 9.501 1.00 0.00 C ATOM 607 O GLU A 38 -3.994 -10.449 10.223 1.00 0.00 O ATOM 608 CB GLU A 38 -2.424 -9.842 7.949 1.00 0.00 C ATOM 609 CG GLU A 38 -1.861 -9.685 6.542 1.00 0.00 C ATOM 610 CD GLU A 38 -0.483 -10.295 6.376 1.00 0.00 C ATOM 611 OE1 GLU A 38 0.517 -9.633 6.729 1.00 0.00 O ATOM 612 OE2 GLU A 38 -0.396 -11.440 5.881 1.00 0.00 O ATOM 0 H GLU A 38 -4.558 -7.840 6.794 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.501 -9.975 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.802 -9.282 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.368 -10.890 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.544 -10.149 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.814 -8.625 6.293 1.00 0.00 H new ATOM 720 N TYR A 45 -14.237 1.139 13.140 1.00 0.00 N ATOM 721 CA TYR A 45 -14.239 1.804 11.835 1.00 0.00 C ATOM 722 C TYR A 45 -15.607 1.711 11.156 1.00 0.00 C ATOM 723 O TYR A 45 -16.460 0.926 11.580 1.00 0.00 O ATOM 724 CB TYR A 45 -13.186 1.153 10.935 1.00 0.00 C ATOM 725 CG TYR A 45 -13.209 -0.367 10.976 1.00 0.00 C ATOM 726 CD1 TYR A 45 -14.384 -1.086 10.778 1.00 0.00 C ATOM 727 CD2 TYR A 45 -12.051 -1.078 11.213 1.00 0.00 C ATOM 728 CE1 TYR A 45 -14.398 -2.464 10.820 1.00 0.00 C ATOM 729 CE2 TYR A 45 -12.057 -2.458 11.260 1.00 0.00 C ATOM 730 CZ TYR A 45 -13.230 -3.146 11.063 1.00 0.00 C ATOM 731 OH TYR A 45 -13.236 -4.523 11.094 1.00 0.00 O ATOM 0 HA TYR A 45 -14.010 2.858 11.993 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.343 1.483 9.908 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.198 1.502 11.235 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.304 -0.553 10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.123 -0.546 11.364 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.320 -3.004 10.663 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.140 -2.996 11.451 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.330 -4.850 11.276 1.00 0.00 H new ATOM 741 N SER A 46 -15.806 2.495 10.091 1.00 0.00 N ATOM 742 CA SER A 46 -17.022 2.385 9.291 1.00 0.00 C ATOM 743 C SER A 46 -16.995 3.257 8.028 1.00 0.00 C ATOM 744 O SER A 46 -16.671 2.773 6.942 1.00 0.00 O ATOM 745 CB SER A 46 -18.249 2.720 10.137 1.00 0.00 C ATOM 746 OG SER A 46 -18.063 3.918 10.879 1.00 0.00 O ATOM 0 H SER A 46 -15.147 3.204 9.769 1.00 0.00 H new ATOM 0 HA SER A 46 -17.079 1.349 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.120 2.824 9.490 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.456 1.897 10.821 1.00 0.00 H new ATOM 0 HG SER A 46 -18.867 4.104 11.408 1.00 0.00 H new ATOM 752 N GLN A 47 -17.311 4.542 8.179 1.00 0.00 N ATOM 753 CA GLN A 47 -17.582 5.411 7.035 1.00 0.00 C ATOM 754 C GLN A 47 -16.348 5.625 6.154 1.00 0.00 C ATOM 755 O GLN A 47 -16.471 5.831 4.945 1.00 0.00 O ATOM 756 CB GLN A 47 -18.143 6.768 7.487 1.00 0.00 C ATOM 757 CG GLN A 47 -17.105 7.742 8.022 1.00 0.00 C ATOM 758 CD GLN A 47 -16.757 7.527 9.482 1.00 0.00 C ATOM 759 OE1 GLN A 47 -16.831 6.418 10.007 1.00 0.00 O ATOM 760 NE2 GLN A 47 -16.348 8.592 10.138 1.00 0.00 N ATOM 0 H GLN A 47 -17.386 5.005 9.085 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.332 4.897 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.656 7.232 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.892 6.596 8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.197 7.654 7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.475 8.759 7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.301 9.495 9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.078 8.515 11.119 1.00 0.00 H new ATOM 769 N SER A 48 -15.167 5.577 6.754 1.00 0.00 N ATOM 770 CA SER A 48 -13.929 5.777 6.009 1.00 0.00 C ATOM 771 C SER A 48 -13.696 4.615 5.049 1.00 0.00 C ATOM 772 O SER A 48 -13.157 4.787 3.953 1.00 0.00 O ATOM 773 CB SER A 48 -12.760 5.912 6.981 1.00 0.00 C ATOM 774 OG SER A 48 -13.054 6.878 7.977 1.00 0.00 O ATOM 0 H SER A 48 -15.038 5.402 7.751 1.00 0.00 H new ATOM 0 HA SER A 48 -14.008 6.693 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.555 4.949 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.860 6.202 6.439 1.00 0.00 H new ATOM 0 HG SER A 48 -12.296 6.953 8.594 1.00 0.00 H new ATOM 780 N ILE A 49 -14.146 3.440 5.463 1.00 0.00 N ATOM 781 CA ILE A 49 -14.012 2.237 4.660 1.00 0.00 C ATOM 782 C ILE A 49 -14.909 2.327 3.437 1.00 0.00 C ATOM 783 O ILE A 49 -14.459 2.131 2.314 1.00 0.00 O ATOM 784 CB ILE A 49 -14.391 0.983 5.461 1.00 0.00 C ATOM 785 CG1 ILE A 49 -13.769 1.044 6.848 1.00 0.00 C ATOM 786 CG2 ILE A 49 -13.928 -0.277 4.733 1.00 0.00 C ATOM 787 CD1 ILE A 49 -14.245 -0.062 7.743 1.00 0.00 C ATOM 0 H ILE A 49 -14.611 3.295 6.359 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.968 2.158 4.357 1.00 0.00 H new ATOM 0 HB ILE A 49 -15.476 0.947 5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.684 0.992 6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.005 2.004 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.205 -1.156 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.403 -0.326 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.845 -0.249 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.769 0.030 8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.327 0.004 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -13.985 -1.024 7.302 1.00 0.00 H new ATOM 799 N SER A 50 -16.175 2.659 3.677 1.00 0.00 N ATOM 800 CA SER A 50 -17.168 2.764 2.616 1.00 0.00 C ATOM 801 C SER A 50 -16.725 3.761 1.545 1.00 0.00 C ATOM 802 O SER A 50 -16.961 3.553 0.350 1.00 0.00 O ATOM 803 CB SER A 50 -18.501 3.205 3.217 1.00 0.00 C ATOM 804 OG SER A 50 -18.815 2.432 4.365 1.00 0.00 O ATOM 0 H SER A 50 -16.538 2.862 4.608 1.00 0.00 H new ATOM 0 HA SER A 50 -17.279 1.788 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.453 4.260 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.292 3.101 2.475 1.00 0.00 H new ATOM 0 HG SER A 50 -19.671 2.731 4.736 1.00 0.00 H new ATOM 810 N TYR A 51 -16.077 4.836 1.984 1.00 0.00 N ATOM 811 CA TYR A 51 -15.590 5.868 1.080 1.00 0.00 C ATOM 812 C TYR A 51 -14.549 5.297 0.122 1.00 0.00 C ATOM 813 O TYR A 51 -14.723 5.342 -1.098 1.00 0.00 O ATOM 814 CB TYR A 51 -14.997 7.026 1.883 1.00 0.00 C ATOM 815 CG TYR A 51 -14.539 8.188 1.034 1.00 0.00 C ATOM 816 CD1 TYR A 51 -15.449 8.917 0.281 1.00 0.00 C ATOM 817 CD2 TYR A 51 -13.201 8.559 0.990 1.00 0.00 C ATOM 818 CE1 TYR A 51 -15.040 9.985 -0.491 1.00 0.00 C ATOM 819 CE2 TYR A 51 -12.784 9.627 0.217 1.00 0.00 C ATOM 820 CZ TYR A 51 -13.707 10.335 -0.520 1.00 0.00 C ATOM 821 OH TYR A 51 -13.302 11.405 -1.286 1.00 0.00 O ATOM 0 H TYR A 51 -15.877 5.014 2.968 1.00 0.00 H new ATOM 0 HA TYR A 51 -16.428 6.239 0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -15.742 7.381 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -14.151 6.657 2.463 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -16.494 8.644 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.476 8.005 1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -15.761 10.544 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.741 9.904 0.191 1.00 0.00 H new ATOM 0 HH TYR A 51 -12.333 11.522 -1.198 1.00 0.00 H new ATOM 831 N LEU A 52 -13.485 4.736 0.681 1.00 0.00 N ATOM 832 CA LEU A 52 -12.414 4.162 -0.123 1.00 0.00 C ATOM 833 C LEU A 52 -12.930 2.980 -0.941 1.00 0.00 C ATOM 834 O LEU A 52 -12.532 2.787 -2.092 1.00 0.00 O ATOM 835 CB LEU A 52 -11.256 3.727 0.775 1.00 0.00 C ATOM 836 CG LEU A 52 -10.589 4.858 1.560 1.00 0.00 C ATOM 837 CD1 LEU A 52 -9.482 4.312 2.445 1.00 0.00 C ATOM 838 CD2 LEU A 52 -10.042 5.913 0.612 1.00 0.00 C ATOM 0 H LEU A 52 -13.340 4.666 1.688 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.053 4.923 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.623 2.982 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.501 3.238 0.159 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.340 5.324 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.019 5.131 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.900 3.592 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.731 3.820 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.571 6.710 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.305 5.460 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.857 6.327 0.019 1.00 0.00 H new ATOM 850 N GLU A 53 -13.834 2.211 -0.338 1.00 0.00 N ATOM 851 CA GLU A 53 -14.476 1.086 -1.006 1.00 0.00 C ATOM 852 C GLU A 53 -15.125 1.531 -2.311 1.00 0.00 C ATOM 853 O GLU A 53 -14.851 0.971 -3.369 1.00 0.00 O ATOM 854 CB GLU A 53 -15.534 0.465 -0.089 1.00 0.00 C ATOM 855 CG GLU A 53 -16.300 -0.688 -0.719 1.00 0.00 C ATOM 856 CD GLU A 53 -17.505 -1.101 0.099 1.00 0.00 C ATOM 857 OE1 GLU A 53 -18.583 -0.491 -0.083 1.00 0.00 O ATOM 858 OE2 GLU A 53 -17.387 -2.029 0.924 1.00 0.00 O ATOM 0 H GLU A 53 -14.140 2.351 0.625 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.712 0.342 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.049 0.111 0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.242 1.239 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.625 -0.400 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.633 -1.543 -0.834 1.00 0.00 H new ATOM 865 N SER A 54 -15.975 2.549 -2.234 1.00 0.00 N ATOM 866 CA SER A 54 -16.707 3.015 -3.403 1.00 0.00 C ATOM 867 C SER A 54 -15.771 3.554 -4.486 1.00 0.00 C ATOM 868 O SER A 54 -16.034 3.384 -5.675 1.00 0.00 O ATOM 869 CB SER A 54 -17.739 4.073 -3.005 1.00 0.00 C ATOM 870 OG SER A 54 -17.162 5.120 -2.237 1.00 0.00 O ATOM 0 H SER A 54 -16.173 3.065 -1.377 1.00 0.00 H new ATOM 0 HA SER A 54 -17.230 2.156 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.194 4.491 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.538 3.602 -2.433 1.00 0.00 H new ATOM 0 HG SER A 54 -16.217 4.921 -2.071 1.00 0.00 H new ATOM 876 N GLN A 55 -14.670 4.179 -4.080 1.00 0.00 N ATOM 877 CA GLN A 55 -13.730 4.740 -5.042 1.00 0.00 C ATOM 878 C GLN A 55 -13.089 3.642 -5.888 1.00 0.00 C ATOM 879 O GLN A 55 -13.081 3.719 -7.116 1.00 0.00 O ATOM 880 CB GLN A 55 -12.648 5.560 -4.339 1.00 0.00 C ATOM 881 CG GLN A 55 -13.174 6.817 -3.663 1.00 0.00 C ATOM 882 CD GLN A 55 -12.064 7.713 -3.150 1.00 0.00 C ATOM 883 OE1 GLN A 55 -10.994 7.242 -2.766 1.00 0.00 O ATOM 884 NE2 GLN A 55 -12.304 9.015 -3.159 1.00 0.00 N ATOM 0 H GLN A 55 -14.409 4.309 -3.102 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.292 5.401 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.159 4.935 -3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.887 5.841 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.788 7.375 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.821 6.534 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.205 9.365 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.588 9.668 -2.840 1.00 0.00 H new ATOM 893 N VAL A 56 -12.573 2.612 -5.234 1.00 0.00 N ATOM 894 CA VAL A 56 -11.924 1.520 -5.945 1.00 0.00 C ATOM 895 C VAL A 56 -12.963 0.621 -6.625 1.00 0.00 C ATOM 896 O VAL A 56 -12.701 0.035 -7.673 1.00 0.00 O ATOM 897 CB VAL A 56 -11.015 0.691 -5.007 1.00 0.00 C ATOM 898 CG1 VAL A 56 -11.821 0.007 -3.915 1.00 0.00 C ATOM 899 CG2 VAL A 56 -10.206 -0.326 -5.798 1.00 0.00 C ATOM 0 H VAL A 56 -12.590 2.509 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.290 1.960 -6.715 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.322 1.380 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.152 -0.567 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.338 0.759 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.552 -0.663 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.574 -0.897 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.883 -1.003 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.580 0.192 -6.525 1.00 0.00 H new ATOM 909 N ARG A 57 -14.158 0.550 -6.040 1.00 0.00 N ATOM 910 CA ARG A 57 -15.252 -0.245 -6.595 1.00 0.00 C ATOM 911 C ARG A 57 -15.623 0.244 -7.997 1.00 0.00 C ATOM 912 O ARG A 57 -15.938 -0.554 -8.883 1.00 0.00 O ATOM 913 CB ARG A 57 -16.467 -0.188 -5.648 1.00 0.00 C ATOM 914 CG ARG A 57 -17.698 -0.948 -6.126 1.00 0.00 C ATOM 915 CD ARG A 57 -18.559 -0.102 -7.052 1.00 0.00 C ATOM 916 NE ARG A 57 -19.715 -0.835 -7.555 1.00 0.00 N ATOM 917 CZ ARG A 57 -19.929 -1.086 -8.843 1.00 0.00 C ATOM 918 NH1 ARG A 57 -19.043 -0.706 -9.757 1.00 0.00 N ATOM 919 NH2 ARG A 57 -21.030 -1.722 -9.218 1.00 0.00 N ATOM 0 H ARG A 57 -14.394 1.037 -5.176 1.00 0.00 H new ATOM 0 HA ARG A 57 -14.927 -1.282 -6.685 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.170 -0.584 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.741 0.856 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.387 -1.854 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.289 -1.261 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.898 0.786 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -17.956 0.242 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 57 -20.399 -1.175 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.193 -0.219 -9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.212 -0.901 -10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -21.711 -2.018 -8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -21.196 -1.915 -10.206 1.00 0.00 H new ATOM 933 N ASN A 58 -15.590 1.556 -8.193 1.00 0.00 N ATOM 934 CA ASN A 58 -15.938 2.139 -9.487 1.00 0.00 C ATOM 935 C ASN A 58 -14.710 2.290 -10.379 1.00 0.00 C ATOM 936 O ASN A 58 -14.815 2.744 -11.516 1.00 0.00 O ATOM 937 CB ASN A 58 -16.625 3.496 -9.310 1.00 0.00 C ATOM 938 CG ASN A 58 -18.016 3.375 -8.710 1.00 0.00 C ATOM 939 OD1 ASN A 58 -19.012 3.186 -9.559 1.00 0.00 O flip ATOM 940 ND2 ASN A 58 -18.195 3.445 -7.494 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.328 2.235 -7.478 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.633 1.454 -9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.011 4.129 -8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.693 3.993 -10.278 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.402 3.592 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -19.136 3.356 -7.111 1.00 0.00 H new ATOM 947 N GLY A 59 -13.550 1.898 -9.866 1.00 0.00 N ATOM 948 CA GLY A 59 -12.323 2.007 -10.633 1.00 0.00 C ATOM 949 C GLY A 59 -11.828 3.438 -10.728 1.00 0.00 C ATOM 950 O GLY A 59 -11.172 3.814 -11.700 1.00 0.00 O ATOM 0 H GLY A 59 -13.437 1.506 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.553 1.388 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.488 1.615 -11.636 1.00 0.00 H new ATOM 954 N ASP A 60 -12.146 4.234 -9.713 1.00 0.00 N ATOM 955 CA ASP A 60 -11.733 5.632 -9.672 1.00 0.00 C ATOM 956 C ASP A 60 -10.258 5.732 -9.309 1.00 0.00 C ATOM 957 O ASP A 60 -9.560 6.662 -9.720 1.00 0.00 O ATOM 958 CB ASP A 60 -12.582 6.408 -8.659 1.00 0.00 C ATOM 959 CG ASP A 60 -12.243 7.885 -8.609 1.00 0.00 C ATOM 960 OD1 ASP A 60 -12.695 8.634 -9.503 1.00 0.00 O ATOM 961 OD2 ASP A 60 -11.542 8.312 -7.669 1.00 0.00 O ATOM 0 H ASP A 60 -12.691 3.933 -8.905 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.882 6.070 -10.659 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.636 6.291 -8.912 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.442 5.975 -7.669 1.00 0.00 H new ATOM 966 N ILE A 61 -9.785 4.753 -8.549 1.00 0.00 N ATOM 967 CA ILE A 61 -8.389 4.695 -8.142 1.00 0.00 C ATOM 968 C ILE A 61 -7.817 3.303 -8.388 1.00 0.00 C ATOM 969 O ILE A 61 -8.535 2.305 -8.310 1.00 0.00 O ATOM 970 CB ILE A 61 -8.203 5.059 -6.649 1.00 0.00 C ATOM 971 CG1 ILE A 61 -9.081 4.170 -5.758 1.00 0.00 C ATOM 972 CG2 ILE A 61 -8.511 6.531 -6.414 1.00 0.00 C ATOM 973 CD1 ILE A 61 -8.900 4.425 -4.276 1.00 0.00 C ATOM 0 H ILE A 61 -10.354 3.982 -8.200 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.855 5.429 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.161 4.881 -6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.127 4.329 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.855 3.125 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.375 6.767 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.837 7.144 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.542 6.737 -6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.553 3.760 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.863 4.238 -3.999 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.154 5.461 -4.051 1.00 0.00 H new ATOM 985 N SER A 62 -6.531 3.243 -8.704 1.00 0.00 N ATOM 986 CA SER A 62 -5.847 1.970 -8.885 1.00 0.00 C ATOM 987 C SER A 62 -5.637 1.289 -7.534 1.00 0.00 C ATOM 988 O SER A 62 -5.745 1.933 -6.489 1.00 0.00 O ATOM 989 CB SER A 62 -4.501 2.199 -9.570 1.00 0.00 C ATOM 990 OG SER A 62 -4.651 2.925 -10.782 1.00 0.00 O ATOM 0 H SER A 62 -5.939 4.063 -8.841 1.00 0.00 H new ATOM 0 HA SER A 62 -6.461 1.323 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.838 2.743 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.028 1.239 -9.776 1.00 0.00 H new ATOM 0 HG SER A 62 -3.769 3.201 -11.109 1.00 0.00 H new ATOM 996 N MET A 63 -5.310 0.000 -7.550 1.00 0.00 N ATOM 997 CA MET A 63 -5.111 -0.744 -6.309 1.00 0.00 C ATOM 998 C MET A 63 -3.917 -0.203 -5.539 1.00 0.00 C ATOM 999 O MET A 63 -3.938 -0.151 -4.313 1.00 0.00 O ATOM 1000 CB MET A 63 -4.929 -2.237 -6.578 1.00 0.00 C ATOM 1001 CG MET A 63 -6.184 -2.911 -7.099 1.00 0.00 C ATOM 1002 SD MET A 63 -7.628 -2.597 -6.060 1.00 0.00 S ATOM 1003 CE MET A 63 -7.180 -3.426 -4.538 1.00 0.00 C ATOM 0 H MET A 63 -5.178 -0.548 -8.400 1.00 0.00 H new ATOM 0 HA MET A 63 -6.008 -0.613 -5.703 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.125 -2.373 -7.301 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.616 -2.729 -5.657 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.387 -2.560 -8.111 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.014 -3.986 -7.163 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.557 -2.856 -3.689 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.615 -4.425 -4.526 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.095 -3.502 -4.471 1.00 0.00 H new ATOM 1013 N LYS A 64 -2.883 0.214 -6.265 1.00 0.00 N ATOM 1014 CA LYS A 64 -1.705 0.808 -5.640 1.00 0.00 C ATOM 1015 C LYS A 64 -2.083 2.101 -4.919 1.00 0.00 C ATOM 1016 O LYS A 64 -1.515 2.435 -3.879 1.00 0.00 O ATOM 1017 CB LYS A 64 -0.607 1.070 -6.683 1.00 0.00 C ATOM 1018 CG LYS A 64 -1.026 2.000 -7.814 1.00 0.00 C ATOM 1019 CD LYS A 64 0.104 2.217 -8.812 1.00 0.00 C ATOM 1020 CE LYS A 64 1.297 2.928 -8.181 1.00 0.00 C ATOM 1021 NZ LYS A 64 1.021 4.364 -7.895 1.00 0.00 N ATOM 0 H LYS A 64 -2.837 0.152 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.312 0.104 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.261 1.497 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.292 0.117 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.891 1.581 -8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.336 2.960 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.425 1.255 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.264 2.804 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.568 2.422 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.155 2.853 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.868 4.805 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.771 4.852 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.231 4.438 -7.223 1.00 0.00 H new ATOM 1035 N GLU A 65 -3.070 2.801 -5.461 1.00 0.00 N ATOM 1036 CA GLU A 65 -3.542 4.044 -4.873 1.00 0.00 C ATOM 1037 C GLU A 65 -4.389 3.736 -3.644 1.00 0.00 C ATOM 1038 O GLU A 65 -4.283 4.403 -2.616 1.00 0.00 O ATOM 1039 CB GLU A 65 -4.365 4.835 -5.894 1.00 0.00 C ATOM 1040 CG GLU A 65 -3.709 4.938 -7.262 1.00 0.00 C ATOM 1041 CD GLU A 65 -2.373 5.646 -7.224 1.00 0.00 C ATOM 1042 OE1 GLU A 65 -1.348 4.986 -6.955 1.00 0.00 O ATOM 1043 OE2 GLU A 65 -2.342 6.868 -7.479 1.00 0.00 O ATOM 0 H GLU A 65 -3.561 2.526 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.684 4.648 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.341 4.363 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.538 5.839 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.572 3.936 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.377 5.469 -7.940 1.00 0.00 H new ATOM 1050 N PHE A 66 -5.219 2.705 -3.769 1.00 0.00 N ATOM 1051 CA PHE A 66 -6.067 2.242 -2.677 1.00 0.00 C ATOM 1052 C PHE A 66 -5.216 1.826 -1.478 1.00 0.00 C ATOM 1053 O PHE A 66 -5.517 2.181 -0.337 1.00 0.00 O ATOM 1054 CB PHE A 66 -6.931 1.072 -3.160 1.00 0.00 C ATOM 1055 CG PHE A 66 -7.894 0.545 -2.132 1.00 0.00 C ATOM 1056 CD1 PHE A 66 -8.951 1.321 -1.689 1.00 0.00 C ATOM 1057 CD2 PHE A 66 -7.742 -0.733 -1.618 1.00 0.00 C ATOM 1058 CE1 PHE A 66 -9.840 0.834 -0.750 1.00 0.00 C ATOM 1059 CE2 PHE A 66 -8.628 -1.226 -0.680 1.00 0.00 C ATOM 1060 CZ PHE A 66 -9.679 -0.441 -0.246 1.00 0.00 C ATOM 0 H PHE A 66 -5.322 2.168 -4.630 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.719 3.056 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.494 1.390 -4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.277 0.260 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.082 2.318 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.922 -1.350 -1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.660 1.450 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.499 -2.223 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 66 -10.374 -0.824 0.487 1.00 0.00 H new ATOM 1070 N VAL A 67 -4.146 1.084 -1.748 1.00 0.00 N ATOM 1071 CA VAL A 67 -3.215 0.672 -0.702 1.00 0.00 C ATOM 1072 C VAL A 67 -2.550 1.891 -0.065 1.00 0.00 C ATOM 1073 O VAL A 67 -2.437 1.978 1.159 1.00 0.00 O ATOM 1074 CB VAL A 67 -2.125 -0.279 -1.251 1.00 0.00 C ATOM 1075 CG1 VAL A 67 -1.102 -0.618 -0.176 1.00 0.00 C ATOM 1076 CG2 VAL A 67 -2.750 -1.550 -1.803 1.00 0.00 C ATOM 0 H VAL A 67 -3.902 0.756 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.793 0.136 0.051 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.610 0.237 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.348 -1.288 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.623 0.297 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.602 -1.107 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.966 -2.205 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.296 -2.061 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.436 -1.297 -2.611 1.00 0.00 H new ATOM 1086 N ARG A 68 -2.134 2.842 -0.898 1.00 0.00 N ATOM 1087 CA ARG A 68 -1.481 4.053 -0.411 1.00 0.00 C ATOM 1088 C ARG A 68 -2.431 4.857 0.476 1.00 0.00 C ATOM 1089 O ARG A 68 -2.005 5.468 1.455 1.00 0.00 O ATOM 1090 CB ARG A 68 -0.974 4.911 -1.581 1.00 0.00 C ATOM 1091 CG ARG A 68 -0.192 6.139 -1.139 1.00 0.00 C ATOM 1092 CD ARG A 68 0.596 6.756 -2.284 1.00 0.00 C ATOM 1093 NE ARG A 68 -0.258 7.330 -3.324 1.00 0.00 N ATOM 1094 CZ ARG A 68 0.207 8.078 -4.331 1.00 0.00 C ATOM 1095 NH1 ARG A 68 1.512 8.326 -4.435 1.00 0.00 N ATOM 1096 NH2 ARG A 68 -0.629 8.575 -5.232 1.00 0.00 N ATOM 0 H ARG A 68 -2.238 2.797 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.620 3.756 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.341 4.298 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.825 5.229 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.880 6.880 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.491 5.864 -0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.250 7.533 -1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.237 5.994 -2.728 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.261 7.150 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.160 7.945 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.863 8.897 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.629 8.387 -5.158 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.272 9.145 -5.999 1.00 0.00 H new ATOM 1110 N ARG A 69 -3.714 4.845 0.132 1.00 0.00 N ATOM 1111 CA ARG A 69 -4.733 5.495 0.950 1.00 0.00 C ATOM 1112 C ARG A 69 -4.841 4.832 2.318 1.00 0.00 C ATOM 1113 O ARG A 69 -4.764 5.504 3.347 1.00 0.00 O ATOM 1114 CB ARG A 69 -6.092 5.459 0.248 1.00 0.00 C ATOM 1115 CG ARG A 69 -6.272 6.519 -0.830 1.00 0.00 C ATOM 1116 CD ARG A 69 -6.493 7.903 -0.234 1.00 0.00 C ATOM 1117 NE ARG A 69 -5.264 8.501 0.291 1.00 0.00 N ATOM 1118 CZ ARG A 69 -5.171 9.103 1.479 1.00 0.00 C ATOM 1119 NH1 ARG A 69 -6.214 9.141 2.301 1.00 0.00 N ATOM 1120 NH2 ARG A 69 -4.030 9.680 1.841 1.00 0.00 N ATOM 0 H ARG A 69 -4.074 4.392 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.433 6.534 1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.229 4.475 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.876 5.581 0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.392 6.537 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.121 6.255 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.913 8.559 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.229 7.835 0.567 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.425 8.455 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.096 8.708 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.133 9.603 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.227 9.662 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.957 10.141 2.748 1.00 0.00 H new ATOM 1134 N LEU A 70 -5.006 3.511 2.324 1.00 0.00 N ATOM 1135 CA LEU A 70 -5.135 2.754 3.566 1.00 0.00 C ATOM 1136 C LEU A 70 -3.904 2.930 4.448 1.00 0.00 C ATOM 1137 O LEU A 70 -4.018 3.201 5.642 1.00 0.00 O ATOM 1138 CB LEU A 70 -5.343 1.265 3.270 1.00 0.00 C ATOM 1139 CG LEU A 70 -6.681 0.900 2.629 1.00 0.00 C ATOM 1140 CD1 LEU A 70 -6.745 -0.590 2.344 1.00 0.00 C ATOM 1141 CD2 LEU A 70 -7.834 1.315 3.525 1.00 0.00 C ATOM 0 H LEU A 70 -5.054 2.941 1.479 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.004 3.140 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.542 0.928 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.244 0.710 4.203 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.766 1.439 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.705 -0.832 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.940 -0.865 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.637 -1.144 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.778 1.047 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.751 0.804 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.802 2.393 3.684 1.00 0.00 H new ATOM 1153 N ALA A 71 -2.733 2.794 3.846 1.00 0.00 N ATOM 1154 CA ALA A 71 -1.477 2.861 4.580 1.00 0.00 C ATOM 1155 C ALA A 71 -1.183 4.268 5.105 1.00 0.00 C ATOM 1156 O ALA A 71 -0.414 4.433 6.050 1.00 0.00 O ATOM 1157 CB ALA A 71 -0.344 2.370 3.698 1.00 0.00 C ATOM 0 H ALA A 71 -2.625 2.635 2.844 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.567 2.214 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.595 2.421 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.535 1.339 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.277 2.997 2.809 1.00 0.00 H new ATOM 1163 N LYS A 72 -1.784 5.287 4.502 1.00 0.00 N ATOM 1164 CA LYS A 72 -1.597 6.650 4.988 1.00 0.00 C ATOM 1165 C LYS A 72 -2.692 7.051 5.965 1.00 0.00 C ATOM 1166 O LYS A 72 -2.650 8.142 6.541 1.00 0.00 O ATOM 1167 CB LYS A 72 -1.537 7.657 3.840 1.00 0.00 C ATOM 1168 CG LYS A 72 -0.208 7.658 3.110 1.00 0.00 C ATOM 1169 CD LYS A 72 0.051 8.988 2.429 1.00 0.00 C ATOM 1170 CE LYS A 72 1.487 9.079 1.953 1.00 0.00 C ATOM 1171 NZ LYS A 72 1.850 10.446 1.499 1.00 0.00 N ATOM 0 H LYS A 72 -2.395 5.200 3.690 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.641 6.664 5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.333 7.435 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.729 8.656 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.596 7.447 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.199 6.860 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.625 9.106 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.160 9.803 3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.154 8.779 2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.641 8.375 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.875 10.495 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.342 10.666 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.588 11.136 2.232 1.00 0.00 H new ATOM 1185 N SER A 73 -3.663 6.176 6.158 1.00 0.00 N ATOM 1186 CA SER A 73 -4.752 6.453 7.074 1.00 0.00 C ATOM 1187 C SER A 73 -4.271 6.328 8.517 1.00 0.00 C ATOM 1188 O SER A 73 -3.452 5.462 8.829 1.00 0.00 O ATOM 1189 CB SER A 73 -5.919 5.501 6.808 1.00 0.00 C ATOM 1190 OG SER A 73 -6.409 5.659 5.485 1.00 0.00 O ATOM 0 H SER A 73 -3.719 5.270 5.693 1.00 0.00 H new ATOM 0 HA SER A 73 -5.098 7.474 6.915 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.596 4.471 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.720 5.692 7.522 1.00 0.00 H new ATOM 0 HG SER A 73 -5.677 5.525 4.847 1.00 0.00 H new ATOM 1196 N PRO A 74 -4.762 7.209 9.410 1.00 0.00 N ATOM 1197 CA PRO A 74 -4.376 7.225 10.831 1.00 0.00 C ATOM 1198 C PRO A 74 -4.474 5.855 11.504 1.00 0.00 C ATOM 1199 O PRO A 74 -3.753 5.578 12.457 1.00 0.00 O ATOM 1200 CB PRO A 74 -5.381 8.195 11.455 1.00 0.00 C ATOM 1201 CG PRO A 74 -5.751 9.113 10.344 1.00 0.00 C ATOM 1202 CD PRO A 74 -5.729 8.278 9.095 1.00 0.00 C ATOM 0 HA PRO A 74 -3.332 7.514 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.253 7.668 11.842 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.941 8.740 12.290 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.738 9.546 10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.047 9.942 10.272 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.715 7.873 8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.415 8.860 8.229 1.00 0.00 H new ATOM 1210 N LEU A 75 -5.365 5.007 11.007 1.00 0.00 N ATOM 1211 CA LEU A 75 -5.515 3.653 11.526 1.00 0.00 C ATOM 1212 C LEU A 75 -4.251 2.825 11.281 1.00 0.00 C ATOM 1213 O LEU A 75 -3.730 2.186 12.195 1.00 0.00 O ATOM 1214 CB LEU A 75 -6.734 2.985 10.886 1.00 0.00 C ATOM 1215 CG LEU A 75 -6.961 1.516 11.255 1.00 0.00 C ATOM 1216 CD1 LEU A 75 -7.003 1.328 12.766 1.00 0.00 C ATOM 1217 CD2 LEU A 75 -8.248 1.018 10.620 1.00 0.00 C ATOM 0 H LEU A 75 -5.998 5.235 10.241 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.667 3.709 12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.623 3.551 11.165 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.637 3.057 9.803 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.125 0.931 10.872 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.165 0.275 12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.057 1.653 13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.817 1.921 13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.404 -0.027 10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.086 1.614 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.178 1.110 9.536 1.00 0.00 H new ATOM 1229 N TYR A 76 -3.750 2.852 10.051 1.00 0.00 N ATOM 1230 CA TYR A 76 -2.534 2.117 9.713 1.00 0.00 C ATOM 1231 C TYR A 76 -1.322 2.815 10.315 1.00 0.00 C ATOM 1232 O TYR A 76 -0.390 2.169 10.785 1.00 0.00 O ATOM 1233 CB TYR A 76 -2.375 2.004 8.191 1.00 0.00 C ATOM 1234 CG TYR A 76 -1.203 1.148 7.752 1.00 0.00 C ATOM 1235 CD1 TYR A 76 0.054 1.704 7.546 1.00 0.00 C ATOM 1236 CD2 TYR A 76 -1.358 -0.215 7.538 1.00 0.00 C ATOM 1237 CE1 TYR A 76 1.122 0.925 7.143 1.00 0.00 C ATOM 1238 CE2 TYR A 76 -0.295 -1.000 7.134 1.00 0.00 C ATOM 1239 CZ TYR A 76 0.941 -0.427 6.939 1.00 0.00 C ATOM 1240 OH TYR A 76 2.004 -1.207 6.540 1.00 0.00 O ATOM 0 H TYR A 76 -4.163 3.371 9.276 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.610 1.111 10.126 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.291 1.589 7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -2.257 3.004 7.774 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.199 2.763 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.326 -0.669 7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.093 1.372 6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.434 -2.059 6.972 1.00 0.00 H new ATOM 0 HH TYR A 76 2.100 -1.967 7.151 1.00 0.00 H new ATOM 1250 N ARG A 77 -1.366 4.140 10.310 1.00 0.00 N ATOM 1251 CA ARG A 77 -0.292 4.964 10.851 1.00 0.00 C ATOM 1252 C ARG A 77 -0.182 4.763 12.365 1.00 0.00 C ATOM 1253 O ARG A 77 0.876 4.967 12.960 1.00 0.00 O ATOM 1254 CB ARG A 77 -0.571 6.432 10.491 1.00 0.00 C ATOM 1255 CG ARG A 77 0.566 7.401 10.781 1.00 0.00 C ATOM 1256 CD ARG A 77 0.498 7.946 12.196 1.00 0.00 C ATOM 1257 NE ARG A 77 1.371 9.103 12.378 1.00 0.00 N ATOM 1258 CZ ARG A 77 1.255 9.968 13.386 1.00 0.00 C ATOM 1259 NH1 ARG A 77 0.316 9.791 14.309 1.00 0.00 N ATOM 1260 NH2 ARG A 77 2.067 11.017 13.463 1.00 0.00 N ATOM 0 H ARG A 77 -2.147 4.675 9.931 1.00 0.00 H new ATOM 0 HA ARG A 77 0.665 4.672 10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.813 6.489 9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.455 6.761 11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.520 6.896 10.632 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.529 8.228 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.529 8.227 12.428 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.781 7.164 12.900 1.00 0.00 H new ATOM 0 HE ARG A 77 2.112 9.258 11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.316 8.993 14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.228 10.453 15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.782 11.162 12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.976 11.677 14.235 1.00 0.00 H new ATOM 1274 N LYS A 78 -1.289 4.350 12.972 1.00 0.00 N ATOM 1275 CA LYS A 78 -1.333 4.045 14.397 1.00 0.00 C ATOM 1276 C LYS A 78 -0.557 2.763 14.682 1.00 0.00 C ATOM 1277 O LYS A 78 -0.056 2.546 15.790 1.00 0.00 O ATOM 1278 CB LYS A 78 -2.791 3.875 14.838 1.00 0.00 C ATOM 1279 CG LYS A 78 -2.990 3.797 16.341 1.00 0.00 C ATOM 1280 CD LYS A 78 -4.432 3.462 16.681 1.00 0.00 C ATOM 1281 CE LYS A 78 -4.728 3.698 18.149 1.00 0.00 C ATOM 1282 NZ LYS A 78 -4.718 5.145 18.490 1.00 0.00 N ATOM 0 H LYS A 78 -2.179 4.218 12.491 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.877 4.865 14.952 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.374 4.710 14.450 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.191 2.969 14.384 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.328 3.039 16.761 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.716 4.748 16.798 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.101 4.070 16.072 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.633 2.420 16.432 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.701 3.273 18.396 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.989 3.176 18.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.195 5.290 19.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.735 5.479 18.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.216 5.680 17.750 1.00 0.00 H new ATOM 1296 N GLN A 79 -0.464 1.922 13.665 1.00 0.00 N ATOM 1297 CA GLN A 79 0.203 0.640 13.775 1.00 0.00 C ATOM 1298 C GLN A 79 1.589 0.718 13.144 1.00 0.00 C ATOM 1299 O GLN A 79 1.917 1.705 12.492 1.00 0.00 O ATOM 1300 CB GLN A 79 -0.635 -0.441 13.085 1.00 0.00 C ATOM 1301 CG GLN A 79 -2.039 -0.573 13.655 1.00 0.00 C ATOM 1302 CD GLN A 79 -2.041 -1.075 15.086 1.00 0.00 C ATOM 1303 OE1 GLN A 79 -1.160 -1.839 15.490 1.00 0.00 O ATOM 1304 NE2 GLN A 79 -3.027 -0.652 15.858 1.00 0.00 N ATOM 0 H GLN A 79 -0.850 2.111 12.740 1.00 0.00 H new ATOM 0 HA GLN A 79 0.313 0.382 14.828 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.703 -0.214 12.021 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.123 -1.399 13.174 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.537 0.396 13.613 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.617 -1.256 13.033 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.734 -0.020 15.482 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.081 -0.957 16.830 1.00 0.00 H new ATOM 1313 N PHE A 80 2.397 -0.321 13.369 1.00 0.00 N ATOM 1314 CA PHE A 80 3.745 -0.436 12.790 1.00 0.00 C ATOM 1315 C PHE A 80 4.734 0.578 13.382 1.00 0.00 C ATOM 1316 O PHE A 80 5.832 0.208 13.784 1.00 0.00 O ATOM 1317 CB PHE A 80 3.703 -0.308 11.262 1.00 0.00 C ATOM 1318 CG PHE A 80 3.055 -1.476 10.571 1.00 0.00 C ATOM 1319 CD1 PHE A 80 1.675 -1.593 10.516 1.00 0.00 C ATOM 1320 CD2 PHE A 80 3.828 -2.461 9.979 1.00 0.00 C ATOM 1321 CE1 PHE A 80 1.079 -2.667 9.883 1.00 0.00 C ATOM 1322 CE2 PHE A 80 3.239 -3.537 9.344 1.00 0.00 C ATOM 1323 CZ PHE A 80 1.864 -3.641 9.297 1.00 0.00 C ATOM 0 H PHE A 80 2.137 -1.111 13.960 1.00 0.00 H new ATOM 0 HA PHE A 80 4.107 -1.430 13.052 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.165 0.602 10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.721 -0.196 10.888 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.057 -0.835 10.974 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.905 -2.387 10.014 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.002 -2.745 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.854 -4.296 8.885 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.402 -4.483 8.803 1.00 0.00 H new ATOM 1333 N PHE A 81 4.345 1.843 13.436 1.00 0.00 N ATOM 1334 CA PHE A 81 5.228 2.903 13.905 1.00 0.00 C ATOM 1335 C PHE A 81 5.295 2.952 15.433 1.00 0.00 C ATOM 1336 O PHE A 81 6.350 3.232 16.005 1.00 0.00 O ATOM 1337 CB PHE A 81 4.757 4.253 13.349 1.00 0.00 C ATOM 1338 CG PHE A 81 5.614 5.418 13.756 1.00 0.00 C ATOM 1339 CD1 PHE A 81 6.857 5.616 13.177 1.00 0.00 C ATOM 1340 CD2 PHE A 81 5.174 6.316 14.714 1.00 0.00 C ATOM 1341 CE1 PHE A 81 7.646 6.687 13.548 1.00 0.00 C ATOM 1342 CE2 PHE A 81 5.958 7.391 15.090 1.00 0.00 C ATOM 1343 CZ PHE A 81 7.195 7.576 14.505 1.00 0.00 C ATOM 0 H PHE A 81 3.417 2.163 13.159 1.00 0.00 H new ATOM 0 HA PHE A 81 6.233 2.690 13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.733 4.197 12.261 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.735 4.434 13.682 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.213 4.925 12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.207 6.175 15.173 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.614 6.830 13.091 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.604 8.084 15.839 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.810 8.415 14.795 1.00 0.00 H new ATOM 1353 N GLU A 82 4.172 2.690 16.091 1.00 0.00 N ATOM 1354 CA GLU A 82 4.113 2.775 17.546 1.00 0.00 C ATOM 1355 C GLU A 82 4.238 1.395 18.214 1.00 0.00 C ATOM 1356 O GLU A 82 5.096 1.214 19.081 1.00 0.00 O ATOM 1357 CB GLU A 82 2.835 3.488 17.995 1.00 0.00 C ATOM 1358 CG GLU A 82 2.773 3.720 19.494 1.00 0.00 C ATOM 1359 CD GLU A 82 1.564 4.528 19.910 1.00 0.00 C ATOM 1360 OE1 GLU A 82 1.604 5.768 19.785 1.00 0.00 O ATOM 1361 OE2 GLU A 82 0.568 3.925 20.371 1.00 0.00 O ATOM 0 H GLU A 82 3.296 2.419 15.645 1.00 0.00 H new ATOM 0 HA GLU A 82 4.971 3.364 17.871 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.763 4.447 17.482 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.971 2.898 17.689 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.756 2.758 20.006 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.678 4.236 19.815 1.00 0.00 H new ATOM 1368 N PRO A 83 3.389 0.399 17.851 1.00 0.00 N ATOM 1369 CA PRO A 83 3.491 -0.951 18.421 1.00 0.00 C ATOM 1370 C PRO A 83 4.831 -1.608 18.095 1.00 0.00 C ATOM 1371 O PRO A 83 5.395 -2.332 18.911 1.00 0.00 O ATOM 1372 CB PRO A 83 2.336 -1.723 17.767 1.00 0.00 C ATOM 1373 CG PRO A 83 1.967 -0.926 16.567 1.00 0.00 C ATOM 1374 CD PRO A 83 2.267 0.503 16.903 1.00 0.00 C ATOM 0 HA PRO A 83 3.432 -0.936 19.509 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.643 -2.732 17.491 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.492 -1.822 18.449 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.537 -1.248 15.696 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.912 -1.055 16.324 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.541 1.076 16.017 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.407 1.000 17.351 1.00 0.00 H new ATOM 1382 N PHE A 84 5.335 -1.339 16.900 1.00 0.00 N ATOM 1383 CA PHE A 84 6.638 -1.838 16.488 1.00 0.00 C ATOM 1384 C PHE A 84 7.622 -0.677 16.444 1.00 0.00 C ATOM 1385 O PHE A 84 7.228 0.480 16.591 1.00 0.00 O ATOM 1386 CB PHE A 84 6.566 -2.495 15.103 1.00 0.00 C ATOM 1387 CG PHE A 84 5.631 -3.667 15.007 1.00 0.00 C ATOM 1388 CD1 PHE A 84 4.285 -3.476 14.734 1.00 0.00 C ATOM 1389 CD2 PHE A 84 6.102 -4.958 15.172 1.00 0.00 C ATOM 1390 CE1 PHE A 84 3.426 -4.552 14.632 1.00 0.00 C ATOM 1391 CE2 PHE A 84 5.248 -6.038 15.072 1.00 0.00 C ATOM 1392 CZ PHE A 84 3.907 -5.835 14.802 1.00 0.00 C ATOM 0 H PHE A 84 4.859 -0.775 16.196 1.00 0.00 H new ATOM 0 HA PHE A 84 6.966 -2.589 17.207 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.259 -1.743 14.376 1.00 0.00 H new ATOM 0 HB3 PHE A 84 7.566 -2.823 14.820 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.904 -2.474 14.600 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.149 -5.122 15.381 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.379 -4.390 14.420 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.627 -7.041 15.205 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.237 -6.679 14.724 1.00 0.00 H new ATOM 1402 N ILE A 85 8.893 -0.977 16.253 1.00 0.00 N ATOM 1403 CA ILE A 85 9.881 0.070 16.054 1.00 0.00 C ATOM 1404 C ILE A 85 9.988 0.382 14.566 1.00 0.00 C ATOM 1405 O ILE A 85 9.832 -0.511 13.732 1.00 0.00 O ATOM 1406 CB ILE A 85 11.269 -0.322 16.613 1.00 0.00 C ATOM 1407 CG1 ILE A 85 11.774 -1.613 15.962 1.00 0.00 C ATOM 1408 CG2 ILE A 85 11.203 -0.475 18.128 1.00 0.00 C ATOM 1409 CD1 ILE A 85 13.172 -2.006 16.391 1.00 0.00 C ATOM 0 H ILE A 85 9.264 -1.927 16.231 1.00 0.00 H new ATOM 0 HA ILE A 85 9.551 0.952 16.602 1.00 0.00 H new ATOM 0 HB ILE A 85 11.974 0.474 16.373 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.088 -2.424 16.205 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.756 -1.494 14.879 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.186 -0.751 18.509 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.892 0.469 18.576 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.483 -1.252 18.384 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.461 -2.929 15.889 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.871 -1.214 16.123 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.192 -2.158 17.470 1.00 0.00 H new ATOM 1421 N ASN A 86 10.240 1.641 14.227 1.00 0.00 N ATOM 1422 CA ASN A 86 10.314 2.050 12.822 1.00 0.00 C ATOM 1423 C ASN A 86 11.459 1.348 12.093 1.00 0.00 C ATOM 1424 O ASN A 86 11.441 1.227 10.869 1.00 0.00 O ATOM 1425 CB ASN A 86 10.425 3.577 12.676 1.00 0.00 C ATOM 1426 CG ASN A 86 11.554 4.198 13.480 1.00 0.00 C ATOM 1427 OD1 ASN A 86 12.584 3.575 13.733 1.00 0.00 O ATOM 1428 ND2 ASN A 86 11.362 5.442 13.886 1.00 0.00 N ATOM 0 H ASN A 86 10.396 2.394 14.897 1.00 0.00 H new ATOM 0 HA ASN A 86 9.380 1.742 12.353 1.00 0.00 H new ATOM 0 HB2 ASN A 86 10.567 3.821 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.483 4.030 12.984 1.00 0.00 H new ATOM 0 HD21 ASN A 86 12.082 5.918 14.429 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.494 5.925 13.656 1.00 0.00 H new ATOM 1435 N SER A 87 12.439 0.867 12.848 1.00 0.00 N ATOM 1436 CA SER A 87 13.528 0.088 12.278 1.00 0.00 C ATOM 1437 C SER A 87 12.998 -1.262 11.778 1.00 0.00 C ATOM 1438 O SER A 87 13.506 -1.826 10.809 1.00 0.00 O ATOM 1439 CB SER A 87 14.632 -0.112 13.321 1.00 0.00 C ATOM 1440 OG SER A 87 15.775 -0.735 12.759 1.00 0.00 O ATOM 0 H SER A 87 12.501 1.003 13.857 1.00 0.00 H new ATOM 0 HA SER A 87 13.951 0.627 11.431 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.913 0.853 13.743 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.252 -0.720 14.142 1.00 0.00 H new ATOM 0 HG SER A 87 16.460 -0.846 13.451 1.00 0.00 H new ATOM 1446 N ARG A 88 11.958 -1.764 12.437 1.00 0.00 N ATOM 1447 CA ARG A 88 11.308 -2.995 12.006 1.00 0.00 C ATOM 1448 C ARG A 88 10.240 -2.678 10.967 1.00 0.00 C ATOM 1449 O ARG A 88 10.043 -3.430 10.015 1.00 0.00 O ATOM 1450 CB ARG A 88 10.669 -3.729 13.190 1.00 0.00 C ATOM 1451 CG ARG A 88 10.034 -5.057 12.807 1.00 0.00 C ATOM 1452 CD ARG A 88 11.086 -6.109 12.490 1.00 0.00 C ATOM 1453 NE ARG A 88 10.559 -7.198 11.664 1.00 0.00 N ATOM 1454 CZ ARG A 88 9.723 -8.147 12.089 1.00 0.00 C ATOM 1455 NH1 ARG A 88 9.257 -8.147 13.331 1.00 0.00 N ATOM 1456 NH2 ARG A 88 9.342 -9.103 11.254 1.00 0.00 N ATOM 0 H ARG A 88 11.549 -1.338 13.269 1.00 0.00 H new ATOM 0 HA ARG A 88 12.067 -3.644 11.569 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.429 -3.904 13.952 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.910 -3.088 13.638 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.402 -5.408 13.623 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.387 -4.916 11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.922 -5.638 11.974 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.477 -6.520 13.421 1.00 0.00 H new ATOM 0 HE ARG A 88 10.854 -7.234 10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.537 -7.412 13.981 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.619 -8.882 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.688 -9.110 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.703 -9.832 11.571 1.00 0.00 H new ATOM 1470 N ALA A 89 9.560 -1.553 11.159 1.00 0.00 N ATOM 1471 CA ALA A 89 8.528 -1.107 10.232 1.00 0.00 C ATOM 1472 C ALA A 89 9.103 -0.908 8.835 1.00 0.00 C ATOM 1473 O ALA A 89 8.426 -1.150 7.837 1.00 0.00 O ATOM 1474 CB ALA A 89 7.888 0.178 10.730 1.00 0.00 C ATOM 0 H ALA A 89 9.707 -0.930 11.953 1.00 0.00 H new ATOM 0 HA ALA A 89 7.762 -1.880 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.119 0.498 10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.436 0.005 11.707 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.648 0.954 10.814 1.00 0.00 H new ATOM 1480 N LEU A 90 10.359 -0.475 8.778 1.00 0.00 N ATOM 1481 CA LEU A 90 11.064 -0.315 7.511 1.00 0.00 C ATOM 1482 C LEU A 90 11.138 -1.653 6.780 1.00 0.00 C ATOM 1483 O LEU A 90 10.831 -1.744 5.589 1.00 0.00 O ATOM 1484 CB LEU A 90 12.475 0.231 7.759 1.00 0.00 C ATOM 1485 CG LEU A 90 13.250 0.633 6.501 1.00 0.00 C ATOM 1486 CD1 LEU A 90 12.606 1.841 5.842 1.00 0.00 C ATOM 1487 CD2 LEU A 90 14.701 0.922 6.846 1.00 0.00 C ATOM 0 H LEU A 90 10.911 -0.228 9.599 1.00 0.00 H new ATOM 0 HA LEU A 90 10.517 0.395 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.401 1.099 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.050 -0.524 8.295 1.00 0.00 H new ATOM 0 HG LEU A 90 13.221 -0.197 5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.170 2.113 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.580 1.600 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.605 2.679 6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.240 1.207 5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.748 1.737 7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.158 0.030 7.275 1.00 0.00 H new ATOM 1499 N GLU A 91 11.531 -2.693 7.512 1.00 0.00 N ATOM 1500 CA GLU A 91 11.592 -4.044 6.967 1.00 0.00 C ATOM 1501 C GLU A 91 10.206 -4.497 6.523 1.00 0.00 C ATOM 1502 O GLU A 91 10.025 -4.989 5.407 1.00 0.00 O ATOM 1503 CB GLU A 91 12.131 -5.018 8.018 1.00 0.00 C ATOM 1504 CG GLU A 91 12.172 -6.465 7.544 1.00 0.00 C ATOM 1505 CD GLU A 91 12.323 -7.451 8.684 1.00 0.00 C ATOM 1506 OE1 GLU A 91 13.472 -7.752 9.069 1.00 0.00 O ATOM 1507 OE2 GLU A 91 11.291 -7.936 9.195 1.00 0.00 O ATOM 0 H GLU A 91 11.813 -2.623 8.490 1.00 0.00 H new ATOM 0 HA GLU A 91 12.262 -4.036 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.136 -4.710 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.511 -4.955 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.258 -6.689 6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.001 -6.591 6.848 1.00 0.00 H new ATOM 1514 N LEU A 92 9.234 -4.311 7.409 1.00 0.00 N ATOM 1515 CA LEU A 92 7.867 -4.741 7.157 1.00 0.00 C ATOM 1516 C LEU A 92 7.298 -4.067 5.915 1.00 0.00 C ATOM 1517 O LEU A 92 6.679 -4.720 5.080 1.00 0.00 O ATOM 1518 CB LEU A 92 6.988 -4.446 8.374 1.00 0.00 C ATOM 1519 CG LEU A 92 7.385 -5.190 9.651 1.00 0.00 C ATOM 1520 CD1 LEU A 92 6.505 -4.762 10.815 1.00 0.00 C ATOM 1521 CD2 LEU A 92 7.293 -6.694 9.440 1.00 0.00 C ATOM 0 H LEU A 92 9.371 -3.862 8.314 1.00 0.00 H new ATOM 0 HA LEU A 92 7.877 -5.816 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.015 -3.374 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.957 -4.699 8.129 1.00 0.00 H new ATOM 0 HG LEU A 92 8.418 -4.936 9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.803 -5.302 11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.617 -3.691 10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.463 -4.986 10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.579 -7.208 10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.270 -6.963 9.177 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.965 -6.990 8.634 1.00 0.00 H new ATOM 1533 N ALA A 93 7.524 -2.766 5.786 1.00 0.00 N ATOM 1534 CA ALA A 93 7.039 -2.023 4.632 1.00 0.00 C ATOM 1535 C ALA A 93 7.678 -2.530 3.344 1.00 0.00 C ATOM 1536 O ALA A 93 6.985 -2.814 2.368 1.00 0.00 O ATOM 1537 CB ALA A 93 7.307 -0.537 4.805 1.00 0.00 C ATOM 0 H ALA A 93 8.039 -2.205 6.465 1.00 0.00 H new ATOM 0 HA ALA A 93 5.963 -2.179 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.938 0.003 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.796 -0.177 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.379 -0.370 4.908 1.00 0.00 H new ATOM 1543 N PHE A 94 8.999 -2.665 3.356 1.00 0.00 N ATOM 1544 CA PHE A 94 9.732 -3.114 2.178 1.00 0.00 C ATOM 1545 C PHE A 94 9.359 -4.537 1.786 1.00 0.00 C ATOM 1546 O PHE A 94 9.319 -4.869 0.603 1.00 0.00 O ATOM 1547 CB PHE A 94 11.236 -3.019 2.412 1.00 0.00 C ATOM 1548 CG PHE A 94 11.827 -1.715 1.975 1.00 0.00 C ATOM 1549 CD1 PHE A 94 11.779 -0.604 2.797 1.00 0.00 C ATOM 1550 CD2 PHE A 94 12.433 -1.605 0.734 1.00 0.00 C ATOM 1551 CE1 PHE A 94 12.326 0.595 2.391 1.00 0.00 C ATOM 1552 CE2 PHE A 94 12.981 -0.409 0.324 1.00 0.00 C ATOM 1553 CZ PHE A 94 12.927 0.691 1.153 1.00 0.00 C ATOM 0 H PHE A 94 9.584 -2.470 4.168 1.00 0.00 H new ATOM 0 HA PHE A 94 9.453 -2.455 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 94 11.441 -3.164 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 94 11.731 -3.830 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.309 -0.676 3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 94 12.476 -2.465 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.284 1.457 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.452 -0.334 -0.645 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.356 1.629 0.833 1.00 0.00 H new ATOM 1563 N ARG A 95 9.084 -5.381 2.765 1.00 0.00 N ATOM 1564 CA ARG A 95 8.757 -6.767 2.476 1.00 0.00 C ATOM 1565 C ARG A 95 7.277 -6.923 2.119 1.00 0.00 C ATOM 1566 O ARG A 95 6.915 -7.807 1.352 1.00 0.00 O ATOM 1567 CB ARG A 95 9.118 -7.671 3.656 1.00 0.00 C ATOM 1568 CG ARG A 95 9.111 -9.149 3.302 1.00 0.00 C ATOM 1569 CD ARG A 95 9.575 -10.008 4.465 1.00 0.00 C ATOM 1570 NE ARG A 95 9.705 -11.415 4.084 1.00 0.00 N ATOM 1571 CZ ARG A 95 9.613 -12.431 4.938 1.00 0.00 C ATOM 1572 NH1 ARG A 95 9.412 -12.203 6.231 1.00 0.00 N ATOM 1573 NH2 ARG A 95 9.741 -13.679 4.496 1.00 0.00 N ATOM 0 H ARG A 95 9.080 -5.136 3.755 1.00 0.00 H new ATOM 0 HA ARG A 95 9.349 -7.072 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.106 -7.397 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.413 -7.495 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.105 -9.448 3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.759 -9.320 2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.534 -9.640 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.866 -9.918 5.288 1.00 0.00 H new ATOM 0 HE ARG A 95 9.877 -11.630 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.327 -11.246 6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.342 -12.985 6.882 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.909 -13.854 3.505 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.671 -14.461 5.148 1.00 0.00 H new ATOM 1587 N HIS A 96 6.426 -6.063 2.665 1.00 0.00 N ATOM 1588 CA HIS A 96 4.987 -6.172 2.430 1.00 0.00 C ATOM 1589 C HIS A 96 4.577 -5.426 1.157 1.00 0.00 C ATOM 1590 O HIS A 96 3.795 -5.939 0.358 1.00 0.00 O ATOM 1591 CB HIS A 96 4.202 -5.630 3.634 1.00 0.00 C ATOM 1592 CG HIS A 96 2.774 -6.089 3.699 1.00 0.00 C ATOM 1593 ND1 HIS A 96 2.236 -6.709 4.806 1.00 0.00 N ATOM 1594 CD2 HIS A 96 1.766 -6.001 2.798 1.00 0.00 C ATOM 1595 CE1 HIS A 96 0.968 -6.987 4.579 1.00 0.00 C ATOM 1596 NE2 HIS A 96 0.656 -6.567 3.370 1.00 0.00 N ATOM 0 H HIS A 96 6.701 -5.288 3.269 1.00 0.00 H new ATOM 0 HA HIS A 96 4.750 -7.228 2.299 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.710 -5.932 4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 96 4.220 -4.541 3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.826 -5.565 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.297 -7.477 5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.261 -6.649 2.931 1.00 0.00 H new ATOM 1605 N ILE A 97 5.100 -4.218 0.981 1.00 0.00 N ATOM 1606 CA ILE A 97 4.752 -3.391 -0.171 1.00 0.00 C ATOM 1607 C ILE A 97 5.585 -3.772 -1.387 1.00 0.00 C ATOM 1608 O ILE A 97 5.049 -4.070 -2.450 1.00 0.00 O ATOM 1609 CB ILE A 97 4.962 -1.887 0.129 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.051 -1.439 1.277 1.00 0.00 C ATOM 1611 CG2 ILE A 97 4.705 -1.048 -1.120 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.265 0.001 1.699 1.00 0.00 C ATOM 0 H ILE A 97 5.767 -3.788 1.621 1.00 0.00 H new ATOM 0 HA ILE A 97 3.697 -3.568 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 97 5.998 -1.737 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.012 -1.569 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.218 -2.089 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.858 0.006 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.394 -1.350 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.679 -1.200 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.585 0.246 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.294 0.133 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.069 0.661 0.854 1.00 0.00 H new ATOM 1624 N LEU A 98 6.899 -3.765 -1.213 1.00 0.00 N ATOM 1625 CA LEU A 98 7.819 -4.033 -2.311 1.00 0.00 C ATOM 1626 C LEU A 98 7.932 -5.543 -2.537 1.00 0.00 C ATOM 1627 O LEU A 98 8.347 -5.999 -3.601 1.00 0.00 O ATOM 1628 CB LEU A 98 9.190 -3.407 -1.996 1.00 0.00 C ATOM 1629 CG LEU A 98 10.022 -2.939 -3.199 1.00 0.00 C ATOM 1630 CD1 LEU A 98 10.664 -4.109 -3.925 1.00 0.00 C ATOM 1631 CD2 LEU A 98 9.156 -2.138 -4.158 1.00 0.00 C ATOM 0 H LEU A 98 7.354 -3.576 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 98 7.442 -3.584 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.032 -2.553 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.778 -4.136 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 98 10.822 -2.302 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.244 -3.739 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.321 -4.645 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.888 -4.784 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.758 -1.812 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.335 -2.761 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.753 -1.266 -3.643 1.00 0.00 H new ATOM 1643 N GLY A 99 7.549 -6.311 -1.527 1.00 0.00 N ATOM 1644 CA GLY A 99 7.556 -7.758 -1.645 1.00 0.00 C ATOM 1645 C GLY A 99 8.953 -8.343 -1.572 1.00 0.00 C ATOM 1646 O GLY A 99 9.165 -9.510 -1.913 1.00 0.00 O ATOM 0 H GLY A 99 7.232 -5.958 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.945 -8.186 -0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.096 -8.044 -2.591 1.00 0.00 H new ATOM 1650 N ARG A 100 9.905 -7.542 -1.114 1.00 0.00 N ATOM 1651 CA ARG A 100 11.292 -7.976 -1.045 1.00 0.00 C ATOM 1652 C ARG A 100 11.898 -7.652 0.317 1.00 0.00 C ATOM 1653 O ARG A 100 11.999 -8.515 1.188 1.00 0.00 O ATOM 1654 CB ARG A 100 12.110 -7.302 -2.151 1.00 0.00 C ATOM 1655 CG ARG A 100 13.539 -7.815 -2.255 1.00 0.00 C ATOM 1656 CD ARG A 100 14.387 -6.921 -3.145 1.00 0.00 C ATOM 1657 NE ARG A 100 14.578 -5.594 -2.561 1.00 0.00 N ATOM 1658 CZ ARG A 100 14.503 -4.454 -3.248 1.00 0.00 C ATOM 1659 NH1 ARG A 100 14.181 -4.461 -4.536 1.00 0.00 N ATOM 1660 NH2 ARG A 100 14.734 -3.301 -2.638 1.00 0.00 N ATOM 0 H ARG A 100 9.742 -6.590 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 100 11.317 -9.057 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.608 -7.455 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.132 -6.227 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.982 -7.866 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.535 -8.829 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.358 -7.388 -3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.911 -6.823 -4.121 1.00 0.00 H new ATOM 0 HE ARG A 100 14.782 -5.537 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.988 -5.344 -5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.126 -3.583 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.968 -3.287 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 100 14.677 -2.427 -3.161 1.00 0.00 H new ATOM 1674 N GLY A 101 12.271 -6.394 0.499 1.00 0.00 N ATOM 1675 CA GLY A 101 12.965 -5.978 1.698 1.00 0.00 C ATOM 1676 C GLY A 101 14.117 -5.051 1.364 1.00 0.00 C ATOM 1677 O GLY A 101 14.424 -4.858 0.184 1.00 0.00 O ATOM 0 H GLY A 101 12.102 -5.645 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.270 -5.473 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.340 -6.854 2.228 1.00 0.00 H new ATOM 1681 N PRO A 102 14.762 -4.446 2.370 1.00 0.00 N ATOM 1682 CA PRO A 102 15.913 -3.566 2.152 1.00 0.00 C ATOM 1683 C PRO A 102 17.109 -4.328 1.587 1.00 0.00 C ATOM 1684 O PRO A 102 17.631 -5.248 2.222 1.00 0.00 O ATOM 1685 CB PRO A 102 16.233 -3.020 3.549 1.00 0.00 C ATOM 1686 CG PRO A 102 15.023 -3.312 4.373 1.00 0.00 C ATOM 1687 CD PRO A 102 14.424 -4.560 3.793 1.00 0.00 C ATOM 0 HA PRO A 102 15.695 -2.783 1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.118 -3.501 3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.437 -1.950 3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.289 -3.456 5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.315 -2.484 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.849 -5.459 4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.346 -4.604 3.951 1.00 0.00 H new ATOM 1695 N SER A 103 17.529 -3.945 0.392 1.00 0.00 N ATOM 1696 CA SER A 103 18.618 -4.625 -0.292 1.00 0.00 C ATOM 1697 C SER A 103 19.960 -3.963 0.020 1.00 0.00 C ATOM 1698 O SER A 103 20.892 -4.615 0.489 1.00 0.00 O ATOM 1699 CB SER A 103 18.359 -4.630 -1.801 1.00 0.00 C ATOM 1700 OG SER A 103 18.086 -3.321 -2.280 1.00 0.00 O ATOM 0 H SER A 103 17.130 -3.163 -0.127 1.00 0.00 H new ATOM 0 HA SER A 103 18.664 -5.654 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 103 19.227 -5.036 -2.320 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.517 -5.285 -2.026 1.00 0.00 H new ATOM 0 HG SER A 103 17.213 -3.026 -1.947 1.00 0.00 H new ATOM 1706 N SER A 104 20.043 -2.662 -0.216 1.00 0.00 N ATOM 1707 CA SER A 104 21.288 -1.930 -0.022 1.00 0.00 C ATOM 1708 C SER A 104 21.262 -1.168 1.297 1.00 0.00 C ATOM 1709 O SER A 104 20.194 -0.783 1.772 1.00 0.00 O ATOM 1710 CB SER A 104 21.504 -0.954 -1.182 1.00 0.00 C ATOM 1711 OG SER A 104 21.534 -1.633 -2.426 1.00 0.00 O ATOM 0 H SER A 104 19.264 -2.091 -0.542 1.00 0.00 H new ATOM 0 HA SER A 104 22.110 -2.645 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.706 -0.212 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 104 22.440 -0.414 -1.037 1.00 0.00 H new ATOM 0 HG SER A 104 21.671 -0.986 -3.149 1.00 0.00 H new ATOM 1717 N ARG A 105 22.433 -0.949 1.886 1.00 0.00 N ATOM 1718 CA ARG A 105 22.526 -0.168 3.112 1.00 0.00 C ATOM 1719 C ARG A 105 22.073 1.265 2.848 1.00 0.00 C ATOM 1720 O ARG A 105 21.434 1.895 3.693 1.00 0.00 O ATOM 1721 CB ARG A 105 23.955 -0.175 3.656 1.00 0.00 C ATOM 1722 CG ARG A 105 24.114 0.616 4.944 1.00 0.00 C ATOM 1723 CD ARG A 105 25.567 0.691 5.380 1.00 0.00 C ATOM 1724 NE ARG A 105 26.102 -0.612 5.769 1.00 0.00 N ATOM 1725 CZ ARG A 105 27.338 -1.020 5.475 1.00 0.00 C ATOM 1726 NH1 ARG A 105 28.108 -0.291 4.683 1.00 0.00 N ATOM 1727 NH2 ARG A 105 27.792 -2.173 5.940 1.00 0.00 N ATOM 0 H ARG A 105 23.325 -1.299 1.536 1.00 0.00 H new ATOM 0 HA ARG A 105 21.875 -0.620 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 105 24.264 -1.205 3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 105 24.625 0.236 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 105 23.724 1.624 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 105 23.521 0.152 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 105 26.167 1.098 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 105 25.656 1.382 6.218 1.00 0.00 H new ATOM 0 HE ARG A 105 25.498 -1.244 6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 105 27.757 0.585 4.296 1.00 0.00 H new ATOM 0 HH12 ARG A 105 29.052 -0.605 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 105 27.196 -2.756 6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 105 28.738 -2.478 5.711 1.00 0.00 H new ATOM 1741 N GLU A 106 22.402 1.762 1.658 1.00 0.00 N ATOM 1742 CA GLU A 106 21.963 3.081 1.216 1.00 0.00 C ATOM 1743 C GLU A 106 20.446 3.136 1.207 1.00 0.00 C ATOM 1744 O GLU A 106 19.845 4.094 1.680 1.00 0.00 O ATOM 1745 CB GLU A 106 22.480 3.388 -0.198 1.00 0.00 C ATOM 1746 CG GLU A 106 23.997 3.457 -0.324 1.00 0.00 C ATOM 1747 CD GLU A 106 24.682 2.130 -0.067 1.00 0.00 C ATOM 1748 OE1 GLU A 106 24.105 1.075 -0.406 1.00 0.00 O ATOM 1749 OE2 GLU A 106 25.806 2.139 0.470 1.00 0.00 O ATOM 0 H GLU A 106 22.977 1.265 0.978 1.00 0.00 H new ATOM 0 HA GLU A 106 22.364 3.822 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.108 2.623 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.059 4.339 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 106 24.256 3.804 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.379 4.197 0.379 1.00 0.00 H new ATOM 1756 N GLU A 107 19.850 2.076 0.680 1.00 0.00 N ATOM 1757 CA GLU A 107 18.404 1.951 0.583 1.00 0.00 C ATOM 1758 C GLU A 107 17.774 1.987 1.972 1.00 0.00 C ATOM 1759 O GLU A 107 16.741 2.624 2.182 1.00 0.00 O ATOM 1760 CB GLU A 107 18.063 0.646 -0.141 1.00 0.00 C ATOM 1761 CG GLU A 107 16.585 0.434 -0.405 1.00 0.00 C ATOM 1762 CD GLU A 107 16.344 -0.763 -1.298 1.00 0.00 C ATOM 1763 OE1 GLU A 107 16.283 -1.900 -0.778 1.00 0.00 O ATOM 1764 OE2 GLU A 107 16.248 -0.578 -2.531 1.00 0.00 O ATOM 0 H GLU A 107 20.359 1.275 0.306 1.00 0.00 H new ATOM 0 HA GLU A 107 18.000 2.789 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.595 0.625 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.436 -0.190 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.062 0.294 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.167 1.326 -0.871 1.00 0.00 H new ATOM 1771 N VAL A 108 18.422 1.314 2.919 1.00 0.00 N ATOM 1772 CA VAL A 108 17.973 1.307 4.305 1.00 0.00 C ATOM 1773 C VAL A 108 17.950 2.724 4.875 1.00 0.00 C ATOM 1774 O VAL A 108 16.898 3.224 5.266 1.00 0.00 O ATOM 1775 CB VAL A 108 18.878 0.425 5.194 1.00 0.00 C ATOM 1776 CG1 VAL A 108 18.402 0.447 6.640 1.00 0.00 C ATOM 1777 CG2 VAL A 108 18.925 -1.002 4.671 1.00 0.00 C ATOM 0 H VAL A 108 19.264 0.764 2.749 1.00 0.00 H new ATOM 0 HA VAL A 108 16.965 0.892 4.308 1.00 0.00 H new ATOM 0 HB VAL A 108 19.887 0.836 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 108 19.054 -0.181 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 108 18.429 1.470 7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 108 17.381 0.068 6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 108 19.568 -1.604 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.919 -1.422 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 108 19.321 -1.005 3.656 1.00 0.00 H new ATOM 1787 N GLN A 109 19.111 3.374 4.893 1.00 0.00 N ATOM 1788 CA GLN A 109 19.247 4.697 5.507 1.00 0.00 C ATOM 1789 C GLN A 109 18.465 5.761 4.739 1.00 0.00 C ATOM 1790 O GLN A 109 18.008 6.748 5.322 1.00 0.00 O ATOM 1791 CB GLN A 109 20.725 5.089 5.605 1.00 0.00 C ATOM 1792 CG GLN A 109 21.517 4.218 6.566 1.00 0.00 C ATOM 1793 CD GLN A 109 22.966 4.647 6.702 1.00 0.00 C ATOM 1794 OE1 GLN A 109 23.576 5.156 5.760 1.00 0.00 O ATOM 1795 NE2 GLN A 109 23.521 4.462 7.888 1.00 0.00 N ATOM 0 H GLN A 109 19.973 3.008 4.490 1.00 0.00 H new ATOM 0 HA GLN A 109 18.826 4.639 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.176 5.028 4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.797 6.129 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.043 4.245 7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.481 3.184 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 109 22.982 4.037 8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 109 24.488 4.744 8.048 1.00 0.00 H new ATOM 1804 N LYS A 110 18.314 5.556 3.436 1.00 0.00 N ATOM 1805 CA LYS A 110 17.547 6.468 2.595 1.00 0.00 C ATOM 1806 C LYS A 110 16.098 6.533 3.063 1.00 0.00 C ATOM 1807 O LYS A 110 15.594 7.593 3.431 1.00 0.00 O ATOM 1808 CB LYS A 110 17.598 6.005 1.134 1.00 0.00 C ATOM 1809 CG LYS A 110 16.834 6.898 0.170 1.00 0.00 C ATOM 1810 CD LYS A 110 16.776 6.281 -1.219 1.00 0.00 C ATOM 1811 CE LYS A 110 16.014 7.163 -2.198 1.00 0.00 C ATOM 1812 NZ LYS A 110 16.777 8.386 -2.562 1.00 0.00 N ATOM 0 H LYS A 110 18.715 4.762 2.936 1.00 0.00 H new ATOM 0 HA LYS A 110 17.987 7.462 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.640 5.954 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 110 17.196 4.994 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 110 15.822 7.059 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.313 7.876 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 110 17.789 6.120 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 110 16.298 5.303 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 110 15.791 6.593 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 110 15.059 7.450 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 16.243 8.931 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 16.924 8.969 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 17.699 8.115 -2.959 1.00 0.00 H new ATOM 1826 N TYR A 111 15.445 5.382 3.077 1.00 0.00 N ATOM 1827 CA TYR A 111 14.034 5.312 3.417 1.00 0.00 C ATOM 1828 C TYR A 111 13.813 5.411 4.924 1.00 0.00 C ATOM 1829 O TYR A 111 12.746 5.834 5.374 1.00 0.00 O ATOM 1830 CB TYR A 111 13.420 4.033 2.853 1.00 0.00 C ATOM 1831 CG TYR A 111 13.284 4.052 1.345 1.00 0.00 C ATOM 1832 CD1 TYR A 111 14.342 3.686 0.524 1.00 0.00 C ATOM 1833 CD2 TYR A 111 12.094 4.443 0.744 1.00 0.00 C ATOM 1834 CE1 TYR A 111 14.219 3.708 -0.852 1.00 0.00 C ATOM 1835 CE2 TYR A 111 11.965 4.469 -0.630 1.00 0.00 C ATOM 1836 CZ TYR A 111 13.029 4.101 -1.422 1.00 0.00 C ATOM 1837 OH TYR A 111 12.901 4.129 -2.791 1.00 0.00 O ATOM 0 H TYR A 111 15.871 4.482 2.856 1.00 0.00 H new ATOM 0 HA TYR A 111 13.533 6.168 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.036 3.182 3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.437 3.883 3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.277 3.379 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.256 4.731 1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 111 15.051 3.419 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.033 4.777 -1.082 1.00 0.00 H new ATOM 0 HH TYR A 111 11.999 4.428 -3.029 1.00 0.00 H new ATOM 1847 N PHE A 112 14.822 5.040 5.704 1.00 0.00 N ATOM 1848 CA PHE A 112 14.756 5.195 7.151 1.00 0.00 C ATOM 1849 C PHE A 112 14.689 6.674 7.507 1.00 0.00 C ATOM 1850 O PHE A 112 14.001 7.073 8.447 1.00 0.00 O ATOM 1851 CB PHE A 112 15.965 4.545 7.829 1.00 0.00 C ATOM 1852 CG PHE A 112 15.878 4.528 9.330 1.00 0.00 C ATOM 1853 CD1 PHE A 112 15.137 3.553 9.980 1.00 0.00 C ATOM 1854 CD2 PHE A 112 16.531 5.487 10.088 1.00 0.00 C ATOM 1855 CE1 PHE A 112 15.050 3.535 11.358 1.00 0.00 C ATOM 1856 CE2 PHE A 112 16.447 5.474 11.467 1.00 0.00 C ATOM 1857 CZ PHE A 112 15.706 4.496 12.103 1.00 0.00 C ATOM 0 H PHE A 112 15.691 4.632 5.360 1.00 0.00 H new ATOM 0 HA PHE A 112 13.857 4.695 7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 112 16.066 3.522 7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 112 16.868 5.079 7.532 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.622 2.799 9.402 1.00 0.00 H new ATOM 0 HD2 PHE A 112 17.112 6.253 9.595 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.470 2.770 11.853 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.960 6.227 12.047 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.640 4.483 13.181 1.00 0.00 H new ATOM 1867 N SER A 113 15.399 7.490 6.741 1.00 0.00 N ATOM 1868 CA SER A 113 15.360 8.927 6.933 1.00 0.00 C ATOM 1869 C SER A 113 13.962 9.452 6.617 1.00 0.00 C ATOM 1870 O SER A 113 13.441 10.328 7.308 1.00 0.00 O ATOM 1871 CB SER A 113 16.393 9.611 6.039 1.00 0.00 C ATOM 1872 OG SER A 113 16.478 10.999 6.320 1.00 0.00 O ATOM 0 H SER A 113 16.007 7.179 5.983 1.00 0.00 H new ATOM 0 HA SER A 113 15.599 9.151 7.973 1.00 0.00 H new ATOM 0 HB2 SER A 113 17.368 9.147 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.125 9.465 4.993 1.00 0.00 H new ATOM 0 HG SER A 113 17.147 11.411 5.735 1.00 0.00 H new ATOM 1878 N ILE A 114 13.354 8.886 5.581 1.00 0.00 N ATOM 1879 CA ILE A 114 12.021 9.283 5.152 1.00 0.00 C ATOM 1880 C ILE A 114 10.992 9.039 6.256 1.00 0.00 C ATOM 1881 O ILE A 114 10.228 9.937 6.612 1.00 0.00 O ATOM 1882 CB ILE A 114 11.597 8.520 3.877 1.00 0.00 C ATOM 1883 CG1 ILE A 114 12.624 8.739 2.762 1.00 0.00 C ATOM 1884 CG2 ILE A 114 10.213 8.961 3.422 1.00 0.00 C ATOM 1885 CD1 ILE A 114 12.325 7.969 1.492 1.00 0.00 C ATOM 0 H ILE A 114 13.769 8.143 5.018 1.00 0.00 H new ATOM 0 HA ILE A 114 12.057 10.350 4.931 1.00 0.00 H new ATOM 0 HB ILE A 114 11.556 7.456 4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 114 12.670 9.803 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.609 8.450 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.933 8.412 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.489 8.758 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.224 10.029 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.097 8.176 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.308 6.901 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.355 8.275 1.101 1.00 0.00 H new ATOM 1897 N VAL A 115 11.000 7.829 6.817 1.00 0.00 N ATOM 1898 CA VAL A 115 10.046 7.463 7.862 1.00 0.00 C ATOM 1899 C VAL A 115 10.316 8.245 9.156 1.00 0.00 C ATOM 1900 O VAL A 115 9.424 8.430 9.983 1.00 0.00 O ATOM 1901 CB VAL A 115 10.056 5.933 8.138 1.00 0.00 C ATOM 1902 CG1 VAL A 115 11.375 5.485 8.745 1.00 0.00 C ATOM 1903 CG2 VAL A 115 8.892 5.531 9.032 1.00 0.00 C ATOM 0 H VAL A 115 11.655 7.089 6.565 1.00 0.00 H new ATOM 0 HA VAL A 115 9.053 7.730 7.499 1.00 0.00 H new ATOM 0 HB VAL A 115 9.941 5.429 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.346 4.410 8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 115 12.189 5.717 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.537 6.006 9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.923 4.456 9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.965 6.057 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.952 5.791 8.545 1.00 0.00 H new ATOM 1913 N SER A 116 11.544 8.725 9.317 1.00 0.00 N ATOM 1914 CA SER A 116 11.897 9.534 10.475 1.00 0.00 C ATOM 1915 C SER A 116 11.411 10.972 10.281 1.00 0.00 C ATOM 1916 O SER A 116 11.151 11.691 11.248 1.00 0.00 O ATOM 1917 CB SER A 116 13.417 9.503 10.697 1.00 0.00 C ATOM 1918 OG SER A 116 13.793 10.213 11.867 1.00 0.00 O ATOM 0 H SER A 116 12.309 8.568 8.661 1.00 0.00 H new ATOM 0 HA SER A 116 11.410 9.121 11.358 1.00 0.00 H new ATOM 0 HB2 SER A 116 13.752 8.469 10.776 1.00 0.00 H new ATOM 0 HB3 SER A 116 13.920 9.936 9.832 1.00 0.00 H new ATOM 0 HG SER A 116 14.766 10.171 11.977 1.00 0.00 H new ATOM 1924 N SER A 117 11.259 11.373 9.026 1.00 0.00 N ATOM 1925 CA SER A 117 10.875 12.737 8.699 1.00 0.00 C ATOM 1926 C SER A 117 9.360 12.873 8.545 1.00 0.00 C ATOM 1927 O SER A 117 8.717 13.620 9.286 1.00 0.00 O ATOM 1928 CB SER A 117 11.574 13.175 7.413 1.00 0.00 C ATOM 1929 OG SER A 117 12.977 12.968 7.504 1.00 0.00 O ATOM 0 H SER A 117 11.397 10.769 8.216 1.00 0.00 H new ATOM 0 HA SER A 117 11.184 13.382 9.522 1.00 0.00 H new ATOM 0 HB2 SER A 117 11.174 12.615 6.568 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.369 14.229 7.223 1.00 0.00 H new ATOM 0 HG SER A 117 13.202 12.085 7.143 1.00 0.00 H new ATOM 1935 N GLY A 118 8.791 12.141 7.595 1.00 0.00 N ATOM 1936 CA GLY A 118 7.375 12.268 7.307 1.00 0.00 C ATOM 1937 C GLY A 118 6.548 11.181 7.959 1.00 0.00 C ATOM 1938 O GLY A 118 5.347 11.067 7.712 1.00 0.00 O ATOM 0 H GLY A 118 9.286 11.461 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 118 7.024 13.241 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.223 12.237 6.228 1.00 0.00 H new ATOM 1942 N GLY A 119 7.194 10.375 8.785 1.00 0.00 N ATOM 1943 CA GLY A 119 6.497 9.313 9.475 1.00 0.00 C ATOM 1944 C GLY A 119 6.304 8.087 8.606 1.00 0.00 C ATOM 1945 O GLY A 119 6.916 7.962 7.541 1.00 0.00 O ATOM 0 H GLY A 119 8.191 10.438 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.056 9.037 10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.524 9.676 9.807 1.00 0.00 H new ATOM 1949 N LEU A 120 5.441 7.190 9.059 1.00 0.00 N ATOM 1950 CA LEU A 120 5.180 5.937 8.359 1.00 0.00 C ATOM 1951 C LEU A 120 4.601 6.168 6.953 1.00 0.00 C ATOM 1952 O LEU A 120 5.095 5.584 5.987 1.00 0.00 O ATOM 1953 CB LEU A 120 4.239 5.061 9.193 1.00 0.00 C ATOM 1954 CG LEU A 120 3.953 3.668 8.623 1.00 0.00 C ATOM 1955 CD1 LEU A 120 5.231 2.848 8.535 1.00 0.00 C ATOM 1956 CD2 LEU A 120 2.920 2.953 9.478 1.00 0.00 C ATOM 0 H LEU A 120 4.903 7.307 9.918 1.00 0.00 H new ATOM 0 HA LEU A 120 6.133 5.423 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.666 4.946 10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.292 5.587 9.312 1.00 0.00 H new ATOM 0 HG LEU A 120 3.554 3.783 7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.004 1.863 8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.944 3.354 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.662 2.739 9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.725 1.964 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.297 2.851 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.995 3.530 9.490 1.00 0.00 H new ATOM 1968 N PRO A 121 3.552 7.016 6.801 1.00 0.00 N ATOM 1969 CA PRO A 121 2.922 7.263 5.496 1.00 0.00 C ATOM 1970 C PRO A 121 3.912 7.716 4.422 1.00 0.00 C ATOM 1971 O PRO A 121 3.769 7.353 3.253 1.00 0.00 O ATOM 1972 CB PRO A 121 1.903 8.378 5.777 1.00 0.00 C ATOM 1973 CG PRO A 121 2.272 8.926 7.110 1.00 0.00 C ATOM 1974 CD PRO A 121 2.883 7.784 7.863 1.00 0.00 C ATOM 0 HA PRO A 121 2.480 6.348 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.945 9.151 5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.885 7.988 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 121 2.976 9.752 7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.396 9.314 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.589 8.129 8.619 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.129 7.190 8.379 1.00 0.00 H new ATOM 1982 N ALA A 122 4.916 8.493 4.823 1.00 0.00 N ATOM 1983 CA ALA A 122 5.903 9.016 3.883 1.00 0.00 C ATOM 1984 C ALA A 122 6.709 7.887 3.247 1.00 0.00 C ATOM 1985 O ALA A 122 7.077 7.954 2.076 1.00 0.00 O ATOM 1986 CB ALA A 122 6.826 10.006 4.575 1.00 0.00 C ATOM 0 H ALA A 122 5.067 8.774 5.792 1.00 0.00 H new ATOM 0 HA ALA A 122 5.368 9.536 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.555 10.385 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.239 10.836 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.346 9.508 5.393 1.00 0.00 H new ATOM 1992 N LEU A 123 6.972 6.849 4.027 1.00 0.00 N ATOM 1993 CA LEU A 123 7.690 5.679 3.541 1.00 0.00 C ATOM 1994 C LEU A 123 6.841 4.937 2.511 1.00 0.00 C ATOM 1995 O LEU A 123 7.344 4.447 1.492 1.00 0.00 O ATOM 1996 CB LEU A 123 8.029 4.758 4.720 1.00 0.00 C ATOM 1997 CG LEU A 123 8.732 3.451 4.363 1.00 0.00 C ATOM 1998 CD1 LEU A 123 10.080 3.723 3.721 1.00 0.00 C ATOM 1999 CD2 LEU A 123 8.894 2.587 5.602 1.00 0.00 C ATOM 0 H LEU A 123 6.696 6.793 5.007 1.00 0.00 H new ATOM 0 HA LEU A 123 8.617 5.995 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.660 5.309 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 123 7.105 4.519 5.247 1.00 0.00 H new ATOM 0 HG LEU A 123 8.117 2.913 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.563 2.777 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.939 4.306 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.708 4.281 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.397 1.658 5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.489 3.121 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.913 2.361 6.019 1.00 0.00 H new ATOM 2011 N VAL A 124 5.542 4.890 2.779 1.00 0.00 N ATOM 2012 CA VAL A 124 4.600 4.204 1.909 1.00 0.00 C ATOM 2013 C VAL A 124 4.555 4.848 0.529 1.00 0.00 C ATOM 2014 O VAL A 124 4.718 4.170 -0.485 1.00 0.00 O ATOM 2015 CB VAL A 124 3.177 4.195 2.504 1.00 0.00 C ATOM 2016 CG1 VAL A 124 2.214 3.485 1.565 1.00 0.00 C ATOM 2017 CG2 VAL A 124 3.173 3.537 3.877 1.00 0.00 C ATOM 0 H VAL A 124 5.116 5.323 3.599 1.00 0.00 H new ATOM 0 HA VAL A 124 4.952 3.176 1.819 1.00 0.00 H new ATOM 0 HB VAL A 124 2.846 5.227 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.214 3.487 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.194 4.002 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 124 2.543 2.456 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.160 3.541 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.525 2.509 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.832 4.089 4.547 1.00 0.00 H new ATOM 2027 N ASP A 125 4.352 6.162 0.484 1.00 0.00 N ATOM 2028 CA ASP A 125 4.218 6.846 -0.798 1.00 0.00 C ATOM 2029 C ASP A 125 5.544 6.865 -1.543 1.00 0.00 C ATOM 2030 O ASP A 125 5.562 6.940 -2.766 1.00 0.00 O ATOM 2031 CB ASP A 125 3.666 8.272 -0.644 1.00 0.00 C ATOM 2032 CG ASP A 125 4.633 9.245 0.001 1.00 0.00 C ATOM 2033 OD1 ASP A 125 5.567 9.707 -0.681 1.00 0.00 O ATOM 2034 OD2 ASP A 125 4.435 9.582 1.183 1.00 0.00 O ATOM 0 H ASP A 125 4.278 6.765 1.304 1.00 0.00 H new ATOM 0 HA ASP A 125 3.493 6.281 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.389 8.651 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 125 2.754 8.234 -0.048 1.00 0.00 H new ATOM 2039 N ALA A 126 6.646 6.776 -0.810 1.00 0.00 N ATOM 2040 CA ALA A 126 7.962 6.703 -1.431 1.00 0.00 C ATOM 2041 C ALA A 126 8.071 5.453 -2.303 1.00 0.00 C ATOM 2042 O ALA A 126 8.551 5.510 -3.436 1.00 0.00 O ATOM 2043 CB ALA A 126 9.051 6.720 -0.371 1.00 0.00 C ATOM 0 H ALA A 126 6.655 6.753 0.210 1.00 0.00 H new ATOM 0 HA ALA A 126 8.095 7.576 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 126 10.028 6.665 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.982 7.642 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 126 8.925 5.865 0.294 1.00 0.00 H new ATOM 2049 N LEU A 127 7.599 4.331 -1.772 1.00 0.00 N ATOM 2050 CA LEU A 127 7.611 3.070 -2.507 1.00 0.00 C ATOM 2051 C LEU A 127 6.505 3.030 -3.565 1.00 0.00 C ATOM 2052 O LEU A 127 6.749 2.701 -4.723 1.00 0.00 O ATOM 2053 CB LEU A 127 7.439 1.895 -1.538 1.00 0.00 C ATOM 2054 CG LEU A 127 8.564 1.723 -0.515 1.00 0.00 C ATOM 2055 CD1 LEU A 127 8.233 0.599 0.455 1.00 0.00 C ATOM 2056 CD2 LEU A 127 9.886 1.443 -1.215 1.00 0.00 C ATOM 0 H LEU A 127 7.203 4.268 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 127 8.572 2.989 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 127 6.499 2.022 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 127 7.354 0.976 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 127 8.660 2.652 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.043 0.490 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.308 0.834 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.110 -0.333 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.674 1.324 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.800 0.529 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.132 2.276 -1.874 1.00 0.00 H new ATOM 2068 N VAL A 128 5.293 3.393 -3.161 1.00 0.00 N ATOM 2069 CA VAL A 128 4.114 3.225 -4.009 1.00 0.00 C ATOM 2070 C VAL A 128 4.072 4.218 -5.181 1.00 0.00 C ATOM 2071 O VAL A 128 3.518 3.909 -6.239 1.00 0.00 O ATOM 2072 CB VAL A 128 2.811 3.350 -3.179 1.00 0.00 C ATOM 2073 CG1 VAL A 128 1.575 3.229 -4.062 1.00 0.00 C ATOM 2074 CG2 VAL A 128 2.775 2.296 -2.082 1.00 0.00 C ATOM 0 H VAL A 128 5.099 3.807 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 128 4.187 2.222 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 128 2.804 4.339 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 128 0.679 3.321 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 128 1.584 4.020 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.576 2.259 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.853 2.398 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.815 1.303 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.630 2.430 -1.420 1.00 0.00 H new ATOM 2084 N ASP A 129 4.651 5.399 -5.010 1.00 0.00 N ATOM 2085 CA ASP A 129 4.550 6.435 -6.039 1.00 0.00 C ATOM 2086 C ASP A 129 5.509 6.170 -7.196 1.00 0.00 C ATOM 2087 O ASP A 129 5.261 6.603 -8.317 1.00 0.00 O ATOM 2088 CB ASP A 129 4.821 7.818 -5.450 1.00 0.00 C ATOM 2089 CG ASP A 129 4.459 8.938 -6.405 1.00 0.00 C ATOM 2090 OD1 ASP A 129 3.286 9.374 -6.390 1.00 0.00 O ATOM 2091 OD2 ASP A 129 5.338 9.386 -7.167 1.00 0.00 O ATOM 0 H ASP A 129 5.188 5.665 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 129 3.531 6.407 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.252 7.934 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.876 7.897 -5.186 1.00 0.00 H new ATOM 2096 N SER A 130 6.593 5.451 -6.925 1.00 0.00 N ATOM 2097 CA SER A 130 7.597 5.174 -7.946 1.00 0.00 C ATOM 2098 C SER A 130 6.981 4.403 -9.114 1.00 0.00 C ATOM 2099 O SER A 130 6.372 3.346 -8.930 1.00 0.00 O ATOM 2100 CB SER A 130 8.767 4.381 -7.349 1.00 0.00 C ATOM 2101 OG SER A 130 9.817 4.221 -8.293 1.00 0.00 O ATOM 0 H SER A 130 6.799 5.050 -6.010 1.00 0.00 H new ATOM 0 HA SER A 130 7.974 6.126 -8.319 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.145 4.896 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.416 3.402 -7.022 1.00 0.00 H new ATOM 0 HG SER A 130 10.549 3.714 -7.885 1.00 0.00 H new ATOM 2107 N GLN A 131 7.152 4.934 -10.321 1.00 0.00 N ATOM 2108 CA GLN A 131 6.568 4.333 -11.514 1.00 0.00 C ATOM 2109 C GLN A 131 7.251 3.010 -11.848 1.00 0.00 C ATOM 2110 O GLN A 131 6.684 2.167 -12.544 1.00 0.00 O ATOM 2111 CB GLN A 131 6.663 5.290 -12.705 1.00 0.00 C ATOM 2112 CG GLN A 131 5.314 5.812 -13.195 1.00 0.00 C ATOM 2113 CD GLN A 131 4.727 6.921 -12.332 1.00 0.00 C ATOM 2114 OE1 GLN A 131 5.026 6.915 -11.044 1.00 0.00 O flip ATOM 2115 NE2 GLN A 131 3.999 7.781 -12.828 1.00 0.00 N flip ATOM 0 H GLN A 131 7.692 5.781 -10.498 1.00 0.00 H new ATOM 0 HA GLN A 131 5.516 4.136 -11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.289 6.138 -12.427 1.00 0.00 H new ATOM 0 HB3 GLN A 131 7.164 4.780 -13.528 1.00 0.00 H new ATOM 0 HG2 GLN A 131 5.428 6.181 -14.214 1.00 0.00 H new ATOM 0 HG3 GLN A 131 4.607 4.983 -13.233 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.788 7.757 -13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 131 3.607 8.518 -12.241 1.00 0.00 H new ATOM 2124 N GLU A 132 8.467 2.835 -11.341 1.00 0.00 N ATOM 2125 CA GLU A 132 9.194 1.580 -11.504 1.00 0.00 C ATOM 2126 C GLU A 132 8.396 0.435 -10.902 1.00 0.00 C ATOM 2127 O GLU A 132 8.176 -0.597 -11.539 1.00 0.00 O ATOM 2128 CB GLU A 132 10.563 1.659 -10.820 1.00 0.00 C ATOM 2129 CG GLU A 132 11.437 2.788 -11.330 1.00 0.00 C ATOM 2130 CD GLU A 132 11.740 2.670 -12.805 1.00 0.00 C ATOM 2131 OE1 GLU A 132 10.958 3.195 -13.618 1.00 0.00 O ATOM 2132 OE2 GLU A 132 12.772 2.062 -13.156 1.00 0.00 O ATOM 0 H GLU A 132 8.971 3.547 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 132 9.339 1.403 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.416 1.782 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.086 0.714 -10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 132 10.941 3.740 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 132 12.373 2.799 -10.771 1.00 0.00 H new ATOM 2139 N TYR A 133 7.940 0.643 -9.673 1.00 0.00 N ATOM 2140 CA TYR A 133 7.200 -0.374 -8.946 1.00 0.00 C ATOM 2141 C TYR A 133 5.751 -0.413 -9.412 1.00 0.00 C ATOM 2142 O TYR A 133 5.088 -1.442 -9.317 1.00 0.00 O ATOM 2143 CB TYR A 133 7.277 -0.109 -7.439 1.00 0.00 C ATOM 2144 CG TYR A 133 8.691 0.078 -6.925 1.00 0.00 C ATOM 2145 CD1 TYR A 133 9.759 -0.597 -7.503 1.00 0.00 C ATOM 2146 CD2 TYR A 133 8.958 0.945 -5.871 1.00 0.00 C ATOM 2147 CE1 TYR A 133 11.050 -0.419 -7.045 1.00 0.00 C ATOM 2148 CE2 TYR A 133 10.248 1.132 -5.410 1.00 0.00 C ATOM 2149 CZ TYR A 133 11.291 0.446 -6.001 1.00 0.00 C ATOM 2150 OH TYR A 133 12.580 0.633 -5.554 1.00 0.00 O ATOM 0 H TYR A 133 8.072 1.514 -9.158 1.00 0.00 H new ATOM 0 HA TYR A 133 7.650 -1.346 -9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 133 6.694 0.782 -7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 133 6.814 -0.941 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 133 9.577 -1.273 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 133 8.144 1.481 -5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 133 11.867 -0.956 -7.504 1.00 0.00 H new ATOM 0 HE2 TYR A 133 10.439 1.811 -4.592 1.00 0.00 H new ATOM 0 HH TYR A 133 12.580 1.275 -4.813 1.00 0.00 H new ATOM 2160 N ALA A 134 5.273 0.714 -9.934 1.00 0.00 N ATOM 2161 CA ALA A 134 3.929 0.790 -10.492 1.00 0.00 C ATOM 2162 C ALA A 134 3.754 -0.225 -11.614 1.00 0.00 C ATOM 2163 O ALA A 134 2.750 -0.931 -11.675 1.00 0.00 O ATOM 2164 CB ALA A 134 3.640 2.197 -10.994 1.00 0.00 C ATOM 0 H ALA A 134 5.798 1.587 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 134 3.216 0.552 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.632 2.236 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.720 2.902 -10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.360 2.462 -11.768 1.00 0.00 H new ATOM 2170 N ASP A 135 4.746 -0.304 -12.492 1.00 0.00 N ATOM 2171 CA ASP A 135 4.739 -1.286 -13.572 1.00 0.00 C ATOM 2172 C ASP A 135 5.091 -2.672 -13.041 1.00 0.00 C ATOM 2173 O ASP A 135 4.582 -3.689 -13.524 1.00 0.00 O ATOM 2174 CB ASP A 135 5.732 -0.879 -14.665 1.00 0.00 C ATOM 2175 CG ASP A 135 5.936 -1.968 -15.702 1.00 0.00 C ATOM 2176 OD1 ASP A 135 5.034 -2.174 -16.543 1.00 0.00 O ATOM 2177 OD2 ASP A 135 6.999 -2.628 -15.674 1.00 0.00 O ATOM 0 H ASP A 135 5.567 0.301 -12.478 1.00 0.00 H new ATOM 0 HA ASP A 135 3.736 -1.320 -13.997 1.00 0.00 H new ATOM 0 HB2 ASP A 135 5.374 0.025 -15.158 1.00 0.00 H new ATOM 0 HB3 ASP A 135 6.690 -0.634 -14.207 1.00 0.00 H new ATOM 2182 N TYR A 136 5.953 -2.696 -12.032 1.00 0.00 N ATOM 2183 CA TYR A 136 6.430 -3.938 -11.446 1.00 0.00 C ATOM 2184 C TYR A 136 5.283 -4.750 -10.845 1.00 0.00 C ATOM 2185 O TYR A 136 5.217 -5.967 -11.027 1.00 0.00 O ATOM 2186 CB TYR A 136 7.484 -3.634 -10.379 1.00 0.00 C ATOM 2187 CG TYR A 136 8.111 -4.858 -9.760 1.00 0.00 C ATOM 2188 CD1 TYR A 136 8.853 -5.743 -10.529 1.00 0.00 C ATOM 2189 CD2 TYR A 136 7.973 -5.120 -8.405 1.00 0.00 C ATOM 2190 CE1 TYR A 136 9.439 -6.858 -9.964 1.00 0.00 C ATOM 2191 CE2 TYR A 136 8.555 -6.234 -7.832 1.00 0.00 C ATOM 2192 CZ TYR A 136 9.287 -7.099 -8.617 1.00 0.00 C ATOM 2193 OH TYR A 136 9.873 -8.209 -8.051 1.00 0.00 O ATOM 0 H TYR A 136 6.339 -1.857 -11.599 1.00 0.00 H new ATOM 0 HA TYR A 136 6.879 -4.539 -12.237 1.00 0.00 H new ATOM 0 HB2 TYR A 136 8.269 -3.023 -10.824 1.00 0.00 H new ATOM 0 HB3 TYR A 136 7.025 -3.037 -9.591 1.00 0.00 H new ATOM 0 HD1 TYR A 136 8.974 -5.557 -11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 136 7.401 -4.442 -7.788 1.00 0.00 H new ATOM 0 HE1 TYR A 136 10.014 -7.538 -10.576 1.00 0.00 H new ATOM 0 HE2 TYR A 136 8.437 -6.426 -6.776 1.00 0.00 H new ATOM 0 HH TYR A 136 9.671 -8.233 -7.092 1.00 0.00 H new ATOM 2203 N PHE A 137 4.382 -4.079 -10.136 1.00 0.00 N ATOM 2204 CA PHE A 137 3.250 -4.763 -9.519 1.00 0.00 C ATOM 2205 C PHE A 137 2.020 -4.720 -10.419 1.00 0.00 C ATOM 2206 O PHE A 137 1.315 -5.720 -10.567 1.00 0.00 O ATOM 2207 CB PHE A 137 2.918 -4.140 -8.160 1.00 0.00 C ATOM 2208 CG PHE A 137 4.048 -4.210 -7.176 1.00 0.00 C ATOM 2209 CD1 PHE A 137 4.468 -5.427 -6.668 1.00 0.00 C ATOM 2210 CD2 PHE A 137 4.691 -3.056 -6.760 1.00 0.00 C ATOM 2211 CE1 PHE A 137 5.509 -5.492 -5.764 1.00 0.00 C ATOM 2212 CE2 PHE A 137 5.731 -3.113 -5.856 1.00 0.00 C ATOM 2213 CZ PHE A 137 6.142 -4.333 -5.359 1.00 0.00 C ATOM 0 H PHE A 137 4.411 -3.072 -9.975 1.00 0.00 H new ATOM 0 HA PHE A 137 3.536 -5.805 -9.374 1.00 0.00 H new ATOM 0 HB2 PHE A 137 2.639 -3.097 -8.306 1.00 0.00 H new ATOM 0 HB3 PHE A 137 2.049 -4.647 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 137 3.976 -6.336 -6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 137 4.374 -2.099 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 137 5.828 -6.447 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 137 6.222 -2.205 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 137 6.958 -4.382 -4.654 1.00 0.00 H new ATOM 2223 N GLY A 138 1.782 -3.576 -11.042 1.00 0.00 N ATOM 2224 CA GLY A 138 0.588 -3.402 -11.842 1.00 0.00 C ATOM 2225 C GLY A 138 -0.492 -2.678 -11.067 1.00 0.00 C ATOM 2226 O GLY A 138 -0.789 -3.037 -9.930 1.00 0.00 O ATOM 0 H GLY A 138 2.397 -2.763 -11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 138 0.831 -2.840 -12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 138 0.218 -4.376 -12.163 1.00 0.00 H new ATOM 2230 N GLU A 139 -1.083 -1.658 -11.677 1.00 0.00 N ATOM 2231 CA GLU A 139 -2.079 -0.833 -10.996 1.00 0.00 C ATOM 2232 C GLU A 139 -3.361 -1.604 -10.692 1.00 0.00 C ATOM 2233 O GLU A 139 -4.107 -1.244 -9.779 1.00 0.00 O ATOM 2234 CB GLU A 139 -2.415 0.403 -11.831 1.00 0.00 C ATOM 2235 CG GLU A 139 -1.266 1.387 -11.960 1.00 0.00 C ATOM 2236 CD GLU A 139 -1.719 2.740 -12.467 1.00 0.00 C ATOM 2237 OE1 GLU A 139 -2.187 3.556 -11.646 1.00 0.00 O ATOM 2238 OE2 GLU A 139 -1.619 2.990 -13.685 1.00 0.00 O ATOM 0 H GLU A 139 -0.892 -1.381 -12.640 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.638 -0.528 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.722 0.084 -12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.268 0.912 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.784 1.508 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.517 0.980 -12.639 1.00 0.00 H new ATOM 2245 N GLU A 140 -3.614 -2.660 -11.454 1.00 0.00 N ATOM 2246 CA GLU A 140 -4.831 -3.446 -11.283 1.00 0.00 C ATOM 2247 C GLU A 140 -4.648 -4.527 -10.222 1.00 0.00 C ATOM 2248 O GLU A 140 -5.612 -4.951 -9.587 1.00 0.00 O ATOM 2249 CB GLU A 140 -5.246 -4.096 -12.609 1.00 0.00 C ATOM 2250 CG GLU A 140 -4.230 -5.097 -13.148 1.00 0.00 C ATOM 2251 CD GLU A 140 -4.763 -5.907 -14.313 1.00 0.00 C ATOM 2252 OE1 GLU A 140 -5.441 -6.925 -14.076 1.00 0.00 O ATOM 2253 OE2 GLU A 140 -4.494 -5.538 -15.475 1.00 0.00 O ATOM 0 H GLU A 140 -2.996 -2.992 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.616 -2.765 -10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.202 -4.601 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.402 -3.315 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.333 -4.563 -13.463 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.933 -5.774 -12.347 1.00 0.00 H new ATOM 2260 N THR A 141 -3.411 -4.954 -10.020 1.00 0.00 N ATOM 2261 CA THR A 141 -3.127 -6.099 -9.173 1.00 0.00 C ATOM 2262 C THR A 141 -2.876 -5.678 -7.726 1.00 0.00 C ATOM 2263 O THR A 141 -2.317 -4.613 -7.463 1.00 0.00 O ATOM 2264 CB THR A 141 -1.907 -6.871 -9.717 1.00 0.00 C ATOM 2265 OG1 THR A 141 -2.112 -7.170 -11.107 1.00 0.00 O ATOM 2266 CG2 THR A 141 -1.683 -8.166 -8.953 1.00 0.00 C ATOM 0 H THR A 141 -2.585 -4.522 -10.434 1.00 0.00 H new ATOM 0 HA THR A 141 -4.002 -6.749 -9.186 1.00 0.00 H new ATOM 0 HB THR A 141 -1.025 -6.243 -9.591 1.00 0.00 H new ATOM 0 HG1 THR A 141 -1.337 -7.659 -11.454 1.00 0.00 H new ATOM 0 HG21 THR A 141 -0.816 -8.685 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 141 -1.509 -7.942 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 141 -2.564 -8.801 -9.048 1.00 0.00 H new ATOM 2274 N VAL A 142 -3.322 -6.512 -6.795 1.00 0.00 N ATOM 2275 CA VAL A 142 -3.067 -6.299 -5.382 1.00 0.00 C ATOM 2276 C VAL A 142 -1.646 -6.747 -5.050 1.00 0.00 C ATOM 2277 O VAL A 142 -1.289 -7.894 -5.307 1.00 0.00 O ATOM 2278 CB VAL A 142 -4.070 -7.085 -4.506 1.00 0.00 C ATOM 2279 CG1 VAL A 142 -3.858 -6.791 -3.028 1.00 0.00 C ATOM 2280 CG2 VAL A 142 -5.500 -6.769 -4.912 1.00 0.00 C ATOM 0 H VAL A 142 -3.867 -7.349 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.186 -5.237 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.891 -8.148 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -4.578 -7.358 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.847 -7.079 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.998 -5.726 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -6.190 -7.332 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.686 -5.702 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -5.652 -7.046 -5.955 1.00 0.00 H new ATOM 2290 N PRO A 143 -0.811 -5.841 -4.509 1.00 0.00 N ATOM 2291 CA PRO A 143 0.577 -6.160 -4.144 1.00 0.00 C ATOM 2292 C PRO A 143 0.662 -7.334 -3.172 1.00 0.00 C ATOM 2293 O PRO A 143 0.174 -7.258 -2.042 1.00 0.00 O ATOM 2294 CB PRO A 143 1.079 -4.872 -3.478 1.00 0.00 C ATOM 2295 CG PRO A 143 0.196 -3.800 -4.014 1.00 0.00 C ATOM 2296 CD PRO A 143 -1.148 -4.438 -4.219 1.00 0.00 C ATOM 0 HA PRO A 143 1.167 -6.462 -5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.011 -4.935 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.124 -4.682 -3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.129 -2.964 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.587 -3.404 -4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.776 -4.349 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.692 -3.976 -5.042 1.00 0.00 H new